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 1bxr_1_C DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPSYVL GGRAMEIVYD EADLRRYFQT AVSVSNDAPV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.257 176.300 -0.072 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.037 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 2 P HA 0.346 nan 4.420 nan 0.000 0.333 2 P C -1.252 175.776 177.300 -0.455 0.000 1.370 2 P CA -0.416 62.529 63.100 -0.258 0.000 0.851 2 P CB -0.017 31.566 31.700 -0.196 0.000 2.082 3 K N 0.307 120.256 120.400 -0.751 0.000 2.402 3 K HA 0.014 4.334 4.320 0.001 0.000 0.265 3 K C 0.051 176.559 176.600 -0.152 0.000 0.978 3 K CA 0.175 56.126 56.287 -0.560 0.000 0.913 3 K CB 0.399 32.664 32.500 -0.391 0.000 0.954 3 K HN 0.111 nan 8.250 nan 0.000 0.511 4 R N 0.812 121.330 120.500 0.030 0.000 2.357 4 R HA 0.060 4.401 4.340 0.001 0.000 0.296 4 R C 0.599 176.956 176.300 0.095 0.000 1.052 4 R CA -0.160 55.978 56.100 0.064 0.000 0.988 4 R CB 1.232 31.578 30.300 0.077 0.000 1.025 4 R HN 0.820 nan 8.270 nan 0.000 0.469 5 T N 0.737 115.317 114.554 0.044 0.000 2.983 5 T HA -0.091 4.259 4.350 0.001 0.000 0.250 5 T C 0.888 175.618 174.700 0.050 0.000 1.037 5 T CA 1.035 63.155 62.100 0.033 0.000 1.142 5 T CB 0.036 68.908 68.868 0.008 0.000 0.876 5 T HN 0.725 nan 8.240 nan 0.000 0.455 6 D N 0.555 120.985 120.400 0.050 0.000 2.378 6 D HA 0.014 4.654 4.640 0.001 0.000 0.227 6 D C 0.371 176.713 176.300 0.071 0.000 1.012 6 D CA 0.256 54.285 54.000 0.049 0.000 0.905 6 D CB -0.206 40.616 40.800 0.037 0.000 0.895 6 D HN 0.393 nan 8.370 nan 0.000 0.532 7 I N -0.047 120.589 120.570 0.111 0.000 2.418 7 I HA 0.229 4.399 4.170 0.001 0.000 0.287 7 I C 0.748 177.013 176.117 0.246 0.000 1.008 7 I CA -0.657 60.733 61.300 0.151 0.000 1.104 7 I CB 2.230 40.305 38.000 0.126 0.000 1.264 7 I HN -0.329 nan 8.210 nan 0.000 0.438 8 K N 2.297 122.815 120.400 0.197 0.000 2.403 8 K HA 0.156 4.476 4.320 0.001 0.000 0.199 8 K C 0.353 177.091 176.600 0.230 0.000 1.199 8 K CA 0.229 56.629 56.287 0.189 0.000 0.924 8 K CB 0.736 33.289 32.500 0.088 0.000 1.137 8 K HN 0.633 nan 8.250 nan 0.000 0.510 9 S N 0.743 116.541 115.700 0.164 0.000 2.454 9 S HA 0.644 5.115 4.470 0.001 0.000 0.306 9 S C -0.429 174.227 174.600 0.094 0.000 1.100 9 S CA -0.814 57.462 58.200 0.127 0.000 1.087 9 S CB 0.933 64.186 63.200 0.089 0.000 1.019 9 S HN 0.093 nan 8.310 nan 0.000 0.480 10 I N 3.006 123.622 120.570 0.076 0.000 2.533 10 I HA 0.406 4.576 4.170 0.001 0.000 0.290 10 I C -1.166 174.967 176.117 0.028 0.000 1.056 10 I CA -0.923 60.393 61.300 0.026 0.000 1.057 10 I CB 2.094 40.074 38.000 -0.033 0.000 1.240 10 I HN 0.607 nan 8.210 nan 0.000 0.423 11 L N 7.806 129.038 121.223 0.015 0.000 2.264 11 L HA 0.589 4.930 4.340 0.001 0.000 0.289 11 L C -0.776 176.097 176.870 0.006 0.000 1.044 11 L CA 0.100 54.948 54.840 0.014 0.000 0.807 11 L CB 0.636 42.693 42.059 -0.004 0.000 1.192 11 L HN 0.390 nan 8.230 nan 0.000 0.425 12 I N 6.223 126.802 120.570 0.015 0.000 2.354 12 I HA 0.271 4.441 4.170 0.001 0.000 0.292 12 I C -0.518 175.605 176.117 0.009 0.000 0.989 12 I CA -0.639 60.667 61.300 0.009 0.000 1.188 12 I CB 1.337 39.345 38.000 0.013 0.000 1.342 12 I HN 0.454 nan 8.210 nan 0.000 0.457 13 L N 6.370 127.592 121.223 -0.002 0.000 2.295 13 L HA 0.385 4.725 4.340 0.001 0.000 0.288 13 L C 1.013 177.877 176.870 -0.011 0.000 1.079 13 L CA -0.283 54.551 54.840 -0.010 0.000 0.830 13 L CB 0.487 42.534 42.059 -0.020 0.000 1.200 13 L HN 0.715 nan 8.230 nan 0.000 0.438 14 G N 1.750 110.550 108.800 -0.001 0.000 2.616 14 G HA2 0.362 4.322 3.960 0.001 0.000 0.268 14 G HA3 0.362 4.322 3.960 0.001 0.000 0.268 14 G C 0.792 175.676 174.900 -0.026 0.000 1.213 14 G CA 0.161 45.264 45.100 0.006 0.000 0.926 14 G HN 0.745 nan 8.290 nan 0.000 0.523 15 A N -1.177 121.634 122.820 -0.017 0.000 2.132 15 A HA 0.555 4.876 4.320 0.001 0.000 0.213 15 A C 1.598 179.157 177.584 -0.042 0.000 1.154 15 A CA 1.510 53.503 52.037 -0.073 0.000 0.753 15 A CB -0.835 18.119 19.000 -0.076 0.000 0.826 15 A HN 2.536 nan 8.150 nan 0.000 0.469 16 G N -0.727 108.067 108.800 -0.011 0.000 2.615 16 G HA2 -0.090 3.871 3.960 0.001 0.000 0.218 16 G HA3 -0.090 3.871 3.960 0.001 0.000 0.218 16 G C -2.982 171.916 174.900 -0.004 0.000 1.339 16 G CA -0.422 44.669 45.100 -0.014 0.000 0.884 16 G HN 0.362 nan 8.290 nan 0.000 0.559 17 P HA 0.398 nan 4.420 nan 0.000 0.269 17 P C 0.271 177.566 177.300 -0.009 0.000 1.215 17 P CA -0.274 62.812 63.100 -0.023 0.000 0.780 17 P CB 0.323 31.997 31.700 -0.044 0.000 0.898 18 I N 2.444 123.009 120.570 -0.007 0.000 2.556 18 I HA 0.116 4.286 4.170 0.001 0.000 0.284 18 I C 0.890 176.997 176.117 -0.017 0.000 1.114 18 I CA -0.200 61.104 61.300 0.006 0.000 1.418 18 I CB -0.054 37.949 38.000 0.006 0.000 1.394 18 I HN 0.189 nan 8.210 nan 0.000 0.552 19 V N 4.789 124.695 119.914 -0.014 0.000 3.141 19 V HA 0.579 4.700 4.120 0.001 0.000 0.312 19 V C 0.025 176.086 176.094 -0.054 0.000 1.157 19 V CA -1.216 61.057 62.300 -0.045 0.000 1.041 19 V CB 2.069 33.858 31.823 -0.056 0.000 1.071 19 V HN 0.440 nan 8.190 nan 0.000 0.441 20 I N 2.402 122.913 120.570 -0.098 0.000 2.668 20 I HA 0.418 4.589 4.170 0.001 0.000 0.285 20 I C 1.527 177.575 176.117 -0.114 0.000 1.168 20 I CA 1.839 63.065 61.300 -0.123 0.000 1.424 20 I CB 0.430 38.314 38.000 -0.193 0.000 1.377 20 I HN 1.254 nan 8.210 nan 0.000 0.560 21 G N 4.857 113.601 108.800 -0.094 0.000 2.195 21 G HA2 -0.290 3.670 3.960 0.001 0.000 0.246 21 G HA3 -0.290 3.670 3.960 0.001 0.000 0.246 21 G C 0.309 175.233 174.900 0.039 0.000 0.984 21 G CA 0.166 45.222 45.100 -0.074 0.000 0.633 21 G HN 0.632 nan 8.290 nan 0.000 0.525 22 Q N -0.020 119.826 119.800 0.075 0.000 3.662 22 Q HA 0.680 5.021 4.340 0.001 0.000 0.237 22 Q C 0.294 176.421 176.000 0.211 0.000 0.895 22 Q CA 0.434 56.367 55.803 0.216 0.000 0.767 22 Q CB 0.402 29.184 28.738 0.074 0.000 1.469 22 Q HN 0.881 nan 8.270 nan 0.000 0.424 23 A N 0.016 122.947 122.820 0.186 0.000 3.068 23 A HA 0.340 4.660 4.320 0.001 0.000 0.229 23 A C 1.170 178.807 177.584 0.088 0.000 1.561 23 A CA -0.214 51.878 52.037 0.091 0.000 0.876 23 A CB -0.294 18.710 19.000 0.006 0.000 1.700 23 A HN 0.788 nan 8.150 nan 0.000 0.535 24 C N 0.871 120.182 119.300 0.019 0.000 2.403 24 C HA -0.114 4.347 4.460 0.001 0.000 0.282 24 C C 2.560 177.537 174.990 -0.022 0.000 1.297 24 C CA 1.170 60.200 59.018 0.020 0.000 1.785 24 C CB -1.448 26.302 27.740 0.017 0.000 1.963 24 C HN 0.867 nan 8.230 nan 0.000 0.507 25 E N 1.344 121.437 120.200 -0.178 0.000 2.273 25 E HA -0.240 4.110 4.350 0.001 0.000 0.198 25 E C 1.492 177.879 176.600 -0.355 0.000 1.002 25 E CA 1.668 57.891 56.400 -0.295 0.000 0.828 25 E CB -0.753 28.663 29.700 -0.473 0.000 0.747 25 E HN 0.667 nan 8.360 nan 0.000 0.491 26 F N 1.814 121.818 119.950 0.091 0.000 2.293 26 F HA 0.031 4.558 4.527 0.000 0.000 0.297 26 F C 2.206 178.044 175.800 0.063 0.000 1.089 26 F CA 1.111 59.150 58.000 0.065 0.000 1.377 26 F CB -0.512 38.509 39.000 0.035 0.000 1.051 26 F HN 0.077 nan 8.300 nan 0.000 0.511 27 D N -0.919 119.595 120.400 0.190 0.000 2.277 27 D HA -0.230 4.410 4.640 0.001 0.000 0.208 27 D C 2.068 178.447 176.300 0.131 0.000 0.962 27 D CA 0.732 54.818 54.000 0.144 0.000 0.865 27 D CB -0.327 40.545 40.800 0.120 0.000 0.939 27 D HN 0.351 nan 8.370 nan 0.000 0.510 28 Y N 0.493 120.802 120.300 0.017 0.000 2.163 28 Y HA -0.100 4.451 4.550 0.001 0.000 0.288 28 Y C 2.246 178.152 175.900 0.010 0.000 1.136 28 Y CA 1.857 59.955 58.100 -0.003 0.000 1.147 28 Y CB -0.342 38.102 38.460 -0.027 0.000 0.987 28 Y HN -0.066 nan 8.280 nan 0.000 0.509 29 S N 0.128 115.774 115.700 -0.090 0.000 2.345 29 S HA -0.077 4.393 4.470 0.001 0.000 0.219 29 S C 2.198 176.767 174.600 -0.051 0.000 1.031 29 S CA 1.109 59.245 58.200 -0.107 0.000 0.984 29 S CB -1.092 62.155 63.200 0.078 0.000 0.874 29 S HN 0.717 nan 8.310 nan 0.000 0.451 30 G N 1.306 110.132 108.800 0.044 0.000 2.422 30 G HA2 -0.081 3.880 3.960 0.001 0.000 0.218 30 G HA3 -0.081 3.880 3.960 0.001 0.000 0.218 30 G C 1.506 176.402 174.900 -0.007 0.000 1.146 30 G CA 0.951 46.073 45.100 0.038 0.000 0.769 30 G HN 0.566 nan 8.290 nan 0.000 0.547 31 A N 0.061 122.865 122.820 -0.026 0.000 1.969 31 A HA -0.005 4.316 4.320 0.001 0.000 0.218 31 A C 2.321 179.847 177.584 -0.096 0.000 1.169 31 A CA 1.636 53.649 52.037 -0.041 0.000 0.635 31 A CB -0.270 18.716 19.000 -0.023 0.000 0.810 31 A HN 0.432 nan 8.150 nan 0.000 0.445 32 Q N -0.764 118.923 119.800 -0.189 0.000 2.123 32 Q HA -0.057 4.284 4.340 0.001 0.000 0.199 32 Q C 2.432 178.366 176.000 -0.111 0.000 0.966 32 Q CA 1.166 56.845 55.803 -0.207 0.000 0.845 32 Q CB -0.296 28.234 28.738 -0.347 0.000 0.907 32 Q HN 0.679 nan 8.270 nan 0.000 0.439 33 A N 0.423 123.195 122.820 -0.081 0.000 1.898 33 A HA -0.169 4.151 4.320 0.001 0.000 0.216 33 A C 2.384 179.954 177.584 -0.024 0.000 1.181 33 A CA 1.145 53.157 52.037 -0.041 0.000 0.620 33 A CB -0.876 18.111 19.000 -0.023 0.000 0.819 33 A HN 0.443 nan 8.150 nan 0.000 0.442 34 C N -0.713 118.577 119.300 -0.018 0.000 2.413 34 C HA -0.094 4.367 4.460 0.001 0.000 0.277 34 C C 2.716 177.709 174.990 0.005 0.000 1.228 34 C CA 1.481 60.500 59.018 0.002 0.000 1.731 34 C CB -1.013 26.731 27.740 0.006 0.000 2.042 34 C HN 0.760 nan 8.230 nan 0.000 0.468 35 K N 1.183 121.575 120.400 -0.014 0.000 2.032 35 K HA -0.156 4.164 4.320 0.001 0.000 0.209 35 K C 2.119 178.718 176.600 -0.002 0.000 1.048 35 K CA 1.781 58.060 56.287 -0.012 0.000 0.927 35 K CB -0.399 32.079 32.500 -0.037 0.000 0.712 35 K HN 0.380 nan 8.250 nan 0.000 0.441 36 A N 1.209 124.019 122.820 -0.016 0.000 1.892 36 A HA -0.175 4.145 4.320 0.001 0.000 0.218 36 A C 2.140 179.748 177.584 0.040 0.000 1.188 36 A CA 1.837 53.868 52.037 -0.011 0.000 0.631 36 A CB -0.805 18.176 19.000 -0.031 0.000 0.822 36 A HN 0.372 nan 8.150 nan 0.000 0.447 37 L N -1.864 119.394 121.223 0.058 0.000 2.217 37 L HA -0.071 4.269 4.340 0.001 0.000 0.211 37 L C 2.762 179.776 176.870 0.240 0.000 1.107 37 L CA 1.168 56.096 54.840 0.145 0.000 0.783 37 L CB -0.434 41.641 42.059 0.026 0.000 0.919 37 L HN 0.374 nan 8.230 nan 0.000 0.442 38 R N 0.470 121.046 120.500 0.127 0.000 2.062 38 R HA -0.109 4.232 4.340 0.001 0.000 0.229 38 R C 2.171 178.519 176.300 0.081 0.000 1.128 38 R CA 1.090 57.250 56.100 0.099 0.000 0.960 38 R CB -0.007 30.326 30.300 0.055 0.000 0.855 38 R HN 0.315 nan 8.270 nan 0.000 0.432 39 E N 0.070 120.307 120.200 0.062 0.000 2.233 39 E HA -0.205 4.145 4.350 0.001 0.000 0.199 39 E C 1.132 177.764 176.600 0.053 0.000 1.004 39 E CA 0.975 57.399 56.400 0.039 0.000 0.819 39 E CB 0.107 29.817 29.700 0.017 0.000 0.738 39 E HN 0.308 nan 8.360 nan 0.000 0.478 40 E N -0.801 119.468 120.200 0.114 0.000 2.474 40 E HA 0.082 4.432 4.350 0.001 0.000 0.195 40 E C 0.739 177.330 176.600 -0.013 0.000 1.039 40 E CA 0.445 56.935 56.400 0.150 0.000 0.881 40 E CB 1.103 31.020 29.700 0.363 0.000 0.970 40 E HN 0.303 nan 8.360 nan 0.000 0.486 41 G N 1.464 110.248 108.800 -0.026 0.000 2.303 41 G HA2 -0.266 3.694 3.960 0.001 0.000 0.260 41 G HA3 -0.266 3.694 3.960 0.001 0.000 0.260 41 G C -0.605 174.108 174.900 -0.311 0.000 1.106 41 G CA -0.157 44.851 45.100 -0.153 0.000 0.900 41 G HN 0.150 nan 8.290 nan 0.000 0.495 42 Y N -1.068 119.257 120.300 0.043 0.000 2.468 42 Y HA 0.651 5.202 4.550 0.001 0.000 0.342 42 Y C 0.803 176.723 175.900 0.032 0.000 1.021 42 Y CA -1.184 56.941 58.100 0.041 0.000 1.079 42 Y CB 1.357 39.846 38.460 0.049 0.000 1.226 42 Y HN 0.185 nan 8.280 nan 0.000 0.460 43 R N 2.240 122.865 120.500 0.208 0.000 2.210 43 R HA 0.439 4.779 4.340 0.001 0.000 0.338 43 R C -1.591 174.784 176.300 0.124 0.000 1.062 43 R CA -0.268 55.908 56.100 0.126 0.000 0.902 43 R CB 0.221 30.578 30.300 0.094 0.000 1.050 43 R HN 0.537 nan 8.270 nan 0.000 0.461 44 V N 7.429 127.400 119.914 0.096 0.000 2.364 44 V HA 0.305 4.426 4.120 0.001 0.000 0.272 44 V C 0.185 176.317 176.094 0.062 0.000 1.036 44 V CA -0.505 61.840 62.300 0.074 0.000 0.880 44 V CB 1.165 33.026 31.823 0.064 0.000 0.991 44 V HN 0.619 nan 8.190 nan 0.000 0.460 45 I N 6.754 127.366 120.570 0.071 0.000 2.404 45 I HA 0.670 4.840 4.170 0.001 0.000 0.293 45 I C -0.408 175.765 176.117 0.092 0.000 0.992 45 I CA -0.411 60.949 61.300 0.100 0.000 1.149 45 I CB 1.642 39.709 38.000 0.111 0.000 1.315 45 I HN 0.624 nan 8.210 nan 0.000 0.446 46 L N 5.881 127.176 121.223 0.120 0.000 2.434 46 L HA 0.871 5.211 4.340 0.001 0.000 0.260 46 L C -1.681 175.268 176.870 0.132 0.000 0.983 46 L CA -0.816 54.080 54.840 0.092 0.000 0.820 46 L CB 2.222 44.312 42.059 0.052 0.000 1.361 46 L HN 0.366 nan 8.230 nan 0.000 0.410 47 V N 3.345 123.309 119.914 0.084 0.000 2.409 47 V HA 0.705 4.825 4.120 0.001 0.000 0.291 47 V C -1.356 174.762 176.094 0.040 0.000 1.020 47 V CA 0.045 62.393 62.300 0.079 0.000 0.848 47 V CB 1.475 33.315 31.823 0.028 0.000 0.990 47 V HN 0.945 nan 8.190 nan 0.000 0.430 48 N N 3.352 122.075 118.700 0.038 0.000 2.578 48 N HA 0.230 4.971 4.740 0.001 0.000 0.282 48 N C 0.508 176.025 175.510 0.011 0.000 1.119 48 N CA 0.262 53.324 53.050 0.020 0.000 0.948 48 N CB 2.354 40.856 38.487 0.026 0.000 1.546 48 N HN 0.638 nan 8.380 nan 0.000 0.525 49 S N 1.660 117.358 115.700 -0.003 0.000 2.515 49 S HA -0.036 4.434 4.470 0.001 0.000 0.231 49 S C 0.759 175.350 174.600 -0.016 0.000 0.987 49 S CA 0.150 58.341 58.200 -0.014 0.000 0.936 49 S CB -0.258 62.924 63.200 -0.030 0.000 0.766 49 S HN 0.583 nan 8.310 nan 0.000 0.528 50 N N 3.320 122.014 118.700 -0.010 0.000 2.442 50 N HA 0.241 4.981 4.740 0.001 0.000 0.265 50 N C -1.726 173.778 175.510 -0.010 0.000 1.138 50 N CA -2.223 50.819 53.050 -0.014 0.000 0.956 50 N CB 1.317 39.801 38.487 -0.005 0.000 1.067 50 N HN 0.022 nan 8.380 nan 0.000 0.474 51 P HA 0.071 nan 4.420 nan 0.000 0.230 51 P C 0.207 177.444 177.300 -0.106 0.000 1.168 51 P CA 0.467 63.556 63.100 -0.018 0.000 0.793 51 P CB 0.180 31.926 31.700 0.077 0.000 0.851 52 A N 0.205 122.945 122.820 -0.134 0.000 2.291 52 A HA 0.200 4.521 4.320 0.001 0.000 0.220 52 A C 0.743 178.266 177.584 -0.102 0.000 1.262 52 A CA 0.275 52.159 52.037 -0.255 0.000 0.867 52 A CB -1.370 17.499 19.000 -0.218 0.000 0.888 52 A HN 0.296 nan 8.150 nan 0.000 0.487 53 T N -3.052 111.509 114.554 0.011 0.000 2.859 53 T HA 0.525 4.876 4.350 0.001 0.000 0.281 53 T C 1.006 175.844 174.700 0.230 0.000 1.005 53 T CA -0.730 61.444 62.100 0.124 0.000 1.025 53 T CB 1.063 69.981 68.868 0.082 0.000 0.977 53 T HN -0.009 nan 8.240 nan 0.000 0.458 54 I N 2.333 123.042 120.570 0.232 0.000 2.394 54 I HA -0.149 4.021 4.170 0.001 0.000 0.251 54 I C 2.559 178.749 176.117 0.121 0.000 1.136 54 I CA 1.548 62.949 61.300 0.169 0.000 1.425 54 I CB -0.933 37.114 38.000 0.078 0.000 1.079 54 I HN 0.870 nan 8.210 nan 0.000 0.425 55 M N 0.663 120.319 119.600 0.094 0.000 2.267 55 M HA -0.157 4.324 4.480 0.001 0.000 0.263 55 M C 1.666 178.000 176.300 0.056 0.000 1.063 55 M CA 2.232 57.570 55.300 0.062 0.000 1.090 55 M CB -1.090 31.540 32.600 0.050 0.000 1.392 55 M HN 0.256 nan 8.290 nan 0.000 0.422 56 T N -2.255 112.341 114.554 0.071 0.000 3.219 56 T HA 0.147 4.498 4.350 0.001 0.000 0.249 56 T C -0.119 174.614 174.700 0.055 0.000 1.099 56 T CA -0.471 61.655 62.100 0.043 0.000 0.988 56 T CB -0.626 68.255 68.868 0.022 0.000 0.999 56 T HN 0.269 nan 8.240 nan 0.000 0.550 57 D N 3.608 124.069 120.400 0.101 0.000 2.424 57 D HA 0.164 4.805 4.640 0.001 0.000 0.244 57 D C -1.308 175.020 176.300 0.047 0.000 1.134 57 D CA -2.097 51.976 54.000 0.123 0.000 0.881 57 D CB 1.599 42.494 40.800 0.159 0.000 1.191 57 D HN 0.099 nan 8.370 nan 0.000 0.445 58 P HA -0.185 nan 4.420 nan 0.000 0.216 58 P C 1.117 178.412 177.300 -0.008 0.000 1.150 58 P CA 1.195 64.277 63.100 -0.030 0.000 0.843 58 P CB 0.133 31.820 31.700 -0.022 0.000 0.787 59 E N -1.061 119.151 120.200 0.021 0.000 2.418 59 E HA -0.098 4.253 4.350 0.001 0.000 0.197 59 E C 1.420 178.028 176.600 0.012 0.000 1.026 59 E CA 0.848 57.257 56.400 0.015 0.000 0.862 59 E CB -0.568 29.141 29.700 0.015 0.000 0.799 59 E HN 0.109 nan 8.360 nan 0.000 0.518 60 M N 1.004 120.615 119.600 0.017 0.000 2.419 60 M HA 0.237 4.718 4.480 0.001 0.000 0.264 60 M C 0.941 177.249 176.300 0.014 0.000 1.082 60 M CA 0.380 55.690 55.300 0.017 0.000 1.119 60 M CB -0.143 32.474 32.600 0.028 0.000 1.398 60 M HN 0.215 nan 8.290 nan 0.000 0.453 61 A N -0.990 121.834 122.820 0.006 0.000 2.593 61 A HA 0.493 4.813 4.320 0.001 0.000 0.290 61 A C 0.185 177.766 177.584 -0.005 0.000 1.126 61 A CA -0.667 51.374 52.037 0.008 0.000 0.695 61 A CB 0.665 19.670 19.000 0.009 0.000 1.290 61 A HN 0.208 nan 8.150 nan 0.000 0.414 62 D N 0.296 120.700 120.400 0.007 0.000 2.103 62 D HA 0.163 4.803 4.640 0.001 0.000 0.199 62 D C 0.806 177.089 176.300 -0.029 0.000 0.978 62 D CA 1.951 55.952 54.000 0.002 0.000 0.829 62 D CB 0.137 40.953 40.800 0.027 0.000 0.981 62 D HN 0.697 nan 8.370 nan 0.000 0.464 63 A N 0.928 123.731 122.820 -0.029 0.000 2.410 63 A HA 0.473 4.793 4.320 0.001 0.000 0.289 63 A C -0.627 176.872 177.584 -0.141 0.000 1.200 63 A CA -0.523 51.453 52.037 -0.103 0.000 0.751 63 A CB 1.313 20.311 19.000 -0.003 0.000 1.161 63 A HN -0.132 nan 8.150 nan 0.000 0.459 64 T N 2.604 116.993 114.554 -0.274 0.000 2.758 64 T HA 0.481 4.831 4.350 0.001 0.000 0.285 64 T C -1.155 173.291 174.700 -0.424 0.000 0.981 64 T CA 0.285 62.250 62.100 -0.226 0.000 0.965 64 T CB 0.099 68.873 68.868 -0.157 0.000 0.927 64 T HN 0.393 nan 8.240 nan 0.000 0.448 65 Y N 2.852 123.115 120.300 -0.062 0.000 2.478 65 Y HA 0.430 4.980 4.550 0.001 0.000 0.329 65 Y C 0.526 176.384 175.900 -0.070 0.000 0.967 65 Y CA -1.014 57.043 58.100 -0.072 0.000 1.255 65 Y CB 0.545 38.966 38.460 -0.065 0.000 1.103 65 Y HN 0.559 nan 8.280 nan 0.000 0.497 66 I N 4.956 125.536 120.570 0.015 0.000 2.224 66 I HA 0.172 4.342 4.170 0.001 0.000 0.293 66 I C -0.217 175.908 176.117 0.012 0.000 1.155 66 I CA 0.096 61.396 61.300 -0.001 0.000 1.297 66 I CB -0.182 37.790 38.000 -0.046 0.000 1.487 66 I HN 0.524 nan 8.210 nan 0.000 0.564 67 E N 5.761 125.980 120.200 0.033 0.000 2.369 67 E HA 0.476 4.827 4.350 0.001 0.000 0.270 67 E C -2.557 174.028 176.600 -0.024 0.000 0.909 67 E CA -2.112 54.288 56.400 0.000 0.000 0.775 67 E CB 1.907 31.613 29.700 0.010 0.000 1.270 67 E HN 0.031 nan 8.360 nan 0.000 0.445 68 P HA 0.077 nan 4.420 nan 0.000 0.264 68 P C 0.041 177.327 177.300 -0.022 0.000 1.183 68 P CA 0.410 63.482 63.100 -0.047 0.000 0.763 68 P CB 0.208 31.864 31.700 -0.073 0.000 0.807 69 I N 3.409 123.973 120.570 -0.010 0.000 2.204 69 I HA 0.097 4.267 4.170 0.001 0.000 0.291 69 I C 1.037 177.164 176.117 0.016 0.000 1.153 69 I CA 0.119 61.415 61.300 -0.006 0.000 1.546 69 I CB -0.870 37.119 38.000 -0.017 0.000 1.490 69 I HN 0.355 nan 8.210 nan 0.000 0.697 70 H N 5.385 124.400 119.070 -0.091 0.000 2.489 70 H HA 0.052 4.608 4.556 0.001 0.000 0.343 70 H C 0.636 175.862 175.328 -0.171 0.000 1.086 70 H CA -0.813 55.160 56.048 -0.124 0.000 1.198 70 H CB 1.434 31.072 29.762 -0.206 0.000 1.490 70 H HN 0.618 nan 8.280 nan 0.000 0.504 71 W N 5.174 126.184 121.300 -0.484 0.000 2.308 71 W HA -0.190 4.470 4.660 0.000 0.000 0.301 71 W C 0.652 177.125 176.519 -0.077 0.000 1.220 71 W CA 1.142 58.340 57.345 -0.245 0.000 1.240 71 W CB -0.529 28.786 29.460 -0.243 0.000 1.142 71 W HN 0.654 nan 8.180 nan 0.000 0.521 72 E N 0.852 120.295 120.200 -1.262 0.000 2.058 72 E HA -0.195 4.156 4.350 0.001 0.000 0.194 72 E C 2.398 178.782 176.600 -0.361 0.000 0.997 72 E CA 2.192 58.033 56.400 -0.932 0.000 0.801 72 E CB -0.335 28.929 29.700 -0.727 0.000 0.746 72 E HN 0.116 nan 8.360 nan 0.000 0.450 73 V N 0.714 120.505 119.914 -0.205 0.000 2.343 73 V HA -0.214 3.906 4.120 0.001 0.000 0.247 73 V C 2.272 178.254 176.094 -0.187 0.000 1.051 73 V CA 1.256 63.452 62.300 -0.173 0.000 1.036 73 V CB -0.213 31.538 31.823 -0.119 0.000 0.654 73 V HN 0.144 nan 8.190 nan 0.000 0.451 74 V N 0.411 120.235 119.914 -0.151 0.000 2.515 74 V HA -0.231 3.890 4.120 0.001 0.000 0.250 74 V C 2.559 178.547 176.094 -0.176 0.000 1.058 74 V CA 2.187 64.397 62.300 -0.149 0.000 1.064 74 V CB -0.868 30.912 31.823 -0.071 0.000 0.675 74 V HN 0.584 nan 8.190 nan 0.000 0.461 75 R N 0.439 120.862 120.500 -0.127 0.000 2.105 75 R HA -0.189 4.152 4.340 0.001 0.000 0.239 75 R C 2.277 178.413 176.300 -0.273 0.000 1.135 75 R CA 1.475 57.487 56.100 -0.147 0.000 0.967 75 R CB -0.177 30.134 30.300 0.019 0.000 0.861 75 R HN 0.311 nan 8.270 nan 0.000 0.442 76 K N 0.748 121.008 120.400 -0.233 0.000 2.097 76 K HA -0.084 4.237 4.320 0.001 0.000 0.205 76 K C 2.123 178.543 176.600 -0.299 0.000 1.050 76 K CA 1.210 57.360 56.287 -0.229 0.000 0.938 76 K CB -0.224 32.167 32.500 -0.180 0.000 0.718 76 K HN 0.360 nan 8.250 nan 0.000 0.442 77 I N 0.731 121.075 120.570 -0.377 0.000 2.286 77 I HA -0.256 3.914 4.170 0.001 0.000 0.248 77 I C 2.305 178.198 176.117 -0.373 0.000 1.115 77 I CA 1.023 62.011 61.300 -0.521 0.000 1.392 77 I CB -0.235 37.357 38.000 -0.680 0.000 1.065 77 I HN 0.048 nan 8.210 nan 0.000 0.418 78 I N 0.514 120.864 120.570 -0.367 0.000 2.163 78 I HA -0.293 3.878 4.170 0.001 0.000 0.240 78 I C 2.702 178.523 176.117 -0.492 0.000 1.081 78 I CA 1.374 62.442 61.300 -0.386 0.000 1.353 78 I CB -0.390 37.341 38.000 -0.449 0.000 1.054 78 I HN 0.267 nan 8.210 nan 0.000 0.407 79 E N 1.508 121.271 120.200 -0.728 0.000 2.070 79 E HA -0.335 4.016 4.350 0.001 0.000 0.197 79 E C 2.182 178.701 176.600 -0.135 0.000 1.004 79 E CA 1.772 57.832 56.400 -0.567 0.000 0.805 79 E CB -0.054 29.424 29.700 -0.372 0.000 0.744 79 E HN 0.348 nan 8.360 nan 0.000 0.451 80 K N -0.340 119.973 120.400 -0.145 0.000 2.296 80 K HA -0.090 4.230 4.320 0.001 0.000 0.200 80 K C 1.634 178.226 176.600 -0.013 0.000 1.048 80 K CA 0.981 57.237 56.287 -0.052 0.000 0.966 80 K CB 0.286 32.752 32.500 -0.055 0.000 0.754 80 K HN 0.026 nan 8.250 nan 0.000 0.466 81 E N 0.200 120.371 120.200 -0.048 0.000 2.372 81 E HA 0.057 4.408 4.350 0.001 0.000 0.201 81 E C -0.246 176.367 176.600 0.023 0.000 0.938 81 E CA 0.052 56.461 56.400 0.014 0.000 0.944 81 E CB 0.576 30.294 29.700 0.031 0.000 0.937 81 E HN 0.098 nan 8.360 nan 0.000 0.495 82 R N 0.834 121.333 120.500 -0.000 0.000 3.146 82 R HA -0.121 4.220 4.340 0.001 0.000 0.250 82 R C -2.489 173.843 176.300 0.054 0.000 0.912 82 R CA 0.229 56.362 56.100 0.055 0.000 0.633 82 R CB -2.564 27.790 30.300 0.088 0.000 1.180 82 R HN 0.245 nan 8.270 nan 0.000 0.464 83 P HA 0.172 nan 4.420 nan 0.000 0.277 83 P C 0.337 177.669 177.300 0.055 0.000 1.240 83 P CA -0.332 62.792 63.100 0.039 0.000 0.798 83 P CB 0.837 32.547 31.700 0.017 0.000 0.979 84 D N 0.114 120.549 120.400 0.058 0.000 2.216 84 D HA 0.118 4.758 4.640 0.001 0.000 0.208 84 D C 0.693 177.021 176.300 0.046 0.000 0.960 84 D CA 1.062 55.097 54.000 0.060 0.000 0.861 84 D CB 0.472 41.313 40.800 0.069 0.000 0.985 84 D HN 0.460 nan 8.370 nan 0.000 0.493 85 A N -0.009 122.831 122.820 0.033 0.000 2.527 85 A HA 0.599 4.919 4.320 0.001 0.000 0.293 85 A C -1.451 176.136 177.584 0.005 0.000 1.117 85 A CA -0.547 51.499 52.037 0.015 0.000 0.723 85 A CB 2.447 21.447 19.000 0.001 0.000 1.313 85 A HN -0.067 nan 8.150 nan 0.000 0.411 86 V N 1.179 121.093 119.914 -0.001 0.000 2.577 86 V HA 0.643 4.763 4.120 0.001 0.000 0.303 86 V C -1.715 174.374 176.094 -0.009 0.000 1.042 86 V CA -0.581 61.717 62.300 -0.005 0.000 0.872 86 V CB 1.429 33.250 31.823 -0.003 0.000 0.998 86 V HN 1.013 nan 8.190 nan 0.000 0.423 87 L N 10.231 131.446 121.223 -0.012 0.000 2.277 87 L HA 0.733 5.073 4.340 0.001 0.000 0.284 87 L C -2.039 174.827 176.870 -0.007 0.000 1.028 87 L CA -1.232 53.601 54.840 -0.012 0.000 0.835 87 L CB 1.937 43.984 42.059 -0.020 0.000 1.215 87 L HN 0.511 nan 8.230 nan 0.000 0.425 88 P HA 0.117 nan 4.420 nan 0.000 0.268 88 P C 0.579 177.872 177.300 -0.012 0.000 1.329 88 P CA 0.184 63.279 63.100 -0.009 0.000 0.899 88 P CB 0.277 31.975 31.700 -0.005 0.000 1.378 89 T N -4.695 109.859 114.554 0.001 0.000 3.107 89 T HA 0.202 4.552 4.350 0.001 0.000 0.249 89 T C 1.193 175.917 174.700 0.040 0.000 1.096 89 T CA 0.132 62.241 62.100 0.014 0.000 1.012 89 T CB -0.441 68.442 68.868 0.027 0.000 0.977 89 T HN -0.128 nan 8.240 nan 0.000 0.527 90 M N 1.318 120.940 119.600 0.036 0.000 2.475 90 M HA 0.404 4.884 4.480 0.001 0.000 0.283 90 M C 1.136 177.487 176.300 0.085 0.000 1.165 90 M CA -0.007 55.349 55.300 0.094 0.000 0.976 90 M CB 0.627 33.265 32.600 0.063 0.000 1.428 90 M HN 0.442 nan 8.290 nan 0.000 0.495 91 G N -0.166 108.587 108.800 -0.078 0.000 4.543 91 G HA2 0.483 4.444 3.960 0.001 0.000 0.286 91 G HA3 0.483 4.444 3.960 0.001 0.000 0.286 91 G C 0.717 175.255 174.900 -0.603 0.000 1.112 91 G CA 0.104 45.065 45.100 -0.232 0.000 0.870 91 G HN 0.575 nan 8.290 nan 0.000 0.540 92 G N 0.812 108.995 108.800 -1.027 0.000 2.564 92 G HA2 -0.359 3.602 3.960 0.001 0.000 0.273 92 G HA3 -0.359 3.602 3.960 0.001 0.000 0.273 92 G C 0.930 175.574 174.900 -0.426 0.000 1.242 92 G CA 0.796 45.234 45.100 -1.104 0.000 0.951 92 G HN 0.638 nan 8.290 nan 0.000 0.564 93 Q N -1.145 118.468 119.800 -0.312 0.000 2.187 93 Q HA 0.112 4.452 4.340 0.001 0.000 0.199 93 Q C 2.832 178.770 176.000 -0.102 0.000 0.957 93 Q CA 2.507 58.224 55.803 -0.143 0.000 0.857 93 Q CB -0.505 28.177 28.738 -0.094 0.000 0.929 93 Q HN 0.678 nan 8.270 nan 0.000 0.453 94 T N -0.007 114.461 114.554 -0.143 0.000 2.720 94 T HA -0.169 4.181 4.350 0.001 0.000 0.268 94 T C 1.623 176.276 174.700 -0.078 0.000 1.037 94 T CA 1.418 63.461 62.100 -0.095 0.000 1.144 94 T CB -0.439 68.365 68.868 -0.106 0.000 0.864 94 T HN 0.465 nan 8.240 nan 0.000 0.444 95 A N 0.751 123.504 122.820 -0.112 0.000 1.929 95 A HA 0.117 4.437 4.320 0.001 0.000 0.216 95 A C 2.290 179.847 177.584 -0.045 0.000 1.176 95 A CA 0.907 52.899 52.037 -0.075 0.000 0.628 95 A CB -0.667 18.281 19.000 -0.086 0.000 0.816 95 A HN 0.451 nan 8.150 nan 0.000 0.444 96 L N -0.262 120.933 121.223 -0.047 0.000 1.976 96 L HA -0.224 4.116 4.340 0.001 0.000 0.209 96 L C 2.373 179.269 176.870 0.043 0.000 1.071 96 L CA 1.498 56.340 54.840 0.004 0.000 0.746 96 L CB -0.776 41.289 42.059 0.010 0.000 0.890 96 L HN 0.331 nan 8.230 nan 0.000 0.432 97 N N -0.473 118.256 118.700 0.048 0.000 2.094 97 N HA -0.233 4.507 4.740 0.001 0.000 0.191 97 N C 1.875 177.378 175.510 -0.011 0.000 1.023 97 N CA 1.648 54.722 53.050 0.041 0.000 0.857 97 N CB -0.888 37.616 38.487 0.029 0.000 1.013 97 N HN 0.413 nan 8.380 nan 0.000 0.426 98 C N 0.751 120.044 119.300 -0.011 0.000 2.446 98 C HA 0.160 4.620 4.460 0.001 0.000 0.277 98 C C 2.731 177.716 174.990 -0.008 0.000 1.275 98 C CA 0.968 59.982 59.018 -0.007 0.000 1.727 98 C CB -1.254 26.483 27.740 -0.005 0.000 2.010 98 C HN 0.467 nan 8.230 nan 0.000 0.486 99 A N 0.066 122.881 122.820 -0.008 0.000 1.940 99 A HA -0.073 4.247 4.320 0.001 0.000 0.219 99 A C 1.920 179.490 177.584 -0.023 0.000 1.176 99 A CA 1.671 53.703 52.037 -0.008 0.000 0.631 99 A CB -0.596 18.404 19.000 -0.001 0.000 0.814 99 A HN 0.554 nan 8.150 nan 0.000 0.446 100 L N -0.821 120.386 121.223 -0.026 0.000 2.313 100 L HA 0.002 4.343 4.340 0.001 0.000 0.214 100 L C 2.237 179.030 176.870 -0.127 0.000 1.119 100 L CA 1.793 56.600 54.840 -0.054 0.000 0.809 100 L CB -0.412 41.635 42.059 -0.021 0.000 0.933 100 L HN 0.482 nan 8.230 nan 0.000 0.449 101 E N -0.424 119.685 120.200 -0.150 0.000 2.112 101 E HA -0.096 4.254 4.350 0.001 0.000 0.190 101 E C 2.166 178.559 176.600 -0.345 0.000 0.979 101 E CA 0.969 57.197 56.400 -0.286 0.000 0.814 101 E CB -0.119 29.401 29.700 -0.300 0.000 0.762 101 E HN 0.381 nan 8.360 nan 0.000 0.460 102 L N 0.509 121.638 121.223 -0.157 0.000 2.093 102 L HA -0.136 4.204 4.340 0.001 0.000 0.208 102 L C 2.448 179.263 176.870 -0.091 0.000 1.085 102 L CA 1.644 56.438 54.840 -0.076 0.000 0.755 102 L CB -0.420 41.648 42.059 0.015 0.000 0.904 102 L HN 0.249 nan 8.230 nan 0.000 0.435 103 E N 0.511 120.656 120.200 -0.091 0.000 2.028 103 E HA -0.230 4.121 4.350 0.001 0.000 0.190 103 E C 2.314 178.852 176.600 -0.104 0.000 0.984 103 E CA 1.050 57.409 56.400 -0.068 0.000 0.800 103 E CB -0.252 29.420 29.700 -0.047 0.000 0.758 103 E HN 0.118 nan 8.360 nan 0.000 0.448 104 R N -0.295 120.114 120.500 -0.152 0.000 2.091 104 R HA -0.126 4.214 4.340 0.001 0.000 0.238 104 R C 2.067 178.236 176.300 -0.219 0.000 1.136 104 R CA 1.745 57.737 56.100 -0.179 0.000 0.959 104 R CB -0.118 30.049 30.300 -0.223 0.000 0.856 104 R HN 0.314 nan 8.270 nan 0.000 0.437 105 Q N -0.752 118.853 119.800 -0.324 0.000 2.515 105 Q HA -0.002 4.338 4.340 0.001 0.000 0.212 105 Q C 0.983 176.882 176.000 -0.168 0.000 0.970 105 Q CA 1.000 56.575 55.803 -0.380 0.000 0.941 105 Q CB 0.335 28.587 28.738 -0.811 0.000 0.998 105 Q HN 0.675 nan 8.270 nan 0.000 0.518 106 G N 0.174 108.912 108.800 -0.103 0.000 2.153 106 G HA2 -0.282 3.678 3.960 0.001 0.000 0.252 106 G HA3 -0.282 3.678 3.960 0.001 0.000 0.252 106 G C 0.877 175.805 174.900 0.047 0.000 0.994 106 G CA 0.495 45.579 45.100 -0.028 0.000 0.698 106 G HN 0.327 nan 8.290 nan 0.000 0.521 107 V N 0.197 120.157 119.914 0.077 0.000 2.719 107 V HA 0.023 4.143 4.120 0.001 0.000 0.252 107 V C 2.788 179.025 176.094 0.237 0.000 1.065 107 V CA 1.841 64.271 62.300 0.217 0.000 1.086 107 V CB -0.257 31.689 31.823 0.206 0.000 0.700 107 V HN 0.497 nan 8.190 nan 0.000 0.467 108 L N 0.103 121.396 121.223 0.117 0.000 2.156 108 L HA -0.121 4.219 4.340 0.001 0.000 0.208 108 L C 2.550 179.483 176.870 0.104 0.000 1.095 108 L CA 1.757 56.658 54.840 0.102 0.000 0.770 108 L CB -0.385 41.701 42.059 0.045 0.000 0.914 108 L HN 0.423 nan 8.230 nan 0.000 0.439 109 E N 0.856 121.098 120.200 0.070 0.000 2.076 109 E HA -0.258 4.092 4.350 0.001 0.000 0.190 109 E C 2.018 178.634 176.600 0.027 0.000 0.979 109 E CA 0.902 57.325 56.400 0.038 0.000 0.807 109 E CB -0.010 29.694 29.700 0.008 0.000 0.761 109 E HN 0.344 nan 8.360 nan 0.000 0.454 110 E N -1.223 119.002 120.200 0.042 0.000 2.463 110 E HA -0.156 4.195 4.350 0.001 0.000 0.201 110 E C -0.158 176.236 176.600 -0.344 0.000 1.045 110 E CA 0.621 56.955 56.400 -0.110 0.000 0.872 110 E CB 0.078 29.759 29.700 -0.032 0.000 0.797 110 E HN 0.385 nan 8.360 nan 0.000 0.538 111 F N -1.232 118.724 119.950 0.010 0.000 2.901 111 F HA 0.288 4.815 4.527 0.001 0.000 0.329 111 F C 0.723 176.529 175.800 0.010 0.000 1.185 111 F CA 0.084 58.091 58.000 0.011 0.000 1.114 111 F CB 1.353 40.361 39.000 0.013 0.000 1.199 111 F HN 0.014 nan 8.300 nan 0.000 0.513 112 G N 1.901 110.777 108.800 0.126 0.000 2.366 112 G HA2 -0.237 3.723 3.960 0.001 0.000 0.299 112 G HA3 -0.237 3.723 3.960 0.001 0.000 0.299 112 G C -0.314 174.642 174.900 0.094 0.000 1.020 112 G CA 0.263 45.414 45.100 0.084 0.000 1.026 112 G HN 0.193 nan 8.290 nan 0.000 0.512 113 V N 0.979 120.953 119.914 0.100 0.000 2.364 113 V HA 0.454 4.574 4.120 0.001 0.000 0.272 113 V C 0.784 176.906 176.094 0.047 0.000 1.036 113 V CA -0.172 62.171 62.300 0.072 0.000 0.880 113 V CB 1.474 33.336 31.823 0.064 0.000 0.991 113 V HN 0.395 nan 8.190 nan 0.000 0.460 114 T N 6.653 121.228 114.554 0.036 0.000 2.743 114 T HA 0.366 4.716 4.350 0.001 0.000 0.293 114 T C 0.003 174.712 174.700 0.016 0.000 0.945 114 T CA -0.220 61.895 62.100 0.025 0.000 1.030 114 T CB 0.830 69.712 68.868 0.024 0.000 0.912 114 T HN 0.658 nan 8.240 nan 0.000 0.483 115 M N 6.376 125.984 119.600 0.013 0.000 2.156 115 M HA 0.407 4.888 4.480 0.001 0.000 0.345 115 M C -0.536 175.768 176.300 0.005 0.000 1.398 115 M CA -0.416 54.889 55.300 0.008 0.000 1.148 115 M CB -0.262 32.344 32.600 0.009 0.000 1.663 115 M HN 0.652 nan 8.290 nan 0.000 0.464 116 I N 1.390 121.959 120.570 -0.002 0.000 2.863 116 I HA 0.939 5.109 4.170 0.001 0.000 0.311 116 I C 0.701 176.817 176.117 -0.002 0.000 1.026 116 I CA -0.167 61.130 61.300 -0.004 0.000 1.077 116 I CB 1.741 39.729 38.000 -0.020 0.000 1.262 116 I HN 0.832 nan 8.210 nan 0.000 0.461 117 G N 2.488 111.291 108.800 0.004 0.000 2.956 117 G HA2 -0.039 3.921 3.960 0.001 0.000 0.210 117 G HA3 -0.039 3.921 3.960 0.001 0.000 0.210 117 G C 0.086 174.996 174.900 0.017 0.000 1.316 117 G CA 0.369 45.476 45.100 0.012 0.000 0.819 117 G HN 1.608 nan 8.290 nan 0.000 0.544 118 A N -0.903 121.926 122.820 0.015 0.000 2.583 118 A HA 0.990 5.310 4.320 0.001 0.000 0.289 118 A C -0.025 177.569 177.584 0.016 0.000 1.151 118 A CA 0.909 52.956 52.037 0.017 0.000 0.695 118 A CB 1.110 20.120 19.000 0.017 0.000 1.290 118 A HN 1.975 nan 8.150 nan 0.000 0.419 119 T N -2.485 112.081 114.554 0.019 0.000 2.918 119 T HA 0.622 4.972 4.350 0.001 0.000 0.286 119 T C 1.074 175.788 174.700 0.024 0.000 1.026 119 T CA 0.217 62.328 62.100 0.019 0.000 1.031 119 T CB 1.525 70.403 68.868 0.018 0.000 1.046 119 T HN 1.795 nan 8.240 nan 0.000 0.479 120 A N 1.090 123.924 122.820 0.023 0.000 1.978 120 A HA -0.081 4.239 4.320 0.001 0.000 0.220 120 A C 1.901 179.511 177.584 0.043 0.000 1.170 120 A CA 2.260 54.316 52.037 0.032 0.000 0.636 120 A CB -1.263 17.747 19.000 0.018 0.000 0.810 120 A HN 1.039 nan 8.150 nan 0.000 0.448 121 D N -0.653 119.767 120.400 0.033 0.000 2.103 121 D HA 0.042 4.683 4.640 0.001 0.000 0.199 121 D C 2.068 178.393 176.300 0.043 0.000 0.978 121 D CA 1.427 55.449 54.000 0.037 0.000 0.829 121 D CB -0.198 40.617 40.800 0.025 0.000 0.981 121 D HN 0.320 nan 8.370 nan 0.000 0.464 122 A N 0.236 123.076 122.820 0.034 0.000 1.908 122 A HA -0.135 4.186 4.320 0.001 0.000 0.218 122 A C 2.359 179.963 177.584 0.033 0.000 1.181 122 A CA 1.226 53.283 52.037 0.033 0.000 0.627 122 A CB -0.891 18.125 19.000 0.027 0.000 0.818 122 A HN 0.403 nan 8.150 nan 0.000 0.445 123 I N -0.387 120.204 120.570 0.035 0.000 2.226 123 I HA -0.262 3.908 4.170 0.001 0.000 0.245 123 I C 2.284 178.420 176.117 0.031 0.000 1.100 123 I CA 2.016 63.331 61.300 0.025 0.000 1.374 123 I CB -0.335 37.694 38.000 0.049 0.000 1.057 123 I HN 0.477 nan 8.210 nan 0.000 0.413 124 D N 0.776 121.242 120.400 0.109 0.000 2.149 124 D HA -0.230 4.411 4.640 0.001 0.000 0.201 124 D C 2.184 178.547 176.300 0.104 0.000 0.972 124 D CA 1.141 55.260 54.000 0.199 0.000 0.835 124 D CB 0.015 40.942 40.800 0.213 0.000 0.966 124 D HN 0.042 nan 8.370 nan 0.000 0.476 125 K N -0.670 119.775 120.400 0.076 0.000 2.211 125 K HA -0.091 4.229 4.320 0.001 0.000 0.204 125 K C 1.675 178.337 176.600 0.104 0.000 1.047 125 K CA 1.256 57.589 56.287 0.077 0.000 0.935 125 K CB -0.039 32.497 32.500 0.059 0.000 0.728 125 K HN 0.215 nan 8.250 nan 0.000 0.452 126 A N -0.099 122.750 122.820 0.048 0.000 2.014 126 A HA 0.058 4.379 4.320 0.001 0.000 0.210 126 A C 1.669 179.140 177.584 -0.189 0.000 1.188 126 A CA 0.267 52.324 52.037 0.032 0.000 0.731 126 A CB 0.021 19.016 19.000 -0.008 0.000 0.858 126 A HN 0.131 nan 8.150 nan 0.000 0.464 127 E N 0.897 120.890 120.200 -0.345 0.000 2.112 127 E HA -0.071 4.280 4.350 0.001 0.000 0.190 127 E C 0.003 176.210 176.600 -0.655 0.000 0.979 127 E CA 0.391 56.331 56.400 -0.767 0.000 0.814 127 E CB -0.224 28.595 29.700 -1.469 0.000 0.762 127 E HN 0.524 nan 8.360 nan 0.000 0.460 128 D N 1.105 121.364 120.400 -0.234 0.000 2.344 128 D HA -0.003 4.637 4.640 0.001 0.000 0.253 128 D C 0.781 177.114 176.300 0.056 0.000 1.255 128 D CA 0.008 54.065 54.000 0.094 0.000 0.894 128 D CB 0.399 41.340 40.800 0.234 0.000 1.067 128 D HN -0.067 nan 8.370 nan 0.000 0.492 129 R N 3.049 123.570 120.500 0.036 0.000 2.241 129 R HA -0.106 4.234 4.340 0.001 0.000 0.224 129 R C 2.012 178.376 176.300 0.107 0.000 1.101 129 R CA 0.489 56.617 56.100 0.047 0.000 0.995 129 R CB 0.152 30.449 30.300 -0.005 0.000 0.870 129 R HN 0.451 nan 8.270 nan 0.000 0.463 130 R N 1.022 121.585 120.500 0.104 0.000 2.075 130 R HA -0.026 4.314 4.340 0.001 0.000 0.226 130 R C 2.076 178.428 176.300 0.087 0.000 1.114 130 R CA 0.934 57.090 56.100 0.093 0.000 0.972 130 R CB 0.097 30.462 30.300 0.108 0.000 0.869 130 R HN 0.114 nan 8.270 nan 0.000 0.437 131 R N -0.519 120.041 120.500 0.101 0.000 2.075 131 R HA -0.138 4.202 4.340 0.001 0.000 0.232 131 R C 2.192 178.530 176.300 0.064 0.000 1.126 131 R CA 1.556 57.702 56.100 0.076 0.000 0.963 131 R CB -0.465 29.888 30.300 0.088 0.000 0.858 131 R HN 0.200 nan 8.270 nan 0.000 0.435 132 F N 2.093 122.028 119.950 -0.026 0.000 2.095 132 F HA -0.267 4.261 4.527 0.001 0.000 0.298 132 F C 1.882 177.660 175.800 -0.037 0.000 1.104 132 F CA 2.081 60.055 58.000 -0.043 0.000 1.232 132 F CB -0.363 38.596 39.000 -0.070 0.000 0.987 132 F HN -0.002 nan 8.300 nan 0.000 0.475 133 D N -0.503 119.939 120.400 0.070 0.000 2.123 133 D HA -0.193 4.448 4.640 0.001 0.000 0.196 133 D C 2.245 178.484 176.300 -0.101 0.000 0.992 133 D CA 1.651 55.642 54.000 -0.015 0.000 0.833 133 D CB -0.183 40.647 40.800 0.049 0.000 0.954 133 D HN 0.184 nan 8.370 nan 0.000 0.455 134 V N 0.399 120.272 119.914 -0.068 0.000 2.358 134 V HA -0.209 3.912 4.120 0.001 0.000 0.246 134 V C 2.426 178.452 176.094 -0.115 0.000 1.047 134 V CA 1.700 63.961 62.300 -0.066 0.000 1.035 134 V CB -0.722 31.085 31.823 -0.027 0.000 0.658 134 V HN 0.348 nan 8.190 nan 0.000 0.452 135 A N -0.439 122.277 122.820 -0.174 0.000 1.908 135 A HA -0.240 4.080 4.320 0.001 0.000 0.218 135 A C 2.213 179.640 177.584 -0.261 0.000 1.181 135 A CA 2.092 54.000 52.037 -0.215 0.000 0.627 135 A CB -0.466 18.369 19.000 -0.276 0.000 0.818 135 A HN 0.415 nan 8.150 nan 0.000 0.445 136 M N -0.425 118.946 119.600 -0.381 0.000 2.117 136 M HA -0.130 4.350 4.480 0.001 0.000 0.262 136 M C 2.058 178.266 176.300 -0.152 0.000 1.065 136 M CA 2.117 57.234 55.300 -0.304 0.000 1.114 136 M CB -1.188 31.215 32.600 -0.329 0.000 1.361 136 M HN 0.548 nan 8.290 nan 0.000 0.408 137 K N 0.925 121.251 120.400 -0.124 0.000 2.097 137 K HA -0.172 4.148 4.320 0.001 0.000 0.206 137 K C 2.028 178.593 176.600 -0.058 0.000 1.049 137 K CA 1.554 57.799 56.287 -0.070 0.000 0.933 137 K CB -0.190 32.278 32.500 -0.054 0.000 0.717 137 K HN 0.266 nan 8.250 nan 0.000 0.442 138 K N 1.115 121.473 120.400 -0.070 0.000 2.026 138 K HA -0.124 4.197 4.320 0.001 0.000 0.208 138 K C 1.890 178.462 176.600 -0.047 0.000 1.048 138 K CA 1.814 58.069 56.287 -0.053 0.000 0.929 138 K CB -0.340 32.125 32.500 -0.058 0.000 0.713 138 K HN 0.476 nan 8.250 nan 0.000 0.439 139 I N -2.417 118.115 120.570 -0.062 0.000 3.334 139 I HA 0.178 4.349 4.170 0.001 0.000 0.282 139 I C 0.855 176.954 176.117 -0.030 0.000 1.313 139 I CA 0.762 62.035 61.300 -0.046 0.000 1.396 139 I CB -0.450 37.520 38.000 -0.051 0.000 1.054 139 I HN 0.392 nan 8.210 nan 0.000 0.495 140 G N 1.900 110.682 108.800 -0.031 0.000 2.143 140 G HA2 -0.246 3.714 3.960 0.001 0.000 0.248 140 G HA3 -0.246 3.714 3.960 0.001 0.000 0.248 140 G C 0.022 174.921 174.900 -0.002 0.000 0.991 140 G CA 0.352 45.444 45.100 -0.014 0.000 0.689 140 G HN 0.463 nan 8.290 nan 0.000 0.522 141 L N -0.136 121.082 121.223 -0.010 0.000 2.343 141 L HA 0.624 4.964 4.340 0.001 0.000 0.275 141 L C 0.681 177.563 176.870 0.020 0.000 1.056 141 L CA -0.832 54.022 54.840 0.023 0.000 0.804 141 L CB 1.406 43.492 42.059 0.045 0.000 1.203 141 L HN 0.224 nan 8.230 nan 0.000 0.440 142 E N 1.015 121.251 120.200 0.059 0.000 2.249 142 E HA 0.346 4.696 4.350 0.001 0.000 0.280 142 E C -0.809 175.830 176.600 0.066 0.000 1.016 142 E CA -0.433 56.003 56.400 0.059 0.000 0.830 142 E CB 1.328 31.080 29.700 0.087 0.000 1.081 142 E HN 0.681 nan 8.360 nan 0.000 0.395 143 T N 0.145 114.721 114.554 0.037 0.000 2.930 143 T HA 0.743 5.094 4.350 0.001 0.000 0.290 143 T C -0.107 174.595 174.700 0.003 0.000 1.052 143 T CA -0.881 61.239 62.100 0.033 0.000 1.017 143 T CB 1.582 70.473 68.868 0.037 0.000 1.137 143 T HN 0.460 nan 8.240 nan 0.000 0.511 144 A N 1.310 124.112 122.820 -0.031 0.000 2.313 144 A HA 0.556 4.877 4.320 0.001 0.000 0.261 144 A C 0.652 178.208 177.584 -0.047 0.000 1.090 144 A CA -0.725 51.269 52.037 -0.071 0.000 0.807 144 A CB 0.052 18.973 19.000 -0.131 0.000 1.055 144 A HN 0.979 nan 8.150 nan 0.000 0.492 145 R N 0.559 121.028 120.500 -0.053 0.000 2.480 145 R HA 0.221 4.562 4.340 0.001 0.000 0.303 145 R C -0.228 176.045 176.300 -0.045 0.000 0.985 145 R CA 0.997 57.072 56.100 -0.042 0.000 1.051 145 R CB -0.059 30.214 30.300 -0.045 0.000 0.935 145 R HN 0.907 nan 8.270 nan 0.000 0.410 146 S N 2.047 117.728 115.700 -0.032 0.000 2.720 146 S HA 0.856 5.326 4.470 0.001 0.000 0.287 146 S C -0.456 174.130 174.600 -0.023 0.000 1.168 146 S CA -0.660 57.523 58.200 -0.028 0.000 0.832 146 S CB 2.077 65.266 63.200 -0.017 0.000 1.166 146 S HN 0.685 nan 8.310 nan 0.000 0.493 147 G N -0.259 108.529 108.800 -0.020 0.000 2.718 147 G HA2 0.613 4.574 3.960 0.001 0.000 0.295 147 G HA3 0.613 4.574 3.960 0.001 0.000 0.295 147 G C -1.600 173.279 174.900 -0.034 0.000 1.421 147 G CA -0.655 44.432 45.100 -0.022 0.000 0.902 147 G HN 0.597 nan 8.290 nan 0.000 0.501 148 I N 1.024 121.562 120.570 -0.052 0.000 2.392 148 I HA 0.663 4.834 4.170 0.001 0.000 0.295 148 I C 0.260 176.248 176.117 -0.215 0.000 0.985 148 I CA -0.655 60.569 61.300 -0.127 0.000 1.221 148 I CB 1.494 39.437 38.000 -0.094 0.000 1.366 148 I HN 0.654 nan 8.210 nan 0.000 0.467 149 A N 4.952 127.570 122.820 -0.336 0.000 2.422 149 A HA 0.622 4.942 4.320 0.001 0.000 0.302 149 A C -0.663 176.653 177.584 -0.446 0.000 1.041 149 A CA -0.430 51.432 52.037 -0.292 0.000 0.708 149 A CB 0.803 19.756 19.000 -0.077 0.000 1.257 149 A HN 0.856 nan 8.150 nan 0.000 0.414 150 H N 0.345 119.430 119.070 0.025 0.000 2.986 150 H HA 0.262 4.818 4.556 0.001 0.000 0.267 150 H C 0.629 175.968 175.328 0.017 0.000 1.072 150 H CA 0.935 56.994 56.048 0.018 0.000 1.202 150 H CB 1.079 30.850 29.762 0.015 0.000 1.535 150 H HN 0.765 nan 8.280 nan 0.000 0.522 151 T N -3.474 111.134 114.554 0.091 0.000 2.841 151 T HA 0.191 4.541 4.350 0.001 0.000 0.296 151 T C 0.886 175.620 174.700 0.055 0.000 1.166 151 T CA -0.942 61.201 62.100 0.071 0.000 1.007 151 T CB 1.834 70.748 68.868 0.076 0.000 1.253 151 T HN -0.038 nan 8.240 nan 0.000 0.511 152 M N 0.938 120.573 119.600 0.058 0.000 2.117 152 M HA 0.030 4.510 4.480 0.001 0.000 0.262 152 M C 2.166 178.535 176.300 0.114 0.000 1.065 152 M CA 2.234 57.582 55.300 0.079 0.000 1.114 152 M CB -0.851 31.792 32.600 0.072 0.000 1.361 152 M HN 0.912 nan 8.290 nan 0.000 0.408 153 E N -0.384 119.867 120.200 0.085 0.000 2.077 153 E HA -0.238 4.112 4.350 0.001 0.000 0.193 153 E C 1.829 178.475 176.600 0.076 0.000 0.989 153 E CA 1.650 58.096 56.400 0.077 0.000 0.800 153 E CB -0.295 29.438 29.700 0.056 0.000 0.746 153 E HN 0.700 nan 8.360 nan 0.000 0.452 154 E N 0.081 120.324 120.200 0.071 0.000 2.110 154 E HA -0.185 4.165 4.350 0.001 0.000 0.193 154 E C 2.039 178.684 176.600 0.076 0.000 0.988 154 E CA 0.893 57.328 56.400 0.059 0.000 0.804 154 E CB -0.115 29.617 29.700 0.053 0.000 0.745 154 E HN 0.433 nan 8.360 nan 0.000 0.458 155 A N 1.051 123.945 122.820 0.123 0.000 1.873 155 A HA -0.151 4.169 4.320 0.001 0.000 0.215 155 A C 2.165 179.981 177.584 0.386 0.000 1.186 155 A CA 0.960 53.146 52.037 0.249 0.000 0.616 155 A CB -0.646 18.469 19.000 0.192 0.000 0.823 155 A HN 0.143 nan 8.150 nan 0.000 0.442 156 L N -0.681 120.731 121.223 0.315 0.000 2.079 156 L HA -0.235 4.105 4.340 0.001 0.000 0.210 156 L C 3.039 179.870 176.870 -0.064 0.000 1.081 156 L CA 1.089 55.989 54.840 0.099 0.000 0.752 156 L CB -0.449 41.679 42.059 0.116 0.000 0.896 156 L HN 0.457 nan 8.230 nan 0.000 0.433 157 A N -0.737 122.080 122.820 -0.005 0.000 1.930 157 A HA -0.109 4.211 4.320 0.001 0.000 0.217 157 A C 2.331 179.871 177.584 -0.072 0.000 1.175 157 A CA 1.436 53.449 52.037 -0.039 0.000 0.627 157 A CB -0.642 18.354 19.000 -0.006 0.000 0.815 157 A HN 0.177 nan 8.150 nan 0.000 0.443 158 V N -0.104 119.787 119.914 -0.039 0.000 2.307 158 V HA -0.227 3.893 4.120 0.001 0.000 0.245 158 V C 3.073 179.072 176.094 -0.158 0.000 1.045 158 V CA 1.822 64.088 62.300 -0.057 0.000 1.024 158 V CB -1.160 30.669 31.823 0.009 0.000 0.651 158 V HN 0.602 nan 8.190 nan 0.000 0.449 159 A N 0.109 122.768 122.820 -0.269 0.000 1.948 159 A HA -0.222 4.098 4.320 0.001 0.000 0.220 159 A C 2.377 179.611 177.584 -0.582 0.000 1.177 159 A CA 2.279 53.937 52.037 -0.631 0.000 0.636 159 A CB -0.785 17.406 19.000 -1.348 0.000 0.815 159 A HN 0.618 nan 8.150 nan 0.000 0.449 160 A N -0.802 121.785 122.820 -0.388 0.000 2.015 160 A HA -0.122 4.198 4.320 0.001 0.000 0.219 160 A C 1.799 179.247 177.584 -0.226 0.000 1.163 160 A CA 2.076 53.940 52.037 -0.289 0.000 0.646 160 A CB -0.456 18.438 19.000 -0.176 0.000 0.806 160 A HN 0.573 nan 8.150 nan 0.000 0.448 161 D N -0.808 119.474 120.400 -0.197 0.000 2.201 161 D HA -0.070 4.570 4.640 0.001 0.000 0.209 161 D C 1.816 178.028 176.300 -0.147 0.000 0.961 161 D CA 1.579 55.495 54.000 -0.140 0.000 0.861 161 D CB 0.105 40.847 40.800 -0.098 0.000 0.997 161 D HN 0.314 nan 8.370 nan 0.000 0.486 162 V N -2.538 117.268 119.914 -0.180 0.000 3.541 162 V HA 0.446 4.566 4.120 0.001 0.000 0.267 162 V C 1.177 177.152 176.094 -0.199 0.000 1.213 162 V CA 0.455 62.661 62.300 -0.157 0.000 1.149 162 V CB -0.803 30.945 31.823 -0.126 0.000 0.822 162 V HN 0.285 nan 8.190 nan 0.000 0.462 163 G N 0.402 109.012 108.800 -0.318 0.000 2.877 163 G HA2 -0.195 3.765 3.960 0.001 0.000 0.279 163 G HA3 -0.195 3.765 3.960 0.001 0.000 0.279 163 G C -0.788 173.851 174.900 -0.436 0.000 1.431 163 G CA 0.025 44.898 45.100 -0.378 0.000 0.883 163 G HN 0.477 nan 8.290 nan 0.000 0.547 164 F N 1.224 121.133 119.950 -0.067 0.000 2.425 164 F HA 0.625 5.152 4.527 0.001 0.000 0.331 164 F C -1.010 174.784 175.800 -0.011 0.000 1.085 164 F CA -1.794 56.176 58.000 -0.050 0.000 1.028 164 F CB 1.145 40.132 39.000 -0.023 0.000 1.177 164 F HN 0.425 nan 8.300 nan 0.000 0.487 165 P HA 0.369 nan 4.420 nan 0.000 0.274 165 P C -1.115 176.220 177.300 0.057 0.000 1.231 165 P CA -0.461 62.706 63.100 0.112 0.000 0.790 165 P CB 0.728 32.322 31.700 -0.175 0.000 0.951 166 C N 0.312 119.663 119.300 0.085 0.000 2.802 166 C HA 0.763 5.224 4.460 0.001 0.000 0.307 166 C C -0.490 174.513 174.990 0.022 0.000 1.222 166 C CA -0.978 58.064 59.018 0.039 0.000 1.580 166 C CB 0.237 27.998 27.740 0.036 0.000 2.119 166 C HN 0.391 nan 8.230 nan 0.000 0.479 167 I N 2.078 122.644 120.570 -0.007 0.000 2.336 167 I HA 0.522 4.692 4.170 0.001 0.000 0.292 167 I C -0.147 175.969 176.117 -0.003 0.000 0.991 167 I CA -0.493 60.793 61.300 -0.024 0.000 1.227 167 I CB 1.252 39.220 38.000 -0.054 0.000 1.366 167 I HN 0.575 nan 8.210 nan 0.000 0.466 168 I N 7.084 127.645 120.570 -0.016 0.000 2.362 168 I HA 0.494 4.665 4.170 0.001 0.000 0.289 168 I C -0.246 175.843 176.117 -0.048 0.000 0.994 168 I CA -0.380 60.897 61.300 -0.039 0.000 1.158 168 I CB 0.685 38.628 38.000 -0.095 0.000 1.315 168 I HN 0.398 nan 8.210 nan 0.000 0.451 169 R N 6.628 127.099 120.500 -0.048 0.000 2.514 169 R HA 0.494 4.835 4.340 0.001 0.000 0.296 169 R C -2.824 173.449 176.300 -0.045 0.000 1.012 169 R CA -1.824 54.248 56.100 -0.047 0.000 0.897 169 R CB 1.805 32.071 30.300 -0.056 0.000 1.184 169 R HN 0.214 nan 8.270 nan 0.000 0.440 170 P HA 0.154 nan 4.420 nan 0.000 0.276 170 P C -0.579 176.721 177.300 -0.000 0.000 1.244 170 P CA -0.435 62.657 63.100 -0.014 0.000 0.801 170 P CB 0.970 32.668 31.700 -0.004 0.000 1.006 171 S N 1.220 116.951 115.700 0.053 0.000 2.565 171 S HA 0.384 4.854 4.470 0.001 0.000 0.274 171 S C -0.017 174.712 174.600 0.215 0.000 1.309 171 S CA -0.135 58.117 58.200 0.088 0.000 1.043 171 S CB -0.618 62.711 63.200 0.215 0.000 0.939 171 S HN 0.461 nan 8.310 nan 0.000 0.504 172 F N -0.447 119.484 119.950 -0.032 0.000 2.884 172 F HA -0.236 4.291 4.527 0.001 0.000 0.294 172 F C 0.980 176.756 175.800 -0.039 0.000 0.723 172 F CA 0.886 58.865 58.000 -0.034 0.000 1.294 172 F CB -2.222 36.762 39.000 -0.027 0.000 1.551 172 F HN 0.695 nan 8.300 nan 0.000 0.363 173 T N -1.432 113.143 114.554 0.036 0.000 2.907 173 T HA 0.893 5.244 4.350 0.001 0.000 0.290 173 T C -0.207 174.473 174.700 -0.034 0.000 1.066 173 T CA -0.153 61.952 62.100 0.008 0.000 1.012 173 T CB 2.953 71.826 68.868 0.007 0.000 1.184 173 T HN 0.499 nan 8.240 nan 0.000 0.522 174 M N -0.588 119.000 119.600 -0.020 0.000 2.755 174 M HA 0.756 5.236 4.480 0.001 0.000 0.273 174 M C 0.686 176.987 176.300 0.002 0.000 1.278 174 M CA 0.064 55.365 55.300 0.001 0.000 0.819 174 M CB 0.979 33.580 32.600 0.002 0.000 1.694 174 M HN 1.470 nan 8.290 nan 0.000 0.460 175 G N -0.611 108.209 108.800 0.033 0.000 2.166 175 G HA2 0.097 4.057 3.960 0.001 0.000 0.260 175 G HA3 0.097 4.057 3.960 0.001 0.000 0.260 175 G C 1.096 175.864 174.900 -0.219 0.000 0.986 175 G CA 0.864 45.874 45.100 -0.150 0.000 0.683 175 G HN 2.524 nan 8.290 nan 0.000 0.527 176 G N -1.435 107.372 108.800 0.012 0.000 2.155 176 G HA2 -0.081 3.880 3.960 0.001 0.000 0.257 176 G HA3 -0.081 3.880 3.960 0.001 0.000 0.257 176 G C 0.556 175.441 174.900 -0.026 0.000 0.983 176 G CA 0.815 45.947 45.100 0.053 0.000 0.676 176 G HN 1.875 nan 8.290 nan 0.000 0.528 177 S N 0.187 115.855 115.700 -0.053 0.000 2.596 177 S HA 0.408 4.878 4.470 0.001 0.000 0.298 177 S C 1.674 176.245 174.600 -0.048 0.000 1.255 177 S CA 1.232 59.393 58.200 -0.065 0.000 1.083 177 S CB 0.792 63.955 63.200 -0.063 0.000 0.837 177 S HN 2.124 nan 8.310 nan 0.000 0.499 178 G N 2.378 111.144 108.800 -0.058 0.000 2.159 178 G HA2 -0.149 3.812 3.960 0.001 0.000 0.256 178 G HA3 -0.149 3.812 3.960 0.001 0.000 0.256 178 G C 0.291 175.156 174.900 -0.059 0.000 0.977 178 G CA -0.128 44.938 45.100 -0.055 0.000 0.652 178 G HN 1.113 nan 8.290 nan 0.000 0.531 179 G N -1.485 107.287 108.800 -0.047 0.000 2.932 179 G HA2 1.052 5.013 3.960 0.001 0.000 0.283 179 G HA3 1.052 5.013 3.960 0.001 0.000 0.283 179 G C 0.238 175.119 174.900 -0.032 0.000 1.336 179 G CA 0.253 45.327 45.100 -0.043 0.000 1.056 179 G HN 1.760 nan 8.290 nan 0.000 0.522 180 G N -1.728 107.056 108.800 -0.025 0.000 2.343 180 G HA2 0.383 4.344 3.960 0.001 0.000 0.289 180 G HA3 0.383 4.344 3.960 0.001 0.000 0.289 180 G C -1.690 173.190 174.900 -0.034 0.000 1.295 180 G CA -0.854 44.239 45.100 -0.012 0.000 0.869 180 G HN 0.689 nan 8.290 nan 0.000 0.522 181 I N 1.054 121.592 120.570 -0.055 0.000 2.377 181 I HA 0.616 4.786 4.170 0.001 0.000 0.293 181 I C 0.542 176.525 176.117 -0.223 0.000 0.987 181 I CA -0.815 60.383 61.300 -0.169 0.000 1.185 181 I CB 1.982 39.814 38.000 -0.280 0.000 1.341 181 I HN 0.763 nan 8.210 nan 0.000 0.455 182 A N 5.406 128.131 122.820 -0.158 0.000 2.271 182 A HA 0.495 4.815 4.320 0.001 0.000 0.317 182 A C -0.541 176.897 177.584 -0.243 0.000 1.245 182 A CA -0.302 51.694 52.037 -0.068 0.000 0.857 182 A CB 0.173 19.351 19.000 0.295 0.000 1.175 182 A HN 0.735 nan 8.150 nan 0.000 0.512 183 Y N 1.548 121.782 120.300 -0.109 0.000 2.500 183 Y HA 0.116 4.667 4.550 0.001 0.000 0.270 183 Y C 0.779 176.355 175.900 -0.539 0.000 1.134 183 Y CA 0.651 58.642 58.100 -0.180 0.000 1.293 183 Y CB 0.199 38.602 38.460 -0.095 0.000 1.063 183 Y HN 0.901 nan 8.280 nan 0.000 0.534 184 N N -2.712 115.555 118.700 -0.721 0.000 3.046 184 N HA 0.165 4.905 4.740 0.001 0.000 0.243 184 N C 0.245 175.282 175.510 -0.788 0.000 1.452 184 N CA -1.012 51.444 53.050 -0.990 0.000 0.882 184 N CB 0.603 38.877 38.487 -0.355 0.000 1.425 184 N HN -0.195 nan 8.380 nan 0.000 0.517 185 R N -0.106 120.128 120.500 -0.444 0.000 2.117 185 R HA -0.183 4.157 4.340 0.001 0.000 0.243 185 R C 1.200 177.569 176.300 0.114 0.000 1.143 185 R CA 1.882 58.005 56.100 0.038 0.000 0.968 185 R CB -0.137 30.237 30.300 0.122 0.000 0.863 185 R HN 0.819 nan 8.270 nan 0.000 0.444 186 E N 0.296 120.509 120.200 0.021 0.000 2.077 186 E HA -0.210 4.140 4.350 0.001 0.000 0.193 186 E C 1.673 178.303 176.600 0.050 0.000 0.989 186 E CA 1.349 57.773 56.400 0.040 0.000 0.800 186 E CB 0.067 29.771 29.700 0.008 0.000 0.746 186 E HN 0.460 nan 8.360 nan 0.000 0.452 187 E N -0.356 119.860 120.200 0.026 0.000 2.072 187 E HA -0.166 4.184 4.350 0.001 0.000 0.191 187 E C 1.868 178.515 176.600 0.078 0.000 0.985 187 E CA 0.791 57.212 56.400 0.035 0.000 0.801 187 E CB -0.200 29.511 29.700 0.018 0.000 0.750 187 E HN 0.217 nan 8.360 nan 0.000 0.452 188 F N 2.356 122.296 119.950 -0.017 0.000 2.091 188 F HA -0.248 4.279 4.527 0.001 0.000 0.299 188 F C 2.024 177.855 175.800 0.051 0.000 1.103 188 F CA 1.750 59.791 58.000 0.068 0.000 1.228 188 F CB 0.001 39.126 39.000 0.209 0.000 0.984 188 F HN -0.030 nan 8.300 nan 0.000 0.477 189 E N -0.359 119.941 120.200 0.167 0.000 2.106 189 E HA -0.264 4.087 4.350 0.001 0.000 0.192 189 E C 2.158 178.737 176.600 -0.035 0.000 0.984 189 E CA 1.272 57.703 56.400 0.051 0.000 0.806 189 E CB -0.402 29.367 29.700 0.114 0.000 0.750 189 E HN 0.637 nan 8.360 nan 0.000 0.458 190 E N 1.196 121.385 120.200 -0.018 0.000 2.047 190 E HA -0.194 4.156 4.350 0.001 0.000 0.191 190 E C 2.140 178.696 176.600 -0.074 0.000 0.987 190 E CA 0.885 57.265 56.400 -0.033 0.000 0.799 190 E CB -0.056 29.637 29.700 -0.012 0.000 0.752 190 E HN 0.183 nan 8.360 nan 0.000 0.449 191 I N 0.776 121.285 120.570 -0.102 0.000 2.179 191 I HA -0.338 3.832 4.170 0.001 0.000 0.242 191 I C 2.720 178.730 176.117 -0.179 0.000 1.088 191 I CA 0.907 62.129 61.300 -0.129 0.000 1.357 191 I CB -0.326 37.594 38.000 -0.132 0.000 1.051 191 I HN 0.337 nan 8.210 nan 0.000 0.409 192 C N 0.686 119.809 119.300 -0.295 0.000 2.413 192 C HA -0.194 4.266 4.460 0.001 0.000 0.276 192 C C 3.193 178.086 174.990 -0.162 0.000 1.236 192 C CA 1.064 59.893 59.018 -0.316 0.000 1.735 192 C CB -1.302 26.120 27.740 -0.531 0.000 2.031 192 C HN 0.617 nan 8.230 nan 0.000 0.474 193 A N 0.235 122.984 122.820 -0.117 0.000 1.933 193 A HA -0.214 4.107 4.320 0.001 0.000 0.218 193 A C 2.247 179.797 177.584 -0.056 0.000 1.175 193 A CA 1.847 53.850 52.037 -0.056 0.000 0.628 193 A CB -0.606 18.380 19.000 -0.023 0.000 0.814 193 A HN 0.699 nan 8.150 nan 0.000 0.444 194 R N -0.610 119.843 120.500 -0.077 0.000 2.115 194 R HA -0.024 4.316 4.340 0.001 0.000 0.226 194 R C 2.108 178.371 176.300 -0.061 0.000 1.100 194 R CA 1.359 57.415 56.100 -0.075 0.000 0.980 194 R CB -0.559 29.692 30.300 -0.082 0.000 0.875 194 R HN 0.400 nan 8.270 nan 0.000 0.445 195 G N 0.792 109.549 108.800 -0.072 0.000 2.430 195 G HA2 -0.133 3.827 3.960 0.001 0.000 0.216 195 G HA3 -0.133 3.827 3.960 0.001 0.000 0.216 195 G C 1.405 176.283 174.900 -0.036 0.000 1.146 195 G CA 0.172 45.237 45.100 -0.059 0.000 0.793 195 G HN 0.205 nan 8.290 nan 0.000 0.537 196 L N 0.012 121.212 121.223 -0.038 0.000 2.093 196 L HA -0.015 4.325 4.340 0.001 0.000 0.208 196 L C 2.473 179.349 176.870 0.010 0.000 1.085 196 L CA 1.258 56.093 54.840 -0.008 0.000 0.755 196 L CB -0.192 41.864 42.059 -0.006 0.000 0.904 196 L HN 0.151 nan 8.230 nan 0.000 0.435 197 D N -0.447 119.955 120.400 0.003 0.000 2.097 197 D HA -0.174 4.467 4.640 0.001 0.000 0.197 197 D C 2.056 178.364 176.300 0.013 0.000 0.984 197 D CA 0.753 54.763 54.000 0.015 0.000 0.826 197 D CB 0.161 40.969 40.800 0.015 0.000 0.973 197 D HN -0.032 nan 8.370 nan 0.000 0.460 198 L N 0.432 121.655 121.223 -0.000 0.000 2.046 198 L HA 0.011 4.351 4.340 0.001 0.000 0.208 198 L C 0.912 177.791 176.870 0.016 0.000 1.077 198 L CA 1.052 55.893 54.840 0.002 0.000 0.747 198 L CB -1.093 40.957 42.059 -0.015 0.000 0.896 198 L HN -0.078 nan 8.230 nan 0.000 0.432 199 S N 0.233 115.946 115.700 0.023 0.000 2.546 199 S HA 0.018 4.488 4.470 0.001 0.000 0.290 199 S C -1.397 173.225 174.600 0.036 0.000 1.262 199 S CA -0.933 57.298 58.200 0.051 0.000 1.083 199 S CB 0.477 63.715 63.200 0.063 0.000 0.859 199 S HN 0.095 nan 8.310 nan 0.000 0.495 200 P HA -0.018 nan 4.420 nan 0.000 0.225 200 P C 0.961 178.192 177.300 -0.115 0.000 1.148 200 P CA 1.036 64.103 63.100 -0.054 0.000 0.779 200 P CB -0.134 31.502 31.700 -0.107 0.000 0.780 201 T N -5.326 109.187 114.554 -0.067 0.000 3.085 201 T HA 0.176 4.526 4.350 0.001 0.000 0.264 201 T C 0.743 175.466 174.700 0.038 0.000 1.019 201 T CA -0.514 61.549 62.100 -0.062 0.000 0.910 201 T CB -0.401 68.440 68.868 -0.044 0.000 1.059 201 T HN -0.079 nan 8.240 nan 0.000 0.542 202 K N 1.232 121.662 120.400 0.050 0.000 3.278 202 K HA -0.208 4.112 4.320 0.001 0.000 0.270 202 K C -0.725 175.971 176.600 0.159 0.000 0.955 202 K CA 0.661 56.995 56.287 0.078 0.000 0.723 202 K CB -1.289 31.245 32.500 0.057 0.000 1.382 202 K HN 0.842 nan 8.250 nan 0.000 0.461 203 E N 0.720 121.005 120.200 0.141 0.000 2.266 203 E HA 0.559 4.909 4.350 0.001 0.000 0.268 203 E C -0.829 175.777 176.600 0.010 0.000 0.879 203 E CA -0.878 55.596 56.400 0.123 0.000 0.762 203 E CB 1.091 30.913 29.700 0.203 0.000 1.199 203 E HN 0.298 nan 8.360 nan 0.000 0.422 204 L N 3.461 124.632 121.223 -0.086 0.000 2.370 204 L HA 0.547 4.887 4.340 0.001 0.000 0.266 204 L C -1.037 175.781 176.870 -0.086 0.000 1.002 204 L CA -1.202 53.591 54.840 -0.078 0.000 0.818 204 L CB 1.729 43.731 42.059 -0.095 0.000 1.325 204 L HN 0.450 nan 8.230 nan 0.000 0.418 205 L N 3.174 124.365 121.223 -0.054 0.000 2.305 205 L HA 0.612 4.952 4.340 0.001 0.000 0.284 205 L C -1.003 175.851 176.870 -0.028 0.000 1.013 205 L CA 0.057 54.873 54.840 -0.040 0.000 0.819 205 L CB 1.319 43.361 42.059 -0.027 0.000 1.227 205 L HN 0.393 nan 8.230 nan 0.000 0.417 206 I N 4.643 125.208 120.570 -0.008 0.000 2.362 206 I HA 0.417 4.587 4.170 0.001 0.000 0.289 206 I C -0.884 175.233 176.117 0.000 0.000 0.994 206 I CA -0.174 61.142 61.300 0.026 0.000 1.158 206 I CB 1.419 39.482 38.000 0.106 0.000 1.315 206 I HN 0.609 nan 8.210 nan 0.000 0.451 207 D N 4.442 124.833 120.400 -0.014 0.000 2.419 207 D HA 0.352 4.993 4.640 0.001 0.000 0.234 207 D C -0.548 175.717 176.300 -0.059 0.000 1.014 207 D CA -0.803 53.170 54.000 -0.044 0.000 0.919 207 D CB 1.011 41.773 40.800 -0.062 0.000 1.366 207 D HN 0.535 nan 8.370 nan 0.000 0.490 208 E N -0.473 119.679 120.200 -0.080 0.000 2.392 208 E HA 0.256 4.606 4.350 0.001 0.000 0.256 208 E C -0.302 176.230 176.600 -0.114 0.000 1.145 208 E CA -0.684 55.661 56.400 -0.091 0.000 0.929 208 E CB 0.671 30.316 29.700 -0.092 0.000 0.998 208 E HN 0.164 nan 8.360 nan 0.000 0.442 209 S N 0.820 116.459 115.700 -0.101 0.000 2.531 209 S HA 0.143 4.614 4.470 0.001 0.000 0.279 209 S C 0.291 174.765 174.600 -0.211 0.000 1.305 209 S CA -0.583 57.547 58.200 -0.117 0.000 1.058 209 S CB -0.016 63.152 63.200 -0.053 0.000 0.899 209 S HN 0.526 nan 8.310 nan 0.000 0.493 210 L N 5.516 126.567 121.223 -0.288 0.000 3.168 210 L HA 0.397 4.738 4.340 0.001 0.000 0.277 210 L C -0.176 176.527 176.870 -0.278 0.000 1.245 210 L CA -0.278 54.218 54.840 -0.574 0.000 1.035 210 L CB 0.042 41.590 42.059 -0.851 0.000 1.399 210 L HN 0.608 nan 8.230 nan 0.000 0.580 211 I N 1.449 121.965 120.570 -0.090 0.000 2.821 211 I HA -0.064 4.107 4.170 0.001 0.000 0.294 211 I C 1.499 177.688 176.117 0.120 0.000 1.210 211 I CA 1.422 62.737 61.300 0.025 0.000 1.430 211 I CB 0.154 38.185 38.000 0.053 0.000 1.356 211 I HN 0.491 nan 8.210 nan 0.000 0.563 212 G N 4.455 113.344 108.800 0.149 0.000 2.254 212 G HA2 -0.219 3.742 3.960 0.001 0.000 0.225 212 G HA3 -0.219 3.742 3.960 0.001 0.000 0.225 212 G C -0.029 175.082 174.900 0.352 0.000 1.003 212 G CA -0.610 44.607 45.100 0.196 0.000 0.622 212 G HN 0.499 nan 8.290 nan 0.000 0.507 213 W N 2.014 123.346 121.300 0.054 0.000 1.975 213 W HA 0.612 5.272 4.660 0.000 0.000 0.359 213 W C 1.184 177.748 176.519 0.075 0.000 1.363 213 W CA -0.285 57.109 57.345 0.083 0.000 1.376 213 W CB 0.309 29.822 29.460 0.088 0.000 1.231 213 W HN 0.060 nan 8.180 nan 0.000 0.641 214 K N 1.129 121.713 120.400 0.306 0.000 2.126 214 K HA 0.218 4.538 4.320 0.001 0.000 0.257 214 K C -0.484 176.213 176.600 0.162 0.000 1.007 214 K CA -0.494 55.896 56.287 0.172 0.000 0.928 214 K CB 0.947 33.555 32.500 0.181 0.000 1.013 214 K HN 0.360 nan 8.250 nan 0.000 0.473 215 E N 1.598 121.758 120.200 -0.066 0.000 2.234 215 E HA 0.292 4.642 4.350 0.001 0.000 0.266 215 E C -1.662 174.790 176.600 -0.246 0.000 0.877 215 E CA -0.555 55.836 56.400 -0.015 0.000 0.758 215 E CB 0.925 30.629 29.700 0.006 0.000 1.170 215 E HN 0.367 nan 8.360 nan 0.000 0.415 216 Y N 1.127 121.527 120.300 0.168 0.000 2.605 216 Y HA 0.415 4.965 4.550 0.001 0.000 0.343 216 Y C -0.359 175.647 175.900 0.177 0.000 1.036 216 Y CA -0.740 57.454 58.100 0.157 0.000 1.065 216 Y CB 2.207 40.748 38.460 0.135 0.000 1.288 216 Y HN 0.427 nan 8.280 nan 0.000 0.481 217 E N 1.862 122.252 120.200 0.317 0.000 2.383 217 E HA 0.685 5.035 4.350 0.001 0.000 0.275 217 E C -1.604 175.108 176.600 0.186 0.000 0.918 217 E CA -1.074 55.456 56.400 0.217 0.000 0.764 217 E CB 3.218 32.983 29.700 0.107 0.000 1.252 217 E HN 0.464 nan 8.360 nan 0.000 0.449 218 M N 1.634 121.324 119.600 0.152 0.000 2.267 218 M HA 0.266 4.746 4.480 0.001 0.000 0.289 218 M C -1.214 175.113 176.300 0.045 0.000 1.043 218 M CA -0.765 54.585 55.300 0.084 0.000 0.928 218 M CB 2.492 35.133 32.600 0.068 0.000 1.613 218 M HN 0.355 nan 8.290 nan 0.000 0.450 219 E N 3.280 123.483 120.200 0.005 0.000 2.115 219 E HA 0.468 4.819 4.350 0.001 0.000 0.282 219 E C -0.977 175.588 176.600 -0.059 0.000 0.987 219 E CA -0.272 56.115 56.400 -0.022 0.000 0.797 219 E CB 1.815 31.491 29.700 -0.039 0.000 1.086 219 E HN 0.374 nan 8.360 nan 0.000 0.397 220 V N 2.401 122.292 119.914 -0.039 0.000 2.769 220 V HA 0.525 4.645 4.120 0.001 0.000 0.312 220 V C 0.147 176.211 176.094 -0.050 0.000 1.058 220 V CA -0.948 61.323 62.300 -0.049 0.000 0.952 220 V CB 2.101 33.918 31.823 -0.010 0.000 1.019 220 V HN 0.325 nan 8.190 nan 0.000 0.445 221 V N 3.392 123.270 119.914 -0.060 0.000 2.638 221 V HA 0.668 4.788 4.120 0.001 0.000 0.306 221 V C -0.296 175.805 176.094 0.011 0.000 1.052 221 V CA -0.688 61.599 62.300 -0.020 0.000 0.885 221 V CB 1.915 33.723 31.823 -0.025 0.000 0.999 221 V HN 0.951 nan 8.190 nan 0.000 0.424 222 R N 2.528 123.049 120.500 0.034 0.000 2.725 222 R HA 0.671 5.011 4.340 0.001 0.000 0.277 222 R C -1.650 174.683 176.300 0.055 0.000 0.987 222 R CA -0.483 55.641 56.100 0.041 0.000 0.901 222 R CB 2.199 32.518 30.300 0.032 0.000 1.207 222 R HN 0.937 nan 8.270 nan 0.000 0.463 223 D N 1.460 121.896 120.400 0.059 0.000 2.467 223 D HA 0.149 4.789 4.640 0.001 0.000 0.245 223 D C 0.318 176.649 176.300 0.053 0.000 1.038 223 D CA -0.859 53.181 54.000 0.066 0.000 1.038 223 D CB 1.047 41.898 40.800 0.084 0.000 1.278 223 D HN 0.609 nan 8.370 nan 0.000 0.564 224 K N -0.514 119.918 120.400 0.053 0.000 2.280 224 K HA -0.100 4.220 4.320 0.001 0.000 0.202 224 K C 0.438 177.059 176.600 0.036 0.000 1.047 224 K CA 0.972 57.283 56.287 0.040 0.000 0.942 224 K CB -0.384 32.137 32.500 0.035 0.000 0.739 224 K HN 0.119 nan 8.250 nan 0.000 0.457 225 N N 1.126 119.851 118.700 0.042 0.000 2.322 225 N HA -0.046 4.695 4.740 0.001 0.000 0.194 225 N C -0.544 174.988 175.510 0.037 0.000 1.126 225 N CA 0.608 53.681 53.050 0.038 0.000 0.845 225 N CB 0.202 38.715 38.487 0.044 0.000 0.976 225 N HN 0.283 nan 8.380 nan 0.000 0.475 226 D N -0.488 119.934 120.400 0.037 0.000 3.090 226 D HA -0.163 4.477 4.640 0.001 0.000 0.215 226 D C -0.871 175.451 176.300 0.037 0.000 1.140 226 D CA 0.488 54.507 54.000 0.033 0.000 0.937 226 D CB -1.381 39.435 40.800 0.026 0.000 1.108 226 D HN 0.171 nan 8.370 nan 0.000 0.420 227 N N 0.271 118.999 118.700 0.046 0.000 2.520 227 N HA 0.355 5.095 4.740 0.001 0.000 0.273 227 N C -0.373 175.166 175.510 0.047 0.000 1.155 227 N CA 0.142 53.223 53.050 0.052 0.000 0.967 227 N CB 1.378 39.906 38.487 0.068 0.000 1.092 227 N HN 0.293 nan 8.380 nan 0.000 0.457 228 C N 3.556 122.879 119.300 0.038 0.000 2.642 228 C HA 0.682 5.143 4.460 0.001 0.000 0.344 228 C C -0.779 174.216 174.990 0.008 0.000 1.110 228 C CA -0.737 58.295 59.018 0.023 0.000 1.298 228 C CB -0.557 27.194 27.740 0.018 0.000 1.827 228 C HN 0.747 nan 8.230 nan 0.000 0.467 229 I N 3.376 123.934 120.570 -0.019 0.000 2.785 229 I HA 0.690 4.860 4.170 0.001 0.000 0.302 229 I C -0.949 175.104 176.117 -0.106 0.000 1.069 229 I CA -0.840 60.424 61.300 -0.061 0.000 1.045 229 I CB 1.535 39.476 38.000 -0.100 0.000 1.236 229 I HN 0.260 nan 8.210 nan 0.000 0.429 230 I N 4.731 125.238 120.570 -0.105 0.000 2.301 230 I HA 0.152 4.322 4.170 0.001 0.000 0.292 230 I C 1.058 177.055 176.117 -0.199 0.000 1.046 230 I CA -0.281 60.953 61.300 -0.109 0.000 1.282 230 I CB 1.289 39.264 38.000 -0.043 0.000 1.409 230 I HN 0.592 nan 8.210 nan 0.000 0.484 231 V N 5.256 124.999 119.914 -0.285 0.000 2.591 231 V HA -0.063 4.058 4.120 0.001 0.000 0.249 231 V C 0.765 176.728 176.094 -0.219 0.000 1.053 231 V CA 1.011 63.054 62.300 -0.428 0.000 1.068 231 V CB 0.234 31.656 31.823 -0.669 0.000 0.689 231 V HN 0.876 nan 8.190 nan 0.000 0.462 232 C N -0.038 119.197 119.300 -0.108 0.000 3.247 232 C HA 0.551 5.012 4.460 0.001 0.000 0.375 232 C C -0.167 174.840 174.990 0.029 0.000 1.102 232 C CA -0.549 58.453 59.018 -0.026 0.000 1.227 232 C CB 1.102 28.832 27.740 -0.017 0.000 1.586 232 C HN 0.485 nan 8.230 nan 0.000 0.544 233 S N 4.742 120.495 115.700 0.088 0.000 2.549 233 S HA 0.894 5.365 4.470 0.001 0.000 0.297 233 S C -0.926 173.764 174.600 0.149 0.000 1.115 233 S CA -0.611 57.669 58.200 0.134 0.000 1.059 233 S CB 1.260 64.603 63.200 0.238 0.000 1.046 233 S HN 0.727 nan 8.310 nan 0.000 0.506 234 I N 1.136 121.819 120.570 0.187 0.000 2.534 234 I HA 0.392 4.562 4.170 0.001 0.000 0.288 234 I C -0.569 175.670 176.117 0.204 0.000 1.077 234 I CA -0.386 61.014 61.300 0.168 0.000 1.051 234 I CB 2.248 40.316 38.000 0.113 0.000 1.234 234 I HN 0.798 nan 8.210 nan 0.000 0.425 235 E N 6.481 126.777 120.200 0.160 0.000 2.151 235 E HA 0.326 4.677 4.350 0.001 0.000 0.275 235 E C -0.786 175.800 176.600 -0.023 0.000 0.936 235 E CA -0.584 55.797 56.400 -0.031 0.000 0.777 235 E CB 1.188 30.977 29.700 0.147 0.000 1.108 235 E HN 0.539 nan 8.360 nan 0.000 0.401 236 N N 3.882 122.494 118.700 -0.148 0.000 2.530 236 N HA 0.034 4.775 4.740 0.001 0.000 0.273 236 N C 0.176 175.659 175.510 -0.045 0.000 1.173 236 N CA -0.112 52.912 53.050 -0.045 0.000 0.967 236 N CB 0.636 39.096 38.487 -0.046 0.000 1.109 236 N HN 0.524 nan 8.380 nan 0.000 0.453 237 F N 1.751 121.547 119.950 -0.258 0.000 2.118 237 F HA 0.007 4.534 4.527 0.001 0.000 0.293 237 F C 0.592 176.243 175.800 -0.249 0.000 1.102 237 F CA 0.857 58.541 58.000 -0.528 0.000 1.247 237 F CB 0.216 38.914 39.000 -0.502 0.000 1.017 237 F HN 0.388 nan 8.300 nan 0.000 0.475 238 D N 1.887 122.309 120.400 0.037 0.000 2.343 238 D HA 0.280 4.920 4.640 0.001 0.000 0.255 238 D C 0.461 176.750 176.300 -0.018 0.000 1.187 238 D CA 0.344 54.349 54.000 0.010 0.000 0.875 238 D CB 1.221 42.103 40.800 0.137 0.000 1.136 238 D HN 0.324 nan 8.370 nan 0.000 0.469 239 A N 3.598 126.394 122.820 -0.039 0.000 2.307 239 A HA 0.086 4.406 4.320 0.001 0.000 0.271 239 A C 0.843 178.449 177.584 0.037 0.000 1.188 239 A CA -0.304 51.735 52.037 0.004 0.000 0.810 239 A CB 0.198 19.202 19.000 0.007 0.000 1.123 239 A HN 0.534 nan 8.150 nan 0.000 0.509 240 M N 0.050 119.694 119.600 0.074 0.000 2.252 240 M HA 0.280 4.760 4.480 0.001 0.000 0.348 240 M C 1.347 177.671 176.300 0.040 0.000 1.334 240 M CA 1.869 57.205 55.300 0.059 0.000 1.071 240 M CB -0.156 32.495 32.600 0.086 0.000 1.763 240 M HN 1.387 nan 8.290 nan 0.000 0.452 241 G N 3.864 112.679 108.800 0.026 0.000 2.380 241 G HA2 -0.128 3.832 3.960 0.001 0.000 0.197 241 G HA3 -0.128 3.832 3.960 0.001 0.000 0.197 241 G C -0.022 174.919 174.900 0.068 0.000 1.001 241 G CA -0.639 44.484 45.100 0.039 0.000 0.668 241 G HN 0.558 nan 8.290 nan 0.000 0.483 242 I N 2.352 122.969 120.570 0.078 0.000 2.389 242 I HA 0.361 4.531 4.170 0.001 0.000 0.288 242 I C 0.531 176.728 176.117 0.134 0.000 0.999 242 I CA -1.112 60.264 61.300 0.127 0.000 1.129 242 I CB 1.477 39.558 38.000 0.136 0.000 1.288 242 I HN 0.137 nan 8.210 nan 0.000 0.444 243 H N 4.894 124.009 119.070 0.074 0.000 3.038 243 H HA -0.061 4.496 4.556 0.000 0.000 0.338 243 H C 1.135 176.498 175.328 0.058 0.000 1.041 243 H CA 1.210 57.290 56.048 0.053 0.000 1.394 243 H CB 1.261 31.055 29.762 0.052 0.000 1.357 243 H HN 0.860 nan 8.280 nan 0.000 0.600 244 T N 0.702 115.217 114.554 -0.064 0.000 2.803 244 T HA -0.139 4.212 4.350 0.001 0.000 0.269 244 T C 2.138 176.946 174.700 0.180 0.000 1.052 244 T CA 1.085 63.212 62.100 0.045 0.000 1.136 244 T CB -0.571 68.272 68.868 -0.042 0.000 0.864 244 T HN 0.625 nan 8.240 nan 0.000 0.467 245 G N 0.855 109.912 108.800 0.428 0.000 2.443 245 G HA2 -0.064 3.896 3.960 0.001 0.000 0.219 245 G HA3 -0.064 3.896 3.960 0.001 0.000 0.219 245 G C 1.078 176.044 174.900 0.110 0.000 1.131 245 G CA 0.646 45.882 45.100 0.225 0.000 0.775 245 G HN 0.484 nan 8.290 nan 0.000 0.547 246 D N -0.264 120.259 120.400 0.206 0.000 2.363 246 D HA 0.232 4.872 4.640 0.001 0.000 0.214 246 D C 0.649 177.129 176.300 0.299 0.000 1.093 246 D CA 0.005 54.151 54.000 0.244 0.000 0.837 246 D CB 0.683 41.700 40.800 0.361 0.000 0.948 246 D HN 0.096 nan 8.370 nan 0.000 0.507 247 S N -0.181 115.639 115.700 0.201 0.000 2.690 247 S HA 0.480 4.950 4.470 0.001 0.000 0.291 247 S C 0.398 175.074 174.600 0.126 0.000 1.138 247 S CA -0.644 57.659 58.200 0.173 0.000 1.013 247 S CB 1.772 65.047 63.200 0.125 0.000 1.053 247 S HN 0.029 nan 8.310 nan 0.000 0.539 248 I N 2.360 123.002 120.570 0.119 0.000 2.395 248 I HA 0.334 4.504 4.170 0.001 0.000 0.289 248 I C 0.539 176.683 176.117 0.044 0.000 1.023 248 I CA 0.017 61.324 61.300 0.012 0.000 1.350 248 I CB 1.221 39.111 38.000 -0.184 0.000 1.409 248 I HN 0.717 nan 8.210 nan 0.000 0.507 249 T N 3.608 118.174 114.554 0.020 0.000 2.883 249 T HA 0.793 5.143 4.350 0.001 0.000 0.296 249 T C -0.602 174.141 174.700 0.072 0.000 1.117 249 T CA -0.749 61.383 62.100 0.052 0.000 1.006 249 T CB 1.945 70.845 68.868 0.053 0.000 1.191 249 T HN 0.458 nan 8.240 nan 0.000 0.508 250 V N -1.924 118.067 119.914 0.129 0.000 3.078 250 V HA 1.017 5.138 4.120 0.001 0.000 0.311 250 V C -0.682 175.499 176.094 0.145 0.000 1.138 250 V CA -1.159 61.239 62.300 0.162 0.000 1.007 250 V CB 1.262 33.256 31.823 0.284 0.000 1.045 250 V HN 1.611 nan 8.190 nan 0.000 0.432 251 A N 4.103 126.993 122.820 0.117 0.000 2.355 251 A HA 1.055 5.375 4.320 0.001 0.000 0.317 251 A C -2.830 174.790 177.584 0.061 0.000 1.094 251 A CA -1.766 50.324 52.037 0.088 0.000 0.764 251 A CB 1.826 20.863 19.000 0.062 0.000 1.230 251 A HN 0.801 nan 8.150 nan 0.000 0.448 252 P HA 0.537 nan 4.420 nan 0.000 0.321 252 P C -0.005 177.351 177.300 0.094 0.000 1.304 252 P CA -0.365 62.767 63.100 0.053 0.000 0.759 252 P CB 0.696 32.391 31.700 -0.008 0.000 1.385 253 A N 0.218 123.130 122.820 0.153 0.000 2.483 253 A HA 0.096 4.417 4.320 0.001 0.000 0.238 253 A C 1.120 178.715 177.584 0.017 0.000 1.070 253 A CA 0.262 52.425 52.037 0.210 0.000 0.770 253 A CB -0.317 18.875 19.000 0.320 0.000 1.008 253 A HN 0.442 nan 8.150 nan 0.000 0.497 254 Q N 0.237 119.996 119.800 -0.069 0.000 2.462 254 Q HA 0.013 4.353 4.340 0.001 0.000 0.224 254 Q C 1.464 177.159 176.000 -0.509 0.000 0.911 254 Q CA 1.805 57.327 55.803 -0.468 0.000 0.925 254 Q CB -0.154 27.964 28.738 -1.034 0.000 1.063 254 Q HN 0.983 nan 8.270 nan 0.000 0.572 255 T N -1.712 112.679 114.554 -0.272 0.000 3.214 255 T HA 0.466 4.817 4.350 0.001 0.000 0.264 255 T C 0.457 175.105 174.700 -0.088 0.000 1.012 255 T CA -0.158 61.814 62.100 -0.213 0.000 0.901 255 T CB -0.376 68.399 68.868 -0.155 0.000 1.070 255 T HN -0.101 nan 8.240 nan 0.000 0.561 256 L N 2.835 124.001 121.223 -0.096 0.000 2.309 256 L HA 0.493 4.833 4.340 0.001 0.000 0.282 256 L C 0.882 177.693 176.870 -0.099 0.000 1.036 256 L CA -1.057 53.715 54.840 -0.114 0.000 0.806 256 L CB 1.611 43.573 42.059 -0.162 0.000 1.220 256 L HN 0.291 nan 8.230 nan 0.000 0.429 257 T N -2.593 111.907 114.554 -0.090 0.000 2.856 257 T HA -0.015 4.336 4.350 0.001 0.000 0.306 257 T C 0.749 175.412 174.700 -0.061 0.000 1.062 257 T CA -0.463 61.589 62.100 -0.080 0.000 1.083 257 T CB 1.174 70.001 68.868 -0.069 0.000 0.984 257 T HN 0.702 nan 8.240 nan 0.000 0.542 258 D N 0.414 120.773 120.400 -0.069 0.000 2.182 258 D HA -0.115 4.525 4.640 0.001 0.000 0.201 258 D C 1.956 178.252 176.300 -0.007 0.000 0.986 258 D CA 1.341 55.309 54.000 -0.052 0.000 0.847 258 D CB -0.059 40.692 40.800 -0.082 0.000 0.942 258 D HN 0.652 nan 8.370 nan 0.000 0.467 259 K N -0.107 120.275 120.400 -0.031 0.000 2.057 259 K HA -0.141 4.179 4.320 0.001 0.000 0.207 259 K C 2.136 178.709 176.600 -0.046 0.000 1.049 259 K CA 1.379 57.646 56.287 -0.033 0.000 0.931 259 K CB -0.035 32.441 32.500 -0.040 0.000 0.714 259 K HN 0.300 nan 8.250 nan 0.000 0.440 260 E N -0.426 119.736 120.200 -0.062 0.000 2.107 260 E HA -0.194 4.157 4.350 0.001 0.000 0.191 260 E C 1.756 178.272 176.600 -0.140 0.000 0.982 260 E CA 0.850 57.182 56.400 -0.113 0.000 0.809 260 E CB -0.114 29.501 29.700 -0.141 0.000 0.756 260 E HN 0.311 nan 8.360 nan 0.000 0.459 261 Y N 1.814 121.986 120.300 -0.213 0.000 2.224 261 Y HA -0.246 4.305 4.550 0.000 0.000 0.289 261 Y C 2.196 177.980 175.900 -0.193 0.000 1.146 261 Y CA 1.413 59.376 58.100 -0.229 0.000 1.182 261 Y CB 0.204 38.554 38.460 -0.183 0.000 0.983 261 Y HN -0.045 nan 8.280 nan 0.000 0.524 262 Q N 0.208 120.027 119.800 0.031 0.000 2.119 262 Q HA -0.125 4.215 4.340 0.001 0.000 0.201 262 Q C 2.445 178.376 176.000 -0.115 0.000 0.972 262 Q CA 1.711 57.506 55.803 -0.013 0.000 0.847 262 Q CB -0.446 28.301 28.738 0.014 0.000 0.903 262 Q HN 0.607 nan 8.270 nan 0.000 0.433 263 I N 0.316 120.803 120.570 -0.139 0.000 2.226 263 I HA -0.268 3.902 4.170 0.001 0.000 0.245 263 I C 2.487 178.451 176.117 -0.255 0.000 1.100 263 I CA 1.032 62.238 61.300 -0.156 0.000 1.374 263 I CB -0.221 37.692 38.000 -0.145 0.000 1.057 263 I HN 0.209 nan 8.210 nan 0.000 0.413 264 M N 0.362 119.715 119.600 -0.411 0.000 2.175 264 M HA -0.229 4.251 4.480 0.001 0.000 0.264 264 M C 2.477 178.468 176.300 -0.514 0.000 1.063 264 M CA 1.619 56.515 55.300 -0.673 0.000 1.119 264 M CB -0.117 31.965 32.600 -0.864 0.000 1.377 264 M HN 0.085 nan 8.290 nan 0.000 0.415 265 R N 0.183 120.428 120.500 -0.424 0.000 2.066 265 R HA -0.129 4.211 4.340 0.001 0.000 0.232 265 R C 1.610 177.833 176.300 -0.128 0.000 1.131 265 R CA 2.284 58.215 56.100 -0.282 0.000 0.955 265 R CB -0.404 29.760 30.300 -0.226 0.000 0.851 265 R HN 0.547 nan 8.270 nan 0.000 0.432 266 N N -0.085 118.552 118.700 -0.105 0.000 2.166 266 N HA -0.160 4.580 4.740 0.001 0.000 0.186 266 N C 1.762 177.261 175.510 -0.018 0.000 1.019 266 N CA 0.940 53.962 53.050 -0.048 0.000 0.856 266 N CB -0.114 38.346 38.487 -0.044 0.000 0.993 266 N HN 0.305 nan 8.380 nan 0.000 0.426 267 A N 0.931 123.738 122.820 -0.022 0.000 1.898 267 A HA -0.102 4.218 4.320 0.001 0.000 0.216 267 A C 2.344 180.037 177.584 0.181 0.000 1.181 267 A CA 1.404 53.495 52.037 0.089 0.000 0.620 267 A CB -0.572 18.514 19.000 0.142 0.000 0.819 267 A HN 0.196 nan 8.150 nan 0.000 0.442 268 S N 0.164 115.985 115.700 0.202 0.000 2.370 268 S HA -0.215 4.256 4.470 0.001 0.000 0.226 268 S C 1.989 176.645 174.600 0.094 0.000 1.033 268 S CA 1.914 60.238 58.200 0.207 0.000 1.011 268 S CB -0.483 62.822 63.200 0.176 0.000 0.852 268 S HN 0.584 nan 8.310 nan 0.000 0.457 269 M N 1.094 120.723 119.600 0.048 0.000 2.229 269 M HA -0.017 4.463 4.480 0.001 0.000 0.264 269 M C 2.528 178.847 176.300 0.031 0.000 1.063 269 M CA 1.288 56.606 55.300 0.029 0.000 1.114 269 M CB -0.636 31.972 32.600 0.012 0.000 1.387 269 M HN 0.408 nan 8.290 nan 0.000 0.420 270 A N -0.070 122.770 122.820 0.034 0.000 2.015 270 A HA -0.040 4.280 4.320 0.001 0.000 0.219 270 A C 2.226 179.820 177.584 0.017 0.000 1.163 270 A CA 1.126 53.176 52.037 0.022 0.000 0.646 270 A CB -0.721 18.289 19.000 0.017 0.000 0.806 270 A HN 0.296 nan 8.150 nan 0.000 0.448 271 V N -0.514 119.423 119.914 0.039 0.000 2.453 271 V HA -0.187 3.933 4.120 0.001 0.000 0.247 271 V C 2.457 178.573 176.094 0.037 0.000 1.048 271 V CA 1.670 63.987 62.300 0.028 0.000 1.049 271 V CB -0.654 31.212 31.823 0.072 0.000 0.672 271 V HN 0.481 nan 8.190 nan 0.000 0.457 272 L N -0.234 121.015 121.223 0.042 0.000 2.027 272 L HA -0.100 4.240 4.340 0.001 0.000 0.206 272 L C 2.631 179.516 176.870 0.026 0.000 1.074 272 L CA 1.885 56.747 54.840 0.038 0.000 0.745 272 L CB -0.679 41.400 42.059 0.033 0.000 0.898 272 L HN 0.209 nan 8.230 nan 0.000 0.433 273 R N -0.800 119.711 120.500 0.019 0.000 2.096 273 R HA -0.194 4.146 4.340 0.001 0.000 0.235 273 R C 2.145 178.447 176.300 0.004 0.000 1.127 273 R CA 1.291 57.398 56.100 0.012 0.000 0.968 273 R CB -0.312 29.994 30.300 0.010 0.000 0.861 273 R HN 0.269 nan 8.270 nan 0.000 0.440 274 E N 1.186 121.382 120.200 -0.006 0.000 2.107 274 E HA -0.120 4.230 4.350 0.001 0.000 0.191 274 E C 1.577 178.167 176.600 -0.015 0.000 0.982 274 E CA 1.012 57.399 56.400 -0.022 0.000 0.809 274 E CB -0.024 29.644 29.700 -0.054 0.000 0.756 274 E HN 0.097 nan 8.360 nan 0.000 0.459 275 I N -0.013 120.558 120.570 0.002 0.000 2.439 275 I HA 0.099 4.269 4.170 0.001 0.000 0.251 275 I C 1.688 177.819 176.117 0.024 0.000 1.139 275 I CA 1.491 62.806 61.300 0.025 0.000 1.438 275 I CB -0.291 37.751 38.000 0.070 0.000 1.085 275 I HN 0.367 nan 8.210 nan 0.000 0.427 276 G N -0.059 108.753 108.800 0.021 0.000 2.145 276 G HA2 -0.157 3.804 3.960 0.001 0.000 0.176 276 G HA3 -0.157 3.804 3.960 0.001 0.000 0.176 276 G C 0.062 174.976 174.900 0.023 0.000 1.013 276 G CA -0.114 44.998 45.100 0.020 0.000 0.689 276 G HN 0.109 nan 8.290 nan 0.000 0.506 277 V N 0.448 120.378 119.914 0.026 0.000 2.408 277 V HA 0.422 4.542 4.120 0.001 0.000 0.267 277 V C 1.113 177.223 176.094 0.027 0.000 1.047 277 V CA 0.693 63.009 62.300 0.026 0.000 0.937 277 V CB 1.387 33.227 31.823 0.028 0.000 0.999 277 V HN 0.491 nan 8.190 nan 0.000 0.472 278 E N 2.151 122.367 120.200 0.027 0.000 2.514 278 E HA 0.086 4.436 4.350 0.001 0.000 0.215 278 E C 0.462 177.083 176.600 0.036 0.000 0.946 278 E CA 0.369 56.787 56.400 0.029 0.000 1.038 278 E CB 0.898 30.614 29.700 0.026 0.000 1.069 278 E HN 0.818 nan 8.360 nan 0.000 0.503 279 T N -1.535 113.040 114.554 0.036 0.000 3.542 279 T HA 0.682 5.032 4.350 0.001 0.000 0.276 279 T C 0.013 174.741 174.700 0.047 0.000 1.412 279 T CA -0.295 61.832 62.100 0.045 0.000 1.664 279 T CB 0.967 69.860 68.868 0.041 0.000 0.863 279 T HN 0.147 nan 8.240 nan 0.000 0.661 280 G N 0.037 108.866 108.800 0.050 0.000 2.333 280 G HA2 0.575 4.536 3.960 0.001 0.000 0.288 280 G HA3 0.575 4.536 3.960 0.001 0.000 0.288 280 G C -0.515 174.413 174.900 0.047 0.000 1.286 280 G CA -0.240 44.891 45.100 0.052 0.000 0.865 280 G HN 0.713 nan 8.290 nan 0.000 0.506 281 G N -1.084 107.744 108.800 0.047 0.000 2.462 281 G HA2 0.691 4.652 3.960 0.001 0.000 0.319 281 G HA3 0.691 4.652 3.960 0.001 0.000 0.319 281 G C -0.519 174.400 174.900 0.031 0.000 1.171 281 G CA 0.348 45.469 45.100 0.034 0.000 0.920 281 G HN 1.285 nan 8.290 nan 0.000 0.499 282 S N -0.739 114.973 115.700 0.020 0.000 2.552 282 S HA 0.340 4.811 4.470 0.001 0.000 0.272 282 S C -1.069 173.538 174.600 0.011 0.000 1.150 282 S CA -0.890 57.320 58.200 0.017 0.000 0.849 282 S CB 1.816 65.025 63.200 0.016 0.000 1.113 282 S HN 0.833 nan 8.310 nan 0.000 0.458 283 N N 1.547 120.249 118.700 0.003 0.000 2.399 283 N HA 0.577 5.317 4.740 0.001 0.000 0.295 283 N C -1.472 174.021 175.510 -0.029 0.000 1.048 283 N CA -0.255 52.794 53.050 -0.001 0.000 0.886 283 N CB 1.371 39.859 38.487 0.002 0.000 1.185 283 N HN 0.351 nan 8.380 nan 0.000 0.487 284 V N 2.813 122.717 119.914 -0.017 0.000 2.540 284 V HA 0.365 4.485 4.120 0.001 0.000 0.302 284 V C -0.269 175.730 176.094 -0.159 0.000 1.035 284 V CA -0.761 61.479 62.300 -0.099 0.000 0.873 284 V CB 1.574 33.386 31.823 -0.018 0.000 0.992 284 V HN 0.663 nan 8.190 nan 0.000 0.428 285 Q N 3.106 122.701 119.800 -0.341 0.000 2.301 285 Q HA 0.786 5.126 4.340 0.001 0.000 0.267 285 Q C -1.629 174.075 176.000 -0.492 0.000 1.035 285 Q CA -0.435 55.229 55.803 -0.232 0.000 0.856 285 Q CB 2.779 31.426 28.738 -0.152 0.000 1.337 285 Q HN 0.644 nan 8.270 nan 0.000 0.450 286 F N -0.266 119.745 119.950 0.101 0.000 2.643 286 F HA 0.747 5.274 4.527 0.000 0.000 0.314 286 F C -0.589 175.331 175.800 0.199 0.000 1.096 286 F CA -1.039 57.046 58.000 0.141 0.000 0.953 286 F CB 1.766 40.854 39.000 0.146 0.000 1.345 286 F HN 0.549 nan 8.300 nan 0.000 0.468 287 A N 0.951 124.049 122.820 0.464 0.000 2.350 287 A HA 0.878 5.198 4.320 0.001 0.000 0.324 287 A C -1.709 176.232 177.584 0.595 0.000 1.118 287 A CA -0.722 51.607 52.037 0.487 0.000 0.783 287 A CB 1.514 20.751 19.000 0.396 0.000 1.236 287 A HN 0.529 nan 8.150 nan 0.000 0.457 288 V N 2.630 122.866 119.914 0.538 0.000 2.577 288 V HA 0.298 4.418 4.120 0.001 0.000 0.303 288 V C -0.491 175.532 176.094 -0.117 0.000 1.042 288 V CA -0.943 61.510 62.300 0.255 0.000 0.872 288 V CB 1.987 33.951 31.823 0.235 0.000 0.998 288 V HN 0.915 nan 8.190 nan 0.000 0.423 289 N N 7.168 125.440 118.700 -0.714 0.000 2.401 289 N HA 0.243 4.983 4.740 0.001 0.000 0.255 289 N C -1.403 173.803 175.510 -0.506 0.000 1.110 289 N CA -1.916 50.383 53.050 -1.252 0.000 0.949 289 N CB 1.837 39.452 38.487 -1.453 0.000 1.110 289 N HN 0.300 nan 8.380 nan 0.000 0.490 290 P HA -0.137 nan 4.420 nan 0.000 0.221 290 P C 0.541 177.762 177.300 -0.132 0.000 1.145 290 P CA 1.330 64.357 63.100 -0.123 0.000 0.795 290 P CB 0.474 32.166 31.700 -0.013 0.000 0.775 291 K N -0.343 119.946 120.400 -0.184 0.000 2.228 291 K HA -0.036 4.284 4.320 0.001 0.000 0.202 291 K C 0.910 177.438 176.600 -0.121 0.000 1.051 291 K CA 1.281 57.492 56.287 -0.127 0.000 0.960 291 K CB -0.086 32.352 32.500 -0.102 0.000 0.743 291 K HN 0.263 nan 8.250 nan 0.000 0.458 292 N N -2.410 116.193 118.700 -0.162 0.000 2.110 292 N HA 0.093 4.834 4.740 0.001 0.000 0.230 292 N C 0.551 175.992 175.510 -0.115 0.000 1.353 292 N CA 0.340 53.321 53.050 -0.115 0.000 0.807 292 N CB 0.679 39.109 38.487 -0.095 0.000 1.244 292 N HN 0.068 nan 8.380 nan 0.000 0.504 293 G N 0.844 109.558 108.800 -0.143 0.000 2.184 293 G HA2 -0.389 3.572 3.960 0.001 0.000 0.264 293 G HA3 -0.389 3.572 3.960 0.001 0.000 0.264 293 G C 0.046 174.884 174.900 -0.103 0.000 0.975 293 G CA 0.223 45.254 45.100 -0.116 0.000 0.642 293 G HN 0.579 nan 8.290 nan 0.000 0.536 294 R N 0.028 120.452 120.500 -0.127 0.000 2.486 294 R HA 0.246 4.587 4.340 0.001 0.000 0.303 294 R C -0.145 176.201 176.300 0.077 0.000 0.958 294 R CA -0.051 56.032 56.100 -0.029 0.000 1.077 294 R CB -0.003 30.290 30.300 -0.011 0.000 0.921 294 R HN 0.331 nan 8.270 nan 0.000 0.406 295 L N 6.843 128.141 121.223 0.125 0.000 2.282 295 L HA 0.456 4.796 4.340 0.001 0.000 0.288 295 L C -0.751 176.290 176.870 0.285 0.000 1.033 295 L CA -0.152 54.800 54.840 0.188 0.000 0.807 295 L CB 1.251 43.344 42.059 0.056 0.000 1.209 295 L HN 0.523 nan 8.230 nan 0.000 0.423 296 I N 5.850 126.650 120.570 0.383 0.000 2.466 296 I HA 0.311 4.481 4.170 0.001 0.000 0.289 296 I C -0.618 175.678 176.117 0.299 0.000 1.026 296 I CA -0.870 60.609 61.300 0.299 0.000 1.078 296 I CB 2.133 40.280 38.000 0.245 0.000 1.249 296 I HN 0.243 nan 8.210 nan 0.000 0.429 297 V N 6.539 126.567 119.914 0.191 0.000 2.583 297 V HA 0.146 4.267 4.120 0.001 0.000 0.287 297 V C 1.063 177.157 176.094 -0.000 0.000 1.051 297 V CA -0.132 62.166 62.300 -0.005 0.000 1.010 297 V CB 1.794 33.616 31.823 -0.002 0.000 0.988 297 V HN 0.554 nan 8.190 nan 0.000 0.478 298 I N 2.331 122.825 120.570 -0.127 0.000 2.729 298 I HA 0.219 4.390 4.170 0.001 0.000 0.256 298 I C 0.930 176.925 176.117 -0.204 0.000 1.115 298 I CA 0.965 62.198 61.300 -0.111 0.000 1.446 298 I CB -0.274 37.645 38.000 -0.134 0.000 1.176 298 I HN 1.026 nan 8.210 nan 0.000 0.446 299 E N 0.649 120.629 120.200 -0.366 0.000 2.421 299 E HA 0.447 4.798 4.350 0.001 0.000 0.276 299 E C -0.946 175.280 176.600 -0.625 0.000 1.154 299 E CA -0.887 55.023 56.400 -0.818 0.000 0.883 299 E CB 1.362 30.708 29.700 -0.591 0.000 1.429 299 E HN -0.003 nan 8.360 nan 0.000 0.436 300 M N 0.766 119.945 119.600 -0.702 0.000 2.371 300 M HA 0.595 5.075 4.480 0.001 0.000 0.287 300 M C -2.144 174.000 176.300 -0.261 0.000 1.149 300 M CA -0.490 54.635 55.300 -0.293 0.000 0.929 300 M CB 2.418 35.005 32.600 -0.022 0.000 1.683 300 M HN 0.366 nan 8.290 nan 0.000 0.470 301 N N 4.278 122.888 118.700 -0.149 0.000 2.469 301 N HA 0.408 5.148 4.740 0.001 0.000 0.253 301 N C -2.515 172.964 175.510 -0.052 0.000 0.970 301 N CA -1.243 51.742 53.050 -0.108 0.000 0.940 301 N CB 1.662 40.112 38.487 -0.062 0.000 1.128 301 N HN 0.552 nan 8.380 nan 0.000 0.503 302 P HA 0.036 nan 4.420 nan 0.000 0.249 302 P C -0.375 176.926 177.300 0.001 0.000 1.686 302 P CA 0.377 63.466 63.100 -0.018 0.000 0.873 302 P CB -0.139 31.547 31.700 -0.024 0.000 1.828 303 R N -2.361 118.150 120.500 0.018 0.000 2.921 303 R HA 0.510 4.851 4.340 0.001 0.000 0.268 303 R C -0.797 175.554 176.300 0.085 0.000 1.008 303 R CA -1.077 55.053 56.100 0.049 0.000 0.876 303 R CB 0.026 30.353 30.300 0.046 0.000 1.395 303 R HN -0.168 nan 8.270 nan 0.000 0.443 304 V N -0.115 119.881 119.914 0.137 0.000 2.834 304 V HA 0.716 4.837 4.120 0.001 0.000 0.301 304 V C 0.118 176.362 176.094 0.250 0.000 1.066 304 V CA 0.085 62.482 62.300 0.162 0.000 1.052 304 V CB 1.196 33.123 31.823 0.175 0.000 1.021 304 V HN 0.946 nan 8.190 nan 0.000 0.480 305 S N 3.210 118.997 115.700 0.144 0.000 2.900 305 S HA 0.528 4.999 4.470 0.001 0.000 0.320 305 S C 0.815 175.363 174.600 -0.087 0.000 1.130 305 S CA -0.487 57.784 58.200 0.118 0.000 0.863 305 S CB 1.609 64.860 63.200 0.085 0.000 1.295 305 S HN 1.035 nan 8.310 nan 0.000 0.596 306 R N 0.232 120.681 120.500 -0.085 0.000 2.093 306 R HA 0.135 4.476 4.340 0.001 0.000 0.224 306 R C 1.694 177.957 176.300 -0.062 0.000 1.101 306 R CA 1.486 57.496 56.100 -0.150 0.000 0.979 306 R CB -0.999 29.243 30.300 -0.097 0.000 0.877 306 R HN 0.432 nan 8.270 nan 0.000 0.441 307 S N 1.252 116.946 115.700 -0.009 0.000 2.419 307 S HA -0.150 4.320 4.470 0.001 0.000 0.233 307 S C 2.006 176.618 174.600 0.021 0.000 1.016 307 S CA 1.405 59.612 58.200 0.012 0.000 0.974 307 S CB -0.140 63.076 63.200 0.025 0.000 0.786 307 S HN 0.662 nan 8.310 nan 0.000 0.492 308 S N 2.242 117.959 115.700 0.028 0.000 2.368 308 S HA -0.038 4.432 4.470 0.001 0.000 0.225 308 S C 2.064 176.725 174.600 0.102 0.000 1.030 308 S CA 1.031 59.269 58.200 0.062 0.000 0.999 308 S CB -0.585 62.661 63.200 0.076 0.000 0.844 308 S HN 0.482 nan 8.310 nan 0.000 0.459 309 A N 1.887 124.753 122.820 0.078 0.000 1.877 309 A HA 0.088 4.408 4.320 0.001 0.000 0.216 309 A C 2.304 179.880 177.584 -0.014 0.000 1.186 309 A CA 1.637 53.718 52.037 0.074 0.000 0.620 309 A CB -1.005 17.968 19.000 -0.045 0.000 0.822 309 A HN 0.641 nan 8.150 nan 0.000 0.443 310 L N -0.270 120.944 121.223 -0.015 0.000 2.046 310 L HA -0.029 4.312 4.340 0.001 0.000 0.208 310 L C 2.577 179.459 176.870 0.020 0.000 1.077 310 L CA 2.283 57.116 54.840 -0.011 0.000 0.747 310 L CB -0.731 41.328 42.059 -0.001 0.000 0.896 310 L HN 0.316 nan 8.230 nan 0.000 0.432 311 A N -1.243 121.602 122.820 0.043 0.000 1.902 311 A HA -0.166 4.154 4.320 0.001 0.000 0.217 311 A C 2.377 180.025 177.584 0.106 0.000 1.181 311 A CA 1.924 53.995 52.037 0.056 0.000 0.623 311 A CB -0.984 18.038 19.000 0.037 0.000 0.818 311 A HN 0.543 nan 8.150 nan 0.000 0.443 312 S N -0.289 115.503 115.700 0.153 0.000 2.356 312 S HA -0.124 4.346 4.470 0.001 0.000 0.223 312 S C 2.065 176.820 174.600 0.259 0.000 1.032 312 S CA 1.576 59.932 58.200 0.261 0.000 1.005 312 S CB -0.210 63.196 63.200 0.342 0.000 0.867 312 S HN 0.419 nan 8.310 nan 0.000 0.449 313 K N 1.811 122.300 120.400 0.149 0.000 2.148 313 K HA 0.212 4.533 4.320 0.001 0.000 0.204 313 K C 2.060 178.724 176.600 0.107 0.000 1.050 313 K CA 1.079 57.447 56.287 0.134 0.000 0.942 313 K CB -0.925 31.548 32.500 -0.045 0.000 0.724 313 K HN 0.327 nan 8.250 nan 0.000 0.446 314 A N 0.248 123.102 122.820 0.056 0.000 1.969 314 A HA -0.119 4.202 4.320 0.001 0.000 0.218 314 A C 2.078 179.752 177.584 0.150 0.000 1.169 314 A CA 2.268 54.339 52.037 0.057 0.000 0.635 314 A CB -0.559 18.472 19.000 0.052 0.000 0.810 314 A HN 0.469 nan 8.150 nan 0.000 0.445 315 T N -6.003 108.652 114.554 0.169 0.000 3.000 315 T HA 0.433 4.784 4.350 0.001 0.000 0.248 315 T C 1.442 176.299 174.700 0.263 0.000 1.034 315 T CA 1.131 63.346 62.100 0.192 0.000 1.060 315 T CB 0.388 69.356 68.868 0.166 0.000 0.983 315 T HN 1.646 nan 8.240 nan 0.000 0.482 316 G N 1.088 110.089 108.800 0.335 0.000 2.176 316 G HA2 -0.182 3.778 3.960 0.001 0.000 0.232 316 G HA3 -0.182 3.778 3.960 0.001 0.000 0.232 316 G C -0.241 174.936 174.900 0.462 0.000 0.986 316 G CA -0.132 45.214 45.100 0.408 0.000 0.643 316 G HN 0.582 nan 8.290 nan 0.000 0.522 317 F N 3.598 123.712 119.950 0.273 0.000 2.371 317 F HA 0.589 5.116 4.527 0.001 0.000 0.363 317 F C -1.848 174.092 175.800 0.233 0.000 1.122 317 F CA -3.094 55.047 58.000 0.236 0.000 1.129 317 F CB 1.624 40.696 39.000 0.120 0.000 1.173 317 F HN -0.073 nan 8.300 nan 0.000 0.489 318 P HA 0.129 nan 4.420 nan 0.000 0.230 318 P C 1.305 178.795 177.300 0.317 0.000 1.791 318 P CA 0.331 63.604 63.100 0.289 0.000 1.020 318 P CB -0.220 31.558 31.700 0.130 0.000 1.977 319 I N 1.458 122.299 120.570 0.452 0.000 2.103 319 I HA -0.396 3.775 4.170 0.001 0.000 0.241 319 I C 2.361 178.588 176.117 0.183 0.000 1.036 319 I CA 2.228 63.728 61.300 0.333 0.000 1.300 319 I CB -0.870 37.247 38.000 0.195 0.000 1.010 319 I HN 0.172 nan 8.210 nan 0.000 0.406 320 A N -0.033 122.843 122.820 0.092 0.000 1.933 320 A HA -0.248 4.072 4.320 0.001 0.000 0.218 320 A C 2.344 179.924 177.584 -0.006 0.000 1.175 320 A CA 1.905 53.951 52.037 0.016 0.000 0.628 320 A CB -0.484 18.473 19.000 -0.072 0.000 0.814 320 A HN 0.364 nan 8.150 nan 0.000 0.444 321 K N -0.686 119.700 120.400 -0.024 0.000 2.025 321 K HA -0.034 4.286 4.320 0.001 0.000 0.207 321 K C 1.912 178.512 176.600 -0.001 0.000 1.049 321 K CA 1.312 57.578 56.287 -0.036 0.000 0.933 321 K CB -0.260 32.209 32.500 -0.052 0.000 0.714 321 K HN 0.252 nan 8.250 nan 0.000 0.438 322 V N 1.145 121.088 119.914 0.050 0.000 2.295 322 V HA -0.278 3.842 4.120 0.001 0.000 0.246 322 V C 2.275 178.419 176.094 0.084 0.000 1.049 322 V CA 2.113 64.457 62.300 0.075 0.000 1.024 322 V CB -0.614 31.326 31.823 0.195 0.000 0.648 322 V HN 0.423 nan 8.190 nan 0.000 0.447 323 A N -0.166 122.714 122.820 0.099 0.000 1.940 323 A HA -0.155 4.165 4.320 0.001 0.000 0.219 323 A C 2.421 180.034 177.584 0.047 0.000 1.176 323 A CA 2.160 54.244 52.037 0.078 0.000 0.631 323 A CB -0.784 18.260 19.000 0.073 0.000 0.814 323 A HN 0.596 nan 8.150 nan 0.000 0.446 324 A N -0.092 122.742 122.820 0.024 0.000 1.908 324 A HA -0.188 4.132 4.320 0.001 0.000 0.218 324 A C 2.117 179.703 177.584 0.004 0.000 1.181 324 A CA 1.843 53.880 52.037 -0.001 0.000 0.627 324 A CB -0.430 18.559 19.000 -0.018 0.000 0.818 324 A HN 0.563 nan 8.150 nan 0.000 0.445 325 K N -0.946 119.464 120.400 0.015 0.000 2.097 325 K HA -0.035 4.286 4.320 0.001 0.000 0.205 325 K C 1.648 178.356 176.600 0.181 0.000 1.050 325 K CA 0.992 57.314 56.287 0.057 0.000 0.938 325 K CB -0.297 32.135 32.500 -0.114 0.000 0.718 325 K HN 0.288 nan 8.250 nan 0.000 0.442 326 L N 0.897 122.196 121.223 0.126 0.000 2.191 326 L HA -0.101 4.239 4.340 0.001 0.000 0.212 326 L C 2.222 179.153 176.870 0.102 0.000 1.103 326 L CA 1.395 56.319 54.840 0.140 0.000 0.769 326 L CB -0.840 41.282 42.059 0.106 0.000 0.908 326 L HN 0.125 nan 8.230 nan 0.000 0.438 327 A N -0.887 121.971 122.820 0.063 0.000 2.119 327 A HA -0.039 4.282 4.320 0.001 0.000 0.217 327 A C 1.660 179.244 177.584 0.001 0.000 1.153 327 A CA 1.282 53.332 52.037 0.021 0.000 0.692 327 A CB -0.548 18.448 19.000 -0.006 0.000 0.799 327 A HN 0.287 nan 8.150 nan 0.000 0.458 328 V N -4.392 115.537 119.914 0.026 0.000 3.177 328 V HA 0.609 4.729 4.120 0.001 0.000 0.342 328 V C 1.089 177.208 176.094 0.041 0.000 1.379 328 V CA 0.380 62.680 62.300 -0.001 0.000 1.191 328 V CB -0.858 30.873 31.823 -0.154 0.000 1.167 328 V HN 1.211 nan 8.190 nan 0.000 0.471 329 G N -0.659 108.168 108.800 0.044 0.000 2.194 329 G HA2 -0.300 3.660 3.960 0.001 0.000 0.236 329 G HA3 -0.300 3.660 3.960 0.001 0.000 0.236 329 G C -0.077 174.813 174.900 -0.016 0.000 0.987 329 G CA 0.182 45.278 45.100 -0.007 0.000 0.635 329 G HN 0.565 nan 8.290 nan 0.000 0.520 330 Y N 2.044 122.377 120.300 0.056 0.000 2.426 330 Y HA 0.442 4.993 4.550 0.001 0.000 0.344 330 Y C 1.516 177.448 175.900 0.053 0.000 1.256 330 Y CA 1.074 59.209 58.100 0.058 0.000 1.451 330 Y CB 0.791 39.288 38.460 0.063 0.000 1.342 330 Y HN 0.302 nan 8.280 nan 0.000 0.600 331 T N -1.011 113.686 114.554 0.239 0.000 2.885 331 T HA 0.381 4.731 4.350 0.001 0.000 0.285 331 T C 0.816 175.614 174.700 0.163 0.000 1.019 331 T CA -0.922 61.274 62.100 0.160 0.000 1.010 331 T CB 1.074 70.007 68.868 0.108 0.000 1.022 331 T HN 0.631 nan 8.240 nan 0.000 0.466 332 L N 1.122 122.430 121.223 0.142 0.000 2.021 332 L HA -0.183 4.157 4.340 0.001 0.000 0.215 332 L C 2.615 179.565 176.870 0.132 0.000 1.074 332 L CA 2.086 57.016 54.840 0.149 0.000 0.760 332 L CB -0.684 41.474 42.059 0.164 0.000 0.889 332 L HN 0.847 nan 8.230 nan 0.000 0.433 333 D N -0.395 120.075 120.400 0.116 0.000 2.263 333 D HA -0.223 4.417 4.640 0.001 0.000 0.208 333 D C 1.631 177.981 176.300 0.083 0.000 0.971 333 D CA 1.276 55.331 54.000 0.093 0.000 0.867 333 D CB -0.339 40.508 40.800 0.079 0.000 0.929 333 D HN 0.482 nan 8.370 nan 0.000 0.492 334 E N -0.194 120.073 120.200 0.112 0.000 2.230 334 E HA 0.115 4.465 4.350 0.001 0.000 0.192 334 E C 0.646 177.305 176.600 0.097 0.000 0.987 334 E CA 0.001 56.480 56.400 0.132 0.000 0.841 334 E CB 0.307 30.154 29.700 0.245 0.000 0.783 334 E HN 0.314 nan 8.360 nan 0.000 0.481 335 L N 1.585 122.848 121.223 0.066 0.000 2.375 335 L HA 0.216 4.556 4.340 0.001 0.000 0.271 335 L C 0.285 177.143 176.870 -0.020 0.000 1.107 335 L CA -0.412 54.421 54.840 -0.011 0.000 0.806 335 L CB 0.689 42.733 42.059 -0.026 0.000 1.146 335 L HN 0.011 nan 8.230 nan 0.000 0.447 336 M N 1.969 121.535 119.600 -0.056 0.000 2.423 336 M HA 0.205 4.686 4.480 0.001 0.000 0.335 336 M C -0.320 175.918 176.300 -0.104 0.000 1.177 336 M CA -0.662 54.592 55.300 -0.077 0.000 1.038 336 M CB 1.111 33.666 32.600 -0.075 0.000 1.641 336 M HN 0.391 nan 8.290 nan 0.000 0.455 337 N N 1.979 120.594 118.700 -0.141 0.000 2.415 337 N HA 0.020 4.761 4.740 0.001 0.000 0.250 337 N C 0.435 175.859 175.510 -0.144 0.000 1.127 337 N CA 0.318 53.272 53.050 -0.159 0.000 0.945 337 N CB 0.346 38.689 38.487 -0.240 0.000 1.196 337 N HN 0.424 nan 8.380 nan 0.000 0.499 338 D N 2.740 123.077 120.400 -0.105 0.000 2.230 338 D HA -0.282 4.358 4.640 0.001 0.000 0.189 338 D C 1.811 178.026 176.300 -0.141 0.000 1.006 338 D CA 2.159 56.117 54.000 -0.069 0.000 0.853 338 D CB -0.177 40.655 40.800 0.053 0.000 0.959 338 D HN 0.783 nan 8.370 nan 0.000 0.449 339 I N -0.964 119.483 120.570 -0.205 0.000 2.226 339 I HA -0.149 4.021 4.170 0.001 0.000 0.245 339 I C 1.163 177.205 176.117 -0.126 0.000 1.100 339 I CA 1.731 62.895 61.300 -0.228 0.000 1.374 339 I CB -0.925 36.883 38.000 -0.321 0.000 1.057 339 I HN 0.005 nan 8.210 nan 0.000 0.413 340 T N -0.428 114.055 114.554 -0.118 0.000 3.607 340 T HA 0.447 4.798 4.350 0.001 0.000 0.225 340 T C 1.214 175.836 174.700 -0.130 0.000 0.904 340 T CA 0.019 62.051 62.100 -0.112 0.000 0.962 340 T CB -0.876 67.883 68.868 -0.183 0.000 1.221 340 T HN 0.701 nan 8.240 nan 0.000 0.641 341 G N 1.005 109.746 108.800 -0.098 0.000 2.447 341 G HA2 -0.012 3.949 3.960 0.001 0.000 0.293 341 G HA3 -0.012 3.949 3.960 0.001 0.000 0.293 341 G C 1.234 176.081 174.900 -0.088 0.000 0.894 341 G CA 0.113 45.166 45.100 -0.079 0.000 1.066 341 G HN 1.944 nan 8.290 nan 0.000 0.503 342 G N -1.280 107.454 108.800 -0.110 0.000 2.180 342 G HA2 -0.393 3.567 3.960 0.001 0.000 0.263 342 G HA3 -0.393 3.567 3.960 0.001 0.000 0.263 342 G C 1.263 176.085 174.900 -0.130 0.000 0.989 342 G CA 1.332 46.367 45.100 -0.108 0.000 0.692 342 G HN 0.865 nan 8.290 nan 0.000 0.526 343 R N -0.092 120.306 120.500 -0.170 0.000 2.073 343 R HA 0.122 4.463 4.340 0.001 0.000 0.229 343 R C 1.923 178.058 176.300 -0.274 0.000 1.120 343 R CA 1.571 57.554 56.100 -0.195 0.000 0.967 343 R CB -0.168 30.009 30.300 -0.204 0.000 0.862 343 R HN 0.605 nan 8.270 nan 0.000 0.436 344 T N -0.388 113.936 114.554 -0.384 0.000 2.925 344 T HA 0.436 4.787 4.350 0.001 0.000 0.285 344 T C -2.603 171.912 174.700 -0.308 0.000 1.021 344 T CA -2.589 59.235 62.100 -0.459 0.000 1.042 344 T CB 2.308 70.684 68.868 -0.820 0.000 1.037 344 T HN -0.191 nan 8.240 nan 0.000 0.481 345 P HA 0.342 nan 4.420 nan 0.000 0.286 345 P C 0.215 177.525 177.300 0.016 0.000 1.293 345 P CA -0.456 62.600 63.100 -0.073 0.000 0.770 345 P CB 0.350 32.053 31.700 0.004 0.000 1.206 346 A N -0.477 122.416 122.820 0.122 0.000 2.238 346 A HA 0.063 4.384 4.320 0.001 0.000 0.210 346 A C 1.070 178.938 177.584 0.474 0.000 1.179 346 A CA 0.425 52.614 52.037 0.253 0.000 0.827 346 A CB -1.068 17.974 19.000 0.070 0.000 0.856 346 A HN 0.521 nan 8.150 nan 0.000 0.488 347 S N 0.984 116.895 115.700 0.352 0.000 4.139 347 S HA 0.529 4.999 4.470 0.001 0.000 0.215 347 S C -0.332 174.518 174.600 0.417 0.000 1.390 347 S CA -0.530 57.855 58.200 0.309 0.000 0.885 347 S CB -1.348 61.964 63.200 0.187 0.000 1.560 347 S HN 0.854 nan 8.310 nan 0.000 0.449 348 F N -1.804 118.246 119.950 0.167 0.000 2.741 348 F HA 0.675 5.202 4.527 0.001 0.000 0.313 348 F C -1.301 174.585 175.800 0.143 0.000 1.153 348 F CA -1.464 56.619 58.000 0.139 0.000 0.931 348 F CB 0.702 39.780 39.000 0.129 0.000 1.335 348 F HN 0.172 nan 8.300 nan 0.000 0.460 349 E N 2.518 122.610 120.200 -0.180 0.000 2.151 349 E HA 0.438 4.788 4.350 0.001 0.000 0.275 349 E C -2.605 173.819 176.600 -0.294 0.000 0.936 349 E CA -1.968 54.242 56.400 -0.317 0.000 0.777 349 E CB 1.608 31.256 29.700 -0.088 0.000 1.108 349 E HN 0.320 nan 8.360 nan 0.000 0.401 350 P HA 0.016 nan 4.420 nan 0.000 0.269 350 P C -0.837 176.477 177.300 0.024 0.000 1.215 350 P CA -0.149 62.916 63.100 -0.060 0.000 0.780 350 P CB 0.803 32.489 31.700 -0.024 0.000 0.898 351 S N 1.404 117.160 115.700 0.094 0.000 2.557 351 S HA 0.724 5.194 4.470 0.001 0.000 0.291 351 S C -0.612 173.954 174.600 -0.056 0.000 1.116 351 S CA -0.778 57.424 58.200 0.003 0.000 0.992 351 S CB -0.026 63.187 63.200 0.022 0.000 1.028 351 S HN 0.363 nan 8.310 nan 0.000 0.484 352 I N 1.739 122.195 120.570 -0.191 0.000 2.646 352 I HA 0.686 4.857 4.170 0.001 0.000 0.299 352 I C -0.849 175.013 176.117 -0.425 0.000 1.036 352 I CA -0.900 60.135 61.300 -0.442 0.000 1.074 352 I CB 2.250 39.768 38.000 -0.805 0.000 1.258 352 I HN 0.529 nan 8.210 nan 0.000 0.430 353 D N 4.884 125.022 120.400 -0.437 0.000 3.035 353 D HA 0.288 4.928 4.640 0.001 0.000 0.290 353 D C -0.666 175.635 176.300 0.001 0.000 1.360 353 D CA -0.154 53.761 54.000 -0.142 0.000 0.862 353 D CB -0.234 40.581 40.800 0.025 0.000 1.078 353 D HN 0.701 nan 8.370 nan 0.000 0.487 354 Y N -3.408 116.892 120.300 -0.001 0.000 2.818 354 Y HA 0.645 5.196 4.550 0.000 0.000 0.341 354 Y C -1.684 174.190 175.900 -0.044 0.000 1.283 354 Y CA -1.677 56.401 58.100 -0.037 0.000 1.075 354 Y CB 0.656 39.002 38.460 -0.191 0.000 1.370 354 Y HN -0.199 nan 8.280 nan 0.000 0.448 355 V N 1.895 121.938 119.914 0.214 0.000 2.495 355 V HA 0.663 4.784 4.120 0.001 0.000 0.298 355 V C -0.707 175.483 176.094 0.161 0.000 1.031 355 V CA -0.889 61.507 62.300 0.159 0.000 0.871 355 V CB 1.574 33.502 31.823 0.175 0.000 0.988 355 V HN 0.682 nan 8.190 nan 0.000 0.432 356 V N 3.559 123.555 119.914 0.137 0.000 2.483 356 V HA 0.602 4.722 4.120 0.001 0.000 0.295 356 V C 0.183 176.321 176.094 0.072 0.000 1.035 356 V CA -0.175 62.171 62.300 0.077 0.000 0.896 356 V CB 2.023 33.887 31.823 0.069 0.000 0.986 356 V HN 0.973 nan 8.190 nan 0.000 0.447 357 T N 5.028 119.610 114.554 0.046 0.000 2.876 357 T HA 0.484 4.835 4.350 0.001 0.000 0.289 357 T C -0.711 174.001 174.700 0.020 0.000 1.014 357 T CA -0.696 61.427 62.100 0.039 0.000 0.986 357 T CB 1.639 70.518 68.868 0.018 0.000 1.021 357 T HN 0.636 nan 8.240 nan 0.000 0.458 358 K N 3.719 124.123 120.400 0.007 0.000 2.397 358 K HA 0.572 4.892 4.320 0.001 0.000 0.253 358 K C -1.632 174.954 176.600 -0.023 0.000 0.932 358 K CA -0.658 55.632 56.287 0.005 0.000 0.795 358 K CB 1.208 33.720 32.500 0.019 0.000 1.159 358 K HN 0.641 nan 8.250 nan 0.000 0.424 359 I N 5.649 126.206 120.570 -0.020 0.000 2.498 359 I HA 0.339 4.509 4.170 0.001 0.000 0.290 359 I C -2.267 173.846 176.117 -0.008 0.000 1.032 359 I CA -2.518 58.769 61.300 -0.023 0.000 1.073 359 I CB 2.368 40.338 38.000 -0.050 0.000 1.251 359 I HN 0.433 nan 8.210 nan 0.000 0.426 360 P HA 0.266 nan 4.420 nan 0.000 0.276 360 P C -1.014 176.194 177.300 -0.154 0.000 1.252 360 P CA -0.630 62.376 63.100 -0.157 0.000 0.802 360 P CB 0.845 32.349 31.700 -0.327 0.000 1.035 361 R N 1.171 121.488 120.500 -0.305 0.000 2.437 361 R HA 0.604 4.944 4.340 0.001 0.000 0.310 361 R C -1.214 174.889 176.300 -0.329 0.000 0.955 361 R CA -0.504 55.504 56.100 -0.152 0.000 0.851 361 R CB -0.286 29.966 30.300 -0.080 0.000 1.161 361 R HN 0.279 nan 8.270 nan 0.000 0.446 362 F N 1.555 121.500 119.950 -0.007 0.000 2.585 362 F HA 0.494 5.022 4.527 0.001 0.000 0.350 362 F C 0.630 176.355 175.800 -0.124 0.000 1.074 362 F CA -0.830 57.088 58.000 -0.137 0.000 1.032 362 F CB 1.560 40.436 39.000 -0.207 0.000 1.330 362 F HN 0.532 nan 8.300 nan 0.000 0.495 363 N N -0.443 118.249 118.700 -0.014 0.000 2.620 363 N HA 0.209 4.950 4.740 0.001 0.000 0.277 363 N C -0.054 175.495 175.510 0.064 0.000 1.726 363 N CA 0.048 53.119 53.050 0.035 0.000 0.840 363 N CB 0.151 38.684 38.487 0.076 0.000 1.379 363 N HN 0.341 nan 8.380 nan 0.000 0.506 364 F N 1.351 121.397 119.950 0.160 0.000 2.407 364 F HA -0.088 4.440 4.527 0.001 0.000 0.299 364 F C 2.678 178.488 175.800 0.016 0.000 1.097 364 F CA 0.795 58.845 58.000 0.084 0.000 1.422 364 F CB 0.146 39.163 39.000 0.029 0.000 1.067 364 F HN 0.358 nan 8.300 nan 0.000 0.539 365 E N 1.035 121.323 120.200 0.146 0.000 2.338 365 E HA -0.196 4.155 4.350 0.001 0.000 0.197 365 E C 1.308 177.853 176.600 -0.091 0.000 1.007 365 E CA 1.092 57.512 56.400 0.034 0.000 0.849 365 E CB -0.535 29.175 29.700 0.017 0.000 0.774 365 E HN 0.392 nan 8.360 nan 0.000 0.506 366 K N -0.147 120.103 120.400 -0.250 0.000 2.361 366 K HA 0.098 4.418 4.320 0.001 0.000 0.196 366 K C -0.110 175.968 176.600 -0.870 0.000 1.039 366 K CA 0.228 56.146 56.287 -0.615 0.000 1.001 366 K CB 0.212 32.154 32.500 -0.931 0.000 0.795 366 K HN 0.072 nan 8.250 nan 0.000 0.495 367 F N 0.358 120.271 119.950 -0.062 0.000 2.449 367 F HA 0.333 4.861 4.527 0.000 0.000 0.329 367 F C 1.144 176.925 175.800 -0.032 0.000 1.245 367 F CA -0.891 57.059 58.000 -0.082 0.000 1.193 367 F CB 0.514 39.292 39.000 -0.369 0.000 1.425 367 F HN -0.122 nan 8.300 nan 0.000 0.544 368 A N 1.538 124.415 122.820 0.094 0.000 1.896 368 A HA -0.189 4.132 4.320 0.001 0.000 0.220 368 A C 2.358 179.987 177.584 0.074 0.000 1.206 368 A CA 2.234 54.316 52.037 0.075 0.000 0.647 368 A CB -1.110 17.930 19.000 0.066 0.000 0.828 368 A HN 0.714 nan 8.150 nan 0.000 0.455 369 G N -1.374 107.480 108.800 0.091 0.000 3.233 369 G HA2 0.450 4.411 3.960 0.001 0.000 0.227 369 G HA3 0.450 4.411 3.960 0.001 0.000 0.227 369 G C 0.429 175.378 174.900 0.082 0.000 1.175 369 G CA 0.598 45.740 45.100 0.070 0.000 0.781 369 G HN 0.828 nan 8.290 nan 0.000 0.542 370 A N 0.644 123.526 122.820 0.104 0.000 2.388 370 A HA 0.425 4.745 4.320 0.001 0.000 0.257 370 A C 0.522 178.134 177.584 0.046 0.000 1.095 370 A CA -0.599 51.511 52.037 0.122 0.000 0.791 370 A CB 0.364 19.415 19.000 0.085 0.000 1.029 370 A HN 0.262 nan 8.150 nan 0.000 0.489 371 N N 1.421 120.164 118.700 0.072 0.000 2.468 371 N HA 0.000 4.740 4.740 0.001 0.000 0.265 371 N C -0.681 174.755 175.510 -0.123 0.000 1.199 371 N CA 0.328 53.371 53.050 -0.011 0.000 0.928 371 N CB 0.799 39.309 38.487 0.038 0.000 1.059 371 N HN 0.596 nan 8.380 nan 0.000 0.467 372 D N 1.968 122.152 120.400 -0.360 0.000 2.670 372 D HA 0.144 4.784 4.640 0.001 0.000 0.255 372 D C -0.210 175.692 176.300 -0.663 0.000 1.286 372 D CA -0.355 53.076 54.000 -0.948 0.000 0.830 372 D CB 0.183 40.261 40.800 -1.205 0.000 1.065 372 D HN 0.189 nan 8.370 nan 0.000 0.486 373 R N 0.604 120.940 120.500 -0.274 0.000 2.486 373 R HA 0.465 4.806 4.340 0.001 0.000 0.286 373 R C 0.317 176.607 176.300 -0.017 0.000 0.999 373 R CA -0.751 55.261 56.100 -0.147 0.000 0.993 373 R CB 1.468 31.721 30.300 -0.078 0.000 1.084 373 R HN 0.177 nan 8.270 nan 0.000 0.487 374 L N 0.933 122.173 121.223 0.027 0.000 2.426 374 L HA 0.296 4.636 4.340 0.001 0.000 0.271 374 L C 1.243 178.196 176.870 0.138 0.000 1.169 374 L CA 0.199 55.123 54.840 0.140 0.000 0.836 374 L CB 0.681 42.839 42.059 0.164 0.000 1.112 374 L HN 0.639 nan 8.230 nan 0.000 0.465 375 T N -1.312 113.343 114.554 0.168 0.000 2.587 375 T HA 0.183 4.533 4.350 0.001 0.000 0.282 375 T C 0.876 175.667 174.700 0.152 0.000 1.018 375 T CA 0.345 62.530 62.100 0.141 0.000 1.120 375 T CB 1.105 70.044 68.868 0.120 0.000 1.538 375 T HN 0.721 nan 8.240 nan 0.000 0.480 376 T N -0.405 114.221 114.554 0.119 0.000 3.113 376 T HA 0.202 4.552 4.350 0.001 0.000 0.256 376 T C 0.684 175.488 174.700 0.174 0.000 1.131 376 T CA 0.329 62.517 62.100 0.147 0.000 1.074 376 T CB -0.113 68.801 68.868 0.077 0.000 0.944 376 T HN 0.503 nan 8.240 nan 0.000 0.516 377 Q N 1.287 121.138 119.800 0.085 0.000 2.340 377 Q HA 0.407 4.748 4.340 0.001 0.000 0.259 377 Q C -0.597 175.369 176.000 -0.056 0.000 0.964 377 Q CA -0.580 55.219 55.803 -0.007 0.000 0.900 377 Q CB 0.910 29.630 28.738 -0.030 0.000 1.228 377 Q HN 0.406 nan 8.270 nan 0.000 0.449 378 M N 3.586 123.037 119.600 -0.247 0.000 2.248 378 M HA -0.073 4.408 4.480 0.001 0.000 0.343 378 M C 0.483 176.727 176.300 -0.092 0.000 1.243 378 M CA 1.357 56.521 55.300 -0.226 0.000 1.025 378 M CB 0.446 32.798 32.600 -0.414 0.000 1.759 378 M HN 0.572 nan 8.290 nan 0.000 0.452 379 K N 0.367 120.812 120.400 0.075 0.000 2.477 379 K HA 0.117 4.437 4.320 0.001 0.000 0.208 379 K C 0.126 176.776 176.600 0.084 0.000 1.117 379 K CA -0.116 56.269 56.287 0.165 0.000 1.039 379 K CB 0.799 33.639 32.500 0.567 0.000 0.937 379 K HN 0.769 nan 8.250 nan 0.000 0.570 380 S N 0.131 115.748 115.700 -0.138 0.000 2.617 380 S HA 0.155 4.625 4.470 0.001 0.000 0.269 380 S C 1.169 175.600 174.600 -0.281 0.000 1.292 380 S CA -0.670 57.221 58.200 -0.515 0.000 1.010 380 S CB 1.646 64.253 63.200 -0.988 0.000 0.944 380 S HN 0.018 nan 8.310 nan 0.000 0.536 381 V N -1.515 118.234 119.914 -0.276 0.000 3.621 381 V HA 0.652 4.772 4.120 0.001 0.000 0.263 381 V C 0.763 176.783 176.094 -0.125 0.000 1.272 381 V CA 0.870 63.086 62.300 -0.141 0.000 1.080 381 V CB -0.618 31.169 31.823 -0.060 0.000 0.816 381 V HN 1.209 nan 8.190 nan 0.000 0.451 382 G N 0.443 109.142 108.800 -0.168 0.000 2.490 382 G HA2 0.620 4.581 3.960 0.001 0.000 0.308 382 G HA3 0.620 4.581 3.960 0.001 0.000 0.308 382 G C -1.701 173.121 174.900 -0.129 0.000 1.286 382 G CA -0.032 44.999 45.100 -0.114 0.000 0.825 382 G HN 0.723 nan 8.290 nan 0.000 0.479 383 E N -1.968 118.186 120.200 -0.078 0.000 2.407 383 E HA 0.636 4.987 4.350 0.001 0.000 0.279 383 E C -2.079 174.512 176.600 -0.015 0.000 1.012 383 E CA -0.923 55.441 56.400 -0.059 0.000 0.800 383 E CB 2.330 31.996 29.700 -0.057 0.000 1.276 383 E HN 0.722 nan 8.360 nan 0.000 0.452 384 V N 2.103 122.021 119.914 0.007 0.000 2.864 384 V HA 0.676 4.796 4.120 0.001 0.000 0.314 384 V C -0.805 175.339 176.094 0.083 0.000 1.073 384 V CA -0.744 61.581 62.300 0.042 0.000 0.956 384 V CB 1.904 33.746 31.823 0.031 0.000 1.023 384 V HN 0.823 nan 8.190 nan 0.000 0.435 385 M N 5.073 124.784 119.600 0.185 0.000 2.530 385 M HA 0.882 5.363 4.480 0.001 0.000 0.307 385 M C -1.220 175.283 176.300 0.337 0.000 1.161 385 M CA -0.475 54.967 55.300 0.237 0.000 0.903 385 M CB 2.091 34.837 32.600 0.244 0.000 1.711 385 M HN 0.815 nan 8.290 nan 0.000 0.451 386 A N 4.117 127.044 122.820 0.178 0.000 2.572 386 A HA 0.843 5.163 4.320 0.001 0.000 0.295 386 A C -1.746 175.848 177.584 0.018 0.000 1.072 386 A CA -0.728 51.406 52.037 0.162 0.000 0.691 386 A CB 1.545 20.608 19.000 0.104 0.000 1.291 386 A HN 0.855 nan 8.150 nan 0.000 0.404 387 I N 0.728 121.269 120.570 -0.048 0.000 2.509 387 I HA 0.731 4.901 4.170 0.001 0.000 0.293 387 I C 0.456 176.442 176.117 -0.217 0.000 1.020 387 I CA -0.605 60.512 61.300 -0.305 0.000 1.088 387 I CB 2.526 40.024 38.000 -0.836 0.000 1.267 387 I HN 0.851 nan 8.210 nan 0.000 0.430 388 G N 3.496 112.203 108.800 -0.154 0.000 2.704 388 G HA2 0.353 4.313 3.960 0.001 0.000 0.293 388 G HA3 0.353 4.313 3.960 0.001 0.000 0.293 388 G C -0.003 174.970 174.900 0.122 0.000 1.421 388 G CA -0.576 44.556 45.100 0.052 0.000 0.870 388 G HN 0.469 nan 8.290 nan 0.000 0.492 389 R N -0.697 119.940 120.500 0.228 0.000 2.237 389 R HA 0.026 4.366 4.340 0.001 0.000 0.219 389 R C 1.028 177.431 176.300 0.172 0.000 1.080 389 R CA 1.394 57.636 56.100 0.236 0.000 0.995 389 R CB -0.214 30.226 30.300 0.233 0.000 0.875 389 R HN 0.720 nan 8.270 nan 0.000 0.462 390 T N -4.512 110.130 114.554 0.146 0.000 2.883 390 T HA 0.200 4.551 4.350 0.001 0.000 0.296 390 T C 0.690 175.468 174.700 0.131 0.000 1.117 390 T CA -0.909 61.270 62.100 0.131 0.000 1.006 390 T CB 2.287 71.214 68.868 0.099 0.000 1.191 390 T HN -0.215 nan 8.240 nan 0.000 0.508 391 Q N 0.574 120.468 119.800 0.156 0.000 2.061 391 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 391 Q C 2.270 178.329 176.000 0.099 0.000 0.984 391 Q CA 2.186 58.096 55.803 0.178 0.000 0.846 391 Q CB -0.566 28.315 28.738 0.238 0.000 0.902 391 Q HN 0.808 nan 8.270 nan 0.000 0.421 392 Q N -0.260 119.565 119.800 0.041 0.000 2.061 392 Q HA -0.224 4.116 4.340 0.001 0.000 0.204 392 Q C 2.023 178.016 176.000 -0.011 0.000 0.984 392 Q CA 1.814 57.619 55.803 0.004 0.000 0.846 392 Q CB -0.156 28.565 28.738 -0.029 0.000 0.902 392 Q HN 0.578 nan 8.270 nan 0.000 0.421 393 E N -0.506 119.704 120.200 0.017 0.000 2.106 393 E HA -0.191 4.159 4.350 0.001 0.000 0.192 393 E C 1.990 178.609 176.600 0.032 0.000 0.984 393 E CA 1.193 57.607 56.400 0.023 0.000 0.806 393 E CB -0.074 29.672 29.700 0.077 0.000 0.750 393 E HN 0.161 nan 8.360 nan 0.000 0.458 394 S N -0.123 115.608 115.700 0.052 0.000 2.356 394 S HA -0.153 4.318 4.470 0.001 0.000 0.223 394 S C 1.922 176.530 174.600 0.012 0.000 1.032 394 S CA 1.106 59.334 58.200 0.046 0.000 1.005 394 S CB -0.325 62.919 63.200 0.074 0.000 0.867 394 S HN 0.348 nan 8.310 nan 0.000 0.449 395 L N 1.994 123.217 121.223 0.000 0.000 1.994 395 L HA -0.069 4.271 4.340 0.001 0.000 0.208 395 L C 2.501 179.289 176.870 -0.135 0.000 1.071 395 L CA 1.970 56.769 54.840 -0.067 0.000 0.745 395 L CB -1.014 41.026 42.059 -0.031 0.000 0.892 395 L HN 0.364 nan 8.230 nan 0.000 0.431 396 Q N -0.442 119.282 119.800 -0.126 0.000 2.096 396 Q HA -0.262 4.079 4.340 0.001 0.000 0.204 396 Q C 2.221 178.149 176.000 -0.120 0.000 0.982 396 Q CA 1.978 57.669 55.803 -0.187 0.000 0.850 396 Q CB -0.187 28.423 28.738 -0.213 0.000 0.901 396 Q HN 0.579 nan 8.270 nan 0.000 0.422 397 K N 0.345 120.715 120.400 -0.050 0.000 2.097 397 K HA -0.097 4.223 4.320 0.001 0.000 0.206 397 K C 2.107 178.706 176.600 -0.002 0.000 1.049 397 K CA 1.054 57.343 56.287 0.003 0.000 0.933 397 K CB -0.150 32.386 32.500 0.060 0.000 0.717 397 K HN 0.128 nan 8.250 nan 0.000 0.442 398 A N 1.514 124.320 122.820 -0.024 0.000 1.902 398 A HA -0.146 4.175 4.320 0.001 0.000 0.217 398 A C 2.121 179.676 177.584 -0.048 0.000 1.181 398 A CA 1.253 53.276 52.037 -0.022 0.000 0.623 398 A CB -0.670 18.303 19.000 -0.044 0.000 0.818 398 A HN 0.157 nan 8.150 nan 0.000 0.443 399 L N -0.372 120.778 121.223 -0.122 0.000 2.042 399 L HA -0.242 4.099 4.340 0.001 0.000 0.210 399 L C 2.805 179.672 176.870 -0.006 0.000 1.076 399 L CA 2.004 56.773 54.840 -0.118 0.000 0.749 399 L CB -0.468 41.407 42.059 -0.308 0.000 0.893 399 L HN 0.609 nan 8.230 nan 0.000 0.432 400 R N -0.260 120.226 120.500 -0.024 0.000 2.275 400 R HA 0.029 4.370 4.340 0.001 0.000 0.199 400 R C 1.857 178.168 176.300 0.018 0.000 0.989 400 R CA 0.940 57.046 56.100 0.009 0.000 1.016 400 R CB -0.495 29.809 30.300 0.007 0.000 0.918 400 R HN 0.209 nan 8.270 nan 0.000 0.473 401 G N 0.969 109.780 108.800 0.018 0.000 2.838 401 G HA2 -0.074 3.886 3.960 0.001 0.000 0.210 401 G HA3 -0.074 3.886 3.960 0.001 0.000 0.210 401 G C 1.146 176.057 174.900 0.018 0.000 1.153 401 G CA -0.285 44.826 45.100 0.019 0.000 0.778 401 G HN 0.190 nan 8.290 nan 0.000 0.539 402 L N 0.779 122.023 121.223 0.035 0.000 2.191 402 L HA 0.028 4.369 4.340 0.001 0.000 0.212 402 L C 1.280 178.177 176.870 0.045 0.000 1.103 402 L CA 1.358 56.231 54.840 0.055 0.000 0.769 402 L CB -0.190 41.936 42.059 0.111 0.000 0.908 402 L HN 0.415 nan 8.230 nan 0.000 0.438 403 E N -1.473 118.745 120.200 0.029 0.000 2.553 403 E HA -0.185 4.165 4.350 0.001 0.000 0.264 403 E C 0.725 177.328 176.600 0.004 0.000 1.068 403 E CA 0.765 57.169 56.400 0.007 0.000 0.774 403 E CB -2.518 27.176 29.700 -0.010 0.000 1.349 403 E HN 0.512 nan 8.360 nan 0.000 0.404 404 V N -3.692 116.230 119.914 0.012 0.000 3.427 404 V HA 0.584 4.705 4.120 0.001 0.000 0.305 404 V C 1.290 177.336 176.094 -0.080 0.000 1.412 404 V CA 0.790 63.076 62.300 -0.024 0.000 1.086 404 V CB 0.675 32.495 31.823 -0.004 0.000 0.964 404 V HN 0.626 nan 8.190 nan 0.000 0.439 405 G N -0.027 108.739 108.800 -0.056 0.000 2.141 405 G HA2 -0.004 3.957 3.960 0.001 0.000 0.231 405 G HA3 -0.004 3.957 3.960 0.001 0.000 0.231 405 G C 0.291 175.149 174.900 -0.071 0.000 0.984 405 G CA 0.154 45.212 45.100 -0.070 0.000 0.660 405 G HN 1.567 nan 8.290 nan 0.000 0.525 406 A N -0.089 122.707 122.820 -0.039 0.000 2.316 406 A HA 0.829 5.150 4.320 0.001 0.000 0.284 406 A C 1.323 178.932 177.584 0.041 0.000 1.115 406 A CA 1.012 53.059 52.037 0.016 0.000 0.812 406 A CB 0.786 19.891 19.000 0.176 0.000 1.064 406 A HN 1.424 nan 8.150 nan 0.000 0.489 407 T N -1.648 112.938 114.554 0.052 0.000 3.010 407 T HA 0.546 4.897 4.350 0.001 0.000 0.257 407 T C 0.840 175.568 174.700 0.047 0.000 1.020 407 T CA 0.938 63.066 62.100 0.046 0.000 0.938 407 T CB -0.004 68.894 68.868 0.051 0.000 1.049 407 T HN 2.156 nan 8.240 nan 0.000 0.522 408 G N 1.264 110.092 108.800 0.046 0.000 2.480 408 G HA2 0.243 4.203 3.960 0.001 0.000 0.109 408 G HA3 0.243 4.203 3.960 0.001 0.000 0.109 408 G C -1.429 173.444 174.900 -0.044 0.000 1.172 408 G CA -0.843 44.215 45.100 -0.071 0.000 1.091 408 G HN 0.110 nan 8.290 nan 0.000 0.464 409 F N 3.809 123.857 119.950 0.164 0.000 2.666 409 F HA 0.265 4.792 4.527 0.001 0.000 0.362 409 F C 0.666 176.643 175.800 0.296 0.000 1.190 409 F CA -0.503 57.638 58.000 0.235 0.000 1.328 409 F CB -0.320 38.756 39.000 0.127 0.000 1.682 409 F HN 0.074 nan 8.300 nan 0.000 0.623 410 D N 2.806 123.441 120.400 0.391 0.000 2.472 410 D HA 0.029 4.670 4.640 0.001 0.000 0.237 410 D C -2.168 174.231 176.300 0.164 0.000 1.141 410 D CA -0.774 53.340 54.000 0.190 0.000 0.875 410 D CB 0.574 41.391 40.800 0.029 0.000 1.192 410 D HN 0.117 nan 8.370 nan 0.000 0.450 411 P HA 0.168 nan 4.420 nan 0.000 0.278 411 P C 0.179 177.436 177.300 -0.072 0.000 1.238 411 P CA -0.364 62.756 63.100 0.034 0.000 0.794 411 P CB 1.177 32.901 31.700 0.039 0.000 0.955 412 K N 1.131 121.445 120.400 -0.145 0.000 2.262 412 K HA 0.124 4.445 4.320 0.001 0.000 0.200 412 K C 0.365 176.910 176.600 -0.092 0.000 1.058 412 K CA 0.651 56.793 56.287 -0.242 0.000 0.974 412 K CB 0.109 32.195 32.500 -0.690 0.000 0.910 412 K HN 0.430 nan 8.250 nan 0.000 0.484 413 V N -0.709 119.185 119.914 -0.032 0.000 2.715 413 V HA 0.557 4.677 4.120 0.001 0.000 0.310 413 V C -0.111 176.001 176.094 0.030 0.000 1.054 413 V CA -1.214 61.110 62.300 0.039 0.000 0.928 413 V CB 1.584 33.472 31.823 0.107 0.000 1.007 413 V HN 0.139 nan 8.190 nan 0.000 0.437 414 S N 2.855 118.573 115.700 0.030 0.000 2.576 414 S HA 0.338 4.809 4.470 0.001 0.000 0.276 414 S C 0.865 175.485 174.600 0.033 0.000 1.339 414 S CA -0.332 57.884 58.200 0.027 0.000 1.039 414 S CB 0.631 63.843 63.200 0.020 0.000 0.902 414 S HN 0.785 nan 8.310 nan 0.000 0.516 415 L N 1.932 123.174 121.223 0.032 0.000 2.093 415 L HA -0.057 4.283 4.340 0.001 0.000 0.208 415 L C 1.657 178.545 176.870 0.030 0.000 1.085 415 L CA 1.680 56.540 54.840 0.034 0.000 0.755 415 L CB -0.539 41.540 42.059 0.033 0.000 0.904 415 L HN 0.811 nan 8.230 nan 0.000 0.435 416 D N -2.144 118.271 120.400 0.025 0.000 2.349 416 D HA -0.080 4.561 4.640 0.001 0.000 0.224 416 D C 0.407 176.719 176.300 0.020 0.000 1.029 416 D CA -0.029 53.984 54.000 0.021 0.000 0.879 416 D CB -0.258 40.552 40.800 0.017 0.000 0.906 416 D HN 0.072 nan 8.370 nan 0.000 0.528 417 D N 1.050 121.464 120.400 0.024 0.000 2.336 417 D HA 0.060 4.701 4.640 0.001 0.000 0.249 417 D C -1.281 175.033 176.300 0.023 0.000 1.213 417 D CA -2.428 51.586 54.000 0.023 0.000 0.870 417 D CB 1.425 42.242 40.800 0.029 0.000 1.076 417 D HN -0.101 nan 8.370 nan 0.000 0.483 418 P HA -0.111 nan 4.420 nan 0.000 0.218 418 P C 0.665 177.974 177.300 0.015 0.000 1.148 418 P CA 0.939 64.048 63.100 0.015 0.000 0.822 418 P CB 0.344 32.051 31.700 0.011 0.000 0.784 419 E N -0.937 119.271 120.200 0.014 0.000 2.489 419 E HA 0.135 4.486 4.350 0.001 0.000 0.193 419 E C 1.799 178.410 176.600 0.019 0.000 1.057 419 E CA 0.103 56.510 56.400 0.012 0.000 0.866 419 E CB -0.092 29.613 29.700 0.008 0.000 0.916 419 E HN 0.151 nan 8.360 nan 0.000 0.500 420 A N 1.198 124.036 122.820 0.029 0.000 1.908 420 A HA -0.165 4.155 4.320 0.001 0.000 0.218 420 A C 2.136 179.746 177.584 0.043 0.000 1.181 420 A CA 0.880 52.945 52.037 0.046 0.000 0.627 420 A CB -0.513 18.521 19.000 0.055 0.000 0.818 420 A HN 0.233 nan 8.150 nan 0.000 0.445 421 L N -0.858 120.382 121.223 0.029 0.000 2.187 421 L HA -0.171 4.170 4.340 0.001 0.000 0.213 421 L C 2.695 179.568 176.870 0.003 0.000 1.100 421 L CA 1.690 56.542 54.840 0.019 0.000 0.765 421 L CB -0.530 41.538 42.059 0.015 0.000 0.904 421 L HN 0.391 nan 8.230 nan 0.000 0.437 422 T N -0.467 114.086 114.554 -0.002 0.000 2.809 422 T HA -0.112 4.239 4.350 0.001 0.000 0.260 422 T C 1.825 176.501 174.700 -0.040 0.000 1.039 422 T CA 1.035 63.123 62.100 -0.020 0.000 1.141 422 T CB 0.104 68.961 68.868 -0.018 0.000 0.869 422 T HN 0.369 nan 8.240 nan 0.000 0.437 423 K N 1.087 121.471 120.400 -0.028 0.000 2.026 423 K HA -0.005 4.315 4.320 0.001 0.000 0.208 423 K C 2.184 178.708 176.600 -0.127 0.000 1.048 423 K CA 1.251 57.499 56.287 -0.065 0.000 0.929 423 K CB -0.473 32.029 32.500 0.003 0.000 0.713 423 K HN 0.310 nan 8.250 nan 0.000 0.439 424 I N 1.339 121.899 120.570 -0.017 0.000 2.127 424 I HA -0.286 3.884 4.170 0.001 0.000 0.241 424 I C 2.937 179.016 176.117 -0.063 0.000 1.075 424 I CA 1.319 62.630 61.300 0.018 0.000 1.334 424 I CB -0.357 37.696 38.000 0.088 0.000 1.040 424 I HN 0.223 nan 8.210 nan 0.000 0.405 425 R N 0.987 121.454 120.500 -0.054 0.000 2.105 425 R HA -0.215 4.125 4.340 0.001 0.000 0.239 425 R C 2.564 178.809 176.300 -0.093 0.000 1.135 425 R CA 1.399 57.461 56.100 -0.062 0.000 0.967 425 R CB -0.248 30.025 30.300 -0.045 0.000 0.861 425 R HN 0.226 nan 8.270 nan 0.000 0.442 426 R N 0.812 121.240 120.500 -0.119 0.000 2.073 426 R HA -0.091 4.249 4.340 0.001 0.000 0.229 426 R C 1.562 177.752 176.300 -0.183 0.000 1.120 426 R CA 1.467 57.482 56.100 -0.141 0.000 0.967 426 R CB -0.196 30.017 30.300 -0.146 0.000 0.862 426 R HN 0.277 nan 8.270 nan 0.000 0.436 427 E N 0.631 120.664 120.200 -0.278 0.000 2.204 427 E HA -0.158 4.192 4.350 0.001 0.000 0.195 427 E C 1.959 178.461 176.600 -0.164 0.000 0.990 427 E CA 0.754 56.943 56.400 -0.352 0.000 0.821 427 E CB -0.034 29.127 29.700 -0.898 0.000 0.750 427 E HN 0.201 nan 8.360 nan 0.000 0.477 428 L N 0.895 122.051 121.223 -0.113 0.000 2.127 428 L HA -0.031 4.309 4.340 0.001 0.000 0.203 428 L C 2.364 179.191 176.870 -0.070 0.000 1.080 428 L CA 1.326 56.130 54.840 -0.060 0.000 0.768 428 L CB -0.371 41.652 42.059 -0.060 0.000 0.924 428 L HN -0.046 nan 8.230 nan 0.000 0.444 429 K N -0.681 119.669 120.400 -0.084 0.000 2.057 429 K HA -0.081 4.240 4.320 0.001 0.000 0.206 429 K C -0.375 176.179 176.600 -0.077 0.000 1.050 429 K CA 1.148 57.387 56.287 -0.080 0.000 0.935 429 K CB 0.222 32.673 32.500 -0.082 0.000 0.715 429 K HN 0.228 nan 8.250 nan 0.000 0.439 430 D N 0.597 120.944 120.400 -0.088 0.000 2.420 430 D HA 0.182 4.822 4.640 0.001 0.000 0.255 430 D C -1.258 174.996 176.300 -0.077 0.000 1.185 430 D CA -0.168 53.784 54.000 -0.080 0.000 0.904 430 D CB 1.547 42.283 40.800 -0.108 0.000 1.102 430 D HN 0.216 nan 8.370 nan 0.000 0.534 431 A N 1.668 124.464 122.820 -0.039 0.000 2.511 431 A HA 0.561 4.882 4.320 0.001 0.000 0.242 431 A C 0.849 178.406 177.584 -0.046 0.000 1.069 431 A CA 0.204 52.228 52.037 -0.022 0.000 0.763 431 A CB 0.615 19.631 19.000 0.027 0.000 1.001 431 A HN 0.523 nan 8.150 nan 0.000 0.498 432 G N -0.526 108.238 108.800 -0.060 0.000 3.075 432 G HA2 0.541 4.501 3.960 0.001 0.000 0.253 432 G HA3 0.541 4.501 3.960 0.001 0.000 0.253 432 G C 0.848 175.688 174.900 -0.100 0.000 1.353 432 G CA 0.121 45.146 45.100 -0.124 0.000 1.051 432 G HN 1.287 nan 8.290 nan 0.000 0.553 433 A N -1.073 121.633 122.820 -0.189 0.000 2.168 433 A HA 0.144 4.464 4.320 0.001 0.000 0.215 433 A C 1.447 179.163 177.584 0.219 0.000 1.152 433 A CA 1.599 53.483 52.037 -0.255 0.000 0.716 433 A CB -0.092 18.649 19.000 -0.431 0.000 0.794 433 A HN 0.369 nan 8.150 nan 0.000 0.465 434 D N -1.199 119.390 120.400 0.314 0.000 2.349 434 D HA 0.063 4.704 4.640 0.001 0.000 0.214 434 D C 1.733 178.446 176.300 0.689 0.000 1.063 434 D CA 0.061 54.441 54.000 0.634 0.000 0.847 434 D CB -0.115 41.015 40.800 0.551 0.000 0.933 434 D HN 0.473 nan 8.370 nan 0.000 0.513 435 R N 0.720 121.467 120.500 0.412 0.000 2.134 435 R HA -0.214 4.126 4.340 0.001 0.000 0.248 435 R C 1.990 178.467 176.300 0.294 0.000 1.143 435 R CA 1.256 57.560 56.100 0.340 0.000 0.957 435 R CB -0.427 29.984 30.300 0.184 0.000 0.867 435 R HN 0.128 nan 8.270 nan 0.000 0.441 436 I N 0.183 120.825 120.570 0.120 0.000 2.264 436 I HA -0.281 3.889 4.170 0.001 0.000 0.248 436 I C 1.598 177.727 176.117 0.020 0.000 1.111 436 I CA 1.469 62.750 61.300 -0.032 0.000 1.382 436 I CB -0.238 37.526 38.000 -0.393 0.000 1.060 436 I HN 0.328 nan 8.210 nan 0.000 0.418 437 W N -0.590 120.827 121.300 0.196 0.000 2.409 437 W HA -0.181 4.479 4.660 0.000 0.000 0.299 437 W C 2.514 179.028 176.519 -0.009 0.000 1.203 437 W CA 0.936 58.346 57.345 0.108 0.000 1.298 437 W CB -1.293 28.118 29.460 -0.082 0.000 1.127 437 W HN 0.194 nan 8.180 nan 0.000 0.528 438 Y N 0.353 120.831 120.300 0.297 0.000 2.403 438 Y HA -0.160 4.390 4.550 0.000 0.000 0.291 438 Y C 2.385 178.307 175.900 0.036 0.000 1.143 438 Y CA 1.090 59.275 58.100 0.142 0.000 1.257 438 Y CB -0.920 37.596 38.460 0.094 0.000 0.984 438 Y HN -0.141 nan 8.280 nan 0.000 0.550 439 I N -0.790 119.872 120.570 0.153 0.000 2.202 439 I HA -0.319 3.851 4.170 0.001 0.000 0.242 439 I C 2.559 178.570 176.117 -0.176 0.000 1.091 439 I CA 1.176 62.448 61.300 -0.046 0.000 1.368 439 I CB -0.555 37.470 38.000 0.042 0.000 1.058 439 I HN 0.187 nan 8.210 nan 0.000 0.410 440 A N 0.295 123.101 122.820 -0.022 0.000 1.902 440 A HA -0.230 4.090 4.320 0.001 0.000 0.217 440 A C 1.933 179.544 177.584 0.044 0.000 1.181 440 A CA 1.914 53.944 52.037 -0.010 0.000 0.623 440 A CB -0.560 18.410 19.000 -0.050 0.000 0.818 440 A HN 0.323 nan 8.150 nan 0.000 0.443 441 D N 0.032 120.464 120.400 0.054 0.000 2.218 441 D HA -0.038 4.602 4.640 0.001 0.000 0.204 441 D C 2.144 178.458 176.300 0.024 0.000 0.976 441 D CA 1.267 55.301 54.000 0.057 0.000 0.853 441 D CB -0.263 40.573 40.800 0.060 0.000 0.939 441 D HN 0.436 nan 8.370 nan 0.000 0.481 442 A N 0.086 122.858 122.820 -0.081 0.000 1.898 442 A HA -0.145 4.175 4.320 0.001 0.000 0.216 442 A C 1.883 179.386 177.584 -0.135 0.000 1.181 442 A CA 0.910 52.844 52.037 -0.172 0.000 0.620 442 A CB -0.787 17.993 19.000 -0.367 0.000 0.819 442 A HN 0.130 nan 8.150 nan 0.000 0.442 443 F N -0.074 119.894 119.950 0.029 0.000 2.206 443 F HA -0.007 4.521 4.527 0.001 0.000 0.298 443 F C 2.446 178.257 175.800 0.017 0.000 1.090 443 F CA 1.085 59.092 58.000 0.012 0.000 1.323 443 F CB -0.553 38.437 39.000 -0.017 0.000 1.028 443 F HN 0.105 nan 8.300 nan 0.000 0.492 444 R N 0.011 120.624 120.500 0.188 0.000 2.120 444 R HA -0.052 4.289 4.340 0.001 0.000 0.234 444 R C 2.004 178.360 176.300 0.095 0.000 1.123 444 R CA 1.158 57.332 56.100 0.124 0.000 0.975 444 R CB -0.579 29.780 30.300 0.099 0.000 0.866 444 R HN 0.221 nan 8.270 nan 0.000 0.446 445 A N -0.259 122.610 122.820 0.082 0.000 2.278 445 A HA 0.283 4.604 4.320 0.001 0.000 0.212 445 A C 1.270 178.894 177.584 0.066 0.000 1.213 445 A CA 0.641 52.716 52.037 0.063 0.000 0.840 445 A CB 0.074 19.104 19.000 0.049 0.000 0.866 445 A HN 0.442 nan 8.150 nan 0.000 0.489 446 G N -1.305 107.550 108.800 0.093 0.000 2.176 446 G HA2 -0.190 3.770 3.960 0.001 0.000 0.232 446 G HA3 -0.190 3.770 3.960 0.001 0.000 0.232 446 G C 0.148 175.109 174.900 0.102 0.000 0.986 446 G CA 0.125 45.280 45.100 0.091 0.000 0.643 446 G HN 0.388 nan 8.290 nan 0.000 0.522 447 L N 1.839 123.123 121.223 0.102 0.000 2.452 447 L HA 0.500 4.840 4.340 0.001 0.000 0.267 447 L C 1.550 178.543 176.870 0.204 0.000 1.188 447 L CA 0.221 55.117 54.840 0.094 0.000 0.821 447 L CB 1.073 43.137 42.059 0.008 0.000 1.102 447 L HN 0.482 nan 8.230 nan 0.000 0.470 448 S N 0.853 116.660 115.700 0.179 0.000 2.669 448 S HA 0.223 4.694 4.470 0.001 0.000 0.270 448 S C 0.979 175.789 174.600 0.350 0.000 1.225 448 S CA -0.958 57.378 58.200 0.226 0.000 0.991 448 S CB 1.603 64.882 63.200 0.130 0.000 0.987 448 S HN 0.323 nan 8.310 nan 0.000 0.552 449 V N 1.222 121.332 119.914 0.327 0.000 2.407 449 V HA -0.147 3.973 4.120 0.001 0.000 0.248 449 V C 2.056 178.316 176.094 0.277 0.000 1.055 449 V CA 2.188 64.707 62.300 0.366 0.000 1.049 449 V CB -1.014 30.901 31.823 0.153 0.000 0.662 449 V HN 0.830 nan 8.190 nan 0.000 0.455 450 D N 0.664 121.174 120.400 0.182 0.000 2.144 450 D HA -0.105 4.535 4.640 0.001 0.000 0.199 450 D C 2.217 178.647 176.300 0.216 0.000 0.984 450 D CA 1.579 55.682 54.000 0.170 0.000 0.834 450 D CB -0.594 40.260 40.800 0.090 0.000 0.955 450 D HN 0.469 nan 8.370 nan 0.000 0.465 451 G N 0.536 109.433 108.800 0.162 0.000 2.418 451 G HA2 -0.188 3.772 3.960 0.001 0.000 0.217 451 G HA3 -0.188 3.772 3.960 0.001 0.000 0.217 451 G C 1.826 176.781 174.900 0.092 0.000 1.158 451 G CA 0.634 45.803 45.100 0.114 0.000 0.771 451 G HN 0.243 nan 8.290 nan 0.000 0.545 452 V N 0.284 120.257 119.914 0.098 0.000 2.427 452 V HA -0.065 4.055 4.120 0.001 0.000 0.248 452 V C 2.260 178.388 176.094 0.057 0.000 1.051 452 V CA 1.593 63.904 62.300 0.019 0.000 1.048 452 V CB -0.559 31.224 31.823 -0.066 0.000 0.666 452 V HN 0.397 nan 8.190 nan 0.000 0.456 453 F N 2.031 122.010 119.950 0.047 0.000 2.075 453 F HA -0.187 4.340 4.527 0.000 0.000 0.297 453 F C 2.380 178.199 175.800 0.031 0.000 1.113 453 F CA 2.002 60.029 58.000 0.044 0.000 1.218 453 F CB -0.434 38.603 39.000 0.062 0.000 0.984 453 F HN 0.166 nan 8.300 nan 0.000 0.472 454 N N 0.938 119.736 118.700 0.163 0.000 2.192 454 N HA -0.204 4.536 4.740 0.001 0.000 0.188 454 N C 1.888 177.341 175.510 -0.095 0.000 1.013 454 N CA 1.876 54.961 53.050 0.057 0.000 0.863 454 N CB -0.552 38.023 38.487 0.146 0.000 0.990 454 N HN 0.401 nan 8.380 nan 0.000 0.430 455 L N -0.092 121.074 121.223 -0.094 0.000 2.162 455 L HA -0.017 4.323 4.340 0.001 0.000 0.205 455 L C 2.372 179.155 176.870 -0.144 0.000 1.086 455 L CA 1.328 56.110 54.840 -0.098 0.000 0.778 455 L CB -0.476 41.542 42.059 -0.069 0.000 0.928 455 L HN 0.263 nan 8.230 nan 0.000 0.446 456 T N -5.099 109.333 114.554 -0.205 0.000 3.039 456 T HA 0.091 4.442 4.350 0.001 0.000 0.250 456 T C 0.912 175.431 174.700 -0.301 0.000 1.052 456 T CA 0.575 62.553 62.100 -0.203 0.000 1.125 456 T CB -0.132 68.638 68.868 -0.163 0.000 0.908 456 T HN 0.335 nan 8.240 nan 0.000 0.473 457 N N 0.295 118.638 118.700 -0.594 0.000 2.850 457 N HA -0.112 4.629 4.740 0.001 0.000 0.249 457 N C -0.886 174.386 175.510 -0.396 0.000 1.060 457 N CA 0.384 52.990 53.050 -0.741 0.000 0.825 457 N CB -1.709 36.581 38.487 -0.329 0.000 1.132 457 N HN 0.536 nan 8.380 nan 0.000 0.564 458 I N 1.154 121.539 120.570 -0.309 0.000 2.416 458 I HA 0.022 4.192 4.170 0.001 0.000 0.288 458 I C 0.890 177.099 176.117 0.154 0.000 1.051 458 I CA -0.139 61.034 61.300 -0.212 0.000 1.375 458 I CB 0.443 38.159 38.000 -0.473 0.000 1.407 458 I HN 0.129 nan 8.210 nan 0.000 0.516 459 D N 5.942 126.530 120.400 0.313 0.000 2.571 459 D HA -0.079 4.562 4.640 0.001 0.000 0.231 459 D C 1.165 177.729 176.300 0.442 0.000 1.133 459 D CA 0.437 54.719 54.000 0.469 0.000 0.862 459 D CB 0.799 41.868 40.800 0.448 0.000 1.179 459 D HN 0.481 nan 8.370 nan 0.000 0.474 460 R N 2.718 123.408 120.500 0.317 0.000 2.193 460 R HA -0.178 4.162 4.340 0.001 0.000 0.229 460 R C 1.879 178.274 176.300 0.157 0.000 1.110 460 R CA 1.020 57.245 56.100 0.208 0.000 0.988 460 R CB -0.114 30.214 30.300 0.047 0.000 0.871 460 R HN 0.649 nan 8.270 nan 0.000 0.458 461 W N 0.456 121.742 121.300 -0.022 0.000 2.331 461 W HA -0.213 4.447 4.660 0.001 0.000 0.291 461 W C 1.046 177.478 176.519 -0.146 0.000 1.214 461 W CA 1.541 58.790 57.345 -0.160 0.000 1.228 461 W CB -0.146 29.117 29.460 -0.328 0.000 1.135 461 W HN -0.012 nan 8.180 nan 0.000 0.537 462 F N -0.605 119.456 119.950 0.184 0.000 2.262 462 F HA 0.008 4.535 4.527 0.000 0.000 0.292 462 F C 2.174 178.028 175.800 0.090 0.000 1.081 462 F CA 1.019 59.100 58.000 0.135 0.000 1.355 462 F CB -1.090 38.141 39.000 0.385 0.000 1.069 462 F HN -0.264 nan 8.300 nan 0.000 0.506 463 L N 0.216 121.630 121.223 0.319 0.000 2.017 463 L HA -0.183 4.157 4.340 0.001 0.000 0.208 463 L C 2.558 179.464 176.870 0.059 0.000 1.073 463 L CA 1.354 56.374 54.840 0.300 0.000 0.745 463 L CB -1.201 41.093 42.059 0.392 0.000 0.894 463 L HN 0.134 nan 8.230 nan 0.000 0.432 464 V N -2.747 117.132 119.914 -0.058 0.000 2.688 464 V HA -0.286 3.834 4.120 0.001 0.000 0.256 464 V C 2.113 178.065 176.094 -0.236 0.000 1.084 464 V CA 1.586 63.764 62.300 -0.203 0.000 1.103 464 V CB -0.915 30.796 31.823 -0.187 0.000 0.688 464 V HN 0.531 nan 8.190 nan 0.000 0.480 465 Q N -0.070 119.609 119.800 -0.201 0.000 2.187 465 Q HA 0.139 4.479 4.340 0.001 0.000 0.199 465 Q C 2.306 178.225 176.000 -0.135 0.000 0.957 465 Q CA 1.612 57.300 55.803 -0.191 0.000 0.857 465 Q CB -0.086 28.514 28.738 -0.230 0.000 0.929 465 Q HN 0.656 nan 8.270 nan 0.000 0.453 466 I N 0.713 121.230 120.570 -0.088 0.000 2.286 466 I HA -0.219 3.951 4.170 0.001 0.000 0.245 466 I C 2.440 178.410 176.117 -0.245 0.000 1.104 466 I CA 0.996 62.203 61.300 -0.155 0.000 1.397 466 I CB -0.233 37.769 38.000 0.003 0.000 1.072 466 I HN 0.282 nan 8.210 nan 0.000 0.417 467 E N 1.450 121.368 120.200 -0.470 0.000 2.118 467 E HA -0.311 4.039 4.350 0.001 0.000 0.195 467 E C 2.083 178.468 176.600 -0.358 0.000 0.992 467 E CA 1.511 57.430 56.400 -0.802 0.000 0.804 467 E CB -0.014 28.923 29.700 -1.272 0.000 0.741 467 E HN 0.489 nan 8.360 nan 0.000 0.458 468 E N 0.288 120.333 120.200 -0.257 0.000 2.150 468 E HA -0.168 4.183 4.350 0.001 0.000 0.193 468 E C 2.165 178.753 176.600 -0.021 0.000 0.985 468 E CA 0.630 56.954 56.400 -0.126 0.000 0.814 468 E CB -0.024 29.611 29.700 -0.108 0.000 0.752 468 E HN 0.362 nan 8.360 nan 0.000 0.466 469 L N 0.277 121.483 121.223 -0.028 0.000 2.141 469 L HA -0.124 4.216 4.340 0.001 0.000 0.209 469 L C 2.457 179.442 176.870 0.193 0.000 1.094 469 L CA 0.424 55.343 54.840 0.132 0.000 0.763 469 L CB -0.226 41.830 42.059 -0.006 0.000 0.908 469 L HN 0.104 nan 8.230 nan 0.000 0.437 470 V N -0.001 119.934 119.914 0.035 0.000 2.307 470 V HA -0.237 3.883 4.120 0.001 0.000 0.245 470 V C 2.693 178.829 176.094 0.071 0.000 1.045 470 V CA 1.584 63.924 62.300 0.067 0.000 1.024 470 V CB -0.582 31.274 31.823 0.055 0.000 0.651 470 V HN 0.451 nan 8.190 nan 0.000 0.449 471 R N -0.023 120.493 120.500 0.027 0.000 2.091 471 R HA -0.140 4.201 4.340 0.001 0.000 0.238 471 R C 2.235 178.565 176.300 0.051 0.000 1.136 471 R CA 1.447 57.561 56.100 0.023 0.000 0.959 471 R CB -0.946 29.346 30.300 -0.012 0.000 0.856 471 R HN 0.426 nan 8.270 nan 0.000 0.437 472 L N 0.904 122.180 121.223 0.088 0.000 2.046 472 L HA -0.146 4.195 4.340 0.001 0.000 0.208 472 L C 2.504 179.388 176.870 0.024 0.000 1.077 472 L CA 1.340 56.239 54.840 0.099 0.000 0.747 472 L CB -0.433 41.719 42.059 0.154 0.000 0.896 472 L HN 0.226 nan 8.230 nan 0.000 0.432 473 E N -0.000 120.224 120.200 0.040 0.000 2.118 473 E HA -0.264 4.087 4.350 0.001 0.000 0.195 473 E C 2.064 178.675 176.600 0.018 0.000 0.992 473 E CA 1.338 57.736 56.400 -0.003 0.000 0.804 473 E CB 0.018 29.796 29.700 0.130 0.000 0.741 473 E HN 0.520 nan 8.360 nan 0.000 0.458 474 E N 0.375 120.601 120.200 0.043 0.000 2.106 474 E HA -0.209 4.141 4.350 0.001 0.000 0.192 474 E C 2.063 178.684 176.600 0.036 0.000 0.984 474 E CA 1.017 57.440 56.400 0.038 0.000 0.806 474 E CB -0.011 29.710 29.700 0.036 0.000 0.750 474 E HN 0.115 nan 8.360 nan 0.000 0.458 475 K N 0.927 121.357 120.400 0.050 0.000 2.103 475 K HA -0.078 4.243 4.320 0.001 0.000 0.204 475 K C 1.986 178.655 176.600 0.115 0.000 1.052 475 K CA 0.825 57.146 56.287 0.057 0.000 0.945 475 K CB 0.088 32.608 32.500 0.034 0.000 0.722 475 K HN -0.074 nan 8.250 nan 0.000 0.443 476 V N 1.783 121.775 119.914 0.131 0.000 2.343 476 V HA -0.239 3.881 4.120 0.001 0.000 0.247 476 V C 2.569 178.689 176.094 0.044 0.000 1.051 476 V CA 1.976 64.330 62.300 0.090 0.000 1.036 476 V CB -0.713 31.047 31.823 -0.104 0.000 0.654 476 V HN 0.554 nan 8.190 nan 0.000 0.451 477 A N -0.851 121.983 122.820 0.024 0.000 1.940 477 A HA -0.274 4.047 4.320 0.001 0.000 0.219 477 A C 2.298 179.896 177.584 0.024 0.000 1.176 477 A CA 2.071 54.120 52.037 0.020 0.000 0.631 477 A CB -0.415 18.598 19.000 0.022 0.000 0.814 477 A HN 0.620 nan 8.150 nan 0.000 0.446 478 E N -0.261 119.956 120.200 0.029 0.000 2.076 478 E HA -0.096 4.255 4.350 0.001 0.000 0.190 478 E C 2.032 178.645 176.600 0.023 0.000 0.979 478 E CA 1.363 57.775 56.400 0.020 0.000 0.807 478 E CB -0.046 29.660 29.700 0.010 0.000 0.761 478 E HN 0.541 nan 8.360 nan 0.000 0.454 479 V N -1.841 118.098 119.914 0.042 0.000 2.719 479 V HA 0.207 4.327 4.120 0.001 0.000 0.252 479 V C 1.097 177.220 176.094 0.049 0.000 1.065 479 V CA 0.910 63.238 62.300 0.047 0.000 1.086 479 V CB -0.816 31.049 31.823 0.070 0.000 0.700 479 V HN 0.359 nan 8.190 nan 0.000 0.467 480 G N 0.042 108.870 108.800 0.046 0.000 2.796 480 G HA2 -0.303 3.658 3.960 0.001 0.000 0.226 480 G HA3 -0.303 3.658 3.960 0.001 0.000 0.226 480 G C 0.409 175.332 174.900 0.038 0.000 1.381 480 G CA 0.107 45.225 45.100 0.030 0.000 0.867 480 G HN 0.710 nan 8.290 nan 0.000 0.552 481 I N -0.168 120.414 120.570 0.020 0.000 2.423 481 I HA -0.148 4.023 4.170 0.001 0.000 0.254 481 I C 2.693 178.836 176.117 0.042 0.000 1.151 481 I CA 2.462 63.773 61.300 0.018 0.000 1.421 481 I CB -0.174 37.825 38.000 -0.002 0.000 1.079 481 I HN 0.679 nan 8.210 nan 0.000 0.431 482 T N 0.053 114.633 114.554 0.043 0.000 2.867 482 T HA -0.074 4.276 4.350 0.001 0.000 0.268 482 T C 1.429 176.173 174.700 0.073 0.000 1.057 482 T CA 1.386 63.516 62.100 0.050 0.000 1.136 482 T CB -0.301 68.588 68.868 0.035 0.000 0.874 482 T HN 0.601 nan 8.240 nan 0.000 0.466 483 G N 0.329 109.181 108.800 0.088 0.000 2.985 483 G HA2 0.197 4.158 3.960 0.001 0.000 0.209 483 G HA3 0.197 4.158 3.960 0.001 0.000 0.209 483 G C 0.548 175.585 174.900 0.228 0.000 1.165 483 G CA -0.213 44.958 45.100 0.120 0.000 0.776 483 G HN 0.445 nan 8.290 nan 0.000 0.541 484 L N 2.572 123.908 121.223 0.189 0.000 2.583 484 L HA 0.189 4.529 4.340 0.001 0.000 0.239 484 L C 0.261 177.287 176.870 0.261 0.000 1.347 484 L CA -0.759 54.203 54.840 0.204 0.000 1.246 484 L CB -0.849 41.254 42.059 0.073 0.000 1.496 484 L HN 0.260 nan 8.230 nan 0.000 0.413 485 N N -0.187 118.646 118.700 0.222 0.000 2.399 485 N HA 0.190 4.931 4.740 0.001 0.000 0.250 485 N C 1.243 176.707 175.510 -0.077 0.000 1.272 485 N CA 0.194 53.300 53.050 0.093 0.000 0.928 485 N CB 0.918 39.425 38.487 0.034 0.000 1.158 485 N HN 0.185 nan 8.380 nan 0.000 0.463 486 A N 0.479 122.937 122.820 -0.603 0.000 1.958 486 A HA -0.270 4.050 4.320 0.001 0.000 0.221 486 A C 1.459 178.917 177.584 -0.210 0.000 1.178 486 A CA 1.924 53.525 52.037 -0.726 0.000 0.642 486 A CB -0.780 17.630 19.000 -0.985 0.000 0.816 486 A HN 0.819 nan 8.150 nan 0.000 0.453 487 D N -1.368 118.976 120.400 -0.094 0.000 2.123 487 D HA -0.084 4.556 4.640 0.001 0.000 0.200 487 D C 1.619 177.986 176.300 0.112 0.000 0.976 487 D CA 1.024 55.026 54.000 0.005 0.000 0.831 487 D CB -0.473 40.333 40.800 0.011 0.000 0.974 487 D HN 0.437 nan 8.370 nan 0.000 0.469 488 F N 1.450 121.361 119.950 -0.064 0.000 2.146 488 F HA -0.057 4.470 4.527 0.000 0.000 0.298 488 F C 2.021 177.793 175.800 -0.047 0.000 1.096 488 F CA 0.433 58.404 58.000 -0.050 0.000 1.275 488 F CB -0.599 38.372 39.000 -0.047 0.000 1.008 488 F HN -0.130 nan 8.300 nan 0.000 0.480 489 L N 0.696 121.868 121.223 -0.085 0.000 2.083 489 L HA -0.121 4.220 4.340 0.001 0.000 0.209 489 L C 2.627 179.404 176.870 -0.155 0.000 1.083 489 L CA 1.676 56.401 54.840 -0.192 0.000 0.752 489 L CB -0.830 41.241 42.059 0.021 0.000 0.899 489 L HN 0.093 nan 8.230 nan 0.000 0.433 490 R N -1.028 119.436 120.500 -0.060 0.000 2.075 490 R HA -0.199 4.141 4.340 0.001 0.000 0.232 490 R C 2.358 178.627 176.300 -0.052 0.000 1.126 490 R CA 1.660 57.734 56.100 -0.044 0.000 0.963 490 R CB -0.262 30.054 30.300 0.026 0.000 0.858 490 R HN 0.591 nan 8.270 nan 0.000 0.435 491 Q N 0.528 120.330 119.800 0.003 0.000 2.124 491 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 491 Q C 2.042 178.053 176.000 0.019 0.000 0.977 491 Q CA 1.406 57.238 55.803 0.049 0.000 0.850 491 Q CB -0.028 28.803 28.738 0.155 0.000 0.901 491 Q HN 0.411 nan 8.270 nan 0.000 0.429 492 L N 0.360 121.526 121.223 -0.096 0.000 2.027 492 L HA -0.173 4.167 4.340 0.001 0.000 0.206 492 L C 2.563 179.461 176.870 0.046 0.000 1.074 492 L CA 0.889 55.695 54.840 -0.057 0.000 0.745 492 L CB -0.402 41.397 42.059 -0.434 0.000 0.898 492 L HN 0.074 nan 8.230 nan 0.000 0.433 493 K N 0.411 120.682 120.400 -0.215 0.000 2.097 493 K HA -0.134 4.186 4.320 0.001 0.000 0.206 493 K C 2.139 178.482 176.600 -0.428 0.000 1.049 493 K CA 1.280 57.256 56.287 -0.518 0.000 0.933 493 K CB -0.361 31.427 32.500 -1.187 0.000 0.717 493 K HN 0.231 nan 8.250 nan 0.000 0.442 494 R N 0.694 121.074 120.500 -0.200 0.000 2.189 494 R HA 0.004 4.344 4.340 0.001 0.000 0.223 494 R C 1.496 177.814 176.300 0.031 0.000 1.092 494 R CA 0.780 56.873 56.100 -0.011 0.000 0.989 494 R CB 0.156 30.489 30.300 0.055 0.000 0.876 494 R HN 0.022 nan 8.270 nan 0.000 0.457 495 K N -0.725 119.699 120.400 0.040 0.000 2.404 495 K HA 0.122 4.442 4.320 0.001 0.000 0.194 495 K C 0.795 177.331 176.600 -0.106 0.000 1.023 495 K CA 0.773 57.073 56.287 0.022 0.000 1.094 495 K CB 1.193 33.769 32.500 0.127 0.000 0.841 495 K HN 0.375 nan 8.250 nan 0.000 0.523 496 G N 1.443 110.200 108.800 -0.072 0.000 2.175 496 G HA2 -0.250 3.710 3.960 0.001 0.000 0.244 496 G HA3 -0.250 3.710 3.960 0.001 0.000 0.244 496 G C 0.024 174.833 174.900 -0.151 0.000 0.982 496 G CA -0.479 44.560 45.100 -0.102 0.000 0.641 496 G HN 0.196 nan 8.290 nan 0.000 0.527 497 F N 1.911 121.828 119.950 -0.056 0.000 2.607 497 F HA 0.473 5.000 4.527 0.000 0.000 0.374 497 F C 1.212 176.974 175.800 -0.063 0.000 1.104 497 F CA 0.624 58.593 58.000 -0.052 0.000 1.296 497 F CB 0.673 39.620 39.000 -0.088 0.000 1.085 497 F HN 0.375 nan 8.300 nan 0.000 0.584 498 A N 3.038 125.951 122.820 0.155 0.000 2.286 498 A HA 0.249 4.569 4.320 0.001 0.000 0.286 498 A C 1.081 178.709 177.584 0.074 0.000 1.097 498 A CA -0.695 51.395 52.037 0.088 0.000 0.821 498 A CB 0.338 19.379 19.000 0.067 0.000 1.076 498 A HN 0.756 nan 8.150 nan 0.000 0.490 499 D N 1.230 121.651 120.400 0.036 0.000 2.104 499 D HA -0.153 4.487 4.640 0.001 0.000 0.194 499 D C 2.191 178.497 176.300 0.011 0.000 0.994 499 D CA 2.068 56.072 54.000 0.007 0.000 0.830 499 D CB -0.456 40.344 40.800 0.000 0.000 0.959 499 D HN 0.636 nan 8.370 nan 0.000 0.452 500 A N 0.804 123.638 122.820 0.022 0.000 1.908 500 A HA -0.228 4.093 4.320 0.001 0.000 0.218 500 A C 2.209 179.814 177.584 0.034 0.000 1.181 500 A CA 2.051 54.100 52.037 0.019 0.000 0.627 500 A CB -0.475 18.535 19.000 0.017 0.000 0.818 500 A HN 0.115 nan 8.150 nan 0.000 0.445 501 R N -0.118 120.423 120.500 0.069 0.000 2.075 501 R HA 0.051 4.391 4.340 0.001 0.000 0.232 501 R C 1.919 178.255 176.300 0.060 0.000 1.126 501 R CA 1.380 57.542 56.100 0.104 0.000 0.963 501 R CB -0.632 29.793 30.300 0.208 0.000 0.858 501 R HN 0.513 nan 8.270 nan 0.000 0.435 502 L N -0.105 121.130 121.223 0.020 0.000 2.046 502 L HA -0.100 4.241 4.340 0.001 0.000 0.208 502 L C 2.522 179.363 176.870 -0.049 0.000 1.077 502 L CA 1.359 56.157 54.840 -0.070 0.000 0.747 502 L CB -0.757 41.231 42.059 -0.119 0.000 0.896 502 L HN 0.341 nan 8.230 nan 0.000 0.432 503 A N 0.293 123.097 122.820 -0.027 0.000 1.917 503 A HA -0.258 4.062 4.320 0.001 0.000 0.219 503 A C 2.329 179.905 177.584 -0.012 0.000 1.182 503 A CA 1.976 54.000 52.037 -0.022 0.000 0.633 503 A CB -0.383 18.607 19.000 -0.017 0.000 0.819 503 A HN 0.343 nan 8.150 nan 0.000 0.448 504 K N -0.616 119.785 120.400 0.001 0.000 2.057 504 K HA 0.021 4.342 4.320 0.001 0.000 0.206 504 K C 1.827 178.431 176.600 0.007 0.000 1.050 504 K CA 1.332 57.624 56.287 0.008 0.000 0.935 504 K CB -0.325 32.189 32.500 0.023 0.000 0.715 504 K HN 0.463 nan 8.250 nan 0.000 0.439 505 L N 0.157 121.382 121.223 0.003 0.000 2.141 505 L HA -0.107 4.233 4.340 0.001 0.000 0.209 505 L C 2.153 179.018 176.870 -0.009 0.000 1.094 505 L CA 0.915 55.754 54.840 -0.002 0.000 0.763 505 L CB -0.263 41.785 42.059 -0.020 0.000 0.908 505 L HN 0.166 nan 8.230 nan 0.000 0.437 506 A N -0.388 122.421 122.820 -0.019 0.000 2.251 506 A HA 0.321 4.641 4.320 0.001 0.000 0.209 506 A C 1.579 179.158 177.584 -0.008 0.000 1.187 506 A CA 0.505 52.533 52.037 -0.015 0.000 0.823 506 A CB -0.539 18.444 19.000 -0.028 0.000 0.846 506 A HN 0.447 nan 8.150 nan 0.000 0.486 507 G N -0.379 108.417 108.800 -0.006 0.000 2.323 507 G HA2 -0.049 3.911 3.960 0.001 0.000 0.292 507 G HA3 -0.049 3.911 3.960 0.001 0.000 0.292 507 G C 0.232 175.127 174.900 -0.009 0.000 1.040 507 G CA 0.923 46.020 45.100 -0.005 0.000 0.942 507 G HN 1.843 nan 8.290 nan 0.000 0.506 508 V N -4.557 115.349 119.914 -0.013 0.000 3.167 508 V HA 0.912 5.032 4.120 0.001 0.000 0.310 508 V C 0.411 176.494 176.094 -0.017 0.000 1.207 508 V CA -2.008 60.282 62.300 -0.016 0.000 1.059 508 V CB 1.394 33.205 31.823 -0.020 0.000 1.079 508 V HN 0.355 nan 8.190 nan 0.000 0.446 509 R N 0.391 120.879 120.500 -0.019 0.000 2.582 509 R HA 0.310 4.651 4.340 0.001 0.000 0.271 509 R C 1.376 177.663 176.300 -0.022 0.000 1.078 509 R CA 0.292 56.380 56.100 -0.020 0.000 1.127 509 R CB 0.614 30.901 30.300 -0.021 0.000 1.038 509 R HN 0.973 nan 8.270 nan 0.000 0.500 510 E N 1.877 122.065 120.200 -0.020 0.000 2.153 510 E HA -0.229 4.121 4.350 0.001 0.000 0.194 510 E C 1.317 177.903 176.600 -0.022 0.000 0.988 510 E CA 1.403 57.791 56.400 -0.019 0.000 0.811 510 E CB 0.045 29.737 29.700 -0.013 0.000 0.746 510 E HN 0.721 nan 8.360 nan 0.000 0.466 511 A N 1.075 123.881 122.820 -0.022 0.000 2.070 511 A HA -0.149 4.171 4.320 0.001 0.000 0.220 511 A C 1.805 179.369 177.584 -0.032 0.000 1.159 511 A CA 1.156 53.179 52.037 -0.023 0.000 0.656 511 A CB -0.230 18.758 19.000 -0.020 0.000 0.800 511 A HN 0.245 nan 8.150 nan 0.000 0.453 512 E N -0.304 119.874 120.200 -0.036 0.000 2.299 512 E HA -0.017 4.334 4.350 0.001 0.000 0.193 512 E C 1.704 178.264 176.600 -0.066 0.000 0.998 512 E CA 0.343 56.715 56.400 -0.048 0.000 0.851 512 E CB -0.124 29.552 29.700 -0.040 0.000 0.795 512 E HN 0.567 nan 8.360 nan 0.000 0.492 513 I N 0.618 121.152 120.570 -0.059 0.000 2.333 513 I HA -0.113 4.058 4.170 0.001 0.000 0.246 513 I C 2.541 178.611 176.117 -0.079 0.000 1.106 513 I CA 0.664 61.921 61.300 -0.071 0.000 1.411 513 I CB -0.696 37.270 38.000 -0.056 0.000 1.082 513 I HN 0.048 nan 8.210 nan 0.000 0.420 514 R N 1.362 121.829 120.500 -0.056 0.000 2.091 514 R HA -0.187 4.153 4.340 0.001 0.000 0.238 514 R C 2.279 178.539 176.300 -0.066 0.000 1.136 514 R CA 1.580 57.651 56.100 -0.048 0.000 0.959 514 R CB 0.010 30.298 30.300 -0.020 0.000 0.856 514 R HN 0.215 nan 8.270 nan 0.000 0.437 515 K N -0.115 120.243 120.400 -0.070 0.000 2.057 515 K HA -0.152 4.168 4.320 0.001 0.000 0.207 515 K C 1.965 178.472 176.600 -0.154 0.000 1.049 515 K CA 1.121 57.361 56.287 -0.080 0.000 0.931 515 K CB -0.168 32.289 32.500 -0.070 0.000 0.714 515 K HN 0.078 nan 8.250 nan 0.000 0.440 516 L N 1.547 122.642 121.223 -0.213 0.000 2.046 516 L HA -0.172 4.169 4.340 0.001 0.000 0.208 516 L C 2.025 178.605 176.870 -0.483 0.000 1.077 516 L CA 1.675 56.264 54.840 -0.418 0.000 0.747 516 L CB -0.251 41.598 42.059 -0.350 0.000 0.896 516 L HN 0.073 nan 8.230 nan 0.000 0.432 517 R N -0.910 119.451 120.500 -0.231 0.000 2.115 517 R HA -0.110 4.230 4.340 0.001 0.000 0.226 517 R C 1.794 178.021 176.300 -0.122 0.000 1.100 517 R CA 1.282 57.297 56.100 -0.142 0.000 0.980 517 R CB -0.382 29.818 30.300 -0.167 0.000 0.875 517 R HN 0.358 nan 8.270 nan 0.000 0.445 518 D N 0.604 120.959 120.400 -0.075 0.000 2.144 518 D HA -0.182 4.458 4.640 0.001 0.000 0.199 518 D C 1.897 178.264 176.300 0.111 0.000 0.984 518 D CA 1.035 55.106 54.000 0.118 0.000 0.834 518 D CB -0.006 40.850 40.800 0.093 0.000 0.955 518 D HN 0.212 nan 8.370 nan 0.000 0.465 519 Q N -0.798 118.982 119.800 -0.033 0.000 2.050 519 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 519 Q C 1.131 177.201 176.000 0.118 0.000 0.980 519 Q CA 1.179 56.960 55.803 -0.037 0.000 0.840 519 Q CB -0.055 28.553 28.738 -0.217 0.000 0.898 519 Q HN 0.351 nan 8.270 nan 0.000 0.424 520 Y N 0.549 120.883 120.300 0.057 0.000 2.529 520 Y HA 0.081 4.631 4.550 0.000 0.000 0.290 520 Y C 0.119 176.078 175.900 0.098 0.000 1.177 520 Y CA 0.549 58.684 58.100 0.059 0.000 1.305 520 Y CB -0.214 38.267 38.460 0.034 0.000 1.047 520 Y HN 0.258 nan 8.280 nan 0.000 0.522 521 D N -0.038 120.544 120.400 0.304 0.000 2.705 521 D HA -0.188 4.453 4.640 0.001 0.000 0.240 521 D C -0.941 175.610 176.300 0.418 0.000 1.137 521 D CA 0.222 54.451 54.000 0.381 0.000 0.677 521 D CB -1.204 39.731 40.800 0.225 0.000 1.049 521 D HN 0.147 nan 8.370 nan 0.000 0.427 522 L N 3.233 124.557 121.223 0.169 0.000 2.371 522 L HA 0.431 4.771 4.340 0.001 0.000 0.262 522 L C -0.954 175.756 176.870 -0.267 0.000 1.054 522 L CA -0.409 54.475 54.840 0.072 0.000 0.924 522 L CB 0.482 42.641 42.059 0.167 0.000 1.295 522 L HN 0.197 nan 8.230 nan 0.000 0.441 523 H N 3.786 122.922 119.070 0.111 0.000 2.690 523 H HA 0.568 5.125 4.556 0.001 0.000 0.368 523 H C -2.548 172.489 175.328 -0.486 0.000 1.150 523 H CA -1.851 54.149 56.048 -0.081 0.000 1.174 523 H CB 1.782 31.527 29.762 -0.029 0.000 1.684 523 H HN 0.335 nan 8.280 nan 0.000 0.538 524 P HA 0.068 nan 4.420 nan 0.000 0.274 524 P C -0.133 176.836 177.300 -0.553 0.000 1.246 524 P CA -0.416 62.090 63.100 -0.990 0.000 0.795 524 P CB 1.051 32.261 31.700 -0.818 0.000 1.006 525 V N -1.367 118.225 119.914 -0.537 0.000 2.994 525 V HA 0.567 4.687 4.120 0.001 0.000 0.318 525 V C -0.976 174.757 176.094 -0.601 0.000 1.085 525 V CA -0.963 61.128 62.300 -0.348 0.000 0.998 525 V CB 1.188 32.909 31.823 -0.170 0.000 1.063 525 V HN 0.323 nan 8.190 nan 0.000 0.447 526 Y N 1.244 121.476 120.300 -0.113 0.000 2.352 526 Y HA 0.710 5.261 4.550 0.001 0.000 0.339 526 Y C 0.426 176.157 175.900 -0.281 0.000 0.992 526 Y CA -0.697 57.301 58.100 -0.170 0.000 1.100 526 Y CB 1.860 40.309 38.460 -0.018 0.000 1.192 526 Y HN 0.553 nan 8.280 nan 0.000 0.458 527 K N 2.746 122.857 120.400 -0.481 0.000 2.288 527 K HA 0.632 4.953 4.320 0.001 0.000 0.234 527 K C -0.514 175.860 176.600 -0.375 0.000 1.037 527 K CA -1.010 55.008 56.287 -0.447 0.000 0.914 527 K CB 1.647 33.845 32.500 -0.503 0.000 1.197 527 K HN 0.686 nan 8.250 nan 0.000 0.471 528 R N -0.115 120.309 120.500 -0.127 0.000 2.803 528 R HA 0.483 4.823 4.340 0.001 0.000 0.276 528 R C -0.670 175.675 176.300 0.075 0.000 0.978 528 R CA -1.021 55.062 56.100 -0.028 0.000 0.939 528 R CB 1.818 32.114 30.300 -0.007 0.000 1.179 528 R HN 0.180 nan 8.270 nan 0.000 0.472 529 V N 2.252 122.132 119.914 -0.056 0.000 2.498 529 V HA 0.090 4.210 4.120 0.001 0.000 0.279 529 V C 0.028 176.126 176.094 0.008 0.000 1.048 529 V CA 0.326 62.569 62.300 -0.095 0.000 0.967 529 V CB 1.324 32.736 31.823 -0.685 0.000 0.988 529 V HN 0.992 nan 8.190 nan 0.000 0.473 530 D N 1.004 121.474 120.400 0.117 0.000 2.480 530 D HA 0.033 4.673 4.640 0.001 0.000 0.276 530 D C 0.869 177.267 176.300 0.163 0.000 1.294 530 D CA 0.772 54.834 54.000 0.104 0.000 0.829 530 D CB -0.001 40.864 40.800 0.108 0.000 1.242 530 D HN 0.769 nan 8.370 nan 0.000 0.513 531 T N -2.077 112.605 114.554 0.213 0.000 8.466 531 T HA -0.362 3.988 4.350 0.001 0.000 0.319 531 T C 1.134 176.043 174.700 0.348 0.000 2.022 531 T CA 1.555 63.846 62.100 0.318 0.000 3.147 531 T CB -2.871 66.290 68.868 0.488 0.000 2.153 531 T HN 0.933 nan 8.240 nan 0.000 1.109 532 C N 0.496 119.948 119.300 0.254 0.000 3.365 532 C HA 0.895 5.355 4.460 0.001 0.000 0.266 532 C C 1.785 176.839 174.990 0.107 0.000 1.631 532 C CA -0.129 59.035 59.018 0.244 0.000 1.789 532 C CB -0.416 27.540 27.740 0.360 0.000 3.088 532 C HN 2.235 nan 8.230 nan 0.000 0.547 533 A N 0.234 123.097 122.820 0.071 0.000 2.826 533 A HA 0.225 4.545 4.320 0.001 0.000 0.274 533 A C 1.574 179.165 177.584 0.011 0.000 1.443 533 A CA 1.659 53.709 52.037 0.023 0.000 0.833 533 A CB -1.925 17.066 19.000 -0.015 0.000 1.023 533 A HN 2.827 nan 8.150 nan 0.000 0.600 534 A N -2.323 120.516 122.820 0.032 0.000 3.021 534 A HA -0.297 4.024 4.320 0.001 0.000 0.257 534 A C 1.079 178.605 177.584 -0.096 0.000 1.277 534 A CA 2.159 54.197 52.037 0.003 0.000 1.012 534 A CB -2.334 16.673 19.000 0.011 0.000 1.147 534 A HN 1.889 nan 8.150 nan 0.000 0.861 535 E N -1.643 118.438 120.200 -0.199 0.000 2.333 535 E HA 0.089 4.439 4.350 0.001 0.000 0.198 535 E C 0.012 176.117 176.600 -0.825 0.000 1.007 535 E CA 0.974 57.052 56.400 -0.537 0.000 0.845 535 E CB -0.011 29.258 29.700 -0.718 0.000 0.766 535 E HN 0.748 nan 8.360 nan 0.000 0.507 536 F N -0.910 119.030 119.950 -0.017 0.000 2.599 536 F HA 0.532 5.059 4.527 0.001 0.000 0.311 536 F C 0.085 175.871 175.800 -0.025 0.000 1.076 536 F CA -1.005 56.976 58.000 -0.032 0.000 0.937 536 F CB 1.193 40.154 39.000 -0.064 0.000 1.282 536 F HN -0.207 nan 8.300 nan 0.000 0.460 537 A N 0.627 123.553 122.820 0.177 0.000 2.332 537 A HA 0.625 4.945 4.320 0.001 0.000 0.258 537 A C -0.102 177.520 177.584 0.063 0.000 1.087 537 A CA -0.104 51.985 52.037 0.087 0.000 0.802 537 A CB 0.631 19.664 19.000 0.055 0.000 1.042 537 A HN 0.752 nan 8.150 nan 0.000 0.489 538 T N -0.974 113.599 114.554 0.032 0.000 2.893 538 T HA 0.483 4.833 4.350 0.001 0.000 0.291 538 T C -0.613 174.084 174.700 -0.006 0.000 1.028 538 T CA -0.614 61.489 62.100 0.004 0.000 0.995 538 T CB 1.170 70.039 68.868 0.001 0.000 1.051 538 T HN 0.494 nan 8.240 nan 0.000 0.470 539 D N 2.173 122.560 120.400 -0.022 0.000 2.433 539 D HA 0.187 4.828 4.640 0.001 0.000 0.211 539 D C 0.161 176.451 176.300 -0.017 0.000 1.114 539 D CA 0.178 54.169 54.000 -0.016 0.000 0.837 539 D CB 0.762 41.552 40.800 -0.017 0.000 0.984 539 D HN 0.488 nan 8.370 nan 0.000 0.505 540 T N 0.652 115.188 114.554 -0.030 0.000 2.882 540 T HA 0.540 4.890 4.350 0.001 0.000 0.287 540 T C 0.251 174.956 174.700 0.008 0.000 0.992 540 T CA -0.519 61.567 62.100 -0.023 0.000 1.076 540 T CB 2.081 70.888 68.868 -0.101 0.000 0.961 540 T HN -0.053 nan 8.240 nan 0.000 0.490 541 A N 3.317 126.151 122.820 0.023 0.000 3.079 541 A HA 0.418 4.738 4.320 0.001 0.000 0.315 541 A C -0.849 176.760 177.584 0.042 0.000 1.334 541 A CA -0.488 51.545 52.037 -0.006 0.000 1.048 541 A CB -0.308 18.662 19.000 -0.051 0.000 1.156 541 A HN 0.718 nan 8.150 nan 0.000 0.523 542 Y N 2.885 123.153 120.300 -0.053 0.000 2.478 542 Y HA 0.703 5.253 4.550 0.001 0.000 0.329 542 Y C -0.627 175.274 175.900 0.002 0.000 0.967 542 Y CA -1.774 56.334 58.100 0.014 0.000 1.255 542 Y CB 0.569 39.083 38.460 0.090 0.000 1.103 542 Y HN 0.561 nan 8.280 nan 0.000 0.497 543 M N 6.520 126.252 119.600 0.221 0.000 2.716 543 M HA 0.521 5.002 4.480 0.001 0.000 0.307 543 M C -1.530 174.981 176.300 0.352 0.000 1.223 543 M CA -1.118 54.239 55.300 0.095 0.000 0.871 543 M CB 2.791 35.269 32.600 -0.204 0.000 1.739 543 M HN 0.512 nan 8.290 nan 0.000 0.475 544 Y N -1.527 118.910 120.300 0.228 0.000 2.534 544 Y HA 0.789 5.340 4.550 0.001 0.000 0.345 544 Y C -0.682 175.340 175.900 0.204 0.000 1.031 544 Y CA -1.465 56.784 58.100 0.248 0.000 1.022 544 Y CB 0.799 39.288 38.460 0.048 0.000 1.292 544 Y HN 0.719 nan 8.280 nan 0.000 0.459 545 S N 1.642 117.454 115.700 0.186 0.000 2.610 545 S HA 0.807 5.277 4.470 0.001 0.000 0.273 545 S C -0.303 174.261 174.600 -0.060 0.000 1.274 545 S CA 0.132 58.165 58.200 -0.279 0.000 1.023 545 S CB 1.692 64.751 63.200 -0.234 0.000 0.962 545 S HN 1.193 nan 8.310 nan 0.000 0.523 546 T N 0.539 114.963 114.554 -0.216 0.000 2.775 546 T HA 0.410 4.760 4.350 0.001 0.000 0.320 546 T C -2.249 172.381 174.700 -0.118 0.000 1.597 546 T CA -0.578 61.526 62.100 0.007 0.000 1.022 546 T CB 0.603 69.533 68.868 0.103 0.000 1.485 546 T HN 0.562 nan 8.240 nan 0.000 0.494 547 Y N 2.290 122.580 120.300 -0.017 0.000 2.880 547 Y HA 0.563 5.113 4.550 0.001 0.000 0.329 547 Y C 0.804 176.707 175.900 0.006 0.000 1.156 547 Y CA -0.367 57.727 58.100 -0.011 0.000 1.348 547 Y CB 0.534 39.000 38.460 0.011 0.000 1.280 547 Y HN 0.588 nan 8.280 nan 0.000 0.516 548 E N -0.003 120.204 120.200 0.011 0.000 2.524 548 E HA 0.302 4.652 4.350 0.001 0.000 0.219 548 E C 0.499 177.108 176.600 0.015 0.000 0.776 548 E CA -0.554 55.868 56.400 0.037 0.000 0.944 548 E CB 1.249 30.973 29.700 0.039 0.000 1.719 548 E HN 0.286 nan 8.360 nan 0.000 0.384 549 E N 0.723 120.934 120.200 0.018 0.000 2.035 549 E HA 0.003 4.354 4.350 0.001 0.000 0.191 549 E C 0.027 176.628 176.600 0.002 0.000 0.966 549 E CA 0.501 56.911 56.400 0.015 0.000 0.823 549 E CB 0.011 29.725 29.700 0.023 0.000 0.791 549 E HN 0.356 nan 8.360 nan 0.000 0.459 550 E N 0.535 120.736 120.200 0.000 0.000 2.331 550 E HA 0.124 4.474 4.350 0.001 0.000 0.272 550 E C -1.092 175.499 176.600 -0.015 0.000 1.036 550 E CA -0.198 56.200 56.400 -0.002 0.000 0.864 550 E CB 1.139 30.841 29.700 0.003 0.000 1.035 550 E HN 0.052 nan 8.360 nan 0.000 0.408 551 C N 4.055 123.354 119.300 -0.002 0.000 2.376 551 C HA 0.357 4.818 4.460 0.001 0.000 0.335 551 C C 0.289 175.294 174.990 0.025 0.000 1.229 551 C CA -0.281 58.746 59.018 0.015 0.000 1.867 551 C CB 0.227 27.993 27.740 0.045 0.000 2.319 551 C HN 0.919 nan 8.230 nan 0.000 0.515 552 E N 2.794 123.014 120.200 0.033 0.000 2.660 552 E HA 0.157 4.508 4.350 0.001 0.000 0.216 552 E C 1.352 177.969 176.600 0.028 0.000 0.986 552 E CA 0.194 56.606 56.400 0.020 0.000 1.037 552 E CB 0.567 30.265 29.700 -0.004 0.000 1.041 552 E HN 0.767 nan 8.360 nan 0.000 0.480 553 A N 2.216 125.079 122.820 0.071 0.000 1.865 553 A HA -0.227 4.093 4.320 0.001 0.000 0.217 553 A C 0.921 178.513 177.584 0.014 0.000 1.191 553 A CA 1.041 53.104 52.037 0.043 0.000 0.623 553 A CB -0.453 18.605 19.000 0.098 0.000 0.826 553 A HN 0.342 nan 8.150 nan 0.000 0.444 554 N N -0.500 118.216 118.700 0.026 0.000 2.686 554 N HA -0.110 4.631 4.740 0.001 0.000 0.261 554 N C -2.522 172.996 175.510 0.013 0.000 1.001 554 N CA 1.183 54.243 53.050 0.017 0.000 0.764 554 N CB -1.745 36.748 38.487 0.011 0.000 0.898 554 N HN 0.451 nan 8.380 nan 0.000 0.544 555 P HA 0.112 nan 4.420 nan 0.000 0.268 555 P C 0.185 177.495 177.300 0.017 0.000 1.205 555 P CA 0.098 63.211 63.100 0.023 0.000 0.771 555 P CB 0.701 32.416 31.700 0.025 0.000 0.858 556 S N 0.759 116.471 115.700 0.019 0.000 2.564 556 S HA 0.193 4.663 4.470 0.001 0.000 0.278 556 S C 1.442 176.051 174.600 0.015 0.000 1.333 556 S CA 0.102 58.311 58.200 0.016 0.000 1.048 556 S CB 0.257 63.469 63.200 0.019 0.000 0.900 556 S HN 0.676 nan 8.310 nan 0.000 0.505 557 T N -0.738 113.823 114.554 0.011 0.000 2.990 557 T HA 0.100 4.451 4.350 0.001 0.000 0.249 557 T C 1.068 175.773 174.700 0.009 0.000 1.039 557 T CA 0.113 62.218 62.100 0.009 0.000 1.036 557 T CB -0.196 68.676 68.868 0.006 0.000 0.994 557 T HN 0.420 nan 8.240 nan 0.000 0.489 558 D N 2.387 122.792 120.400 0.008 0.000 2.137 558 D HA -0.075 4.565 4.640 0.001 0.000 0.189 558 D C 1.329 177.631 176.300 0.003 0.000 0.998 558 D CA 1.364 55.366 54.000 0.004 0.000 0.839 558 D CB 0.151 40.953 40.800 0.004 0.000 0.962 558 D HN 0.538 nan 8.370 nan 0.000 0.446 559 R N -0.244 120.263 120.500 0.011 0.000 2.843 559 R HA 0.512 4.853 4.340 0.001 0.000 0.232 559 R C -0.199 176.123 176.300 0.037 0.000 1.305 559 R CA -0.727 55.380 56.100 0.013 0.000 1.096 559 R CB 0.478 30.786 30.300 0.013 0.000 1.455 559 R HN 0.008 nan 8.270 nan 0.000 0.520 560 E N 1.655 121.889 120.200 0.057 0.000 2.081 560 E HA 0.157 4.507 4.350 0.001 0.000 0.281 560 E C -0.915 175.820 176.600 0.225 0.000 0.986 560 E CA -0.285 56.196 56.400 0.135 0.000 0.796 560 E CB 1.285 31.091 29.700 0.178 0.000 1.085 560 E HN 0.182 nan 8.360 nan 0.000 0.398 561 K N 2.937 123.421 120.400 0.141 0.000 2.138 561 K HA 0.479 4.800 4.320 0.001 0.000 0.263 561 K C -0.284 176.342 176.600 0.043 0.000 0.965 561 K CA -0.639 55.712 56.287 0.107 0.000 0.868 561 K CB 1.566 34.101 32.500 0.058 0.000 1.083 561 K HN 0.320 nan 8.250 nan 0.000 0.443 562 I N 3.434 124.003 120.570 -0.001 0.000 2.389 562 I HA 0.274 4.444 4.170 0.001 0.000 0.288 562 I C -0.512 175.568 176.117 -0.061 0.000 0.999 562 I CA -0.573 60.665 61.300 -0.103 0.000 1.129 562 I CB 1.456 39.297 38.000 -0.265 0.000 1.288 562 I HN 0.703 nan 8.210 nan 0.000 0.444 563 M N 6.963 126.524 119.600 -0.065 0.000 2.264 563 M HA 0.546 5.027 4.480 0.001 0.000 0.352 563 M C -1.412 174.850 176.300 -0.063 0.000 1.173 563 M CA -0.358 54.914 55.300 -0.047 0.000 1.075 563 M CB 1.489 34.056 32.600 -0.055 0.000 1.621 563 M HN 0.325 nan 8.290 nan 0.000 0.457 564 V N 6.508 126.398 119.914 -0.039 0.000 2.487 564 V HA 0.413 4.534 4.120 0.001 0.000 0.298 564 V C -0.456 175.629 176.094 -0.016 0.000 1.028 564 V CA -0.784 61.492 62.300 -0.040 0.000 0.860 564 V CB 1.669 33.481 31.823 -0.019 0.000 0.991 564 V HN 0.793 nan 8.190 nan 0.000 0.427 565 L N 4.486 125.700 121.223 -0.016 0.000 2.276 565 L HA 0.648 4.989 4.340 0.001 0.000 0.286 565 L C 1.094 177.971 176.870 0.012 0.000 1.061 565 L CA -0.111 54.723 54.840 -0.010 0.000 0.807 565 L CB 0.982 43.029 42.059 -0.020 0.000 1.177 565 L HN 0.760 nan 8.230 nan 0.000 0.429 566 G N 1.467 110.265 108.800 -0.003 0.000 2.535 566 G HA2 0.359 4.320 3.960 0.001 0.000 0.282 566 G HA3 0.359 4.320 3.960 0.001 0.000 0.282 566 G C 0.836 175.729 174.900 -0.012 0.000 1.350 566 G CA 0.047 45.151 45.100 0.006 0.000 1.039 566 G HN 0.768 nan 8.290 nan 0.000 0.509 567 G N -1.835 106.961 108.800 -0.008 0.000 2.986 567 G HA2 0.491 4.451 3.960 0.001 0.000 0.213 567 G HA3 0.491 4.451 3.960 0.001 0.000 0.213 567 G C 1.018 175.891 174.900 -0.045 0.000 1.156 567 G CA 0.897 45.977 45.100 -0.034 0.000 0.763 567 G HN 1.877 nan 8.290 nan 0.000 0.547 568 G N 0.518 109.285 108.800 -0.056 0.000 2.593 568 G HA2 -0.155 3.805 3.960 0.001 0.000 0.237 568 G HA3 -0.155 3.805 3.960 0.001 0.000 0.237 568 G C -2.555 172.321 174.900 -0.040 0.000 1.312 568 G CA -0.348 44.718 45.100 -0.057 0.000 0.896 568 G HN 0.333 nan 8.290 nan 0.000 0.574 569 P HA 0.179 nan 4.420 nan 0.000 0.267 569 P C 0.028 177.318 177.300 -0.017 0.000 1.200 569 P CA 0.101 63.188 63.100 -0.021 0.000 0.772 569 P CB 0.179 31.870 31.700 -0.016 0.000 0.855 570 N N 1.780 120.471 118.700 -0.015 0.000 2.483 570 N HA 0.447 5.187 4.740 0.001 0.000 0.269 570 N C 0.148 175.652 175.510 -0.009 0.000 1.209 570 N CA -0.321 52.730 53.050 0.002 0.000 0.969 570 N CB 0.516 39.008 38.487 0.008 0.000 1.173 570 N HN 0.398 nan 8.380 nan 0.000 0.475 571 R N -0.166 120.338 120.500 0.007 0.000 2.756 571 R HA 0.426 4.766 4.340 0.001 0.000 0.273 571 R C -1.350 174.955 176.300 0.009 0.000 1.030 571 R CA -0.851 55.247 56.100 -0.003 0.000 0.887 571 R CB 0.338 30.631 30.300 -0.011 0.000 1.274 571 R HN 0.314 nan 8.270 nan 0.000 0.461 572 I N 1.852 122.424 120.570 0.003 0.000 2.662 572 I HA 0.231 4.401 4.170 0.001 0.000 0.285 572 I C 1.070 177.169 176.117 -0.029 0.000 1.161 572 I CA 1.699 62.995 61.300 -0.007 0.000 1.415 572 I CB 0.351 38.352 38.000 0.001 0.000 1.385 572 I HN 1.030 nan 8.210 nan 0.000 0.552 573 G N 4.868 113.659 108.800 -0.015 0.000 2.234 573 G HA2 -0.223 3.737 3.960 0.001 0.000 0.235 573 G HA3 -0.223 3.737 3.960 0.001 0.000 0.235 573 G C 0.318 175.302 174.900 0.139 0.000 0.997 573 G CA -0.399 44.705 45.100 0.006 0.000 0.623 573 G HN 0.584 nan 8.290 nan 0.000 0.514 574 Q N 0.867 120.741 119.800 0.122 0.000 2.932 574 Q HA 0.525 4.866 4.340 0.001 0.000 0.248 574 Q C 0.481 176.618 176.000 0.228 0.000 0.982 574 Q CA 0.284 56.207 55.803 0.200 0.000 0.730 574 Q CB 1.210 29.938 28.738 -0.016 0.000 1.249 574 Q HN 0.506 nan 8.270 nan 0.000 0.476 575 G N 0.427 109.401 108.800 0.291 0.000 2.990 575 G HA2 0.307 4.267 3.960 0.001 0.000 0.208 575 G HA3 0.307 4.267 3.960 0.001 0.000 0.208 575 G C 0.687 175.669 174.900 0.137 0.000 1.334 575 G CA -0.555 44.631 45.100 0.143 0.000 1.024 575 G HN 0.518 nan 8.290 nan 0.000 0.574 576 I N 0.097 120.695 120.570 0.046 0.000 2.399 576 I HA -0.201 3.970 4.170 0.001 0.000 0.254 576 I C 2.538 178.648 176.117 -0.012 0.000 1.146 576 I CA 1.638 62.958 61.300 0.034 0.000 1.412 576 I CB -0.035 37.979 38.000 0.024 0.000 1.076 576 I HN 0.558 nan 8.210 nan 0.000 0.432 577 E N 0.640 120.741 120.200 -0.165 0.000 2.070 577 E HA -0.262 4.089 4.350 0.001 0.000 0.197 577 E C 1.864 178.266 176.600 -0.330 0.000 1.004 577 E CA 1.981 58.156 56.400 -0.376 0.000 0.805 577 E CB -0.428 28.867 29.700 -0.675 0.000 0.744 577 E HN 0.509 nan 8.360 nan 0.000 0.451 578 F N 0.587 120.536 119.950 -0.001 0.000 2.134 578 F HA -0.116 4.412 4.527 0.001 0.000 0.299 578 F C 2.156 177.980 175.800 0.040 0.000 1.097 578 F CA 1.412 59.415 58.000 0.005 0.000 1.264 578 F CB -0.693 38.307 39.000 0.000 0.000 1.001 578 F HN 0.041 nan 8.300 nan 0.000 0.479 579 D N -0.947 119.561 120.400 0.179 0.000 2.117 579 D HA -0.287 4.353 4.640 0.001 0.000 0.197 579 D C 2.201 178.567 176.300 0.109 0.000 0.987 579 D CA 1.129 55.206 54.000 0.129 0.000 0.829 579 D CB -0.405 40.453 40.800 0.098 0.000 0.961 579 D HN 0.302 nan 8.370 nan 0.000 0.460 580 Y N 0.534 120.804 120.300 -0.050 0.000 2.151 580 Y HA -0.289 4.261 4.550 0.001 0.000 0.284 580 Y C 2.225 178.029 175.900 -0.159 0.000 1.166 580 Y CA 1.675 59.700 58.100 -0.124 0.000 1.163 580 Y CB -0.625 37.720 38.460 -0.192 0.000 0.974 580 Y HN 0.169 nan 8.280 nan 0.000 0.511 581 C N -0.540 118.814 119.300 0.089 0.000 2.436 581 C HA -0.239 4.221 4.460 0.001 0.000 0.277 581 C C 2.965 178.031 174.990 0.126 0.000 1.241 581 C CA 1.287 60.275 59.018 -0.050 0.000 1.721 581 C CB -1.636 25.929 27.740 -0.292 0.000 2.043 581 C HN 0.803 nan 8.230 nan 0.000 0.472 582 C N 0.259 119.680 119.300 0.200 0.000 2.411 582 C HA -0.075 4.386 4.460 0.001 0.000 0.279 582 C C 2.661 177.741 174.990 0.150 0.000 1.288 582 C CA 0.827 59.993 59.018 0.246 0.000 1.764 582 C CB -1.496 26.346 27.740 0.171 0.000 1.974 582 C HN 0.551 nan 8.230 nan 0.000 0.498 583 V N -0.090 119.867 119.914 0.071 0.000 2.343 583 V HA -0.242 3.878 4.120 0.001 0.000 0.247 583 V C 2.332 178.492 176.094 0.110 0.000 1.051 583 V CA 1.992 64.321 62.300 0.049 0.000 1.036 583 V CB -0.899 30.916 31.823 -0.013 0.000 0.654 583 V HN 0.666 nan 8.190 nan 0.000 0.451 584 H N -0.350 118.652 119.070 -0.113 0.000 2.357 584 H HA -0.091 4.465 4.556 0.001 0.000 0.301 584 H C 2.373 177.726 175.328 0.043 0.000 1.082 584 H CA 1.099 57.100 56.048 -0.077 0.000 1.342 584 H CB 0.083 29.772 29.762 -0.123 0.000 1.389 584 H HN 0.471 nan 8.280 nan 0.000 0.511 585 A N 0.264 123.251 122.820 0.277 0.000 1.883 585 A HA -0.221 4.099 4.320 0.001 0.000 0.217 585 A C 2.563 180.185 177.584 0.064 0.000 1.186 585 A CA 1.931 54.072 52.037 0.172 0.000 0.624 585 A CB -0.832 18.237 19.000 0.116 0.000 0.822 585 A HN 0.346 nan 8.150 nan 0.000 0.444 586 S N -0.924 114.816 115.700 0.066 0.000 2.356 586 S HA -0.114 4.356 4.470 0.001 0.000 0.223 586 S C 1.899 176.518 174.600 0.032 0.000 1.032 586 S CA 1.466 59.689 58.200 0.038 0.000 1.005 586 S CB -0.438 62.786 63.200 0.040 0.000 0.867 586 S HN 0.298 nan 8.310 nan 0.000 0.449 587 L N 1.813 123.047 121.223 0.020 0.000 1.990 587 L HA -0.091 4.249 4.340 0.001 0.000 0.213 587 L C 2.760 179.619 176.870 -0.019 0.000 1.072 587 L CA 2.134 56.963 54.840 -0.017 0.000 0.755 587 L CB -1.672 40.337 42.059 -0.084 0.000 0.889 587 L HN 0.383 nan 8.230 nan 0.000 0.432 588 A N -0.723 122.086 122.820 -0.018 0.000 1.841 588 A HA -0.189 4.131 4.320 0.001 0.000 0.216 588 A C 2.259 179.873 177.584 0.049 0.000 1.199 588 A CA 1.825 53.862 52.037 -0.000 0.000 0.621 588 A CB -0.951 18.058 19.000 0.015 0.000 0.835 588 A HN 0.385 nan 8.150 nan 0.000 0.445 589 L N -1.231 120.031 121.223 0.065 0.000 2.191 589 L HA -0.173 4.168 4.340 0.001 0.000 0.212 589 L C 2.800 179.796 176.870 0.210 0.000 1.103 589 L CA 1.423 56.355 54.840 0.153 0.000 0.769 589 L CB -0.616 41.448 42.059 0.007 0.000 0.908 589 L HN 0.477 nan 8.230 nan 0.000 0.438 590 R N 0.663 121.229 120.500 0.110 0.000 2.061 590 R HA -0.223 4.118 4.340 0.001 0.000 0.230 590 R C 2.182 178.518 176.300 0.060 0.000 1.140 590 R CA 1.770 57.922 56.100 0.088 0.000 0.940 590 R CB -0.111 30.220 30.300 0.052 0.000 0.839 590 R HN 0.187 nan 8.270 nan 0.000 0.429 591 E N 0.371 120.594 120.200 0.040 0.000 2.233 591 E HA -0.211 4.140 4.350 0.001 0.000 0.199 591 E C 0.808 177.420 176.600 0.019 0.000 1.004 591 E CA 1.838 58.249 56.400 0.019 0.000 0.819 591 E CB -0.031 29.674 29.700 0.008 0.000 0.738 591 E HN 0.293 nan 8.360 nan 0.000 0.478 592 D N -1.785 118.647 120.400 0.053 0.000 2.349 592 D HA 0.125 4.766 4.640 0.001 0.000 0.224 592 D C 0.902 177.157 176.300 -0.074 0.000 1.029 592 D CA 0.918 54.941 54.000 0.038 0.000 0.879 592 D CB 0.457 41.352 40.800 0.158 0.000 0.906 592 D HN 0.318 nan 8.370 nan 0.000 0.528 593 G N -0.612 108.160 108.800 -0.047 0.000 2.157 593 G HA2 -0.304 3.656 3.960 0.001 0.000 0.248 593 G HA3 -0.304 3.656 3.960 0.001 0.000 0.248 593 G C 0.057 174.870 174.900 -0.145 0.000 0.979 593 G CA -0.250 44.785 45.100 -0.108 0.000 0.650 593 G HN 0.286 nan 8.290 nan 0.000 0.529 594 Y N 0.432 120.730 120.300 -0.003 0.000 2.281 594 Y HA 0.484 5.034 4.550 0.001 0.000 0.337 594 Y C 1.063 176.964 175.900 0.001 0.000 1.304 594 Y CA 0.031 58.129 58.100 -0.003 0.000 1.465 594 Y CB 0.585 39.042 38.460 -0.006 0.000 1.350 594 Y HN 0.184 nan 8.280 nan 0.000 0.575 595 E N 1.129 121.451 120.200 0.204 0.000 2.081 595 E HA 0.178 4.528 4.350 0.001 0.000 0.281 595 E C -1.014 175.651 176.600 0.109 0.000 0.986 595 E CA -0.576 55.893 56.400 0.116 0.000 0.796 595 E CB 0.497 30.244 29.700 0.079 0.000 1.085 595 E HN 0.643 nan 8.360 nan 0.000 0.398 596 T N 2.491 117.097 114.554 0.086 0.000 2.771 596 T HA 0.503 4.853 4.350 0.001 0.000 0.291 596 T C 0.100 174.835 174.700 0.058 0.000 0.954 596 T CA -0.651 61.485 62.100 0.060 0.000 1.045 596 T CB 0.422 69.320 68.868 0.051 0.000 0.917 596 T HN 0.313 nan 8.240 nan 0.000 0.484 597 I N 3.648 124.250 120.570 0.053 0.000 2.418 597 I HA 0.419 4.589 4.170 0.001 0.000 0.287 597 I C -0.318 175.840 176.117 0.068 0.000 1.008 597 I CA -0.978 60.374 61.300 0.085 0.000 1.104 597 I CB 1.977 40.040 38.000 0.105 0.000 1.264 597 I HN 0.574 nan 8.210 nan 0.000 0.438 598 M N 7.676 127.328 119.600 0.086 0.000 2.336 598 M HA 0.538 5.018 4.480 0.001 0.000 0.342 598 M C -1.394 174.959 176.300 0.088 0.000 1.128 598 M CA -0.381 54.955 55.300 0.059 0.000 1.016 598 M CB 1.553 34.173 32.600 0.033 0.000 1.665 598 M HN 0.275 nan 8.290 nan 0.000 0.445 599 V N 5.601 125.537 119.914 0.037 0.000 2.376 599 V HA 0.692 4.812 4.120 0.001 0.000 0.287 599 V C -0.628 175.435 176.094 -0.051 0.000 1.015 599 V CA -0.552 61.763 62.300 0.024 0.000 0.834 599 V CB 1.107 32.926 31.823 -0.006 0.000 1.001 599 V HN 0.943 nan 8.190 nan 0.000 0.428 600 N N 2.530 121.147 118.700 -0.137 0.000 3.127 600 N HA 0.465 5.205 4.740 0.001 0.000 0.239 600 N C -0.355 174.774 175.510 -0.634 0.000 1.407 600 N CA -0.106 52.785 53.050 -0.264 0.000 0.891 600 N CB 1.941 40.313 38.487 -0.192 0.000 1.447 600 N HN 0.666 nan 8.380 nan 0.000 0.507 601 C N -0.398 118.533 119.300 -0.616 0.000 3.596 601 C HA 0.517 4.977 4.460 0.001 0.000 0.268 601 C C -0.028 174.749 174.990 -0.356 0.000 1.912 601 C CA -0.888 57.586 59.018 -0.906 0.000 1.721 601 C CB -1.494 26.051 27.740 -0.325 0.000 3.328 601 C HN 0.595 nan 8.230 nan 0.000 0.500 602 N N 2.897 121.452 118.700 -0.241 0.000 2.420 602 N HA 0.380 5.121 4.740 0.001 0.000 0.249 602 N C -1.187 174.344 175.510 0.036 0.000 1.033 602 N CA -2.128 50.894 53.050 -0.047 0.000 0.944 602 N CB 1.669 40.122 38.487 -0.056 0.000 1.113 602 N HN 0.189 nan 8.380 nan 0.000 0.502 603 P HA -0.130 nan 4.420 nan 0.000 0.216 603 P C 0.280 177.480 177.300 -0.167 0.000 1.153 603 P CA 1.337 64.502 63.100 0.109 0.000 0.848 603 P CB 0.178 31.914 31.700 0.060 0.000 0.787 604 E N 0.027 120.143 120.200 -0.139 0.000 2.501 604 E HA -0.071 4.279 4.350 0.001 0.000 0.203 604 E C 0.523 177.033 176.600 -0.150 0.000 1.072 604 E CA 0.751 57.047 56.400 -0.173 0.000 0.885 604 E CB -0.816 28.828 29.700 -0.094 0.000 0.813 604 E HN 0.420 nan 8.360 nan 0.000 0.556 605 T N -2.738 111.723 114.554 -0.155 0.000 2.902 605 T HA 0.294 4.645 4.350 0.001 0.000 0.283 605 T C 1.204 175.917 174.700 0.021 0.000 1.009 605 T CA -0.875 61.202 62.100 -0.038 0.000 1.051 605 T CB 2.118 70.974 68.868 -0.019 0.000 0.999 605 T HN -0.188 nan 8.240 nan 0.000 0.474 606 V N 1.981 121.976 119.914 0.136 0.000 2.809 606 V HA -0.126 3.994 4.120 0.001 0.000 0.256 606 V C 2.930 179.071 176.094 0.077 0.000 1.080 606 V CA 1.824 64.229 62.300 0.175 0.000 1.102 606 V CB -1.159 30.744 31.823 0.133 0.000 0.705 606 V HN 1.081 nan 8.190 nan 0.000 0.475 607 S N 1.085 116.809 115.700 0.040 0.000 2.423 607 S HA -0.154 4.316 4.470 0.001 0.000 0.231 607 S C 1.717 176.309 174.600 -0.014 0.000 1.014 607 S CA 1.410 59.620 58.200 0.016 0.000 0.965 607 S CB -0.780 62.430 63.200 0.018 0.000 0.785 607 S HN 0.708 nan 8.310 nan 0.000 0.495 608 T N -0.758 113.779 114.554 -0.029 0.000 3.278 608 T HA 0.244 4.595 4.350 0.001 0.000 0.251 608 T C -0.209 174.453 174.700 -0.062 0.000 1.039 608 T CA -0.457 61.623 62.100 -0.032 0.000 0.935 608 T CB -0.256 68.644 68.868 0.054 0.000 1.034 608 T HN 0.211 nan 8.240 nan 0.000 0.575 609 D N 1.398 121.771 120.400 -0.045 0.000 2.232 609 D HA 0.150 4.790 4.640 0.001 0.000 0.242 609 D C 1.033 177.247 176.300 -0.143 0.000 1.093 609 D CA -1.023 52.929 54.000 -0.080 0.000 0.845 609 D CB 0.943 41.771 40.800 0.048 0.000 1.124 609 D HN 0.380 nan 8.370 nan 0.000 0.467 610 Y N 1.960 122.227 120.300 -0.055 0.000 2.384 610 Y HA -0.097 4.453 4.550 0.001 0.000 0.289 610 Y C 1.215 177.116 175.900 0.002 0.000 1.152 610 Y CA 0.892 58.958 58.100 -0.056 0.000 1.258 610 Y CB -0.385 38.077 38.460 0.004 0.000 0.979 610 Y HN 0.251 nan 8.280 nan 0.000 0.549 611 D N 0.209 120.589 120.400 -0.034 0.000 2.194 611 D HA -0.094 4.546 4.640 0.001 0.000 0.204 611 D C 1.841 178.159 176.300 0.031 0.000 0.964 611 D CA 1.590 55.617 54.000 0.046 0.000 0.846 611 D CB -0.184 40.598 40.800 -0.030 0.000 0.962 611 D HN 0.470 nan 8.370 nan 0.000 0.490 612 T N 0.663 115.219 114.554 0.004 0.000 2.699 612 T HA -0.094 4.256 4.350 0.001 0.000 0.268 612 T C 1.290 176.007 174.700 0.028 0.000 1.036 612 T CA 1.136 63.244 62.100 0.013 0.000 1.147 612 T CB 0.043 68.917 68.868 0.010 0.000 0.862 612 T HN 0.204 nan 8.240 nan 0.000 0.446 613 S N -0.176 115.547 115.700 0.037 0.000 2.704 613 S HA 0.472 4.943 4.470 0.001 0.000 0.296 613 S C 0.080 174.711 174.600 0.052 0.000 1.138 613 S CA -0.996 57.229 58.200 0.043 0.000 0.875 613 S CB 1.839 65.062 63.200 0.039 0.000 1.151 613 S HN -0.058 nan 8.310 nan 0.000 0.500 614 D N 0.540 120.969 120.400 0.050 0.000 2.137 614 D HA 0.095 4.736 4.640 0.001 0.000 0.202 614 D C 0.173 176.495 176.300 0.036 0.000 0.970 614 D CA 1.107 55.135 54.000 0.046 0.000 0.837 614 D CB 0.168 40.997 40.800 0.047 0.000 0.981 614 D HN 0.423 nan 8.370 nan 0.000 0.475 615 R N 0.087 120.608 120.500 0.035 0.000 2.532 615 R HA 0.487 4.827 4.340 0.001 0.000 0.297 615 R C -1.219 175.082 176.300 0.002 0.000 0.984 615 R CA -0.754 55.343 56.100 -0.005 0.000 0.884 615 R CB 2.397 32.700 30.300 0.005 0.000 1.182 615 R HN -0.086 nan 8.270 nan 0.000 0.442 616 L N 3.188 124.373 121.223 -0.064 0.000 2.349 616 L HA 0.446 4.786 4.340 0.001 0.000 0.278 616 L C -1.687 175.152 176.870 -0.051 0.000 0.996 616 L CA -0.448 54.386 54.840 -0.009 0.000 0.825 616 L CB 0.987 43.029 42.059 -0.030 0.000 1.243 616 L HN 0.518 nan 8.230 nan 0.000 0.412 617 Y N 5.328 125.691 120.300 0.104 0.000 2.491 617 Y HA 0.311 4.862 4.550 0.001 0.000 0.334 617 Y C -0.310 175.706 175.900 0.192 0.000 0.969 617 Y CA -0.251 57.944 58.100 0.158 0.000 1.241 617 Y CB 0.947 39.436 38.460 0.048 0.000 1.105 617 Y HN 0.551 nan 8.280 nan 0.000 0.503 618 F N 4.567 124.716 119.950 0.332 0.000 2.678 618 F HA 0.217 4.744 4.527 0.000 0.000 0.358 618 F C 0.022 175.971 175.800 0.249 0.000 1.256 618 F CA -0.097 58.067 58.000 0.273 0.000 1.278 618 F CB -0.334 38.898 39.000 0.387 0.000 1.681 618 F HN 0.406 nan 8.300 nan 0.000 0.661 619 E N 3.550 123.846 120.200 0.160 0.000 2.299 619 E HA 0.386 4.736 4.350 0.001 0.000 0.265 619 E C -2.615 174.014 176.600 0.048 0.000 0.911 619 E CA -2.417 54.088 56.400 0.176 0.000 0.789 619 E CB 1.293 31.126 29.700 0.221 0.000 1.246 619 E HN 0.076 nan 8.360 nan 0.000 0.427 620 P HA 0.028 nan 4.420 nan 0.000 0.268 620 P C -0.017 177.291 177.300 0.014 0.000 1.204 620 P CA -0.080 63.039 63.100 0.032 0.000 0.768 620 P CB 0.386 32.114 31.700 0.046 0.000 0.842 621 V N 3.809 123.715 119.914 -0.013 0.000 2.055 621 V HA 0.102 4.222 4.120 0.001 0.000 0.248 621 V C 1.072 177.160 176.094 -0.011 0.000 1.476 621 V CA 0.388 62.676 62.300 -0.019 0.000 1.417 621 V CB -1.425 30.376 31.823 -0.037 0.000 1.465 621 V HN 0.692 nan 8.190 nan 0.000 0.502 622 T N -0.502 114.053 114.554 0.002 0.000 2.910 622 T HA 0.542 4.893 4.350 0.001 0.000 0.287 622 T C 0.691 175.392 174.700 0.003 0.000 1.050 622 T CA -0.681 61.421 62.100 0.003 0.000 1.011 622 T CB 1.994 70.871 68.868 0.015 0.000 1.195 622 T HN 0.071 nan 8.240 nan 0.000 0.540 623 L N 0.678 121.901 121.223 0.001 0.000 2.027 623 L HA 0.116 4.456 4.340 0.001 0.000 0.206 623 L C 2.717 179.595 176.870 0.012 0.000 1.074 623 L CA 2.259 57.099 54.840 0.000 0.000 0.745 623 L CB -0.920 41.136 42.059 -0.005 0.000 0.898 623 L HN 0.991 nan 8.230 nan 0.000 0.433 624 E N -0.606 119.608 120.200 0.023 0.000 2.023 624 E HA -0.272 4.078 4.350 0.001 0.000 0.196 624 E C 1.703 178.337 176.600 0.055 0.000 1.003 624 E CA 1.859 58.283 56.400 0.041 0.000 0.809 624 E CB -0.254 29.476 29.700 0.049 0.000 0.755 624 E HN 0.592 nan 8.360 nan 0.000 0.449 625 D N 0.136 120.570 120.400 0.057 0.000 2.182 625 D HA -0.139 4.501 4.640 0.001 0.000 0.201 625 D C 2.104 178.426 176.300 0.037 0.000 0.986 625 D CA 1.137 55.181 54.000 0.073 0.000 0.847 625 D CB 0.068 40.919 40.800 0.085 0.000 0.942 625 D HN 0.180 nan 8.370 nan 0.000 0.467 626 V N 1.192 121.108 119.914 0.004 0.000 2.591 626 V HA -0.112 4.008 4.120 0.001 0.000 0.249 626 V C 2.535 178.604 176.094 -0.041 0.000 1.053 626 V CA 0.651 62.928 62.300 -0.038 0.000 1.068 626 V CB -0.150 31.651 31.823 -0.036 0.000 0.689 626 V HN 0.174 nan 8.190 nan 0.000 0.462 627 L N -0.533 120.687 121.223 -0.005 0.000 2.109 627 L HA -0.065 4.275 4.340 0.001 0.000 0.207 627 L C 2.679 179.562 176.870 0.021 0.000 1.086 627 L CA 1.081 55.924 54.840 0.005 0.000 0.760 627 L CB -0.448 41.625 42.059 0.023 0.000 0.910 627 L HN 0.303 nan 8.230 nan 0.000 0.437 628 E N 0.271 120.505 120.200 0.057 0.000 2.153 628 E HA -0.162 4.189 4.350 0.001 0.000 0.194 628 E C 2.202 178.833 176.600 0.052 0.000 0.988 628 E CA 1.118 57.585 56.400 0.112 0.000 0.811 628 E CB -0.052 29.757 29.700 0.180 0.000 0.746 628 E HN 0.531 nan 8.360 nan 0.000 0.466 629 I N 0.043 120.565 120.570 -0.080 0.000 2.286 629 I HA -0.192 3.978 4.170 0.001 0.000 0.245 629 I C 2.347 178.316 176.117 -0.245 0.000 1.104 629 I CA 0.457 61.554 61.300 -0.339 0.000 1.397 629 I CB -0.117 37.529 38.000 -0.589 0.000 1.072 629 I HN -0.084 nan 8.210 nan 0.000 0.417 630 V N 1.037 120.861 119.914 -0.150 0.000 2.343 630 V HA -0.298 3.823 4.120 0.001 0.000 0.247 630 V C 2.658 178.713 176.094 -0.064 0.000 1.051 630 V CA 1.882 64.123 62.300 -0.099 0.000 1.036 630 V CB -0.759 31.025 31.823 -0.065 0.000 0.654 630 V HN 0.423 nan 8.190 nan 0.000 0.451 631 R N 0.414 120.889 120.500 -0.042 0.000 2.117 631 R HA -0.196 4.145 4.340 0.001 0.000 0.243 631 R C 2.224 178.504 176.300 -0.033 0.000 1.143 631 R CA 2.433 58.519 56.100 -0.023 0.000 0.968 631 R CB -0.286 30.018 30.300 0.007 0.000 0.863 631 R HN 0.741 nan 8.270 nan 0.000 0.444 632 I N -2.792 117.753 120.570 -0.041 0.000 2.867 632 I HA 0.079 4.249 4.170 0.001 0.000 0.265 632 I C 1.417 177.514 176.117 -0.033 0.000 1.162 632 I CA 0.462 61.744 61.300 -0.029 0.000 1.471 632 I CB -0.068 37.933 38.000 0.001 0.000 1.123 632 I HN -0.079 nan 8.210 nan 0.000 0.440 633 E N 1.961 122.124 120.200 -0.061 0.000 2.122 633 E HA -0.027 4.324 4.350 0.001 0.000 0.190 633 E C 0.189 176.775 176.600 -0.022 0.000 0.977 633 E CA 0.328 56.708 56.400 -0.035 0.000 0.820 633 E CB -0.054 29.612 29.700 -0.057 0.000 0.770 633 E HN 0.457 nan 8.360 nan 0.000 0.462 634 K N 1.245 121.625 120.400 -0.033 0.000 3.653 634 K HA -0.129 4.191 4.320 0.001 0.000 0.275 634 K C -2.433 174.160 176.600 -0.013 0.000 0.962 634 K CA 0.138 56.413 56.287 -0.021 0.000 0.773 634 K CB -1.174 31.319 32.500 -0.012 0.000 1.463 634 K HN 0.212 nan 8.250 nan 0.000 0.450 635 P HA -0.048 nan 4.420 nan 0.000 0.270 635 P C 0.540 177.835 177.300 -0.007 0.000 1.223 635 P CA -0.157 62.935 63.100 -0.013 0.000 0.785 635 P CB 0.896 32.577 31.700 -0.032 0.000 0.923 636 K N 0.568 120.972 120.400 0.006 0.000 2.031 636 K HA 0.013 4.333 4.320 0.001 0.000 0.205 636 K C 0.897 177.485 176.600 -0.020 0.000 1.049 636 K CA 1.457 57.751 56.287 0.011 0.000 0.939 636 K CB -0.389 32.141 32.500 0.051 0.000 0.717 636 K HN 0.751 nan 8.250 nan 0.000 0.438 637 G N -0.455 108.315 108.800 -0.050 0.000 2.704 637 G HA2 0.477 4.438 3.960 0.001 0.000 0.293 637 G HA3 0.477 4.438 3.960 0.001 0.000 0.293 637 G C -1.808 173.039 174.900 -0.088 0.000 1.421 637 G CA -0.625 44.431 45.100 -0.073 0.000 0.870 637 G HN -0.041 nan 8.290 nan 0.000 0.492 638 V N 1.442 121.306 119.914 -0.083 0.000 2.588 638 V HA 0.479 4.599 4.120 0.001 0.000 0.304 638 V C -0.165 175.871 176.094 -0.097 0.000 1.042 638 V CA -0.687 61.562 62.300 -0.084 0.000 0.877 638 V CB 1.749 33.534 31.823 -0.062 0.000 0.996 638 V HN 0.661 nan 8.190 nan 0.000 0.425 639 I N 4.873 125.373 120.570 -0.118 0.000 2.315 639 I HA 0.259 4.429 4.170 0.001 0.000 0.291 639 I C 0.849 176.915 176.117 -0.084 0.000 1.006 639 I CA -0.241 60.972 61.300 -0.145 0.000 1.265 639 I CB 1.753 39.602 38.000 -0.253 0.000 1.387 639 I HN 0.619 nan 8.210 nan 0.000 0.475 640 V N 1.995 121.877 119.914 -0.053 0.000 3.605 640 V HA 0.120 4.240 4.120 0.001 0.000 0.284 640 V C 1.223 177.335 176.094 0.029 0.000 1.386 640 V CA 0.163 62.456 62.300 -0.011 0.000 1.053 640 V CB 0.006 31.824 31.823 -0.009 0.000 0.857 640 V HN 0.729 nan 8.190 nan 0.000 0.436 641 Q N -0.499 119.336 119.800 0.057 0.000 2.424 641 Q HA 0.221 4.561 4.340 0.001 0.000 0.204 641 Q C 0.983 177.221 176.000 0.396 0.000 0.933 641 Q CA 0.883 56.787 55.803 0.169 0.000 0.929 641 Q CB -0.063 28.769 28.738 0.156 0.000 1.037 641 Q HN 0.749 nan 8.270 nan 0.000 0.511 642 Y N -1.289 119.045 120.300 0.058 0.000 2.636 642 Y HA 0.458 5.008 4.550 0.001 0.000 0.260 642 Y C 1.233 177.215 175.900 0.136 0.000 1.177 642 Y CA -0.694 57.481 58.100 0.126 0.000 1.209 642 Y CB 0.777 39.295 38.460 0.097 0.000 1.166 642 Y HN 0.030 nan 8.280 nan 0.000 0.531 643 G N -1.263 107.630 108.800 0.155 0.000 3.839 643 G HA2 0.466 4.426 3.960 0.001 0.000 0.286 643 G HA3 0.466 4.426 3.960 0.001 0.000 0.286 643 G C 0.767 175.523 174.900 -0.240 0.000 1.005 643 G CA 0.185 45.301 45.100 0.027 0.000 0.824 643 G HN 0.533 nan 8.290 nan 0.000 0.489 644 G N 0.429 108.914 108.800 -0.525 0.000 2.584 644 G HA2 -0.261 3.699 3.960 0.001 0.000 0.229 644 G HA3 -0.261 3.699 3.960 0.001 0.000 0.229 644 G C 0.691 175.373 174.900 -0.363 0.000 1.320 644 G CA 0.348 44.946 45.100 -0.837 0.000 0.891 644 G HN 0.258 nan 8.290 nan 0.000 0.573 645 Q N 0.082 119.701 119.800 -0.300 0.000 2.167 645 Q HA 0.017 4.358 4.340 0.001 0.000 0.202 645 Q C 2.988 178.944 176.000 -0.073 0.000 0.970 645 Q CA 2.849 58.570 55.803 -0.138 0.000 0.855 645 Q CB -1.014 27.663 28.738 -0.100 0.000 0.911 645 Q HN 0.902 nan 8.270 nan 0.000 0.438 646 T N -0.352 114.144 114.554 -0.097 0.000 2.607 646 T HA -0.133 4.217 4.350 0.001 0.000 0.267 646 T C -1.014 173.665 174.700 -0.034 0.000 1.049 646 T CA 1.498 63.564 62.100 -0.058 0.000 1.162 646 T CB -1.746 67.086 68.868 -0.060 0.000 0.863 646 T HN 0.253 nan 8.240 nan 0.000 0.424 647 P HA 0.118 nan 4.420 nan 0.000 0.221 647 P C 1.651 178.953 177.300 0.002 0.000 1.150 647 P CA 0.312 63.401 63.100 -0.018 0.000 0.800 647 P CB -0.219 31.472 31.700 -0.015 0.000 0.787 648 L N 0.504 121.730 121.223 0.004 0.000 1.994 648 L HA -0.142 4.198 4.340 0.001 0.000 0.208 648 L C 2.341 179.287 176.870 0.127 0.000 1.071 648 L CA 2.040 56.908 54.840 0.046 0.000 0.745 648 L CB -1.175 40.893 42.059 0.015 0.000 0.892 648 L HN -0.153 nan 8.230 nan 0.000 0.431 649 K N -0.864 119.610 120.400 0.123 0.000 2.152 649 K HA -0.154 4.166 4.320 0.001 0.000 0.206 649 K C 1.924 178.532 176.600 0.012 0.000 1.048 649 K CA 1.263 57.606 56.287 0.093 0.000 0.933 649 K CB -0.257 32.259 32.500 0.026 0.000 0.721 649 K HN 0.335 nan 8.250 nan 0.000 0.447 650 L N -0.080 121.149 121.223 0.010 0.000 2.418 650 L HA 0.021 4.361 4.340 0.001 0.000 0.218 650 L C 2.417 179.288 176.870 0.003 0.000 1.125 650 L CA 0.155 54.990 54.840 -0.007 0.000 0.835 650 L CB -0.438 41.614 42.059 -0.012 0.000 0.953 650 L HN 0.114 nan 8.230 nan 0.000 0.454 651 A N 0.799 123.634 122.820 0.024 0.000 1.927 651 A HA -0.292 4.028 4.320 0.001 0.000 0.220 651 A C 2.416 180.011 177.584 0.019 0.000 1.185 651 A CA 2.018 54.069 52.037 0.023 0.000 0.639 651 A CB -0.488 18.534 19.000 0.037 0.000 0.820 651 A HN 0.336 nan 8.150 nan 0.000 0.451 652 R N -0.994 119.521 120.500 0.024 0.000 2.066 652 R HA -0.024 4.316 4.340 0.001 0.000 0.232 652 R C 2.452 178.751 176.300 -0.002 0.000 1.131 652 R CA 1.323 57.432 56.100 0.014 0.000 0.955 652 R CB -0.390 29.919 30.300 0.014 0.000 0.851 652 R HN 0.516 nan 8.270 nan 0.000 0.432 653 A N 0.419 123.232 122.820 -0.012 0.000 2.014 653 A HA -0.055 4.265 4.320 0.001 0.000 0.218 653 A C 2.020 179.598 177.584 -0.010 0.000 1.163 653 A CA 0.851 52.879 52.037 -0.015 0.000 0.652 653 A CB -0.333 18.654 19.000 -0.022 0.000 0.808 653 A HN 0.177 nan 8.150 nan 0.000 0.449 654 L N -0.784 120.434 121.223 -0.009 0.000 1.961 654 L HA -0.217 4.124 4.340 0.001 0.000 0.210 654 L C 2.638 179.503 176.870 -0.008 0.000 1.072 654 L CA 2.010 56.844 54.840 -0.010 0.000 0.749 654 L CB -0.587 41.465 42.059 -0.013 0.000 0.889 654 L HN 0.606 nan 8.230 nan 0.000 0.432 655 E N 0.410 120.607 120.200 -0.005 0.000 2.049 655 E HA -0.301 4.050 4.350 0.001 0.000 0.198 655 E C 2.065 178.663 176.600 -0.003 0.000 1.007 655 E CA 1.657 58.055 56.400 -0.004 0.000 0.809 655 E CB -0.137 29.564 29.700 0.002 0.000 0.749 655 E HN 0.440 nan 8.360 nan 0.000 0.450 656 A N 0.343 123.161 122.820 -0.002 0.000 2.125 656 A HA 0.041 4.361 4.320 0.001 0.000 0.219 656 A C 2.150 179.732 177.584 -0.004 0.000 1.156 656 A CA 1.442 53.477 52.037 -0.003 0.000 0.671 656 A CB -0.447 18.550 19.000 -0.005 0.000 0.794 656 A HN 0.410 nan 8.150 nan 0.000 0.459 657 A N -2.309 120.509 122.820 -0.004 0.000 2.275 657 A HA 0.463 4.783 4.320 0.001 0.000 0.212 657 A C 1.597 179.180 177.584 -0.002 0.000 1.201 657 A CA 1.141 53.177 52.037 -0.003 0.000 0.843 657 A CB -0.440 18.559 19.000 -0.002 0.000 0.873 657 A HN 1.646 nan 8.150 nan 0.000 0.492 658 G N -1.701 107.096 108.800 -0.004 0.000 2.316 658 G HA2 -0.173 3.787 3.960 0.001 0.000 0.203 658 G HA3 -0.173 3.787 3.960 0.001 0.000 0.203 658 G C 0.192 175.087 174.900 -0.008 0.000 0.999 658 G CA -0.133 44.964 45.100 -0.004 0.000 0.649 658 G HN 0.673 nan 8.290 nan 0.000 0.489 659 V N 3.496 123.403 119.914 -0.011 0.000 2.540 659 V HA 0.299 4.419 4.120 0.001 0.000 0.297 659 V C -1.197 174.887 176.094 -0.017 0.000 1.024 659 V CA -0.095 62.194 62.300 -0.017 0.000 1.105 659 V CB 0.880 32.690 31.823 -0.022 0.000 0.938 659 V HN 0.286 nan 8.190 nan 0.000 0.482 660 P HA 0.119 nan 4.420 nan 0.000 0.241 660 P C -0.225 177.057 177.300 -0.030 0.000 1.760 660 P CA -0.015 63.073 63.100 -0.021 0.000 1.081 660 P CB -0.003 31.684 31.700 -0.022 0.000 1.975 661 V N 4.654 124.553 119.914 -0.026 0.000 2.479 661 V HA 0.020 4.140 4.120 0.001 0.000 0.281 661 V C 1.215 177.287 176.094 -0.036 0.000 1.031 661 V CA -0.013 62.268 62.300 -0.032 0.000 1.038 661 V CB -0.113 31.699 31.823 -0.020 0.000 0.981 661 V HN 0.317 nan 8.190 nan 0.000 0.478 662 I N 3.027 123.563 120.570 -0.057 0.000 2.924 662 I HA 1.030 5.200 4.170 0.001 0.000 0.316 662 I C 0.714 176.795 176.117 -0.060 0.000 1.014 662 I CA 0.243 61.506 61.300 -0.061 0.000 1.106 662 I CB 1.355 39.304 38.000 -0.086 0.000 1.311 662 I HN 0.871 nan 8.210 nan 0.000 0.502 663 G N 2.313 111.085 108.800 -0.047 0.000 2.584 663 G HA2 -0.183 3.777 3.960 0.001 0.000 0.229 663 G HA3 -0.183 3.777 3.960 0.001 0.000 0.229 663 G C -0.107 174.789 174.900 -0.006 0.000 1.320 663 G CA -0.309 44.773 45.100 -0.030 0.000 0.891 663 G HN 0.960 nan 8.290 nan 0.000 0.573 664 T N 1.330 115.888 114.554 0.008 0.000 2.822 664 T HA 0.397 4.748 4.350 0.001 0.000 0.288 664 T C 1.315 176.023 174.700 0.013 0.000 0.991 664 T CA 1.041 63.151 62.100 0.016 0.000 1.176 664 T CB 0.453 69.334 68.868 0.022 0.000 0.951 664 T HN 1.746 nan 8.240 nan 0.000 0.526 665 S N 4.881 120.591 115.700 0.017 0.000 2.580 665 S HA 0.116 4.587 4.470 0.001 0.000 0.266 665 S C -1.370 173.244 174.600 0.022 0.000 1.354 665 S CA -1.158 57.052 58.200 0.017 0.000 1.008 665 S CB 0.571 63.784 63.200 0.021 0.000 0.898 665 S HN 0.330 nan 8.310 nan 0.000 0.555 666 P HA -0.065 nan 4.420 nan 0.000 0.214 666 P C 1.068 178.397 177.300 0.048 0.000 1.163 666 P CA 1.510 64.633 63.100 0.039 0.000 0.883 666 P CB -0.202 31.520 31.700 0.035 0.000 0.788 667 D N -0.600 119.824 120.400 0.040 0.000 2.133 667 D HA -0.178 4.462 4.640 0.001 0.000 0.195 667 D C 1.844 178.169 176.300 0.043 0.000 0.997 667 D CA 1.628 55.654 54.000 0.043 0.000 0.840 667 D CB -0.610 40.211 40.800 0.034 0.000 0.947 667 D HN -0.002 nan 8.370 nan 0.000 0.452 668 A N -0.281 122.561 122.820 0.037 0.000 1.968 668 A HA -0.029 4.291 4.320 0.001 0.000 0.217 668 A C 2.377 179.976 177.584 0.025 0.000 1.169 668 A CA 0.735 52.795 52.037 0.038 0.000 0.638 668 A CB -0.614 18.408 19.000 0.037 0.000 0.812 668 A HN 0.365 nan 8.150 nan 0.000 0.446 669 I N -0.436 120.142 120.570 0.012 0.000 2.252 669 I HA -0.233 3.938 4.170 0.001 0.000 0.245 669 I C 2.168 178.249 176.117 -0.060 0.000 1.102 669 I CA 1.823 63.108 61.300 -0.026 0.000 1.385 669 I CB -0.199 37.793 38.000 -0.013 0.000 1.064 669 I HN 0.324 nan 8.210 nan 0.000 0.414 670 D N 0.473 120.878 120.400 0.008 0.000 2.178 670 D HA -0.157 4.483 4.640 0.001 0.000 0.202 670 D C 2.340 178.656 176.300 0.026 0.000 0.974 670 D CA 0.978 55.003 54.000 0.041 0.000 0.841 670 D CB 0.092 40.967 40.800 0.125 0.000 0.953 670 D HN 0.034 nan 8.370 nan 0.000 0.478 671 R N -0.243 120.282 120.500 0.042 0.000 2.096 671 R HA -0.071 4.269 4.340 0.001 0.000 0.235 671 R C 1.987 178.354 176.300 0.112 0.000 1.127 671 R CA 1.223 57.370 56.100 0.078 0.000 0.968 671 R CB -0.212 30.139 30.300 0.086 0.000 0.861 671 R HN 0.221 nan 8.270 nan 0.000 0.440 672 A N 0.715 123.555 122.820 0.034 0.000 1.887 672 A HA -0.048 4.273 4.320 0.001 0.000 0.212 672 A C 1.852 179.318 177.584 -0.197 0.000 1.198 672 A CA 0.580 52.586 52.037 -0.051 0.000 0.628 672 A CB -0.105 18.825 19.000 -0.118 0.000 0.847 672 A HN 0.089 nan 8.150 nan 0.000 0.449 673 E N 0.902 120.934 120.200 -0.279 0.000 2.204 673 E HA -0.122 4.229 4.350 0.001 0.000 0.195 673 E C 0.035 176.458 176.600 -0.296 0.000 0.990 673 E CA 0.576 56.693 56.400 -0.471 0.000 0.821 673 E CB -0.241 28.835 29.700 -1.039 0.000 0.750 673 E HN 0.579 nan 8.360 nan 0.000 0.477 674 D N 0.592 120.931 120.400 -0.102 0.000 2.313 674 D HA 0.037 4.677 4.640 0.001 0.000 0.239 674 D C 0.947 177.294 176.300 0.078 0.000 1.142 674 D CA -0.205 53.824 54.000 0.047 0.000 0.847 674 D CB 0.686 41.546 40.800 0.101 0.000 1.082 674 D HN -0.042 nan 8.370 nan 0.000 0.480 675 R N 3.146 123.696 120.500 0.083 0.000 2.120 675 R HA -0.154 4.186 4.340 0.001 0.000 0.234 675 R C 1.738 178.138 176.300 0.167 0.000 1.123 675 R CA 0.825 57.003 56.100 0.129 0.000 0.975 675 R CB -0.076 30.282 30.300 0.097 0.000 0.866 675 R HN 0.567 nan 8.270 nan 0.000 0.446 676 E N 1.173 121.447 120.200 0.123 0.000 2.152 676 E HA -0.116 4.235 4.350 0.001 0.000 0.192 676 E C 2.078 178.745 176.600 0.110 0.000 0.983 676 E CA 0.662 57.131 56.400 0.115 0.000 0.818 676 E CB 0.201 29.932 29.700 0.051 0.000 0.758 676 E HN 0.206 nan 8.360 nan 0.000 0.467 677 R N -0.337 120.214 120.500 0.085 0.000 2.062 677 R HA -0.079 4.262 4.340 0.001 0.000 0.226 677 R C 2.303 178.712 176.300 0.180 0.000 1.125 677 R CA 1.048 57.197 56.100 0.081 0.000 0.966 677 R CB -0.621 29.720 30.300 0.067 0.000 0.861 677 R HN 0.249 nan 8.270 nan 0.000 0.433 678 F N 2.599 122.580 119.950 0.052 0.000 2.069 678 F HA -0.279 4.248 4.527 0.001 0.000 0.298 678 F C 2.721 178.559 175.800 0.064 0.000 1.113 678 F CA 1.939 59.962 58.000 0.039 0.000 1.214 678 F CB -0.491 38.510 39.000 0.002 0.000 0.978 678 F HN 0.035 nan 8.300 nan 0.000 0.474 679 Q N -0.905 118.935 119.800 0.066 0.000 2.077 679 Q HA -0.318 4.022 4.340 0.001 0.000 0.206 679 Q C 2.172 178.129 176.000 -0.071 0.000 0.989 679 Q CA 2.234 58.026 55.803 -0.019 0.000 0.853 679 Q CB -0.485 28.319 28.738 0.111 0.000 0.907 679 Q HN 0.581 nan 8.270 nan 0.000 0.418 680 H N -0.274 118.755 119.070 -0.068 0.000 2.289 680 H HA -0.130 4.426 4.556 0.001 0.000 0.296 680 H C 1.944 177.213 175.328 -0.099 0.000 1.091 680 H CA 2.173 58.187 56.048 -0.058 0.000 1.274 680 H CB -0.327 29.426 29.762 -0.016 0.000 1.364 680 H HN 0.466 nan 8.280 nan 0.000 0.490 681 A N -0.069 122.742 122.820 -0.014 0.000 1.883 681 A HA -0.182 4.139 4.320 0.001 0.000 0.217 681 A C 2.663 180.133 177.584 -0.190 0.000 1.186 681 A CA 1.987 53.970 52.037 -0.090 0.000 0.624 681 A CB -1.002 17.942 19.000 -0.094 0.000 0.822 681 A HN 0.270 nan 8.150 nan 0.000 0.444 682 V N 0.329 120.031 119.914 -0.353 0.000 2.324 682 V HA -0.292 3.828 4.120 0.001 0.000 0.250 682 V C 2.614 178.596 176.094 -0.188 0.000 1.060 682 V CA 2.494 64.597 62.300 -0.328 0.000 1.042 682 V CB -0.929 30.631 31.823 -0.438 0.000 0.650 682 V HN 0.684 nan 8.190 nan 0.000 0.450 683 E N 1.056 121.149 120.200 -0.178 0.000 2.023 683 E HA -0.259 4.091 4.350 0.001 0.000 0.196 683 E C 2.351 178.884 176.600 -0.112 0.000 1.003 683 E CA 1.975 58.286 56.400 -0.148 0.000 0.809 683 E CB -0.516 29.066 29.700 -0.197 0.000 0.755 683 E HN 0.475 nan 8.360 nan 0.000 0.449 684 R N -0.182 120.256 120.500 -0.103 0.000 2.134 684 R HA -0.165 4.176 4.340 0.001 0.000 0.248 684 R C 2.577 178.847 176.300 -0.049 0.000 1.143 684 R CA 1.910 57.973 56.100 -0.062 0.000 0.957 684 R CB -0.568 29.710 30.300 -0.037 0.000 0.867 684 R HN 0.320 nan 8.270 nan 0.000 0.441 685 L N 0.160 121.349 121.223 -0.056 0.000 2.376 685 L HA -0.042 4.299 4.340 0.001 0.000 0.219 685 L C 0.285 177.131 176.870 -0.040 0.000 1.133 685 L CA 0.868 55.686 54.840 -0.037 0.000 0.816 685 L CB 0.076 42.112 42.059 -0.038 0.000 0.933 685 L HN 0.259 nan 8.230 nan 0.000 0.449 686 K N 0.023 120.388 120.400 -0.059 0.000 3.203 686 K HA -0.138 4.183 4.320 0.001 0.000 0.270 686 K C -0.654 175.910 176.600 -0.060 0.000 1.132 686 K CA 0.275 56.526 56.287 -0.059 0.000 0.794 686 K CB -1.611 30.861 32.500 -0.046 0.000 1.270 686 K HN 0.198 nan 8.250 nan 0.000 0.491 687 L N -0.411 120.770 121.223 -0.070 0.000 2.578 687 L HA 0.454 4.795 4.340 0.001 0.000 0.259 687 L C 0.507 177.333 176.870 -0.072 0.000 1.082 687 L CA -1.169 53.636 54.840 -0.058 0.000 0.843 687 L CB 0.747 42.789 42.059 -0.028 0.000 1.535 687 L HN 0.020 nan 8.230 nan 0.000 0.510 688 K N 1.036 121.390 120.400 -0.076 0.000 2.253 688 K HA 0.281 4.602 4.320 0.001 0.000 0.277 688 K C -0.926 175.661 176.600 -0.021 0.000 1.053 688 K CA -0.197 56.019 56.287 -0.118 0.000 0.892 688 K CB 0.862 33.183 32.500 -0.298 0.000 1.102 688 K HN 0.392 nan 8.250 nan 0.000 0.469 689 Q N 3.976 123.793 119.800 0.028 0.000 2.433 689 Q HA 0.488 4.828 4.340 0.001 0.000 0.279 689 Q C -2.377 173.736 176.000 0.189 0.000 1.105 689 Q CA -2.461 53.410 55.803 0.113 0.000 0.815 689 Q CB 1.880 30.643 28.738 0.042 0.000 1.403 689 Q HN 0.457 nan 8.270 nan 0.000 0.435 690 P HA 0.118 nan 4.420 nan 0.000 0.274 690 P C -1.446 175.945 177.300 0.151 0.000 1.237 690 P CA -0.236 62.995 63.100 0.218 0.000 0.793 690 P CB 0.439 32.232 31.700 0.155 0.000 0.977 691 A N 2.330 125.235 122.820 0.142 0.000 2.500 691 A HA 0.235 4.556 4.320 0.001 0.000 0.285 691 A C 0.435 178.063 177.584 0.073 0.000 1.183 691 A CA 0.158 52.230 52.037 0.059 0.000 0.851 691 A CB -1.611 17.362 19.000 -0.045 0.000 1.091 691 A HN 0.696 nan 8.150 nan 0.000 0.521 692 N N 0.681 119.415 118.700 0.057 0.000 3.167 692 N HA 0.872 5.612 4.740 0.001 0.000 0.323 692 N C -0.794 174.740 175.510 0.040 0.000 1.478 692 N CA -0.201 52.885 53.050 0.060 0.000 0.753 692 N CB 1.393 39.931 38.487 0.085 0.000 1.721 692 N HN 0.924 nan 8.380 nan 0.000 0.618 693 A N -1.434 121.417 122.820 0.052 0.000 2.582 693 A HA 0.622 4.942 4.320 0.001 0.000 0.297 693 A C -1.542 176.088 177.584 0.077 0.000 1.059 693 A CA -0.663 51.404 52.037 0.050 0.000 0.705 693 A CB 1.119 20.131 19.000 0.020 0.000 1.279 693 A HN 0.555 nan 8.150 nan 0.000 0.404 694 T N 1.936 116.542 114.554 0.087 0.000 2.801 694 T HA 0.560 4.911 4.350 0.001 0.000 0.306 694 T C -0.505 174.261 174.700 0.110 0.000 1.020 694 T CA -0.071 62.094 62.100 0.109 0.000 0.948 694 T CB 0.315 69.250 68.868 0.112 0.000 0.962 694 T HN 0.642 nan 8.240 nan 0.000 0.465 695 V N 3.149 123.157 119.914 0.157 0.000 2.919 695 V HA 0.530 4.651 4.120 0.001 0.000 0.316 695 V C 0.998 177.270 176.094 0.297 0.000 1.077 695 V CA -0.591 61.816 62.300 0.179 0.000 0.977 695 V CB 2.110 33.993 31.823 0.099 0.000 1.039 695 V HN 0.805 nan 8.190 nan 0.000 0.441 696 T N 0.906 115.606 114.554 0.243 0.000 2.954 696 T HA 0.491 4.841 4.350 0.001 0.000 0.252 696 T C 0.139 175.026 174.700 0.313 0.000 0.983 696 T CA 0.756 63.002 62.100 0.243 0.000 0.941 696 T CB 0.440 69.382 68.868 0.124 0.000 1.141 696 T HN 0.889 nan 8.240 nan 0.000 0.500 697 A N 0.388 123.346 122.820 0.231 0.000 2.449 697 A HA 0.632 4.952 4.320 0.001 0.000 0.302 697 A C 0.765 178.329 177.584 -0.034 0.000 1.048 697 A CA -0.677 51.461 52.037 0.168 0.000 0.708 697 A CB 0.734 19.787 19.000 0.089 0.000 1.274 697 A HN 0.153 nan 8.150 nan 0.000 0.410 698 I N 1.314 121.846 120.570 -0.062 0.000 2.109 698 I HA -0.286 3.884 4.170 0.001 0.000 0.233 698 I C 1.995 177.988 176.117 -0.206 0.000 1.005 698 I CA 2.115 63.263 61.300 -0.254 0.000 1.294 698 I CB -1.212 36.745 38.000 -0.071 0.000 1.005 698 I HN 0.719 nan 8.210 nan 0.000 0.392 699 E N -0.025 120.121 120.200 -0.090 0.000 2.164 699 E HA -0.265 4.086 4.350 0.001 0.000 0.206 699 E C 2.092 178.649 176.600 -0.072 0.000 1.032 699 E CA 1.687 58.050 56.400 -0.061 0.000 0.832 699 E CB -0.420 29.264 29.700 -0.027 0.000 0.742 699 E HN 0.417 nan 8.360 nan 0.000 0.460 700 M N -0.857 118.694 119.600 -0.081 0.000 2.098 700 M HA -0.002 4.479 4.480 0.001 0.000 0.262 700 M C 2.165 178.395 176.300 -0.116 0.000 1.072 700 M CA 1.628 56.885 55.300 -0.072 0.000 1.133 700 M CB -0.904 31.672 32.600 -0.039 0.000 1.344 700 M HN 0.164 nan 8.290 nan 0.000 0.414 701 A N -0.367 122.320 122.820 -0.222 0.000 1.940 701 A HA -0.111 4.209 4.320 0.001 0.000 0.219 701 A C 2.253 179.718 177.584 -0.198 0.000 1.176 701 A CA 1.822 53.684 52.037 -0.291 0.000 0.631 701 A CB -1.068 17.509 19.000 -0.705 0.000 0.814 701 A HN 0.339 nan 8.150 nan 0.000 0.446 702 V N 0.413 120.228 119.914 -0.166 0.000 2.231 702 V HA -0.363 3.757 4.120 0.001 0.000 0.248 702 V C 2.628 178.692 176.094 -0.049 0.000 1.054 702 V CA 2.716 64.971 62.300 -0.074 0.000 1.015 702 V CB -0.991 30.801 31.823 -0.052 0.000 0.638 702 V HN 0.882 nan 8.190 nan 0.000 0.444 703 E N 0.712 120.880 120.200 -0.054 0.000 2.038 703 E HA -0.299 4.051 4.350 0.001 0.000 0.195 703 E C 2.103 178.672 176.600 -0.052 0.000 1.000 703 E CA 1.984 58.361 56.400 -0.040 0.000 0.803 703 E CB -0.369 29.310 29.700 -0.035 0.000 0.750 703 E HN 0.392 nan 8.360 nan 0.000 0.448 704 K N 0.215 120.576 120.400 -0.065 0.000 2.103 704 K HA -0.055 4.265 4.320 0.001 0.000 0.207 704 K C 1.896 178.440 176.600 -0.094 0.000 1.048 704 K CA 1.406 57.654 56.287 -0.065 0.000 0.930 704 K CB -0.628 31.838 32.500 -0.057 0.000 0.716 704 K HN 0.331 nan 8.250 nan 0.000 0.444 705 A N 0.666 123.411 122.820 -0.126 0.000 1.877 705 A HA -0.206 4.114 4.320 0.001 0.000 0.216 705 A C 1.882 179.307 177.584 -0.266 0.000 1.186 705 A CA 1.910 53.809 52.037 -0.230 0.000 0.620 705 A CB -0.450 18.400 19.000 -0.249 0.000 0.822 705 A HN 0.292 nan 8.150 nan 0.000 0.443 706 K N -0.099 120.224 120.400 -0.129 0.000 2.173 706 K HA -0.213 4.108 4.320 0.001 0.000 0.207 706 K C 1.882 178.434 176.600 -0.080 0.000 1.046 706 K CA 1.812 58.061 56.287 -0.063 0.000 0.929 706 K CB -0.147 32.351 32.500 -0.004 0.000 0.720 706 K HN 0.689 nan 8.250 nan 0.000 0.453 707 E N 0.589 120.736 120.200 -0.088 0.000 1.987 707 E HA -0.139 4.211 4.350 0.001 0.000 0.200 707 E C 1.823 178.361 176.600 -0.105 0.000 0.990 707 E CA 1.320 57.673 56.400 -0.077 0.000 0.859 707 E CB -0.117 29.545 29.700 -0.063 0.000 0.805 707 E HN 0.096 nan 8.360 nan 0.000 0.499 708 I N 0.181 120.683 120.570 -0.113 0.000 2.181 708 I HA -0.351 3.819 4.170 0.001 0.000 0.240 708 I C 1.038 177.050 176.117 -0.175 0.000 1.006 708 I CA 1.652 62.881 61.300 -0.118 0.000 1.284 708 I CB -0.787 37.160 38.000 -0.087 0.000 0.990 708 I HN 0.521 nan 8.210 nan 0.000 0.408 709 G N -0.850 107.838 108.800 -0.187 0.000 3.367 709 G HA2 -0.131 3.829 3.960 0.001 0.000 0.686 709 G HA3 -0.131 3.829 3.960 0.001 0.000 0.686 709 G C -0.675 174.242 174.900 0.027 0.000 1.146 709 G CA -0.941 44.082 45.100 -0.129 0.000 0.913 709 G HN 0.120 nan 8.290 nan 0.000 0.554 710 Y N 2.040 122.420 120.300 0.133 0.000 2.480 710 Y HA 0.430 4.980 4.550 0.001 0.000 0.338 710 Y C -0.830 175.188 175.900 0.197 0.000 1.220 710 Y CA -0.627 57.554 58.100 0.134 0.000 1.430 710 Y CB 0.306 38.826 38.460 0.100 0.000 1.311 710 Y HN 0.529 nan 8.280 nan 0.000 0.575 711 P HA 0.394 nan 4.420 nan 0.000 0.279 711 P C -1.323 176.032 177.300 0.092 0.000 1.252 711 P CA -0.656 62.522 63.100 0.129 0.000 0.811 711 P CB 1.306 32.799 31.700 -0.345 0.000 1.035 712 L N 0.877 122.131 121.223 0.052 0.000 2.370 712 L HA 0.541 4.881 4.340 0.001 0.000 0.266 712 L C -1.159 175.702 176.870 -0.014 0.000 1.002 712 L CA -1.084 53.778 54.840 0.037 0.000 0.818 712 L CB 2.117 44.181 42.059 0.008 0.000 1.325 712 L HN 0.012 nan 8.230 nan 0.000 0.418 713 V N 4.850 124.781 119.914 0.028 0.000 2.318 713 V HA 0.247 4.367 4.120 0.001 0.000 0.271 713 V C -0.005 176.124 176.094 0.058 0.000 1.030 713 V CA -0.649 61.666 62.300 0.025 0.000 0.844 713 V CB 1.131 32.992 31.823 0.064 0.000 1.015 713 V HN 0.484 nan 8.190 nan 0.000 0.460 714 V N 7.018 126.970 119.914 0.064 0.000 2.338 714 V HA 0.299 4.419 4.120 0.001 0.000 0.255 714 V C 0.573 176.707 176.094 0.065 0.000 1.082 714 V CA -0.335 62.033 62.300 0.114 0.000 0.951 714 V CB -0.303 31.625 31.823 0.175 0.000 1.102 714 V HN 0.841 nan 8.190 nan 0.000 0.489 715 R N 5.626 126.165 120.500 0.065 0.000 2.275 715 R HA 0.450 4.790 4.340 0.001 0.000 0.326 715 R C -2.774 173.538 176.300 0.020 0.000 0.973 715 R CA -1.912 54.208 56.100 0.034 0.000 0.854 715 R CB 1.161 31.480 30.300 0.032 0.000 1.156 715 R HN 0.334 nan 8.270 nan 0.000 0.487 716 P HA -0.049 nan 4.420 nan 0.000 0.271 716 P C -0.247 177.055 177.300 0.003 0.000 1.238 716 P CA -0.093 62.992 63.100 -0.024 0.000 0.794 716 P CB 0.638 32.314 31.700 -0.040 0.000 0.959 717 S N -0.565 115.151 115.700 0.028 0.000 2.509 717 S HA 0.409 4.880 4.470 0.001 0.000 0.297 717 S C -0.829 173.863 174.600 0.154 0.000 1.118 717 S CA -0.112 58.131 58.200 0.071 0.000 1.074 717 S CB -0.400 62.873 63.200 0.121 0.000 1.038 717 S HN 0.433 nan 8.310 nan 0.000 0.498 718 Y N 0.059 120.333 120.300 -0.043 0.000 3.790 718 Y HA -0.217 4.333 4.550 0.001 0.000 0.226 718 Y C 0.001 175.868 175.900 -0.055 0.000 1.257 718 Y CA 0.688 58.759 58.100 -0.049 0.000 1.765 718 Y CB -1.993 36.440 38.460 -0.045 0.000 1.552 718 Y HN 0.451 nan 8.280 nan 0.000 0.650 719 V N -1.643 118.283 119.914 0.021 0.000 3.141 719 V HA 0.976 5.097 4.120 0.001 0.000 0.312 719 V C -0.470 175.608 176.094 -0.026 0.000 1.157 719 V CA -1.061 61.239 62.300 0.000 0.000 1.041 719 V CB 2.537 34.358 31.823 -0.003 0.000 1.071 719 V HN 0.410 nan 8.190 nan 0.000 0.441 720 L N -0.755 120.456 121.223 -0.020 0.000 2.424 720 L HA 1.078 5.418 4.340 0.001 0.000 0.258 720 L C 0.523 177.392 176.870 -0.001 0.000 0.995 720 L CA -0.011 54.833 54.840 0.007 0.000 0.821 720 L CB 1.173 43.229 42.059 -0.005 0.000 1.383 720 L HN 1.859 nan 8.230 nan 0.000 0.410 721 G N -0.334 108.486 108.800 0.034 0.000 2.136 721 G HA2 0.205 4.165 3.960 0.001 0.000 0.242 721 G HA3 0.205 4.165 3.960 0.001 0.000 0.242 721 G C 0.976 175.728 174.900 -0.248 0.000 0.989 721 G CA 0.321 45.276 45.100 -0.241 0.000 0.682 721 G HN 2.463 nan 8.290 nan 0.000 0.522 722 G N -0.903 107.953 108.800 0.094 0.000 2.295 722 G HA2 -0.106 3.854 3.960 0.001 0.000 0.287 722 G HA3 -0.106 3.854 3.960 0.001 0.000 0.287 722 G C 0.321 175.214 174.900 -0.012 0.000 1.055 722 G CA 1.008 46.173 45.100 0.108 0.000 0.922 722 G HN 1.367 nan 8.290 nan 0.000 0.503 723 R N 0.021 120.501 120.500 -0.034 0.000 2.446 723 R HA 0.485 4.825 4.340 0.001 0.000 0.314 723 R C 1.379 177.653 176.300 -0.043 0.000 1.003 723 R CA 1.007 57.075 56.100 -0.053 0.000 1.018 723 R CB -0.413 29.856 30.300 -0.051 0.000 0.945 723 R HN 1.834 nan 8.270 nan 0.000 0.419 724 A N 3.488 126.278 122.820 -0.050 0.000 3.201 724 A HA -0.222 4.099 4.320 0.001 0.000 0.260 724 A C 0.141 177.703 177.584 -0.037 0.000 1.222 724 A CA 1.298 53.315 52.037 -0.034 0.000 1.124 724 A CB -2.231 16.749 19.000 -0.033 0.000 1.155 724 A HN 0.634 nan 8.150 nan 0.000 0.924 725 M N -0.430 119.141 119.600 -0.048 0.000 2.217 725 M HA 0.594 5.074 4.480 0.001 0.000 0.354 725 M C 0.127 176.355 176.300 -0.119 0.000 1.225 725 M CA 0.620 55.891 55.300 -0.048 0.000 1.137 725 M CB 0.784 33.382 32.600 -0.003 0.000 1.576 725 M HN 0.445 nan 8.290 nan 0.000 0.461 726 E N 2.100 122.211 120.200 -0.147 0.000 2.390 726 E HA 0.514 4.864 4.350 0.001 0.000 0.280 726 E C -1.774 174.708 176.600 -0.196 0.000 0.992 726 E CA -0.528 55.714 56.400 -0.264 0.000 0.790 726 E CB 1.869 31.225 29.700 -0.574 0.000 1.248 726 E HN 0.657 nan 8.360 nan 0.000 0.447 727 I N 3.601 124.028 120.570 -0.238 0.000 2.325 727 I HA 0.276 4.446 4.170 0.001 0.000 0.291 727 I C -0.079 175.856 176.117 -0.303 0.000 1.019 727 I CA -0.958 60.145 61.300 -0.329 0.000 1.302 727 I CB 0.857 38.528 38.000 -0.549 0.000 1.401 727 I HN 0.316 nan 8.210 nan 0.000 0.485 728 V N 4.068 123.863 119.914 -0.199 0.000 2.481 728 V HA 0.293 4.413 4.120 0.001 0.000 0.286 728 V C -0.328 175.713 176.094 -0.088 0.000 1.042 728 V CA -0.106 62.194 62.300 0.001 0.000 0.928 728 V CB 1.204 33.149 31.823 0.204 0.000 0.986 728 V HN 0.647 nan 8.190 nan 0.000 0.462 729 Y N 1.790 122.081 120.300 -0.014 0.000 2.483 729 Y HA 0.290 4.840 4.550 0.000 0.000 0.258 729 Y C 0.855 176.340 175.900 -0.692 0.000 1.083 729 Y CA 0.281 58.289 58.100 -0.154 0.000 1.283 729 Y CB 0.720 39.114 38.460 -0.110 0.000 1.178 729 Y HN 0.968 nan 8.280 nan 0.000 0.515 730 D N -1.411 118.583 120.400 -0.678 0.000 3.057 730 D HA 0.084 4.724 4.640 0.001 0.000 0.328 730 D C 0.655 176.679 176.300 -0.459 0.000 1.317 730 D CA -0.155 53.280 54.000 -0.942 0.000 0.973 730 D CB 0.325 40.897 40.800 -0.379 0.000 1.424 730 D HN 0.030 nan 8.370 nan 0.000 0.569 731 E N 0.731 120.823 120.200 -0.180 0.000 2.000 731 E HA -0.043 4.307 4.350 0.001 0.000 0.199 731 E C 1.895 178.514 176.600 0.032 0.000 1.011 731 E CA 1.587 57.998 56.400 0.018 0.000 0.836 731 E CB -0.861 28.844 29.700 0.009 0.000 0.778 731 E HN 0.436 nan 8.360 nan 0.000 0.462 732 A N 0.490 123.310 122.820 0.001 0.000 2.239 732 A HA -0.097 4.224 4.320 0.001 0.000 0.209 732 A C 1.534 179.125 177.584 0.012 0.000 1.171 732 A CA 0.977 53.015 52.037 0.002 0.000 0.768 732 A CB -0.389 18.602 19.000 -0.015 0.000 0.790 732 A HN 0.250 nan 8.150 nan 0.000 0.478 733 D N -0.870 119.560 120.400 0.050 0.000 2.347 733 D HA -0.014 4.627 4.640 0.001 0.000 0.213 733 D C 1.522 177.959 176.300 0.230 0.000 0.985 733 D CA 0.523 54.606 54.000 0.139 0.000 0.879 733 D CB 0.371 41.272 40.800 0.168 0.000 0.919 733 D HN 0.448 nan 8.370 nan 0.000 0.526 734 L N 0.673 121.998 121.223 0.170 0.000 2.286 734 L HA 0.114 4.454 4.340 0.001 0.000 0.203 734 L C 2.105 179.068 176.870 0.155 0.000 1.068 734 L CA 0.996 55.956 54.840 0.200 0.000 0.811 734 L CB -0.183 41.982 42.059 0.176 0.000 0.989 734 L HN -0.244 nan 8.230 nan 0.000 0.467 735 R N -0.501 120.045 120.500 0.076 0.000 2.096 735 R HA -0.106 4.234 4.340 0.001 0.000 0.235 735 R C 2.327 178.646 176.300 0.033 0.000 1.127 735 R CA 1.148 57.280 56.100 0.052 0.000 0.968 735 R CB -0.483 29.826 30.300 0.015 0.000 0.861 735 R HN 0.346 nan 8.270 nan 0.000 0.440 736 R N 0.159 120.627 120.500 -0.054 0.000 2.073 736 R HA -0.124 4.216 4.340 0.001 0.000 0.234 736 R C 1.157 177.268 176.300 -0.315 0.000 1.134 736 R CA 1.524 57.475 56.100 -0.248 0.000 0.952 736 R CB -0.002 30.021 30.300 -0.462 0.000 0.850 736 R HN 0.267 nan 8.270 nan 0.000 0.433 737 Y N -1.979 118.382 120.300 0.102 0.000 2.458 737 Y HA 0.053 4.603 4.550 0.001 0.000 0.256 737 Y C 1.261 177.235 175.900 0.123 0.000 1.159 737 Y CA -0.428 57.727 58.100 0.092 0.000 1.261 737 Y CB -0.005 38.503 38.460 0.080 0.000 1.119 737 Y HN 0.001 nan 8.280 nan 0.000 0.524 738 F N 0.825 120.844 119.950 0.115 0.000 2.118 738 F HA -0.138 4.389 4.527 0.000 0.000 0.293 738 F C 2.302 178.135 175.800 0.055 0.000 1.102 738 F CA 1.487 59.537 58.000 0.083 0.000 1.247 738 F CB -0.133 38.906 39.000 0.065 0.000 1.017 738 F HN -0.082 nan 8.300 nan 0.000 0.475 739 Q N -0.008 119.836 119.800 0.073 0.000 2.234 739 Q HA -0.137 4.203 4.340 0.001 0.000 0.206 739 Q C 2.058 178.008 176.000 -0.082 0.000 0.980 739 Q CA 2.195 57.988 55.803 -0.017 0.000 0.869 739 Q CB -0.874 27.885 28.738 0.034 0.000 0.912 739 Q HN 0.407 nan 8.270 nan 0.000 0.436 740 T N -0.789 113.737 114.554 -0.047 0.000 2.896 740 T HA 0.031 4.382 4.350 0.001 0.000 0.263 740 T C 1.719 176.369 174.700 -0.083 0.000 1.050 740 T CA 0.991 63.069 62.100 -0.036 0.000 1.140 740 T CB -0.251 68.636 68.868 0.032 0.000 0.877 740 T HN 0.344 nan 8.240 nan 0.000 0.457 741 A N 1.017 123.749 122.820 -0.146 0.000 2.014 741 A HA 0.085 4.405 4.320 0.001 0.000 0.218 741 A C 2.466 179.895 177.584 -0.257 0.000 1.163 741 A CA 0.837 52.758 52.037 -0.193 0.000 0.652 741 A CB -0.678 18.186 19.000 -0.225 0.000 0.808 741 A HN 0.365 nan 8.150 nan 0.000 0.449 742 V N 0.691 120.392 119.914 -0.355 0.000 2.535 742 V HA -0.156 3.964 4.120 0.001 0.000 0.246 742 V C 2.854 178.860 176.094 -0.147 0.000 1.045 742 V CA 1.927 64.056 62.300 -0.285 0.000 1.058 742 V CB -0.609 31.014 31.823 -0.334 0.000 0.689 742 V HN 0.750 nan 8.190 nan 0.000 0.461 743 S N 1.554 117.182 115.700 -0.121 0.000 2.383 743 S HA -0.175 4.295 4.470 0.001 0.000 0.229 743 S C 1.993 176.549 174.600 -0.073 0.000 1.030 743 S CA 1.657 59.809 58.200 -0.080 0.000 1.002 743 S CB -0.796 62.366 63.200 -0.064 0.000 0.829 743 S HN 0.646 nan 8.310 nan 0.000 0.467 744 V N -0.877 118.993 119.914 -0.074 0.000 3.306 744 V HA 0.176 4.297 4.120 0.001 0.000 0.264 744 V C 2.099 178.170 176.094 -0.038 0.000 1.149 744 V CA 1.354 63.622 62.300 -0.054 0.000 1.143 744 V CB -0.798 30.996 31.823 -0.048 0.000 0.767 744 V HN 0.429 nan 8.190 nan 0.000 0.476 745 S N 0.928 116.595 115.700 -0.055 0.000 2.440 745 S HA -0.194 4.277 4.470 0.001 0.000 0.238 745 S C 1.286 175.887 174.600 0.002 0.000 1.010 745 S CA 1.372 59.556 58.200 -0.027 0.000 0.972 745 S CB -0.980 62.181 63.200 -0.065 0.000 0.774 745 S HN 0.926 nan 8.310 nan 0.000 0.501 746 N N 0.365 119.036 118.700 -0.048 0.000 2.783 746 N HA -0.202 4.539 4.740 0.001 0.000 0.247 746 N C -0.905 174.528 175.510 -0.129 0.000 1.089 746 N CA 0.623 53.601 53.050 -0.120 0.000 0.690 746 N CB -1.047 37.302 38.487 -0.229 0.000 0.991 746 N HN 0.290 nan 8.380 nan 0.000 0.552 747 D N -2.488 117.867 120.400 -0.076 0.000 3.059 747 D HA -0.182 4.458 4.640 0.001 0.000 0.220 747 D C 0.084 176.369 176.300 -0.025 0.000 1.169 747 D CA 1.542 55.509 54.000 -0.055 0.000 0.902 747 D CB -1.062 39.697 40.800 -0.068 0.000 1.116 747 D HN 0.734 nan 8.370 nan 0.000 0.417 748 A N -0.558 122.263 122.820 0.001 0.000 2.313 748 A HA 0.805 5.125 4.320 0.001 0.000 0.323 748 A C -2.532 175.080 177.584 0.048 0.000 1.133 748 A CA -1.121 50.949 52.037 0.053 0.000 0.847 748 A CB 1.354 20.441 19.000 0.145 0.000 1.308 748 A HN -0.039 nan 8.150 nan 0.000 0.475 749 P HA 0.404 nan 4.420 nan 0.000 0.288 749 P C -0.887 176.456 177.300 0.071 0.000 1.267 749 P CA -0.306 62.839 63.100 0.074 0.000 0.815 749 P CB 1.156 32.910 31.700 0.088 0.000 0.989 750 V N 4.223 124.183 119.914 0.077 0.000 2.432 750 V HA 0.121 4.241 4.120 0.001 0.000 0.271 750 V C 0.771 176.964 176.094 0.165 0.000 1.046 750 V CA -0.437 61.902 62.300 0.066 0.000 0.945 750 V CB 0.699 32.464 31.823 -0.098 0.000 0.992 750 V HN 0.443 nan 8.190 nan 0.000 0.471 751 L N 5.983 127.281 121.223 0.126 0.000 2.436 751 L HA 0.466 4.806 4.340 0.001 0.000 0.265 751 L C -0.603 176.356 176.870 0.148 0.000 1.168 751 L CA 0.140 55.059 54.840 0.130 0.000 0.815 751 L CB 0.949 43.071 42.059 0.104 0.000 1.109 751 L HN 0.458 nan 8.230 nan 0.000 0.462 752 L N 4.252 125.547 121.223 0.121 0.000 2.401 752 L HA 0.478 4.818 4.340 0.001 0.000 0.263 752 L C -0.753 176.164 176.870 0.078 0.000 1.004 752 L CA -0.226 54.671 54.840 0.095 0.000 0.881 752 L CB 0.769 42.861 42.059 0.056 0.000 1.219 752 L HN 0.565 nan 8.230 nan 0.000 0.441 753 D N 0.293 120.744 120.400 0.085 0.000 2.268 753 D HA 0.226 4.866 4.640 0.001 0.000 0.249 753 D C -0.574 175.799 176.300 0.120 0.000 1.008 753 D CA -0.252 53.807 54.000 0.098 0.000 0.939 753 D CB 1.332 42.185 40.800 0.088 0.000 1.170 753 D HN 0.406 nan 8.370 nan 0.000 0.468 754 H N 2.411 121.499 119.070 0.030 0.000 2.620 754 H HA 0.131 4.688 4.556 0.001 0.000 0.313 754 H C -0.622 174.736 175.328 0.050 0.000 1.075 754 H CA -0.601 55.463 56.048 0.027 0.000 1.397 754 H CB 0.428 30.192 29.762 0.003 0.000 1.446 754 H HN 0.229 nan 8.280 nan 0.000 0.493 755 F N 6.316 125.896 119.950 -0.616 0.000 2.541 755 F HA 0.104 4.632 4.527 0.001 0.000 0.378 755 F C -0.635 174.795 175.800 -0.617 0.000 1.068 755 F CA -0.414 57.283 58.000 -0.504 0.000 1.199 755 F CB 0.186 38.992 39.000 -0.324 0.000 1.091 755 F HN 0.485 nan 8.300 nan 0.000 0.555 756 L N 6.492 126.976 121.223 -1.232 0.000 2.302 756 L HA 0.212 4.552 4.340 0.001 0.000 0.285 756 L C -0.072 176.083 176.870 -1.193 0.000 1.090 756 L CA -0.775 53.453 54.840 -1.020 0.000 0.866 756 L CB 0.137 41.758 42.059 -0.731 0.000 1.244 756 L HN 0.589 nan 8.230 nan 0.000 0.435 757 D N 2.259 122.183 120.400 -0.793 0.000 2.368 757 D HA -0.050 4.591 4.640 0.001 0.000 0.240 757 D C 0.425 176.584 176.300 -0.235 0.000 1.169 757 D CA -0.013 53.767 54.000 -0.366 0.000 0.906 757 D CB 0.657 41.432 40.800 -0.042 0.000 1.187 757 D HN 0.495 nan 8.370 nan 0.000 0.435 758 D N 0.169 120.514 120.400 -0.093 0.000 2.737 758 D HA -0.204 4.437 4.640 0.001 0.000 0.233 758 D C -0.708 175.534 176.300 -0.097 0.000 1.155 758 D CA 1.150 55.116 54.000 -0.056 0.000 0.667 758 D CB -1.355 39.428 40.800 -0.028 0.000 1.060 758 D HN 0.522 nan 8.370 nan 0.000 0.427 759 A N -0.501 122.234 122.820 -0.142 0.000 2.306 759 A HA 0.665 4.985 4.320 0.001 0.000 0.330 759 A C 0.224 177.766 177.584 -0.069 0.000 1.146 759 A CA -0.555 51.398 52.037 -0.141 0.000 0.827 759 A CB 1.641 20.496 19.000 -0.242 0.000 1.178 759 A HN 0.031 nan 8.150 nan 0.000 0.490 760 V N 1.590 121.468 119.914 -0.060 0.000 2.427 760 V HA 0.342 4.462 4.120 0.001 0.000 0.286 760 V C 0.296 176.360 176.094 -0.050 0.000 1.034 760 V CA -0.417 61.861 62.300 -0.036 0.000 0.893 760 V CB 1.242 33.031 31.823 -0.058 0.000 0.982 760 V HN 0.993 nan 8.190 nan 0.000 0.452 761 E N 3.467 123.626 120.200 -0.069 0.000 2.204 761 E HA 0.681 5.031 4.350 0.001 0.000 0.276 761 E C -1.608 174.702 176.600 -0.484 0.000 0.974 761 E CA -0.454 55.817 56.400 -0.215 0.000 0.815 761 E CB 1.939 31.571 29.700 -0.113 0.000 1.119 761 E HN 0.472 nan 8.360 nan 0.000 0.393 762 V N 3.649 123.371 119.914 -0.320 0.000 2.789 762 V HA 0.324 4.445 4.120 0.001 0.000 0.311 762 V C -0.827 175.244 176.094 -0.038 0.000 1.073 762 V CA -0.902 61.291 62.300 -0.177 0.000 0.921 762 V CB 2.161 34.002 31.823 0.031 0.000 1.009 762 V HN 0.765 nan 8.190 nan 0.000 0.426 763 D N 2.030 122.453 120.400 0.038 0.000 2.391 763 D HA 0.616 5.256 4.640 0.001 0.000 0.245 763 D C -1.366 175.027 176.300 0.156 0.000 1.069 763 D CA -0.079 53.996 54.000 0.125 0.000 0.831 763 D CB 2.578 43.501 40.800 0.205 0.000 1.204 763 D HN 0.301 nan 8.370 nan 0.000 0.503 764 V N 3.203 123.205 119.914 0.146 0.000 2.483 764 V HA 0.271 4.392 4.120 0.001 0.000 0.297 764 V C -0.313 175.836 176.094 0.092 0.000 1.027 764 V CA -0.925 61.463 62.300 0.147 0.000 0.855 764 V CB 2.161 34.120 31.823 0.228 0.000 0.995 764 V HN 0.414 nan 8.190 nan 0.000 0.424 765 D N 3.371 123.819 120.400 0.080 0.000 2.168 765 D HA 0.858 5.498 4.640 0.001 0.000 0.246 765 D C -0.065 176.260 176.300 0.042 0.000 1.050 765 D CA 0.175 54.207 54.000 0.053 0.000 0.857 765 D CB 2.432 43.261 40.800 0.048 0.000 1.169 765 D HN 0.866 nan 8.370 nan 0.000 0.453 766 A N 1.742 124.579 122.820 0.029 0.000 2.566 766 A HA 0.655 4.976 4.320 0.001 0.000 0.290 766 A C -1.545 176.047 177.584 0.013 0.000 1.071 766 A CA -0.636 51.412 52.037 0.018 0.000 0.658 766 A CB 0.878 19.884 19.000 0.011 0.000 1.285 766 A HN 0.455 nan 8.150 nan 0.000 0.427 767 I N -0.046 120.528 120.570 0.006 0.000 2.569 767 I HA 0.610 4.780 4.170 0.001 0.000 0.296 767 I C -0.599 175.503 176.117 -0.026 0.000 1.028 767 I CA -0.633 60.673 61.300 0.009 0.000 1.082 767 I CB 2.014 40.035 38.000 0.035 0.000 1.264 767 I HN 0.696 nan 8.210 nan 0.000 0.429 768 C N 4.689 123.969 119.300 -0.034 0.000 2.431 768 C HA 0.446 4.907 4.460 0.001 0.000 0.321 768 C C 0.174 175.166 174.990 0.004 0.000 1.202 768 C CA -0.529 58.446 59.018 -0.072 0.000 1.398 768 C CB 0.721 28.339 27.740 -0.202 0.000 2.047 768 C HN 0.940 nan 8.230 nan 0.000 0.465 769 D N 2.173 122.604 120.400 0.052 0.000 2.368 769 D HA 0.304 4.945 4.640 0.001 0.000 0.218 769 D C 1.450 177.823 176.300 0.123 0.000 1.112 769 D CA 0.655 54.701 54.000 0.077 0.000 0.834 769 D CB 0.102 40.943 40.800 0.068 0.000 0.953 769 D HN 1.374 nan 8.370 nan 0.000 0.505 770 G N 0.596 109.517 108.800 0.201 0.000 2.320 770 G HA2 -0.398 3.562 3.960 0.001 0.000 0.242 770 G HA3 -0.398 3.562 3.960 0.001 0.000 0.242 770 G C 1.085 176.183 174.900 0.330 0.000 1.033 770 G CA 0.377 45.647 45.100 0.283 0.000 0.620 770 G HN 0.427 nan 8.290 nan 0.000 0.517 771 E N -0.105 120.243 120.200 0.246 0.000 2.127 771 E HA 0.396 4.746 4.350 0.001 0.000 0.191 771 E C 1.556 178.323 176.600 0.279 0.000 0.964 771 E CA 1.070 57.571 56.400 0.168 0.000 0.832 771 E CB 0.044 29.804 29.700 0.100 0.000 0.790 771 E HN 0.767 nan 8.360 nan 0.000 0.465 772 M N -1.746 118.038 119.600 0.306 0.000 2.779 772 M HA 0.579 5.059 4.480 0.001 0.000 0.277 772 M C -1.238 175.141 176.300 0.131 0.000 1.284 772 M CA -1.049 54.432 55.300 0.301 0.000 0.801 772 M CB 2.360 35.056 32.600 0.159 0.000 1.712 772 M HN -0.361 nan 8.290 nan 0.000 0.453 773 V N 2.250 122.199 119.914 0.060 0.000 2.447 773 V HA 0.451 4.571 4.120 0.001 0.000 0.292 773 V C -1.184 174.905 176.094 -0.009 0.000 1.021 773 V CA -0.614 61.643 62.300 -0.072 0.000 0.850 773 V CB 1.636 33.328 31.823 -0.218 0.000 1.005 773 V HN 0.731 nan 8.190 nan 0.000 0.426 774 L N 6.376 127.595 121.223 -0.006 0.000 2.289 774 L HA 0.604 4.944 4.340 0.001 0.000 0.285 774 L C -0.368 176.504 176.870 0.004 0.000 1.049 774 L CA 0.208 55.052 54.840 0.007 0.000 0.804 774 L CB 0.945 43.013 42.059 0.015 0.000 1.195 774 L HN 0.420 nan 8.230 nan 0.000 0.428 775 I N 5.447 126.021 120.570 0.006 0.000 2.352 775 I HA 0.220 4.390 4.170 0.001 0.000 0.290 775 I C 1.278 177.401 176.117 0.010 0.000 1.036 775 I CA 0.297 61.604 61.300 0.011 0.000 1.336 775 I CB 0.794 38.802 38.000 0.012 0.000 1.407 775 I HN 0.887 nan 8.210 nan 0.000 0.497 776 G N 5.065 113.876 108.800 0.018 0.000 2.441 776 G HA2 0.329 4.289 3.960 0.001 0.000 0.212 776 G HA3 0.329 4.289 3.960 0.001 0.000 0.212 776 G C 0.578 175.487 174.900 0.015 0.000 1.164 776 G CA 0.531 45.640 45.100 0.015 0.000 0.811 776 G HN 0.793 nan 8.290 nan 0.000 0.535 777 G N -0.760 108.063 108.800 0.038 0.000 2.658 777 G HA2 0.433 4.394 3.960 0.001 0.000 0.301 777 G HA3 0.433 4.394 3.960 0.001 0.000 0.301 777 G C -1.664 173.289 174.900 0.089 0.000 1.481 777 G CA -0.771 44.361 45.100 0.053 0.000 0.931 777 G HN 0.125 nan 8.290 nan 0.000 0.573 778 I N 2.215 122.840 120.570 0.091 0.000 2.382 778 I HA 0.385 4.555 4.170 0.001 0.000 0.285 778 I C -0.138 176.068 176.117 0.149 0.000 1.007 778 I CA -0.458 60.906 61.300 0.107 0.000 1.142 778 I CB 1.620 39.658 38.000 0.063 0.000 1.289 778 I HN 0.292 nan 8.210 nan 0.000 0.453 779 M N 5.874 125.587 119.600 0.189 0.000 2.364 779 M HA 0.373 4.853 4.480 0.001 0.000 0.334 779 M C -0.261 176.177 176.300 0.231 0.000 1.107 779 M CA -0.361 55.095 55.300 0.260 0.000 0.988 779 M CB 2.051 34.849 32.600 0.330 0.000 1.673 779 M HN 0.378 nan 8.290 nan 0.000 0.441 780 E N 2.796 123.169 120.200 0.287 0.000 2.109 780 E HA 0.229 4.580 4.350 0.001 0.000 0.278 780 E C -1.031 175.820 176.600 0.418 0.000 0.954 780 E CA -0.390 56.169 56.400 0.266 0.000 0.779 780 E CB 0.787 30.631 29.700 0.241 0.000 1.093 780 E HN 0.677 nan 8.360 nan 0.000 0.401 781 H N 3.436 122.629 119.070 0.205 0.000 2.707 781 H HA 0.005 4.561 4.556 0.001 0.000 0.359 781 H C 0.892 176.375 175.328 0.259 0.000 1.113 781 H CA -0.685 55.480 56.048 0.194 0.000 1.422 781 H CB 1.191 31.030 29.762 0.129 0.000 1.443 781 H HN 0.527 nan 8.280 nan 0.000 0.591 782 I N 1.409 122.207 120.570 0.379 0.000 2.206 782 I HA -0.115 4.056 4.170 0.001 0.000 0.239 782 I C 0.625 176.903 176.117 0.269 0.000 1.078 782 I CA 1.017 62.520 61.300 0.337 0.000 1.367 782 I CB -0.169 38.000 38.000 0.282 0.000 1.078 782 I HN 0.609 nan 8.210 nan 0.000 0.413 783 E N 2.172 122.508 120.200 0.227 0.000 2.392 783 E HA 0.063 4.413 4.350 0.001 0.000 0.264 783 E C 0.180 176.905 176.600 0.209 0.000 1.024 783 E CA -0.305 56.209 56.400 0.191 0.000 0.903 783 E CB 0.147 29.937 29.700 0.150 0.000 0.963 783 E HN 0.148 nan 8.360 nan 0.000 0.432 784 Q N 1.549 121.451 119.800 0.169 0.000 2.535 784 Q HA 0.221 4.561 4.340 0.001 0.000 0.228 784 Q C -0.262 175.831 176.000 0.156 0.000 1.062 784 Q CA -0.451 55.436 55.803 0.140 0.000 0.967 784 Q CB 0.292 29.092 28.738 0.103 0.000 1.273 784 Q HN 0.488 nan 8.270 nan 0.000 0.554 785 A N -0.344 122.531 122.820 0.093 0.000 2.531 785 A HA 0.433 4.754 4.320 0.001 0.000 0.236 785 A C 1.179 178.874 177.584 0.186 0.000 1.062 785 A CA 0.856 52.943 52.037 0.083 0.000 0.760 785 A CB -0.823 18.145 19.000 -0.052 0.000 0.995 785 A HN 1.519 nan 8.150 nan 0.000 0.501 786 G N 0.371 109.312 108.800 0.234 0.000 2.253 786 G HA2 -0.113 3.848 3.960 0.001 0.000 0.209 786 G HA3 -0.113 3.848 3.960 0.001 0.000 0.209 786 G C 0.049 175.057 174.900 0.180 0.000 0.997 786 G CA 0.037 45.345 45.100 0.346 0.000 0.640 786 G HN 1.483 nan 8.290 nan 0.000 0.496 787 V N 3.332 123.345 119.914 0.165 0.000 2.313 787 V HA 0.400 4.520 4.120 0.001 0.000 0.278 787 V C 0.762 176.937 176.094 0.135 0.000 1.017 787 V CA -1.086 61.299 62.300 0.141 0.000 0.823 787 V CB 1.114 33.017 31.823 0.134 0.000 1.010 787 V HN 0.435 nan 8.190 nan 0.000 0.443 788 H N 3.795 122.897 119.070 0.053 0.000 3.201 788 H HA -0.122 4.434 4.556 0.001 0.000 0.301 788 H C 1.736 177.060 175.328 -0.007 0.000 0.948 788 H CA 1.157 57.222 56.048 0.030 0.000 1.369 788 H CB 1.017 30.780 29.762 0.003 0.000 1.293 788 H HN 0.891 nan 8.280 nan 0.000 0.575 789 S N 2.850 118.433 115.700 -0.194 0.000 2.407 789 S HA -0.175 4.295 4.470 0.001 0.000 0.235 789 S C 2.278 176.857 174.600 -0.035 0.000 1.036 789 S CA 1.105 59.221 58.200 -0.139 0.000 1.013 789 S CB -0.574 62.640 63.200 0.024 0.000 0.820 789 S HN 0.731 nan 8.310 nan 0.000 0.476 790 G N 0.896 109.937 108.800 0.401 0.000 2.471 790 G HA2 -0.069 3.891 3.960 0.001 0.000 0.219 790 G HA3 -0.069 3.891 3.960 0.001 0.000 0.219 790 G C 0.865 175.782 174.900 0.027 0.000 1.125 790 G CA 0.897 46.110 45.100 0.188 0.000 0.775 790 G HN 0.585 nan 8.290 nan 0.000 0.548 791 D N -0.382 120.050 120.400 0.053 0.000 2.433 791 D HA 0.175 4.815 4.640 0.001 0.000 0.211 791 D C 0.604 176.893 176.300 -0.018 0.000 1.114 791 D CA 0.031 54.036 54.000 0.009 0.000 0.837 791 D CB 0.737 41.569 40.800 0.052 0.000 0.984 791 D HN 0.089 nan 8.370 nan 0.000 0.505 792 S N 0.576 116.220 115.700 -0.093 0.000 2.585 792 S HA 0.661 5.132 4.470 0.001 0.000 0.277 792 S C 0.288 174.812 174.600 -0.128 0.000 1.241 792 S CA -0.775 57.350 58.200 -0.125 0.000 1.041 792 S CB 1.963 64.972 63.200 -0.318 0.000 0.987 792 S HN 0.214 nan 8.310 nan 0.000 0.512 793 A N 0.980 123.800 122.820 -0.001 0.000 2.304 793 A HA 0.653 4.973 4.320 0.001 0.000 0.271 793 A C 0.295 177.921 177.584 0.070 0.000 1.091 793 A CA -0.597 51.457 52.037 0.029 0.000 0.812 793 A CB -0.315 18.802 19.000 0.194 0.000 1.056 793 A HN 1.257 nan 8.150 nan 0.000 0.489 794 C N -0.202 119.134 119.300 0.061 0.000 3.086 794 C HA 0.856 5.316 4.460 0.001 0.000 0.311 794 C C -0.263 174.884 174.990 0.262 0.000 1.260 794 C CA -0.471 58.658 59.018 0.186 0.000 1.426 794 C CB 0.894 28.744 27.740 0.183 0.000 1.826 794 C HN 1.080 nan 8.230 nan 0.000 0.474 795 S N 1.291 117.225 115.700 0.389 0.000 2.501 795 S HA 0.817 5.287 4.470 0.001 0.000 0.301 795 S C -1.204 173.685 174.600 0.481 0.000 1.096 795 S CA -0.563 57.927 58.200 0.484 0.000 1.063 795 S CB 1.132 64.646 63.200 0.524 0.000 1.042 795 S HN 1.062 nan 8.310 nan 0.000 0.494 796 L N 6.281 127.804 121.223 0.499 0.000 2.457 796 L HA 0.567 4.907 4.340 0.001 0.000 0.266 796 L C -2.603 174.414 176.870 0.245 0.000 0.979 796 L CA -1.957 53.088 54.840 0.341 0.000 0.857 796 L CB 2.270 44.494 42.059 0.275 0.000 1.213 796 L HN 0.515 nan 8.230 nan 0.000 0.418 797 P HA 0.260 nan 4.420 nan 0.000 0.279 797 P C -0.636 176.866 177.300 0.336 0.000 1.276 797 P CA -0.436 62.751 63.100 0.146 0.000 0.801 797 P CB 0.656 32.353 31.700 -0.006 0.000 1.127 798 A N 0.427 123.393 122.820 0.242 0.000 2.555 798 A HA 0.050 4.371 4.320 0.001 0.000 0.233 798 A C 0.403 178.176 177.584 0.316 0.000 1.060 798 A CA 0.400 52.590 52.037 0.255 0.000 0.759 798 A CB -0.880 18.179 19.000 0.098 0.000 0.995 798 A HN 0.730 nan 8.150 nan 0.000 0.506 799 Y N -0.359 119.947 120.300 0.010 0.000 2.444 799 Y HA 0.317 4.867 4.550 0.001 0.000 0.249 799 Y C 1.328 177.117 175.900 -0.186 0.000 1.134 799 Y CA 0.628 58.644 58.100 -0.140 0.000 1.261 799 Y CB -0.370 37.702 38.460 -0.647 0.000 1.143 799 Y HN 0.649 nan 8.280 nan 0.000 0.523 800 T N -2.433 111.780 114.554 -0.567 0.000 3.029 800 T HA 0.302 4.653 4.350 0.001 0.000 0.256 800 T C 0.187 174.726 174.700 -0.269 0.000 0.914 800 T CA -0.205 61.609 62.100 -0.477 0.000 0.880 800 T CB -0.643 67.820 68.868 -0.674 0.000 1.246 800 T HN 0.117 nan 8.240 nan 0.000 0.523 801 L N 4.108 125.206 121.223 -0.209 0.000 2.490 801 L HA 0.369 4.709 4.340 0.001 0.000 0.274 801 L C 0.921 177.732 176.870 -0.099 0.000 1.201 801 L CA -0.451 54.308 54.840 -0.136 0.000 0.869 801 L CB 0.708 42.705 42.059 -0.105 0.000 1.123 801 L HN 0.469 nan 8.230 nan 0.000 0.484 802 S N 1.866 117.509 115.700 -0.095 0.000 2.564 802 S HA 0.029 4.499 4.470 0.001 0.000 0.278 802 S C 0.661 175.220 174.600 -0.069 0.000 1.333 802 S CA -0.605 57.550 58.200 -0.076 0.000 1.048 802 S CB 1.634 64.791 63.200 -0.073 0.000 0.900 802 S HN 0.682 nan 8.310 nan 0.000 0.505 803 Q N 1.870 121.637 119.800 -0.055 0.000 2.077 803 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 803 Q C 2.020 177.985 176.000 -0.059 0.000 0.989 803 Q CA 2.536 58.309 55.803 -0.051 0.000 0.853 803 Q CB -0.535 28.178 28.738 -0.041 0.000 0.907 803 Q HN 0.990 nan 8.270 nan 0.000 0.418 804 E N -0.410 119.756 120.200 -0.058 0.000 2.086 804 E HA -0.241 4.109 4.350 0.001 0.000 0.200 804 E C 1.942 178.495 176.600 -0.077 0.000 1.012 804 E CA 1.583 57.947 56.400 -0.060 0.000 0.812 804 E CB -0.399 29.268 29.700 -0.054 0.000 0.743 804 E HN 0.569 nan 8.360 nan 0.000 0.453 805 I N 0.575 121.093 120.570 -0.087 0.000 2.439 805 I HA -0.208 3.962 4.170 0.001 0.000 0.251 805 I C 2.314 178.343 176.117 -0.147 0.000 1.139 805 I CA 1.117 62.349 61.300 -0.114 0.000 1.438 805 I CB -0.286 37.649 38.000 -0.108 0.000 1.085 805 I HN 0.341 nan 8.210 nan 0.000 0.427 806 Q N 0.299 120.027 119.800 -0.120 0.000 2.084 806 Q HA -0.237 4.103 4.340 0.001 0.000 0.202 806 Q C 1.628 177.554 176.000 -0.123 0.000 0.978 806 Q CA 1.668 57.398 55.803 -0.122 0.000 0.844 806 Q CB -0.088 28.605 28.738 -0.075 0.000 0.898 806 Q HN 0.483 nan 8.270 nan 0.000 0.426 807 D N 0.065 120.409 120.400 -0.093 0.000 2.182 807 D HA -0.126 4.515 4.640 0.001 0.000 0.201 807 D C 1.961 178.208 176.300 -0.089 0.000 0.986 807 D CA 0.901 54.856 54.000 -0.075 0.000 0.847 807 D CB -0.074 40.694 40.800 -0.054 0.000 0.942 807 D HN 0.090 nan 8.370 nan 0.000 0.467 808 V N 0.962 120.802 119.914 -0.123 0.000 2.307 808 V HA -0.238 3.883 4.120 0.001 0.000 0.245 808 V C 2.542 178.525 176.094 -0.186 0.000 1.045 808 V CA 1.360 63.578 62.300 -0.136 0.000 1.024 808 V CB -0.442 31.284 31.823 -0.161 0.000 0.651 808 V HN 0.170 nan 8.190 nan 0.000 0.449 809 M N -0.612 118.796 119.600 -0.321 0.000 2.117 809 M HA -0.145 4.335 4.480 0.001 0.000 0.262 809 M C 2.448 178.648 176.300 -0.167 0.000 1.065 809 M CA 1.745 56.724 55.300 -0.536 0.000 1.114 809 M CB -0.506 31.524 32.600 -0.950 0.000 1.361 809 M HN 0.200 nan 8.290 nan 0.000 0.408 810 R N 0.093 120.533 120.500 -0.099 0.000 2.105 810 R HA -0.171 4.169 4.340 0.001 0.000 0.239 810 R C 2.170 178.479 176.300 0.015 0.000 1.135 810 R CA 1.328 57.419 56.100 -0.015 0.000 0.967 810 R CB -0.447 29.841 30.300 -0.020 0.000 0.861 810 R HN 0.585 nan 8.270 nan 0.000 0.442 811 Q N 0.324 120.121 119.800 -0.004 0.000 2.083 811 Q HA -0.149 4.191 4.340 0.001 0.000 0.198 811 Q C 2.075 178.109 176.000 0.056 0.000 0.969 811 Q CA 1.075 56.892 55.803 0.024 0.000 0.838 811 Q CB 0.053 28.793 28.738 0.003 0.000 0.900 811 Q HN 0.413 nan 8.270 nan 0.000 0.436 812 Q N -0.029 119.811 119.800 0.065 0.000 2.170 812 Q HA -0.123 4.217 4.340 0.001 0.000 0.203 812 Q C 2.081 178.194 176.000 0.188 0.000 0.976 812 Q CA 0.922 56.810 55.803 0.142 0.000 0.858 812 Q CB 0.217 29.081 28.738 0.210 0.000 0.907 812 Q HN 0.152 nan 8.270 nan 0.000 0.433 813 V N 0.435 120.468 119.914 0.198 0.000 2.261 813 V HA -0.314 3.806 4.120 0.001 0.000 0.246 813 V C 2.257 178.371 176.094 0.033 0.000 1.047 813 V CA 2.199 64.587 62.300 0.147 0.000 1.015 813 V CB -0.599 31.304 31.823 0.133 0.000 0.642 813 V HN 0.462 nan 8.190 nan 0.000 0.446 814 Q N -0.195 119.618 119.800 0.022 0.000 2.096 814 Q HA -0.290 4.050 4.340 0.001 0.000 0.204 814 Q C 2.292 178.313 176.000 0.034 0.000 0.982 814 Q CA 2.007 57.791 55.803 -0.032 0.000 0.850 814 Q CB -0.041 28.738 28.738 0.069 0.000 0.901 814 Q HN 0.547 nan 8.270 nan 0.000 0.422 815 K N 0.034 120.499 120.400 0.109 0.000 2.057 815 K HA -0.126 4.195 4.320 0.001 0.000 0.207 815 K C 2.015 178.678 176.600 0.105 0.000 1.049 815 K CA 1.330 57.702 56.287 0.143 0.000 0.931 815 K CB -0.103 32.456 32.500 0.097 0.000 0.714 815 K HN 0.201 nan 8.250 nan 0.000 0.440 816 L N -0.018 121.241 121.223 0.061 0.000 2.017 816 L HA -0.207 4.133 4.340 0.001 0.000 0.208 816 L C 2.452 179.326 176.870 0.006 0.000 1.073 816 L CA 1.268 56.138 54.840 0.050 0.000 0.745 816 L CB -0.647 41.457 42.059 0.075 0.000 0.894 816 L HN 0.235 nan 8.230 nan 0.000 0.432 817 A N 0.407 123.164 122.820 -0.105 0.000 1.859 817 A HA -0.262 4.058 4.320 0.001 0.000 0.218 817 A C 2.032 179.499 177.584 -0.194 0.000 1.209 817 A CA 2.072 53.966 52.037 -0.238 0.000 0.639 817 A CB -1.036 17.673 19.000 -0.484 0.000 0.835 817 A HN 0.289 nan 8.150 nan 0.000 0.450 818 F N -0.166 119.808 119.950 0.039 0.000 2.102 818 F HA -0.101 4.427 4.527 0.001 0.000 0.298 818 F C 2.383 178.201 175.800 0.029 0.000 1.105 818 F CA 1.661 59.679 58.000 0.030 0.000 1.239 818 F CB -0.934 38.080 39.000 0.024 0.000 0.991 818 F HN 0.378 nan 8.300 nan 0.000 0.474 819 E N 0.634 120.962 120.200 0.214 0.000 2.153 819 E HA -0.153 4.197 4.350 0.001 0.000 0.194 819 E C 1.942 178.601 176.600 0.098 0.000 0.988 819 E CA 1.238 57.717 56.400 0.132 0.000 0.811 819 E CB -0.445 29.308 29.700 0.089 0.000 0.746 819 E HN 0.432 nan 8.360 nan 0.000 0.466 820 L N -0.652 120.621 121.223 0.084 0.000 2.418 820 L HA 0.056 4.397 4.340 0.001 0.000 0.218 820 L C 0.329 177.239 176.870 0.067 0.000 1.125 820 L CA 0.275 55.159 54.840 0.074 0.000 0.835 820 L CB 0.085 42.191 42.059 0.077 0.000 0.953 820 L HN 0.165 nan 8.230 nan 0.000 0.454 821 Q N -0.379 119.468 119.800 0.078 0.000 2.430 821 Q HA -0.107 4.233 4.340 0.001 0.000 0.282 821 Q C -0.777 175.255 176.000 0.053 0.000 1.301 821 Q CA 0.247 56.100 55.803 0.083 0.000 0.754 821 Q CB -2.165 26.614 28.738 0.068 0.000 1.158 821 Q HN 0.088 nan 8.270 nan 0.000 0.417 822 V N 1.747 121.675 119.914 0.023 0.000 2.572 822 V HA 0.347 4.468 4.120 0.001 0.000 0.291 822 V C 0.672 176.772 176.094 0.011 0.000 1.039 822 V CA 0.186 62.488 62.300 0.003 0.000 1.055 822 V CB 1.119 32.923 31.823 -0.033 0.000 0.969 822 V HN 0.159 nan 8.190 nan 0.000 0.482 823 R N 4.033 124.545 120.500 0.021 0.000 2.467 823 R HA 0.656 4.996 4.340 0.001 0.000 0.299 823 R C 0.316 176.633 176.300 0.028 0.000 1.120 823 R CA 0.266 56.381 56.100 0.026 0.000 0.940 823 R CB 1.012 31.328 30.300 0.026 0.000 1.161 823 R HN 1.074 nan 8.270 nan 0.000 0.506 824 G N 1.645 110.468 108.800 0.038 0.000 2.384 824 G HA2 -0.195 3.765 3.960 0.001 0.000 0.200 824 G HA3 -0.195 3.765 3.960 0.001 0.000 0.200 824 G C -1.019 173.930 174.900 0.082 0.000 1.205 824 G CA -0.904 44.238 45.100 0.070 0.000 1.116 824 G HN 0.342 nan 8.290 nan 0.000 0.547 825 L N 1.443 122.748 121.223 0.136 0.000 2.439 825 L HA 0.822 5.162 4.340 0.001 0.000 0.261 825 L C 0.947 177.857 176.870 0.067 0.000 1.153 825 L CA -0.038 54.864 54.840 0.103 0.000 0.808 825 L CB 1.311 43.441 42.059 0.118 0.000 1.126 825 L HN 0.986 nan 8.230 nan 0.000 0.460 826 M N 1.399 121.021 119.600 0.037 0.000 2.682 826 M HA 0.453 4.933 4.480 0.001 0.000 0.272 826 M C -2.026 174.278 176.300 0.007 0.000 1.232 826 M CA -0.746 54.563 55.300 0.014 0.000 0.849 826 M CB 2.381 34.978 32.600 -0.005 0.000 1.695 826 M HN 0.532 nan 8.290 nan 0.000 0.481 827 N N 1.543 120.235 118.700 -0.014 0.000 2.310 827 N HA 0.673 5.414 4.740 0.001 0.000 0.292 827 N C -2.334 173.132 175.510 -0.073 0.000 1.049 827 N CA -0.282 52.756 53.050 -0.020 0.000 0.849 827 N CB 2.900 41.383 38.487 -0.006 0.000 1.532 827 N HN 0.655 nan 8.380 nan 0.000 0.479 828 V N 2.343 122.208 119.914 -0.082 0.000 2.656 828 V HA 0.422 4.542 4.120 0.001 0.000 0.307 828 V C -0.521 175.400 176.094 -0.289 0.000 1.051 828 V CA -0.725 61.439 62.300 -0.227 0.000 0.893 828 V CB 1.771 33.427 31.823 -0.278 0.000 0.999 828 V HN 0.640 nan 8.190 nan 0.000 0.426 829 Q N 2.998 122.556 119.800 -0.403 0.000 2.333 829 Q HA 0.711 5.051 4.340 0.001 0.000 0.268 829 Q C -1.637 174.120 176.000 -0.404 0.000 1.007 829 Q CA -0.165 55.463 55.803 -0.292 0.000 0.810 829 Q CB 2.081 30.721 28.738 -0.163 0.000 1.264 829 Q HN 0.680 nan 8.270 nan 0.000 0.452 830 F N 0.508 120.446 119.950 -0.020 0.000 2.579 830 F HA 0.836 5.364 4.527 0.001 0.000 0.324 830 F C -0.045 175.732 175.800 -0.039 0.000 1.058 830 F CA -1.137 56.864 58.000 0.001 0.000 0.944 830 F CB 1.648 40.651 39.000 0.004 0.000 1.245 830 F HN 0.452 nan 8.300 nan 0.000 0.477 831 A N 0.810 123.771 122.820 0.235 0.000 2.365 831 A HA 0.811 5.131 4.320 0.001 0.000 0.318 831 A C -1.608 176.060 177.584 0.139 0.000 1.091 831 A CA -0.692 51.397 52.037 0.087 0.000 0.763 831 A CB 1.462 20.445 19.000 -0.029 0.000 1.248 831 A HN 0.546 nan 8.150 nan 0.000 0.442 832 V N 3.059 123.000 119.914 0.045 0.000 2.305 832 V HA 0.337 4.457 4.120 0.001 0.000 0.275 832 V C -0.055 176.050 176.094 0.018 0.000 1.020 832 V CA -0.386 61.952 62.300 0.063 0.000 0.811 832 V CB 0.995 32.815 31.823 -0.006 0.000 1.031 832 V HN 0.868 nan 8.190 nan 0.000 0.439 833 K N 3.344 123.789 120.400 0.076 0.000 2.206 833 K HA 0.430 4.751 4.320 0.001 0.000 0.264 833 K C 0.353 177.018 176.600 0.107 0.000 0.967 833 K CA -0.593 55.698 56.287 0.008 0.000 0.844 833 K CB 0.688 33.075 32.500 -0.188 0.000 1.099 833 K HN 0.776 nan 8.250 nan 0.000 0.441 834 N N 3.864 122.583 118.700 0.032 0.000 2.696 834 N HA -0.319 4.421 4.740 0.001 0.000 0.271 834 N C -0.510 175.021 175.510 0.034 0.000 0.997 834 N CA 0.756 53.823 53.050 0.028 0.000 0.801 834 N CB -1.070 37.435 38.487 0.031 0.000 0.913 834 N HN 0.894 nan 8.380 nan 0.000 0.557 835 N N -1.169 117.538 118.700 0.011 0.000 2.708 835 N HA -0.234 4.506 4.740 0.001 0.000 0.251 835 N C -1.252 174.255 175.510 -0.005 0.000 1.123 835 N CA 1.363 54.407 53.050 -0.010 0.000 0.739 835 N CB -0.242 38.228 38.487 -0.027 0.000 1.113 835 N HN 0.701 nan 8.380 nan 0.000 0.561 836 E N 0.007 120.240 120.200 0.056 0.000 2.222 836 E HA 0.428 4.778 4.350 0.001 0.000 0.267 836 E C -0.564 176.074 176.600 0.064 0.000 0.884 836 E CA -0.781 55.619 56.400 -0.000 0.000 0.764 836 E CB 2.412 32.072 29.700 -0.067 0.000 1.169 836 E HN -0.058 nan 8.360 nan 0.000 0.413 837 V N 3.611 123.471 119.914 -0.090 0.000 2.383 837 V HA 0.253 4.373 4.120 0.001 0.000 0.275 837 V C -0.955 175.140 176.094 0.001 0.000 1.036 837 V CA -0.558 61.747 62.300 0.007 0.000 0.889 837 V CB -0.193 31.557 31.823 -0.121 0.000 0.985 837 V HN 0.523 nan 8.190 nan 0.000 0.459 838 Y N 4.138 124.501 120.300 0.106 0.000 2.420 838 Y HA 0.628 5.179 4.550 0.001 0.000 0.334 838 Y C -0.132 175.900 175.900 0.221 0.000 1.094 838 Y CA -1.620 56.553 58.100 0.122 0.000 1.126 838 Y CB 1.326 39.818 38.460 0.052 0.000 1.217 838 Y HN 0.374 nan 8.280 nan 0.000 0.462 839 L N 3.357 124.759 121.223 0.299 0.000 2.264 839 L HA 0.410 4.750 4.340 0.001 0.000 0.289 839 L C 0.164 177.126 176.870 0.154 0.000 1.044 839 L CA 0.175 55.121 54.840 0.177 0.000 0.807 839 L CB 0.428 42.573 42.059 0.144 0.000 1.192 839 L HN 0.777 nan 8.230 nan 0.000 0.425 840 I N 2.574 123.169 120.570 0.042 0.000 2.685 840 I HA 0.113 4.283 4.170 0.001 0.000 0.251 840 I C 0.185 176.289 176.117 -0.020 0.000 1.102 840 I CA 0.283 61.596 61.300 0.022 0.000 1.442 840 I CB 0.414 38.391 38.000 -0.038 0.000 1.194 840 I HN 0.745 nan 8.210 nan 0.000 0.448 841 E N -0.860 119.241 120.200 -0.166 0.000 2.417 841 E HA 0.464 4.815 4.350 0.001 0.000 0.280 841 E C -1.589 174.729 176.600 -0.470 0.000 1.112 841 E CA -0.849 55.271 56.400 -0.466 0.000 0.863 841 E CB 1.746 31.193 29.700 -0.422 0.000 1.346 841 E HN -0.198 nan 8.360 nan 0.000 0.443 842 V N 1.422 120.909 119.914 -0.713 0.000 2.656 842 V HA 0.524 4.645 4.120 0.001 0.000 0.307 842 V C -0.932 174.965 176.094 -0.328 0.000 1.051 842 V CA -0.997 61.072 62.300 -0.385 0.000 0.893 842 V CB 1.853 33.569 31.823 -0.178 0.000 0.999 842 V HN 0.664 nan 8.190 nan 0.000 0.426 843 N N 4.830 123.421 118.700 -0.181 0.000 2.518 843 N HA 0.325 5.066 4.740 0.001 0.000 0.254 843 N C -2.638 172.830 175.510 -0.070 0.000 0.979 843 N CA -1.326 51.647 53.050 -0.129 0.000 0.930 843 N CB 2.433 40.878 38.487 -0.070 0.000 1.152 843 N HN 0.398 nan 8.380 nan 0.000 0.505 844 P HA -0.011 nan 4.420 nan 0.000 0.262 844 P C -0.399 176.907 177.300 0.011 0.000 1.647 844 P CA 0.469 63.553 63.100 -0.026 0.000 0.865 844 P CB -0.254 31.424 31.700 -0.037 0.000 1.834 845 R N -2.033 118.487 120.500 0.032 0.000 2.835 845 R HA 0.703 5.043 4.340 0.001 0.000 0.271 845 R C -1.287 175.078 176.300 0.109 0.000 1.013 845 R CA -1.169 54.986 56.100 0.091 0.000 0.876 845 R CB -0.020 30.329 30.300 0.082 0.000 1.348 845 R HN -0.151 nan 8.270 nan 0.000 0.453 846 A N 0.651 123.561 122.820 0.149 0.000 2.488 846 A HA 0.574 4.894 4.320 0.001 0.000 0.249 846 A C 0.177 177.856 177.584 0.159 0.000 1.083 846 A CA 0.346 52.416 52.037 0.055 0.000 0.768 846 A CB -0.091 18.821 19.000 -0.146 0.000 1.017 846 A HN 0.808 nan 8.150 nan 0.000 0.496 847 A N 2.158 125.003 122.820 0.042 0.000 2.269 847 A HA 0.620 4.940 4.320 0.001 0.000 0.327 847 A C 1.308 178.776 177.584 -0.194 0.000 1.112 847 A CA -0.211 51.853 52.037 0.045 0.000 0.865 847 A CB 0.436 19.455 19.000 0.031 0.000 1.227 847 A HN 1.068 nan 8.150 nan 0.000 0.498 848 R N -0.885 119.477 120.500 -0.230 0.000 2.237 848 R HA -0.085 4.256 4.340 0.001 0.000 0.219 848 R C 0.887 177.034 176.300 -0.256 0.000 1.080 848 R CA 1.981 57.830 56.100 -0.417 0.000 0.995 848 R CB -0.789 29.331 30.300 -0.299 0.000 0.875 848 R HN 0.662 nan 8.270 nan 0.000 0.462 849 T N -2.668 111.814 114.554 -0.119 0.000 3.100 849 T HA 0.146 4.496 4.350 0.001 0.000 0.253 849 T C 1.798 176.510 174.700 0.020 0.000 1.118 849 T CA 0.179 62.273 62.100 -0.009 0.000 1.058 849 T CB 0.220 69.132 68.868 0.073 0.000 0.953 849 T HN 0.015 nan 8.240 nan 0.000 0.515 850 V N 3.024 122.882 119.914 -0.094 0.000 2.287 850 V HA -0.098 4.022 4.120 0.001 0.000 0.248 850 V C -0.173 175.827 176.094 -0.156 0.000 1.053 850 V CA 2.013 64.254 62.300 -0.099 0.000 1.027 850 V CB -1.224 30.526 31.823 -0.123 0.000 0.646 850 V HN 0.402 nan 8.190 nan 0.000 0.447 851 P HA -0.184 nan 4.420 nan 0.000 0.216 851 P C 1.678 178.811 177.300 -0.278 0.000 1.150 851 P CA 1.522 64.229 63.100 -0.655 0.000 0.837 851 P CB -0.157 30.858 31.700 -1.142 0.000 0.786 852 F N 0.611 120.405 119.950 -0.260 0.000 2.084 852 F HA -0.161 4.367 4.527 0.001 0.000 0.296 852 F C 2.005 177.775 175.800 -0.050 0.000 1.111 852 F CA 1.319 59.238 58.000 -0.134 0.000 1.224 852 F CB -1.055 37.882 39.000 -0.105 0.000 0.991 852 F HN -0.328 nan 8.300 nan 0.000 0.471 853 V N 0.047 119.874 119.914 -0.145 0.000 2.392 853 V HA -0.320 3.800 4.120 0.001 0.000 0.249 853 V C 2.472 178.473 176.094 -0.155 0.000 1.059 853 V CA 2.169 64.352 62.300 -0.196 0.000 1.051 853 V CB -1.026 30.789 31.823 -0.013 0.000 0.658 853 V HN 0.427 nan 8.190 nan 0.000 0.455 854 S N -0.666 114.984 115.700 -0.083 0.000 2.368 854 S HA -0.192 4.278 4.470 0.001 0.000 0.224 854 S C 2.019 176.650 174.600 0.052 0.000 1.029 854 S CA 1.365 59.569 58.200 0.007 0.000 0.988 854 S CB -0.261 62.992 63.200 0.088 0.000 0.838 854 S HN 0.453 nan 8.310 nan 0.000 0.462 855 K N 1.707 122.112 120.400 0.008 0.000 2.097 855 K HA 0.141 4.461 4.320 0.001 0.000 0.205 855 K C 2.088 178.783 176.600 0.159 0.000 1.050 855 K CA 1.112 57.449 56.287 0.083 0.000 0.938 855 K CB -0.451 32.024 32.500 -0.042 0.000 0.718 855 K HN 0.327 nan 8.250 nan 0.000 0.442 856 A N -0.145 122.631 122.820 -0.073 0.000 1.898 856 A HA -0.108 4.213 4.320 0.001 0.000 0.214 856 A C 2.178 179.834 177.584 0.119 0.000 1.183 856 A CA 1.931 53.973 52.037 0.009 0.000 0.622 856 A CB -0.886 17.945 19.000 -0.283 0.000 0.824 856 A HN 0.458 nan 8.150 nan 0.000 0.444 857 T N -4.765 109.766 114.554 -0.039 0.000 3.035 857 T HA 0.369 4.719 4.350 0.001 0.000 0.259 857 T C 1.528 176.085 174.700 -0.239 0.000 1.078 857 T CA 1.297 63.333 62.100 -0.107 0.000 1.132 857 T CB 0.044 68.850 68.868 -0.103 0.000 0.900 857 T HN 1.690 nan 8.240 nan 0.000 0.480 858 G N 0.475 109.061 108.800 -0.356 0.000 2.175 858 G HA2 -0.196 3.764 3.960 0.001 0.000 0.244 858 G HA3 -0.196 3.764 3.960 0.001 0.000 0.244 858 G C 0.015 174.747 174.900 -0.279 0.000 0.982 858 G CA -0.039 44.550 45.100 -0.853 0.000 0.641 858 G HN 0.748 nan 8.290 nan 0.000 0.527 859 V N 1.989 121.833 119.914 -0.118 0.000 2.427 859 V HA 0.538 4.658 4.120 0.001 0.000 0.286 859 V C -1.863 174.265 176.094 0.056 0.000 1.034 859 V CA -1.494 60.790 62.300 -0.027 0.000 0.893 859 V CB 1.899 33.707 31.823 -0.026 0.000 0.982 859 V HN 0.115 nan 8.190 nan 0.000 0.452 860 P HA 0.306 nan 4.420 nan 0.000 0.225 860 P C 0.954 178.367 177.300 0.189 0.000 1.830 860 P CA -0.255 62.971 63.100 0.209 0.000 1.051 860 P CB 0.352 32.159 31.700 0.178 0.000 1.929 861 L N 1.063 122.374 121.223 0.146 0.000 2.089 861 L HA -0.277 4.063 4.340 0.001 0.000 0.213 861 L C 2.383 179.344 176.870 0.152 0.000 1.079 861 L CA 2.130 57.039 54.840 0.114 0.000 0.758 861 L CB -1.089 41.010 42.059 0.068 0.000 0.891 861 L HN 0.193 nan 8.230 nan 0.000 0.433 862 A N -0.481 122.452 122.820 0.189 0.000 2.015 862 A HA -0.146 4.175 4.320 0.001 0.000 0.219 862 A C 2.338 180.124 177.584 0.335 0.000 1.163 862 A CA 1.241 53.405 52.037 0.210 0.000 0.646 862 A CB -0.217 18.823 19.000 0.066 0.000 0.806 862 A HN 0.341 nan 8.150 nan 0.000 0.448 863 K N -0.295 120.265 120.400 0.267 0.000 1.991 863 K HA -0.050 4.270 4.320 0.001 0.000 0.207 863 K C 1.960 178.638 176.600 0.129 0.000 1.045 863 K CA 1.393 57.772 56.287 0.154 0.000 0.937 863 K CB -0.559 31.963 32.500 0.036 0.000 0.720 863 K HN 0.288 nan 8.250 nan 0.000 0.438 864 V N 1.925 121.909 119.914 0.116 0.000 2.231 864 V HA -0.312 3.809 4.120 0.001 0.000 0.250 864 V C 2.471 178.628 176.094 0.105 0.000 1.058 864 V CA 2.274 64.629 62.300 0.091 0.000 1.022 864 V CB -0.983 30.885 31.823 0.075 0.000 0.640 864 V HN 0.403 nan 8.190 nan 0.000 0.445 865 A N -0.285 122.625 122.820 0.150 0.000 2.024 865 A HA -0.061 4.259 4.320 0.001 0.000 0.220 865 A C 2.349 180.015 177.584 0.136 0.000 1.164 865 A CA 2.071 54.207 52.037 0.166 0.000 0.643 865 A CB -0.664 18.470 19.000 0.222 0.000 0.806 865 A HN 0.637 nan 8.150 nan 0.000 0.451 866 A N -0.192 122.717 122.820 0.149 0.000 1.897 866 A HA -0.072 4.249 4.320 0.001 0.000 0.215 866 A C 2.215 179.779 177.584 -0.034 0.000 1.181 866 A CA 1.250 53.280 52.037 -0.012 0.000 0.620 866 A CB -0.372 18.639 19.000 0.019 0.000 0.821 866 A HN 0.536 nan 8.150 nan 0.000 0.443 867 R N -0.589 119.926 120.500 0.024 0.000 2.081 867 R HA -0.079 4.261 4.340 0.001 0.000 0.235 867 R C 2.026 178.340 176.300 0.022 0.000 1.131 867 R CA 1.399 57.516 56.100 0.029 0.000 0.960 867 R CB -0.640 29.693 30.300 0.055 0.000 0.856 867 R HN 0.357 nan 8.270 nan 0.000 0.436 868 V N 1.586 121.518 119.914 0.030 0.000 2.252 868 V HA -0.329 3.791 4.120 0.001 0.000 0.249 868 V C 2.350 178.446 176.094 0.004 0.000 1.056 868 V CA 2.039 64.357 62.300 0.029 0.000 1.022 868 V CB -0.408 31.440 31.823 0.042 0.000 0.641 868 V HN 0.359 nan 8.190 nan 0.000 0.445 869 M N -0.179 119.406 119.600 -0.025 0.000 2.202 869 M HA -0.174 4.306 4.480 0.001 0.000 0.262 869 M C 2.134 178.387 176.300 -0.079 0.000 1.063 869 M CA 2.077 57.340 55.300 -0.060 0.000 1.097 869 M CB -0.558 31.974 32.600 -0.113 0.000 1.382 869 M HN 0.406 nan 8.290 nan 0.000 0.413 870 A N -0.451 122.311 122.820 -0.096 0.000 2.169 870 A HA 0.333 4.654 4.320 0.001 0.000 0.212 870 A C 1.695 179.284 177.584 0.008 0.000 1.153 870 A CA 1.101 53.063 52.037 -0.125 0.000 0.756 870 A CB -0.361 18.467 19.000 -0.287 0.000 0.813 870 A HN 0.648 nan 8.150 nan 0.000 0.471 871 G N -1.498 107.319 108.800 0.028 0.000 2.198 871 G HA2 -0.119 3.841 3.960 0.001 0.000 0.156 871 G HA3 -0.119 3.841 3.960 0.001 0.000 0.156 871 G C 0.043 174.978 174.900 0.058 0.000 1.012 871 G CA 0.078 45.209 45.100 0.052 0.000 0.692 871 G HN 0.362 nan 8.290 nan 0.000 0.492 872 K N 2.321 122.755 120.400 0.057 0.000 2.423 872 K HA 0.503 4.824 4.320 0.001 0.000 0.234 872 K C 1.096 177.724 176.600 0.046 0.000 1.051 872 K CA 0.228 56.547 56.287 0.054 0.000 1.021 872 K CB 0.578 33.115 32.500 0.063 0.000 1.474 872 K HN 0.507 nan 8.250 nan 0.000 0.474 873 S N 2.288 118.015 115.700 0.044 0.000 2.536 873 S HA -0.111 4.360 4.470 0.001 0.000 0.290 873 S C 1.460 176.085 174.600 0.042 0.000 1.302 873 S CA -0.107 58.120 58.200 0.045 0.000 1.037 873 S CB 0.381 63.607 63.200 0.044 0.000 0.804 873 S HN 0.591 nan 8.310 nan 0.000 0.506 874 L N 2.063 123.312 121.223 0.045 0.000 2.127 874 L HA -0.141 4.199 4.340 0.001 0.000 0.211 874 L C 3.024 179.914 176.870 0.034 0.000 1.089 874 L CA 1.600 56.463 54.840 0.040 0.000 0.757 874 L CB -1.276 40.808 42.059 0.042 0.000 0.899 874 L HN 0.959 nan 8.230 nan 0.000 0.434 875 A N 0.132 122.973 122.820 0.036 0.000 1.851 875 A HA -0.262 4.059 4.320 0.001 0.000 0.216 875 A C 2.185 179.784 177.584 0.025 0.000 1.195 875 A CA 1.898 53.952 52.037 0.029 0.000 0.622 875 A CB -0.598 18.421 19.000 0.031 0.000 0.831 875 A HN 0.416 nan 8.150 nan 0.000 0.444 876 E N -0.518 119.698 120.200 0.027 0.000 2.130 876 E HA -0.249 4.101 4.350 0.001 0.000 0.196 876 E C 2.352 178.966 176.600 0.024 0.000 0.998 876 E CA 1.555 57.969 56.400 0.024 0.000 0.806 876 E CB -0.152 29.565 29.700 0.029 0.000 0.738 876 E HN 0.744 nan 8.360 nan 0.000 0.459 877 Q N -1.166 118.650 119.800 0.027 0.000 2.083 877 Q HA -0.022 4.318 4.340 0.001 0.000 0.198 877 Q C 1.259 177.270 176.000 0.019 0.000 0.969 877 Q CA 0.909 56.727 55.803 0.025 0.000 0.838 877 Q CB 0.352 29.108 28.738 0.031 0.000 0.900 877 Q HN 0.395 nan 8.270 nan 0.000 0.436 878 G N 0.519 109.330 108.800 0.018 0.000 2.164 878 G HA2 -0.181 3.779 3.960 0.001 0.000 0.212 878 G HA3 -0.181 3.779 3.960 0.001 0.000 0.212 878 G C -0.234 174.672 174.900 0.010 0.000 1.031 878 G CA -0.027 45.081 45.100 0.012 0.000 0.730 878 G HN 0.179 nan 8.290 nan 0.000 0.501 879 V N 1.414 121.336 119.914 0.014 0.000 2.276 879 V HA 0.525 4.646 4.120 0.001 0.000 0.268 879 V C 1.011 177.114 176.094 0.015 0.000 1.032 879 V CA 0.421 62.728 62.300 0.012 0.000 0.810 879 V CB 0.584 32.417 31.823 0.016 0.000 1.060 879 V HN 0.614 nan 8.190 nan 0.000 0.446 880 T N -0.972 113.588 114.554 0.011 0.000 2.964 880 T HA 0.262 4.612 4.350 0.001 0.000 0.249 880 T C 0.587 175.293 174.700 0.011 0.000 1.000 880 T CA -0.186 61.924 62.100 0.016 0.000 0.992 880 T CB 0.507 69.386 68.868 0.019 0.000 1.087 880 T HN 0.389 nan 8.240 nan 0.000 0.489 881 K N 2.547 122.947 120.400 0.001 0.000 2.159 881 K HA 0.410 4.730 4.320 0.001 0.000 0.266 881 K C -0.344 176.247 176.600 -0.014 0.000 0.975 881 K CA -0.434 55.849 56.287 -0.006 0.000 0.865 881 K CB 2.351 34.844 32.500 -0.012 0.000 1.087 881 K HN 0.410 nan 8.250 nan 0.000 0.446 882 E N 2.237 122.428 120.200 -0.015 0.000 2.414 882 E HA 0.046 4.396 4.350 0.001 0.000 0.263 882 E C -0.931 175.645 176.600 -0.040 0.000 1.000 882 E CA -0.318 56.068 56.400 -0.022 0.000 0.914 882 E CB 0.754 30.444 29.700 -0.017 0.000 0.948 882 E HN 0.168 nan 8.360 nan 0.000 0.444 883 V N 6.336 126.219 119.914 -0.052 0.000 2.394 883 V HA 0.257 4.377 4.120 0.001 0.000 0.282 883 V C -0.132 175.904 176.094 -0.097 0.000 1.031 883 V CA -0.713 61.540 62.300 -0.077 0.000 0.881 883 V CB 1.360 33.128 31.823 -0.091 0.000 0.982 883 V HN 0.614 nan 8.190 nan 0.000 0.451 884 I N 7.146 127.646 120.570 -0.116 0.000 2.382 884 I HA 0.455 4.625 4.170 0.001 0.000 0.285 884 I C -2.213 173.773 176.117 -0.218 0.000 1.007 884 I CA -2.751 58.461 61.300 -0.146 0.000 1.142 884 I CB 1.578 39.509 38.000 -0.116 0.000 1.289 884 I HN 0.445 nan 8.210 nan 0.000 0.453 885 P HA 0.334 nan 4.420 nan 0.000 0.274 885 P C -2.038 174.929 177.300 -0.555 0.000 1.237 885 P CA -1.137 61.634 63.100 -0.548 0.000 0.793 885 P CB 0.114 31.312 31.700 -0.837 0.000 0.977 886 P HA 0.007 nan 4.420 nan 0.000 0.231 886 P C -0.224 176.908 177.300 -0.280 0.000 1.168 886 P CA 1.029 63.922 63.100 -0.346 0.000 0.779 886 P CB -0.083 31.511 31.700 -0.176 0.000 0.844 887 Y N -2.506 117.750 120.300 -0.073 0.000 2.650 887 Y HA 0.654 5.205 4.550 0.001 0.000 0.331 887 Y C -0.457 175.385 175.900 -0.098 0.000 1.082 887 Y CA -2.714 55.366 58.100 -0.034 0.000 1.171 887 Y CB -0.131 38.347 38.460 0.030 0.000 1.326 887 Y HN -0.327 nan 8.280 nan 0.000 0.513 888 Y N 0.555 121.062 120.300 0.345 0.000 2.330 888 Y HA 0.576 5.126 4.550 0.001 0.000 0.336 888 Y C -0.335 175.738 175.900 0.288 0.000 1.036 888 Y CA -0.377 57.892 58.100 0.281 0.000 1.125 888 Y CB 1.839 40.447 38.460 0.247 0.000 1.194 888 Y HN 0.645 nan 8.280 nan 0.000 0.469 889 S N 2.940 118.910 115.700 0.450 0.000 2.519 889 S HA 0.665 5.135 4.470 0.001 0.000 0.309 889 S C -1.002 173.873 174.600 0.459 0.000 1.100 889 S CA -0.777 57.629 58.200 0.343 0.000 1.059 889 S CB 1.252 64.556 63.200 0.174 0.000 1.008 889 S HN 0.317 nan 8.310 nan 0.000 0.478 890 V N 3.663 123.771 119.914 0.323 0.000 2.555 890 V HA 0.532 4.653 4.120 0.001 0.000 0.302 890 V C -0.065 176.074 176.094 0.074 0.000 1.038 890 V CA -0.816 61.607 62.300 0.205 0.000 0.887 890 V CB 1.849 33.660 31.823 -0.021 0.000 0.991 890 V HN 0.759 nan 8.190 nan 0.000 0.434 891 K N 3.331 123.640 120.400 -0.152 0.000 2.244 891 K HA 0.655 4.975 4.320 0.001 0.000 0.260 891 K C -0.976 175.457 176.600 -0.279 0.000 0.951 891 K CA -0.373 55.675 56.287 -0.398 0.000 0.826 891 K CB 2.091 33.998 32.500 -0.987 0.000 1.108 891 K HN 0.798 nan 8.250 nan 0.000 0.433 892 E N 2.551 122.598 120.200 -0.256 0.000 2.359 892 E HA 0.390 4.740 4.350 0.001 0.000 0.266 892 E C -1.253 175.243 176.600 -0.174 0.000 0.920 892 E CA -0.871 55.399 56.400 -0.217 0.000 0.788 892 E CB 1.751 31.280 29.700 -0.285 0.000 1.279 892 E HN 0.379 nan 8.360 nan 0.000 0.438 893 V N 0.141 119.977 119.914 -0.130 0.000 3.177 893 V HA 0.883 5.003 4.120 0.001 0.000 0.319 893 V C -0.360 175.680 176.094 -0.090 0.000 1.125 893 V CA -0.473 61.761 62.300 -0.110 0.000 1.029 893 V CB 1.510 33.277 31.823 -0.093 0.000 1.119 893 V HN 0.682 nan 8.190 nan 0.000 0.452 894 V N 0.136 119.998 119.914 -0.086 0.000 2.531 894 V HA 0.771 4.891 4.120 0.001 0.000 0.301 894 V C -0.794 175.238 176.094 -0.103 0.000 1.034 894 V CA -0.544 61.709 62.300 -0.079 0.000 0.865 894 V CB 0.971 32.753 31.823 -0.069 0.000 0.995 894 V HN 0.876 nan 8.190 nan 0.000 0.424 895 L N 5.964 127.110 121.223 -0.129 0.000 2.334 895 L HA 0.685 5.025 4.340 0.001 0.000 0.273 895 L C -1.669 175.035 176.870 -0.277 0.000 1.013 895 L CA -1.462 53.215 54.840 -0.271 0.000 0.816 895 L CB 2.773 44.575 42.059 -0.427 0.000 1.278 895 L HN 0.477 nan 8.230 nan 0.000 0.431 896 P HA 0.085 nan 4.420 nan 0.000 0.257 896 P C 1.128 178.310 177.300 -0.196 0.000 1.325 896 P CA 0.056 62.999 63.100 -0.261 0.000 0.850 896 P CB 0.083 31.660 31.700 -0.205 0.000 1.324 897 F N 2.663 122.650 119.950 0.061 0.000 2.147 897 F HA -0.224 4.303 4.527 0.000 0.000 0.301 897 F C 2.177 177.979 175.800 0.003 0.000 1.084 897 F CA 1.508 59.568 58.000 0.100 0.000 1.268 897 F CB -1.752 37.336 39.000 0.146 0.000 1.009 897 F HN 0.140 nan 8.300 nan 0.000 0.486 898 N N 0.472 119.236 118.700 0.108 0.000 2.453 898 N HA -0.169 4.571 4.740 0.001 0.000 0.183 898 N C 1.255 176.675 175.510 -0.149 0.000 1.041 898 N CA 0.988 54.035 53.050 -0.005 0.000 0.900 898 N CB -0.407 38.071 38.487 -0.016 0.000 0.961 898 N HN 0.212 nan 8.380 nan 0.000 0.443 899 K N -0.034 120.153 120.400 -0.355 0.000 2.305 899 K HA 0.084 4.404 4.320 0.001 0.000 0.199 899 K C -0.226 175.927 176.600 -0.744 0.000 1.047 899 K CA 0.326 56.195 56.287 -0.697 0.000 0.976 899 K CB 0.056 31.839 32.500 -1.195 0.000 0.765 899 K HN 0.280 nan 8.250 nan 0.000 0.474 900 F N 0.922 120.847 119.950 -0.042 0.000 2.660 900 F HA 0.296 4.823 4.527 0.001 0.000 0.352 900 F C -1.855 173.980 175.800 0.059 0.000 1.257 900 F CA -2.504 55.499 58.000 0.006 0.000 1.200 900 F CB 1.305 40.284 39.000 -0.036 0.000 1.473 900 F HN -0.178 nan 8.300 nan 0.000 0.561 901 P HA -0.176 nan 4.420 nan 0.000 0.217 901 P C 1.873 179.232 177.300 0.097 0.000 1.151 901 P CA 1.642 64.798 63.100 0.093 0.000 0.849 901 P CB 0.190 31.912 31.700 0.037 0.000 0.787 902 G N -0.808 108.067 108.800 0.125 0.000 2.708 902 G HA2 -0.015 3.945 3.960 0.001 0.000 0.210 902 G HA3 -0.015 3.945 3.960 0.001 0.000 0.210 902 G C 0.459 175.421 174.900 0.104 0.000 1.141 902 G CA 0.105 45.262 45.100 0.095 0.000 0.788 902 G HN 0.217 nan 8.290 nan 0.000 0.531 903 V N 0.416 120.422 119.914 0.154 0.000 2.617 903 V HA 0.242 4.363 4.120 0.001 0.000 0.298 903 V C -0.425 175.685 176.094 0.027 0.000 1.048 903 V CA -1.020 61.374 62.300 0.158 0.000 0.964 903 V CB 1.936 33.966 31.823 0.345 0.000 1.004 903 V HN 0.146 nan 8.190 nan 0.000 0.466 904 D N 5.296 125.678 120.400 -0.029 0.000 2.339 904 D HA 0.258 4.899 4.640 0.001 0.000 0.241 904 D C -2.079 174.001 176.300 -0.367 0.000 1.183 904 D CA -2.075 51.840 54.000 -0.142 0.000 0.859 904 D CB 1.503 42.252 40.800 -0.085 0.000 1.067 904 D HN 0.235 nan 8.370 nan 0.000 0.484 905 P HA 0.098 nan 4.420 nan 0.000 0.249 905 P C -0.485 176.391 177.300 -0.706 0.000 1.686 905 P CA -0.392 61.978 63.100 -1.218 0.000 0.873 905 P CB -0.222 31.155 31.700 -0.538 0.000 1.828 906 L N 0.174 121.116 121.223 -0.467 0.000 2.375 906 L HA 0.381 4.721 4.340 0.001 0.000 0.268 906 L C -0.221 176.680 176.870 0.051 0.000 1.058 906 L CA -0.885 53.887 54.840 -0.114 0.000 0.803 906 L CB 0.758 42.772 42.059 -0.076 0.000 1.212 906 L HN -0.054 nan 8.230 nan 0.000 0.451 907 L N 2.386 123.675 121.223 0.111 0.000 2.334 907 L HA 0.842 5.182 4.340 0.001 0.000 0.275 907 L C 0.364 177.298 176.870 0.107 0.000 1.036 907 L CA -0.234 54.700 54.840 0.157 0.000 0.807 907 L CB 1.492 43.639 42.059 0.147 0.000 1.231 907 L HN 0.784 nan 8.230 nan 0.000 0.438 908 G N 0.886 109.750 108.800 0.108 0.000 2.650 908 G HA2 0.351 4.311 3.960 0.001 0.000 0.310 908 G HA3 0.351 4.311 3.960 0.001 0.000 0.310 908 G C -2.649 172.305 174.900 0.089 0.000 1.270 908 G CA -0.329 44.812 45.100 0.069 0.000 0.810 908 G HN 0.300 nan 8.290 nan 0.000 0.493 909 P HA 0.020 nan 4.420 nan 0.000 0.222 909 P C 0.389 177.775 177.300 0.144 0.000 1.147 909 P CA 1.035 64.184 63.100 0.082 0.000 0.790 909 P CB 0.384 32.089 31.700 0.008 0.000 0.780 910 E N -0.459 119.773 120.200 0.053 0.000 2.191 910 E HA 0.348 4.698 4.350 0.001 0.000 0.278 910 E C -0.395 176.143 176.600 -0.103 0.000 0.972 910 E CA -0.897 55.487 56.400 -0.028 0.000 0.804 910 E CB 0.823 30.466 29.700 -0.094 0.000 1.110 910 E HN -0.143 nan 8.360 nan 0.000 0.394 911 M N 4.180 123.578 119.600 -0.337 0.000 2.217 911 M HA 0.210 4.691 4.480 0.001 0.000 0.354 911 M C 0.151 176.319 176.300 -0.220 0.000 1.225 911 M CA 0.294 55.388 55.300 -0.343 0.000 1.137 911 M CB 0.504 32.713 32.600 -0.652 0.000 1.576 911 M HN 0.570 nan 8.290 nan 0.000 0.461 912 R N 0.862 121.285 120.500 -0.129 0.000 2.556 912 R HA 0.194 4.534 4.340 0.001 0.000 0.276 912 R C -0.035 176.249 176.300 -0.027 0.000 0.931 912 R CA 0.142 56.190 56.100 -0.087 0.000 1.061 912 R CB 0.632 30.907 30.300 -0.041 0.000 1.432 912 R HN 0.841 nan 8.270 nan 0.000 0.547 913 S N -0.606 115.045 115.700 -0.082 0.000 2.576 913 S HA 0.026 4.496 4.470 0.001 0.000 0.272 913 S C 1.191 175.761 174.600 -0.050 0.000 1.352 913 S CA 0.242 58.390 58.200 -0.086 0.000 1.021 913 S CB 1.408 64.556 63.200 -0.086 0.000 0.887 913 S HN 0.331 nan 8.310 nan 0.000 0.542 914 T N -1.436 113.085 114.554 -0.055 0.000 3.018 914 T HA 0.486 4.837 4.350 0.001 0.000 0.246 914 T C 0.828 175.501 174.700 -0.045 0.000 1.026 914 T CA 0.289 62.367 62.100 -0.036 0.000 1.081 914 T CB -0.228 68.617 68.868 -0.039 0.000 0.970 914 T HN 1.010 nan 8.240 nan 0.000 0.475 915 G N 0.560 109.324 108.800 -0.060 0.000 2.870 915 G HA2 0.662 4.622 3.960 0.001 0.000 0.299 915 G HA3 0.662 4.622 3.960 0.001 0.000 0.299 915 G C -1.977 172.873 174.900 -0.084 0.000 1.324 915 G CA -0.881 44.182 45.100 -0.063 0.000 0.808 915 G HN 0.580 nan 8.290 nan 0.000 0.535 916 E N -2.167 117.980 120.200 -0.088 0.000 2.423 916 E HA 0.603 4.954 4.350 0.001 0.000 0.280 916 E C -1.254 175.289 176.600 -0.095 0.000 1.030 916 E CA -1.072 55.260 56.400 -0.113 0.000 0.812 916 E CB 2.085 31.693 29.700 -0.154 0.000 1.313 916 E HN 1.044 nan 8.360 nan 0.000 0.456 917 V N -1.601 118.246 119.914 -0.110 0.000 3.001 917 V HA 0.771 4.891 4.120 0.001 0.000 0.314 917 V C -0.543 175.505 176.094 -0.077 0.000 1.099 917 V CA -1.045 61.203 62.300 -0.087 0.000 0.989 917 V CB 1.827 33.591 31.823 -0.098 0.000 1.040 917 V HN 0.913 nan 8.190 nan 0.000 0.434 918 M N 2.555 122.142 119.600 -0.022 0.000 2.395 918 M HA 0.832 5.313 4.480 0.001 0.000 0.307 918 M C -0.331 175.968 176.300 -0.002 0.000 1.091 918 M CA -0.247 55.085 55.300 0.054 0.000 0.919 918 M CB 1.889 34.602 32.600 0.189 0.000 1.662 918 M HN 1.146 nan 8.290 nan 0.000 0.440 919 G N 3.318 112.114 108.800 -0.007 0.000 2.470 919 G HA2 0.631 4.592 3.960 0.001 0.000 0.320 919 G HA3 0.631 4.592 3.960 0.001 0.000 0.320 919 G C -1.614 173.286 174.900 0.000 0.000 1.245 919 G CA -0.486 44.582 45.100 -0.054 0.000 0.935 919 G HN 0.595 nan 8.290 nan 0.000 0.476 920 V N 1.473 121.369 119.914 -0.030 0.000 2.384 920 V HA 0.868 4.988 4.120 0.001 0.000 0.287 920 V C 0.639 176.736 176.094 0.006 0.000 1.020 920 V CA -0.160 62.121 62.300 -0.032 0.000 0.850 920 V CB 1.223 32.944 31.823 -0.169 0.000 0.987 920 V HN 1.046 nan 8.190 nan 0.000 0.436 921 G N 3.315 112.183 108.800 0.113 0.000 2.660 921 G HA2 0.526 4.486 3.960 0.001 0.000 0.294 921 G HA3 0.526 4.486 3.960 0.001 0.000 0.294 921 G C 0.017 175.062 174.900 0.243 0.000 1.369 921 G CA -0.740 44.437 45.100 0.128 0.000 0.912 921 G HN 0.547 nan 8.290 nan 0.000 0.479 922 R N -1.002 119.609 120.500 0.186 0.000 2.115 922 R HA 0.089 4.430 4.340 0.001 0.000 0.226 922 R C 1.134 177.613 176.300 0.298 0.000 1.100 922 R CA 1.553 57.779 56.100 0.211 0.000 0.980 922 R CB -0.026 30.354 30.300 0.134 0.000 0.875 922 R HN 0.647 nan 8.270 nan 0.000 0.445 923 T N -4.155 110.547 114.554 0.247 0.000 2.916 923 T HA 0.211 4.562 4.350 0.001 0.000 0.292 923 T C 0.366 175.090 174.700 0.040 0.000 1.064 923 T CA -0.896 61.324 62.100 0.201 0.000 1.011 923 T CB 1.365 70.298 68.868 0.108 0.000 1.152 923 T HN 0.014 nan 8.240 nan 0.000 0.510 924 F N 1.602 121.279 119.950 -0.453 0.000 2.134 924 F HA 0.113 4.640 4.527 0.001 0.000 0.299 924 F C 2.495 178.199 175.800 -0.160 0.000 1.097 924 F CA 1.757 59.444 58.000 -0.522 0.000 1.264 924 F CB -0.825 37.762 39.000 -0.689 0.000 1.001 924 F HN 0.759 nan 8.300 nan 0.000 0.479 925 A N -0.016 122.763 122.820 -0.068 0.000 1.908 925 A HA -0.268 4.052 4.320 0.001 0.000 0.218 925 A C 2.256 179.776 177.584 -0.107 0.000 1.181 925 A CA 1.965 53.954 52.037 -0.080 0.000 0.627 925 A CB -1.016 17.998 19.000 0.023 0.000 0.818 925 A HN 0.620 nan 8.150 nan 0.000 0.445 926 E N -0.367 119.793 120.200 -0.067 0.000 2.112 926 E HA -0.003 4.348 4.350 0.001 0.000 0.190 926 E C 2.127 178.673 176.600 -0.090 0.000 0.979 926 E CA 0.815 57.183 56.400 -0.055 0.000 0.814 926 E CB -0.247 29.451 29.700 -0.002 0.000 0.762 926 E HN 0.512 nan 8.360 nan 0.000 0.460 927 A N 0.854 123.614 122.820 -0.099 0.000 1.865 927 A HA -0.194 4.126 4.320 0.001 0.000 0.217 927 A C 2.021 179.467 177.584 -0.230 0.000 1.191 927 A CA 1.393 53.369 52.037 -0.103 0.000 0.623 927 A CB -1.085 17.905 19.000 -0.017 0.000 0.826 927 A HN 0.484 nan 8.150 nan 0.000 0.444 928 F N 0.723 120.330 119.950 -0.571 0.000 2.126 928 F HA -0.149 4.378 4.527 0.001 0.000 0.299 928 F C 2.582 178.176 175.800 -0.344 0.000 1.096 928 F CA 1.316 58.958 58.000 -0.598 0.000 1.255 928 F CB -0.240 38.194 39.000 -0.942 0.000 0.997 928 F HN 0.254 nan 8.300 nan 0.000 0.479 929 A N -0.450 122.272 122.820 -0.163 0.000 1.969 929 A HA -0.175 4.145 4.320 0.001 0.000 0.218 929 A C 2.186 179.636 177.584 -0.223 0.000 1.169 929 A CA 1.669 53.607 52.037 -0.166 0.000 0.635 929 A CB -0.522 18.412 19.000 -0.111 0.000 0.810 929 A HN 0.412 nan 8.150 nan 0.000 0.445 930 K N -0.304 119.971 120.400 -0.208 0.000 2.031 930 K HA 0.048 4.368 4.320 0.001 0.000 0.205 930 K C 2.323 178.789 176.600 -0.222 0.000 1.049 930 K CA 1.034 57.211 56.287 -0.183 0.000 0.939 930 K CB -0.297 32.124 32.500 -0.131 0.000 0.717 930 K HN 0.402 nan 8.250 nan 0.000 0.438 931 A N 1.263 123.903 122.820 -0.299 0.000 1.902 931 A HA -0.268 4.052 4.320 0.001 0.000 0.217 931 A C 2.143 179.498 177.584 -0.383 0.000 1.181 931 A CA 1.639 53.472 52.037 -0.339 0.000 0.623 931 A CB -0.560 18.180 19.000 -0.435 0.000 0.818 931 A HN 0.381 nan 8.150 nan 0.000 0.443 932 Q N -0.955 118.545 119.800 -0.500 0.000 2.050 932 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 932 Q C 2.009 177.869 176.000 -0.234 0.000 0.980 932 Q CA 1.711 57.277 55.803 -0.395 0.000 0.840 932 Q CB -0.241 28.243 28.738 -0.424 0.000 0.898 932 Q HN 0.544 nan 8.270 nan 0.000 0.424 933 L N 0.351 121.446 121.223 -0.213 0.000 2.046 933 L HA -0.013 4.327 4.340 0.001 0.000 0.208 933 L C 2.117 178.921 176.870 -0.110 0.000 1.077 933 L CA 2.331 57.076 54.840 -0.158 0.000 0.747 933 L CB -0.987 40.960 42.059 -0.188 0.000 0.896 933 L HN 0.295 nan 8.230 nan 0.000 0.432 934 G N -1.150 107.573 108.800 -0.129 0.000 2.446 934 G HA2 -0.352 3.608 3.960 0.001 0.000 0.217 934 G HA3 -0.352 3.608 3.960 0.001 0.000 0.217 934 G C 1.586 176.434 174.900 -0.086 0.000 1.168 934 G CA 1.059 46.100 45.100 -0.097 0.000 0.771 934 G HN 0.591 nan 8.290 nan 0.000 0.551 935 S N 0.009 115.641 115.700 -0.113 0.000 2.584 935 S HA -0.097 4.374 4.470 0.001 0.000 0.240 935 S C 1.234 175.808 174.600 -0.043 0.000 0.975 935 S CA 1.159 59.307 58.200 -0.087 0.000 0.949 935 S CB -0.697 62.438 63.200 -0.108 0.000 0.761 935 S HN 0.648 nan 8.310 nan 0.000 0.536 936 N N 0.354 119.035 118.700 -0.032 0.000 2.776 936 N HA -0.204 4.537 4.740 0.001 0.000 0.250 936 N C -0.126 175.403 175.510 0.032 0.000 1.112 936 N CA 0.530 53.582 53.050 0.004 0.000 0.733 936 N CB -1.679 36.813 38.487 0.008 0.000 1.097 936 N HN 0.714 nan 8.380 nan 0.000 0.558 937 S N -0.666 115.048 115.700 0.023 0.000 2.584 937 S HA 0.220 4.690 4.470 0.001 0.000 0.270 937 S C 1.538 176.184 174.600 0.077 0.000 1.346 937 S CA 0.760 59.021 58.200 0.103 0.000 1.018 937 S CB 1.327 64.568 63.200 0.068 0.000 0.899 937 S HN 0.284 nan 8.310 nan 0.000 0.542 938 T N 1.181 115.833 114.554 0.163 0.000 3.086 938 T HA 0.208 4.559 4.350 0.001 0.000 0.250 938 T C 0.662 175.425 174.700 0.104 0.000 1.074 938 T CA -0.435 61.745 62.100 0.135 0.000 0.988 938 T CB -0.359 68.620 68.868 0.186 0.000 0.988 938 T HN 0.573 nan 8.240 nan 0.000 0.530 939 M N 3.164 122.782 119.600 0.030 0.000 2.243 939 M HA 0.128 4.608 4.480 0.001 0.000 0.365 939 M C -0.189 176.082 176.300 -0.049 0.000 1.327 939 M CA -0.094 55.173 55.300 -0.056 0.000 0.918 939 M CB -0.055 32.309 32.600 -0.393 0.000 1.894 939 M HN -0.004 nan 8.290 nan 0.000 0.473 940 K N 4.588 124.982 120.400 -0.010 0.000 2.238 940 K HA 0.357 4.677 4.320 0.001 0.000 0.239 940 K C 0.158 176.705 176.600 -0.088 0.000 0.987 940 K CA -0.718 55.488 56.287 -0.134 0.000 0.857 940 K CB 1.161 33.468 32.500 -0.322 0.000 1.154 940 K HN 0.588 nan 8.250 nan 0.000 0.439 941 K N 1.363 121.644 120.400 -0.199 0.000 2.458 941 K HA 0.024 4.344 4.320 0.001 0.000 0.194 941 K C 0.552 177.058 176.600 -0.157 0.000 1.024 941 K CA 0.367 56.630 56.287 -0.040 0.000 1.108 941 K CB 0.095 32.598 32.500 0.005 0.000 0.846 941 K HN 0.649 nan 8.250 nan 0.000 0.518 942 H N -2.863 115.989 119.070 -0.363 0.000 2.950 942 H HA 0.524 5.080 4.556 0.001 0.000 0.272 942 H C 0.198 175.012 175.328 -0.856 0.000 1.495 942 H CA -0.344 55.187 56.048 -0.862 0.000 1.183 942 H CB 0.965 30.494 29.762 -0.388 0.000 1.867 942 H HN 0.057 nan 8.280 nan 0.000 0.597 943 G N 0.550 109.128 108.800 -0.370 0.000 2.416 943 G HA2 -0.102 3.858 3.960 0.001 0.000 0.203 943 G HA3 -0.102 3.858 3.960 0.001 0.000 0.203 943 G C -1.136 173.796 174.900 0.052 0.000 1.227 943 G CA -0.308 44.773 45.100 -0.032 0.000 1.041 943 G HN 0.811 nan 8.290 nan 0.000 0.546 944 R N 0.340 121.003 120.500 0.272 0.000 2.387 944 R HA 0.694 5.035 4.340 0.001 0.000 0.314 944 R C 0.119 176.766 176.300 0.579 0.000 0.958 944 R CA 0.144 56.481 56.100 0.396 0.000 0.846 944 R CB 1.210 31.670 30.300 0.266 0.000 1.147 944 R HN 1.360 nan 8.270 nan 0.000 0.447 945 A N 4.516 127.643 122.820 0.510 0.000 2.317 945 A HA 0.478 4.799 4.320 0.001 0.000 0.327 945 A C -1.368 176.238 177.584 0.038 0.000 1.178 945 A CA -0.703 51.501 52.037 0.279 0.000 0.817 945 A CB 1.151 20.261 19.000 0.185 0.000 1.189 945 A HN 0.614 nan 8.150 nan 0.000 0.489 946 L N 2.757 123.799 121.223 -0.302 0.000 2.307 946 L HA 0.769 5.109 4.340 0.001 0.000 0.284 946 L C -1.447 175.217 176.870 -0.343 0.000 1.023 946 L CA -0.342 54.204 54.840 -0.491 0.000 0.810 946 L CB 1.178 42.598 42.059 -1.066 0.000 1.231 946 L HN 0.516 nan 8.230 nan 0.000 0.423 947 L N 4.327 125.419 121.223 -0.219 0.000 2.362 947 L HA 0.700 5.041 4.340 0.001 0.000 0.275 947 L C -0.250 176.543 176.870 -0.129 0.000 0.998 947 L CA 0.008 54.748 54.840 -0.166 0.000 0.820 947 L CB 1.918 43.917 42.059 -0.100 0.000 1.270 947 L HN 0.669 nan 8.230 nan 0.000 0.415 948 S N 2.334 117.961 115.700 -0.121 0.000 2.397 948 S HA 0.562 5.032 4.470 0.001 0.000 0.190 948 S C -0.786 173.775 174.600 -0.064 0.000 1.100 948 S CA -0.529 57.621 58.200 -0.083 0.000 1.150 948 S CB 0.401 63.542 63.200 -0.099 0.000 1.302 948 S HN 0.450 nan 8.310 nan 0.000 0.417 949 V N 2.807 122.698 119.914 -0.039 0.000 3.193 949 V HA 0.866 4.987 4.120 0.001 0.000 0.320 949 V C -0.091 176.001 176.094 -0.004 0.000 1.112 949 V CA -1.283 61.004 62.300 -0.021 0.000 1.026 949 V CB 1.287 33.102 31.823 -0.013 0.000 1.128 949 V HN 0.828 nan 8.190 nan 0.000 0.452 950 R N -0.118 120.387 120.500 0.007 0.000 2.549 950 R HA 0.529 4.870 4.340 0.001 0.000 0.267 950 R C 0.940 177.254 176.300 0.024 0.000 1.045 950 R CA -0.464 55.643 56.100 0.013 0.000 1.115 950 R CB 0.342 30.650 30.300 0.015 0.000 1.121 950 R HN 0.658 nan 8.270 nan 0.000 0.543 951 E N 1.327 121.541 120.200 0.024 0.000 2.082 951 E HA -0.247 4.103 4.350 0.001 0.000 0.215 951 E C 1.930 178.553 176.600 0.039 0.000 1.048 951 E CA 2.555 58.973 56.400 0.030 0.000 0.869 951 E CB -0.788 28.928 29.700 0.027 0.000 0.773 951 E HN 0.919 nan 8.360 nan 0.000 0.466 952 G N 1.070 109.898 108.800 0.046 0.000 2.442 952 G HA2 -0.240 3.720 3.960 0.001 0.000 0.219 952 G HA3 -0.240 3.720 3.960 0.001 0.000 0.219 952 G C 1.069 176.003 174.900 0.058 0.000 1.141 952 G CA 0.998 46.130 45.100 0.054 0.000 0.763 952 G HN 0.209 nan 8.290 nan 0.000 0.554 953 D N 0.126 120.562 120.400 0.059 0.000 2.363 953 D HA 0.030 4.670 4.640 0.001 0.000 0.226 953 D C 2.107 178.444 176.300 0.061 0.000 1.020 953 D CA 0.359 54.400 54.000 0.069 0.000 0.892 953 D CB 0.097 40.935 40.800 0.064 0.000 0.900 953 D HN 0.243 nan 8.370 nan 0.000 0.531 954 K N 0.592 121.022 120.400 0.050 0.000 2.209 954 K HA -0.111 4.209 4.320 0.001 0.000 0.204 954 K C 1.903 178.533 176.600 0.050 0.000 1.048 954 K CA 0.752 57.065 56.287 0.043 0.000 0.940 954 K CB 0.216 32.739 32.500 0.038 0.000 0.729 954 K HN 0.157 nan 8.250 nan 0.000 0.451 955 E N -0.019 120.216 120.200 0.058 0.000 2.033 955 E HA -0.087 4.263 4.350 0.001 0.000 0.189 955 E C 1.891 178.543 176.600 0.087 0.000 0.979 955 E CA 0.803 57.239 56.400 0.060 0.000 0.802 955 E CB 0.198 29.928 29.700 0.050 0.000 0.763 955 E HN 0.201 nan 8.360 nan 0.000 0.449 956 R N 0.248 120.822 120.500 0.122 0.000 2.148 956 R HA -0.039 4.301 4.340 0.001 0.000 0.223 956 R C 2.349 178.787 176.300 0.230 0.000 1.088 956 R CA 0.422 56.657 56.100 0.225 0.000 0.985 956 R CB -0.258 30.234 30.300 0.320 0.000 0.880 956 R HN 0.078 nan 8.270 nan 0.000 0.451 957 V N 1.017 120.996 119.914 0.109 0.000 2.688 957 V HA -0.205 3.915 4.120 0.001 0.000 0.256 957 V C 2.005 178.112 176.094 0.021 0.000 1.084 957 V CA 1.439 63.751 62.300 0.021 0.000 1.103 957 V CB -0.062 31.762 31.823 0.001 0.000 0.688 957 V HN 0.111 nan 8.190 nan 0.000 0.480 958 V N 0.205 120.158 119.914 0.064 0.000 2.237 958 V HA -0.239 3.881 4.120 0.001 0.000 0.245 958 V C 2.386 178.523 176.094 0.072 0.000 1.046 958 V CA 2.482 64.815 62.300 0.055 0.000 1.007 958 V CB -0.792 31.065 31.823 0.056 0.000 0.638 958 V HN 0.673 nan 8.190 nan 0.000 0.445 959 D N -0.132 120.352 120.400 0.139 0.000 2.149 959 D HA -0.192 4.448 4.640 0.001 0.000 0.198 959 D C 1.942 178.337 176.300 0.158 0.000 0.990 959 D CA 1.348 55.462 54.000 0.190 0.000 0.839 959 D CB -0.199 40.774 40.800 0.288 0.000 0.948 959 D HN 0.300 nan 8.370 nan 0.000 0.460 960 L N 0.332 121.568 121.223 0.023 0.000 2.046 960 L HA 0.011 4.352 4.340 0.001 0.000 0.208 960 L C 2.173 178.966 176.870 -0.128 0.000 1.077 960 L CA 2.109 56.770 54.840 -0.297 0.000 0.747 960 L CB -0.976 40.670 42.059 -0.689 0.000 0.896 960 L HN 0.055 nan 8.230 nan 0.000 0.432 961 A N -0.399 122.386 122.820 -0.059 0.000 1.933 961 A HA -0.116 4.205 4.320 0.001 0.000 0.218 961 A C 2.465 180.055 177.584 0.011 0.000 1.175 961 A CA 1.825 53.849 52.037 -0.021 0.000 0.628 961 A CB -1.162 17.837 19.000 -0.001 0.000 0.814 961 A HN 0.591 nan 8.150 nan 0.000 0.444 962 A N -0.235 122.603 122.820 0.030 0.000 1.877 962 A HA -0.169 4.151 4.320 0.001 0.000 0.216 962 A C 2.104 179.718 177.584 0.050 0.000 1.186 962 A CA 1.900 53.965 52.037 0.048 0.000 0.620 962 A CB -0.460 18.575 19.000 0.058 0.000 0.822 962 A HN 0.533 nan 8.150 nan 0.000 0.443 963 K N -0.459 119.967 120.400 0.043 0.000 2.032 963 K HA -0.100 4.220 4.320 0.001 0.000 0.209 963 K C 1.827 178.442 176.600 0.025 0.000 1.048 963 K CA 1.598 57.908 56.287 0.039 0.000 0.927 963 K CB -0.407 32.116 32.500 0.038 0.000 0.712 963 K HN 0.477 nan 8.250 nan 0.000 0.441 964 L N 0.640 121.853 121.223 -0.017 0.000 2.093 964 L HA -0.187 4.154 4.340 0.001 0.000 0.208 964 L C 2.256 179.235 176.870 0.182 0.000 1.085 964 L CA 0.939 55.770 54.840 -0.014 0.000 0.755 964 L CB -0.318 41.664 42.059 -0.127 0.000 0.904 964 L HN 0.177 nan 8.230 nan 0.000 0.435 965 L N -0.499 120.802 121.223 0.130 0.000 2.005 965 L HA -0.213 4.127 4.340 0.001 0.000 0.207 965 L C 2.721 179.668 176.870 0.129 0.000 1.072 965 L CA 1.247 56.173 54.840 0.143 0.000 0.744 965 L CB -0.465 41.650 42.059 0.093 0.000 0.895 965 L HN 0.188 nan 8.230 nan 0.000 0.433 966 K N -0.125 120.334 120.400 0.098 0.000 2.127 966 K HA -0.310 4.010 4.320 0.001 0.000 0.208 966 K C 2.137 178.799 176.600 0.103 0.000 1.047 966 K CA 1.864 58.201 56.287 0.083 0.000 0.927 966 K CB -0.033 32.508 32.500 0.068 0.000 0.716 966 K HN 0.112 nan 8.250 nan 0.000 0.450 967 Q N -0.546 119.344 119.800 0.150 0.000 2.437 967 Q HA -0.071 4.269 4.340 0.001 0.000 0.210 967 Q C 0.798 176.923 176.000 0.208 0.000 0.972 967 Q CA 1.432 57.361 55.803 0.210 0.000 0.903 967 Q CB 0.099 29.019 28.738 0.304 0.000 0.967 967 Q HN 0.541 nan 8.270 nan 0.000 0.486 968 G N -1.994 106.911 108.800 0.175 0.000 2.163 968 G HA2 -0.244 3.716 3.960 0.001 0.000 0.213 968 G HA3 -0.244 3.716 3.960 0.001 0.000 0.213 968 G C -0.158 174.754 174.900 0.019 0.000 0.991 968 G CA -0.066 45.075 45.100 0.068 0.000 0.653 968 G HN 0.241 nan 8.290 nan 0.000 0.518 969 F N 1.284 121.275 119.950 0.070 0.000 2.380 969 F HA 0.580 5.107 4.527 0.001 0.000 0.325 969 F C 1.062 176.911 175.800 0.082 0.000 1.136 969 F CA -0.129 57.925 58.000 0.090 0.000 1.171 969 F CB 0.790 39.845 39.000 0.092 0.000 1.230 969 F HN 0.039 nan 8.300 nan 0.000 0.554 970 E N 2.234 122.600 120.200 0.276 0.000 2.191 970 E HA 0.534 4.884 4.350 0.001 0.000 0.274 970 E C -1.224 175.515 176.600 0.232 0.000 0.948 970 E CA -0.686 55.830 56.400 0.193 0.000 0.802 970 E CB 1.866 31.641 29.700 0.125 0.000 1.137 970 E HN 0.378 nan 8.360 nan 0.000 0.397 971 L N 1.740 123.063 121.223 0.166 0.000 2.342 971 L HA 0.566 4.906 4.340 0.001 0.000 0.271 971 L C -0.588 176.360 176.870 0.131 0.000 1.008 971 L CA -0.969 53.962 54.840 0.150 0.000 0.818 971 L CB 1.584 43.701 42.059 0.096 0.000 1.296 971 L HN 0.396 nan 8.230 nan 0.000 0.427 972 D N 0.721 121.200 120.400 0.133 0.000 2.490 972 D HA 0.870 5.510 4.640 0.001 0.000 0.232 972 D C -0.979 175.338 176.300 0.029 0.000 1.053 972 D CA -0.147 53.925 54.000 0.120 0.000 0.914 972 D CB 2.425 43.378 40.800 0.255 0.000 1.431 972 D HN 0.772 nan 8.370 nan 0.000 0.483 973 A N 0.060 122.891 122.820 0.020 0.000 2.608 973 A HA 0.661 4.982 4.320 0.001 0.000 0.292 973 A C -0.465 177.117 177.584 -0.003 0.000 1.066 973 A CA -0.818 51.209 52.037 -0.016 0.000 0.676 973 A CB 0.923 19.913 19.000 -0.016 0.000 1.277 973 A HN 0.482 nan 8.150 nan 0.000 0.413 974 T N -1.590 112.958 114.554 -0.010 0.000 2.874 974 T HA 0.453 4.804 4.350 0.001 0.000 0.281 974 T C 1.149 175.882 174.700 0.055 0.000 0.994 974 T CA 0.719 62.830 62.100 0.017 0.000 1.015 974 T CB 0.581 69.449 68.868 0.000 0.000 1.028 974 T HN 0.876 nan 8.240 nan 0.000 0.523 975 H N 1.565 120.625 119.070 -0.015 0.000 2.384 975 H HA -0.250 4.306 4.556 0.001 0.000 0.283 975 H C 2.424 177.751 175.328 -0.001 0.000 1.093 975 H CA 2.716 58.761 56.048 -0.005 0.000 1.165 975 H CB -0.958 28.803 29.762 -0.002 0.000 1.430 975 H HN 0.848 nan 8.280 nan 0.000 0.602 976 G N -1.673 107.285 108.800 0.265 0.000 2.505 976 G HA2 -0.350 3.610 3.960 0.001 0.000 0.220 976 G HA3 -0.350 3.610 3.960 0.001 0.000 0.220 976 G C 1.714 176.662 174.900 0.080 0.000 1.145 976 G CA 1.631 46.834 45.100 0.172 0.000 0.761 976 G HN 0.533 nan 8.290 nan 0.000 0.571 977 T N 1.644 116.227 114.554 0.047 0.000 2.708 977 T HA 0.029 4.379 4.350 0.001 0.000 0.266 977 T C 2.838 177.541 174.700 0.004 0.000 1.037 977 T CA 1.642 63.752 62.100 0.016 0.000 1.146 977 T CB -0.494 68.372 68.868 -0.004 0.000 0.865 977 T HN 0.413 nan 8.240 nan 0.000 0.435 978 A N 1.783 124.597 122.820 -0.010 0.000 1.917 978 A HA -0.099 4.221 4.320 0.001 0.000 0.219 978 A C 2.295 179.851 177.584 -0.047 0.000 1.182 978 A CA 1.276 53.289 52.037 -0.040 0.000 0.633 978 A CB -0.828 18.125 19.000 -0.079 0.000 0.819 978 A HN 0.428 nan 8.150 nan 0.000 0.448 979 I N -0.050 120.490 120.570 -0.050 0.000 2.091 979 I HA -0.247 3.924 4.170 0.001 0.000 0.239 979 I C 2.501 178.617 176.117 -0.001 0.000 1.061 979 I CA 1.743 63.025 61.300 -0.030 0.000 1.317 979 I CB -1.272 36.742 38.000 0.024 0.000 1.031 979 I HN 0.186 nan 8.210 nan 0.000 0.401 980 V N 1.086 121.009 119.914 0.014 0.000 2.392 980 V HA -0.262 3.858 4.120 0.001 0.000 0.249 980 V C 2.568 178.670 176.094 0.014 0.000 1.059 980 V CA 1.517 63.828 62.300 0.019 0.000 1.051 980 V CB -0.613 31.225 31.823 0.025 0.000 0.658 980 V HN 0.345 nan 8.190 nan 0.000 0.455 981 L N 0.398 121.625 121.223 0.007 0.000 2.027 981 L HA -0.047 4.293 4.340 0.001 0.000 0.206 981 L C 2.730 179.604 176.870 0.006 0.000 1.074 981 L CA 1.712 56.557 54.840 0.008 0.000 0.745 981 L CB -1.253 40.809 42.059 0.005 0.000 0.898 981 L HN 0.458 nan 8.230 nan 0.000 0.433 982 G N -0.106 108.692 108.800 -0.004 0.000 2.476 982 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 982 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 982 G C 1.382 176.283 174.900 0.001 0.000 1.164 982 G CA 0.750 45.846 45.100 -0.007 0.000 0.768 982 G HN 0.437 nan 8.290 nan 0.000 0.560 983 E N 0.408 120.611 120.200 0.004 0.000 2.338 983 E HA 0.090 4.441 4.350 0.001 0.000 0.197 983 E C 2.544 179.152 176.600 0.013 0.000 1.007 983 E CA 0.510 56.916 56.400 0.009 0.000 0.849 983 E CB -0.042 29.666 29.700 0.013 0.000 0.774 983 E HN 0.459 nan 8.360 nan 0.000 0.506 984 A N 0.015 122.844 122.820 0.015 0.000 2.238 984 A HA 0.324 4.644 4.320 0.001 0.000 0.210 984 A C 1.688 179.283 177.584 0.018 0.000 1.179 984 A CA 0.710 52.758 52.037 0.019 0.000 0.827 984 A CB 0.115 19.129 19.000 0.024 0.000 0.856 984 A HN 0.303 nan 8.150 nan 0.000 0.488 985 G N -1.158 107.651 108.800 0.015 0.000 2.163 985 G HA2 -0.163 3.798 3.960 0.001 0.000 0.213 985 G HA3 -0.163 3.798 3.960 0.001 0.000 0.213 985 G C -0.033 174.877 174.900 0.017 0.000 0.991 985 G CA 0.069 45.178 45.100 0.015 0.000 0.653 985 G HN 0.398 nan 8.290 nan 0.000 0.518 986 I N 1.371 121.951 120.570 0.017 0.000 2.362 986 I HA 0.306 4.477 4.170 0.001 0.000 0.289 986 I C -0.174 175.952 176.117 0.014 0.000 0.994 986 I CA -0.612 60.700 61.300 0.020 0.000 1.158 986 I CB 1.450 39.465 38.000 0.024 0.000 1.315 986 I HN 0.094 nan 8.210 nan 0.000 0.451 987 N N 8.334 127.043 118.700 0.016 0.000 2.699 987 N HA 0.308 5.049 4.740 0.001 0.000 0.232 987 N C -2.369 173.151 175.510 0.017 0.000 1.027 987 N CA -1.367 51.689 53.050 0.010 0.000 0.920 987 N CB 0.890 39.381 38.487 0.007 0.000 1.148 987 N HN 0.373 nan 8.380 nan 0.000 0.509 988 P HA 0.038 nan 4.420 nan 0.000 0.273 988 P C -0.529 176.786 177.300 0.024 0.000 1.250 988 P CA -0.338 62.778 63.100 0.027 0.000 0.793 988 P CB 1.049 32.759 31.700 0.017 0.000 1.011 989 R N 1.178 121.703 120.500 0.043 0.000 2.234 989 R HA 0.311 4.652 4.340 0.001 0.000 0.324 989 R C -0.242 176.080 176.300 0.037 0.000 1.054 989 R CA -0.721 55.403 56.100 0.039 0.000 0.912 989 R CB -0.094 30.239 30.300 0.056 0.000 1.030 989 R HN 0.400 nan 8.270 nan 0.000 0.455 990 L N 5.360 126.591 121.223 0.015 0.000 2.453 990 L HA 0.223 4.563 4.340 0.001 0.000 0.272 990 L C -0.788 176.101 176.870 0.032 0.000 1.182 990 L CA 0.341 55.186 54.840 0.008 0.000 0.858 990 L CB 1.334 43.379 42.059 -0.024 0.000 1.120 990 L HN 0.513 nan 8.230 nan 0.000 0.474 991 V N 5.974 125.912 119.914 0.041 0.000 2.823 991 V HA 0.467 4.588 4.120 0.001 0.000 0.312 991 V C -0.443 175.677 176.094 0.043 0.000 1.072 991 V CA -0.729 61.607 62.300 0.060 0.000 0.937 991 V CB 2.268 34.159 31.823 0.112 0.000 1.013 991 V HN 0.943 nan 8.190 nan 0.000 0.430 992 N N 4.101 122.831 118.700 0.049 0.000 2.426 992 N HA 0.359 5.099 4.740 0.001 0.000 0.275 992 N C -0.484 175.036 175.510 0.016 0.000 1.019 992 N CA -0.627 52.438 53.050 0.026 0.000 0.941 992 N CB 1.232 39.736 38.487 0.029 0.000 1.123 992 N HN 0.614 nan 8.380 nan 0.000 0.486 993 K N 0.609 120.951 120.400 -0.097 0.000 2.185 993 K HA -0.006 4.314 4.320 0.001 0.000 0.245 993 K C 1.069 177.590 176.600 -0.132 0.000 1.035 993 K CA -0.381 55.787 56.287 -0.199 0.000 0.847 993 K CB 0.497 32.714 32.500 -0.472 0.000 1.056 993 K HN 0.235 nan 8.250 nan 0.000 0.518 994 V N 1.120 120.944 119.914 -0.150 0.000 2.307 994 V HA -0.257 3.864 4.120 0.001 0.000 0.245 994 V C 2.072 178.255 176.094 0.148 0.000 1.045 994 V CA 2.242 64.540 62.300 -0.004 0.000 1.024 994 V CB -1.007 30.743 31.823 -0.122 0.000 0.651 994 V HN 0.826 nan 8.190 nan 0.000 0.449 995 H N 0.198 119.310 119.070 0.070 0.000 2.289 995 H HA -0.218 4.339 4.556 0.001 0.000 0.296 995 H C 2.105 177.472 175.328 0.065 0.000 1.091 995 H CA 1.824 57.906 56.048 0.056 0.000 1.274 995 H CB -0.751 29.023 29.762 0.020 0.000 1.364 995 H HN 0.422 nan 8.280 nan 0.000 0.490 996 E N 0.905 121.036 120.200 -0.117 0.000 2.164 996 E HA -0.145 4.205 4.350 0.001 0.000 0.206 996 E C 1.082 177.680 176.600 -0.002 0.000 1.032 996 E CA 1.278 57.634 56.400 -0.073 0.000 0.832 996 E CB -0.102 29.500 29.700 -0.162 0.000 0.742 996 E HN 0.703 nan 8.360 nan 0.000 0.460 997 G N -1.046 107.760 108.800 0.011 0.000 2.404 997 G HA2 0.379 4.340 3.960 0.001 0.000 0.253 997 G HA3 0.379 4.340 3.960 0.001 0.000 0.253 997 G C -1.495 173.341 174.900 -0.107 0.000 1.253 997 G CA -0.823 44.263 45.100 -0.023 0.000 0.917 997 G HN 0.030 nan 8.290 nan 0.000 0.480 998 R N 0.317 120.741 120.500 -0.126 0.000 2.561 998 R HA 0.584 4.924 4.340 0.001 0.000 0.266 998 R C -2.514 173.713 176.300 -0.122 0.000 1.091 998 R CA -0.935 55.035 56.100 -0.217 0.000 0.927 998 R CB 1.885 32.041 30.300 -0.242 0.000 1.240 998 R HN 0.613 nan 8.270 nan 0.000 0.449 999 P HA 0.138 nan 4.420 nan 0.000 0.272 999 P C -1.035 176.233 177.300 -0.053 0.000 1.230 999 P CA -0.151 62.866 63.100 -0.138 0.000 0.788 999 P CB 0.438 32.102 31.700 -0.058 0.000 0.949 1000 H N -1.202 117.863 119.070 -0.008 0.000 2.812 1000 H HA 0.331 4.887 4.556 0.000 0.000 0.355 1000 H C 1.117 176.459 175.328 0.023 0.000 1.207 1000 H CA -1.103 54.943 56.048 -0.004 0.000 1.217 1000 H CB 0.799 30.547 29.762 -0.023 0.000 1.874 1000 H HN 0.156 nan 8.280 nan 0.000 0.581 1001 I N -1.361 119.309 120.570 0.166 0.000 2.113 1001 I HA -0.356 3.814 4.170 0.001 0.000 0.242 1001 I C 2.443 178.610 176.117 0.082 0.000 1.057 1001 I CA 1.514 62.883 61.300 0.115 0.000 1.314 1001 I CB -0.942 37.056 38.000 -0.003 0.000 1.022 1001 I HN 0.606 nan 8.210 nan 0.000 0.408 1002 Q N 0.815 120.550 119.800 -0.108 0.000 2.061 1002 Q HA -0.264 4.077 4.340 0.001 0.000 0.204 1002 Q C 2.065 178.084 176.000 0.030 0.000 0.984 1002 Q CA 2.292 58.028 55.803 -0.111 0.000 0.846 1002 Q CB -0.442 28.076 28.738 -0.367 0.000 0.902 1002 Q HN 0.641 nan 8.270 nan 0.000 0.421 1003 D N -0.231 120.306 120.400 0.227 0.000 2.123 1003 D HA -0.156 4.485 4.640 0.001 0.000 0.196 1003 D C 2.056 178.364 176.300 0.013 0.000 0.992 1003 D CA 1.002 55.097 54.000 0.160 0.000 0.833 1003 D CB 0.036 40.949 40.800 0.189 0.000 0.954 1003 D HN 0.277 nan 8.370 nan 0.000 0.455 1004 R N 0.204 120.731 120.500 0.046 0.000 2.075 1004 R HA 0.001 4.341 4.340 0.001 0.000 0.232 1004 R C 2.652 178.879 176.300 -0.122 0.000 1.126 1004 R CA 0.527 56.581 56.100 -0.076 0.000 0.963 1004 R CB -0.248 29.994 30.300 -0.097 0.000 0.858 1004 R HN 0.229 nan 8.270 nan 0.000 0.435 1005 I N 1.471 122.072 120.570 0.052 0.000 2.127 1005 I HA -0.347 3.823 4.170 0.001 0.000 0.241 1005 I C 2.722 178.692 176.117 -0.245 0.000 1.075 1005 I CA 1.520 62.868 61.300 0.080 0.000 1.334 1005 I CB -0.352 37.722 38.000 0.123 0.000 1.040 1005 I HN 0.179 nan 8.210 nan 0.000 0.405 1006 K N 1.073 121.213 120.400 -0.433 0.000 2.103 1006 K HA -0.229 4.091 4.320 0.001 0.000 0.207 1006 K C 1.799 178.049 176.600 -0.584 0.000 1.048 1006 K CA 1.725 57.430 56.287 -0.970 0.000 0.930 1006 K CB -0.202 31.945 32.500 -0.588 0.000 0.716 1006 K HN 0.318 nan 8.250 nan 0.000 0.444 1007 N N 0.058 118.581 118.700 -0.295 0.000 2.512 1007 N HA -0.067 4.674 4.740 0.001 0.000 0.183 1007 N C 0.510 175.922 175.510 -0.163 0.000 1.073 1007 N CA 1.206 54.141 53.050 -0.193 0.000 0.911 1007 N CB 0.211 38.614 38.487 -0.142 0.000 0.964 1007 N HN 0.551 nan 8.380 nan 0.000 0.447 1008 G N 1.407 110.101 108.800 -0.175 0.000 2.160 1008 G HA2 -0.238 3.722 3.960 0.001 0.000 0.244 1008 G HA3 -0.238 3.722 3.960 0.001 0.000 0.244 1008 G C 0.737 175.586 174.900 -0.086 0.000 1.022 1008 G CA 0.211 45.266 45.100 -0.075 0.000 0.741 1008 G HN 0.358 nan 8.290 nan 0.000 0.508 1009 E N -1.286 118.783 120.200 -0.217 0.000 2.150 1009 E HA -0.050 4.300 4.350 0.001 0.000 0.193 1009 E C 0.426 176.823 176.600 -0.340 0.000 0.985 1009 E CA 1.030 57.209 56.400 -0.368 0.000 0.814 1009 E CB 0.086 29.386 29.700 -0.667 0.000 0.752 1009 E HN 0.678 nan 8.360 nan 0.000 0.466 1010 Y N -0.172 120.163 120.300 0.059 0.000 2.420 1010 Y HA 0.122 4.673 4.550 0.000 0.000 0.334 1010 Y C 1.567 177.553 175.900 0.143 0.000 1.094 1010 Y CA -0.413 57.750 58.100 0.106 0.000 1.126 1010 Y CB 1.591 40.098 38.460 0.080 0.000 1.217 1010 Y HN -0.156 nan 8.280 nan 0.000 0.462 1011 T N -2.407 112.389 114.554 0.403 0.000 2.971 1011 T HA 0.195 4.546 4.350 0.001 0.000 0.252 1011 T C -0.624 174.337 174.700 0.434 0.000 1.022 1011 T CA 0.161 62.467 62.100 0.343 0.000 0.980 1011 T CB -0.076 68.942 68.868 0.249 0.000 1.044 1011 T HN 0.448 nan 8.240 nan 0.000 0.501 1012 Y N 0.433 120.904 120.300 0.283 0.000 2.513 1012 Y HA 0.689 5.239 4.550 0.001 0.000 0.340 1012 Y C -2.169 173.769 175.900 0.064 0.000 1.055 1012 Y CA -2.730 55.473 58.100 0.172 0.000 1.020 1012 Y CB 1.568 40.049 38.460 0.035 0.000 1.301 1012 Y HN 0.142 nan 8.280 nan 0.000 0.453 1013 I N 7.053 127.247 120.570 -0.627 0.000 2.534 1013 I HA 0.410 4.580 4.170 0.001 0.000 0.288 1013 I C -1.474 174.118 176.117 -0.876 0.000 1.077 1013 I CA -0.907 59.999 61.300 -0.657 0.000 1.051 1013 I CB 2.204 40.015 38.000 -0.315 0.000 1.234 1013 I HN 0.549 nan 8.210 nan 0.000 0.425 1014 I N 6.812 126.957 120.570 -0.709 0.000 2.382 1014 I HA 0.388 4.558 4.170 0.001 0.000 0.285 1014 I C -0.941 175.039 176.117 -0.228 0.000 1.007 1014 I CA 0.130 61.174 61.300 -0.427 0.000 1.142 1014 I CB 0.925 38.730 38.000 -0.326 0.000 1.289 1014 I HN 0.605 nan 8.210 nan 0.000 0.453 1015 N N 5.408 124.030 118.700 -0.131 0.000 2.540 1015 N HA 0.394 5.134 4.740 0.001 0.000 0.275 1015 N C -1.246 174.243 175.510 -0.035 0.000 1.053 1015 N CA -0.339 52.656 53.050 -0.092 0.000 0.876 1015 N CB 1.041 39.463 38.487 -0.109 0.000 1.284 1015 N HN 0.650 nan 8.380 nan 0.000 0.518 1016 T N 0.408 114.947 114.554 -0.025 0.000 2.823 1016 T HA 0.563 4.913 4.350 0.001 0.000 0.279 1016 T C -0.088 174.611 174.700 -0.002 0.000 0.998 1016 T CA -0.353 61.750 62.100 0.004 0.000 0.994 1016 T CB 1.791 70.673 68.868 0.024 0.000 0.960 1016 T HN 0.229 nan 8.240 nan 0.000 0.448 1017 T N 1.571 116.126 114.554 0.002 0.000 2.926 1017 T HA 0.770 5.120 4.350 0.001 0.000 0.289 1017 T C -0.625 174.071 174.700 -0.006 0.000 1.054 1017 T CA -0.933 61.159 62.100 -0.012 0.000 1.015 1017 T CB 1.837 70.689 68.868 -0.027 0.000 1.167 1017 T HN 0.685 nan 8.240 nan 0.000 0.526 1018 S N -0.081 115.598 115.700 -0.034 0.000 2.626 1018 S HA 0.683 5.154 4.470 0.001 0.000 0.275 1018 S C -0.396 174.109 174.600 -0.158 0.000 1.175 1018 S CA 0.170 58.339 58.200 -0.053 0.000 0.982 1018 S CB 0.821 64.018 63.200 -0.005 0.000 1.093 1018 S HN 1.534 nan 8.310 nan 0.000 0.472 1019 G N 3.534 112.145 108.800 -0.315 0.000 2.907 1019 G HA2 -0.083 3.878 3.960 0.001 0.000 0.686 1019 G HA3 -0.083 3.878 3.960 0.001 0.000 0.686 1019 G C 0.149 174.846 174.900 -0.337 0.000 1.115 1019 G CA -0.675 44.104 45.100 -0.535 0.000 0.760 1019 G HN 0.576 nan 8.290 nan 0.000 0.620 1020 R N 0.821 121.106 120.500 -0.359 0.000 2.134 1020 R HA -0.121 4.219 4.340 0.001 0.000 0.248 1020 R C 2.696 178.934 176.300 -0.103 0.000 1.143 1020 R CA 2.358 58.370 56.100 -0.147 0.000 0.957 1020 R CB -0.548 29.709 30.300 -0.072 0.000 0.867 1020 R HN 0.711 nan 8.270 nan 0.000 0.441 1021 R N -0.829 119.600 120.500 -0.119 0.000 2.062 1021 R HA 0.051 4.391 4.340 0.001 0.000 0.226 1021 R C 2.063 178.314 176.300 -0.081 0.000 1.125 1021 R CA 1.128 57.176 56.100 -0.087 0.000 0.966 1021 R CB -0.234 30.015 30.300 -0.084 0.000 0.861 1021 R HN 0.248 nan 8.270 nan 0.000 0.433 1022 A N 0.886 123.647 122.820 -0.097 0.000 1.948 1022 A HA -0.188 4.133 4.320 0.001 0.000 0.220 1022 A C 2.051 179.596 177.584 -0.065 0.000 1.177 1022 A CA 1.361 53.351 52.037 -0.078 0.000 0.636 1022 A CB -0.474 18.472 19.000 -0.090 0.000 0.815 1022 A HN 0.304 nan 8.150 nan 0.000 0.449 1023 I N -0.720 119.806 120.570 -0.073 0.000 2.163 1023 I HA -0.227 3.944 4.170 0.001 0.000 0.240 1023 I C 2.473 178.559 176.117 -0.051 0.000 1.081 1023 I CA 1.582 62.847 61.300 -0.059 0.000 1.353 1023 I CB -0.275 37.691 38.000 -0.057 0.000 1.054 1023 I HN 0.384 nan 8.210 nan 0.000 0.407 1024 E N 0.326 120.497 120.200 -0.048 0.000 2.204 1024 E HA -0.228 4.122 4.350 0.001 0.000 0.195 1024 E C 1.454 178.030 176.600 -0.040 0.000 0.990 1024 E CA 1.039 57.415 56.400 -0.040 0.000 0.821 1024 E CB -0.017 29.663 29.700 -0.033 0.000 0.750 1024 E HN 0.437 nan 8.360 nan 0.000 0.477 1025 D N -0.262 120.113 120.400 -0.042 0.000 2.183 1025 D HA -0.067 4.573 4.640 0.001 0.000 0.203 1025 D C 1.719 178.007 176.300 -0.021 0.000 0.969 1025 D CA 1.026 55.008 54.000 -0.029 0.000 0.842 1025 D CB 0.032 40.814 40.800 -0.030 0.000 0.957 1025 D HN 0.089 nan 8.370 nan 0.000 0.484 1026 S N -0.307 115.370 115.700 -0.038 0.000 2.556 1026 S HA 0.058 4.528 4.470 0.001 0.000 0.216 1026 S C 1.646 176.200 174.600 -0.076 0.000 0.970 1026 S CA -0.411 57.758 58.200 -0.052 0.000 0.912 1026 S CB 0.313 63.480 63.200 -0.056 0.000 0.790 1026 S HN 0.161 nan 8.310 nan 0.000 0.504 1027 R N 1.720 122.179 120.500 -0.069 0.000 2.170 1027 R HA -0.105 4.235 4.340 0.001 0.000 0.242 1027 R C 2.034 178.275 176.300 -0.098 0.000 1.145 1027 R CA 1.645 57.695 56.100 -0.083 0.000 0.984 1027 R CB -0.575 29.687 30.300 -0.063 0.000 0.869 1027 R HN 0.408 nan 8.270 nan 0.000 0.455 1028 V N 0.312 120.174 119.914 -0.086 0.000 2.453 1028 V HA -0.128 3.993 4.120 0.001 0.000 0.247 1028 V C 1.953 177.978 176.094 -0.115 0.000 1.048 1028 V CA 1.531 63.777 62.300 -0.090 0.000 1.049 1028 V CB -0.204 31.569 31.823 -0.084 0.000 0.672 1028 V HN 0.320 nan 8.190 nan 0.000 0.457 1029 I N 0.432 120.921 120.570 -0.134 0.000 2.127 1029 I HA -0.214 3.956 4.170 0.001 0.000 0.241 1029 I C 2.887 178.853 176.117 -0.251 0.000 1.075 1029 I CA 2.248 63.448 61.300 -0.167 0.000 1.334 1029 I CB -0.568 37.331 38.000 -0.169 0.000 1.040 1029 I HN 0.211 nan 8.210 nan 0.000 0.405 1030 R N 0.255 120.577 120.500 -0.298 0.000 2.073 1030 R HA -0.097 4.243 4.340 0.001 0.000 0.234 1030 R C 2.515 178.576 176.300 -0.397 0.000 1.134 1030 R CA 1.322 57.138 56.100 -0.474 0.000 0.952 1030 R CB -0.318 29.772 30.300 -0.350 0.000 0.850 1030 R HN 0.351 nan 8.270 nan 0.000 0.433 1031 R N 0.085 120.448 120.500 -0.228 0.000 2.073 1031 R HA -0.055 4.285 4.340 0.001 0.000 0.234 1031 R C 2.414 178.639 176.300 -0.126 0.000 1.134 1031 R CA 1.771 57.779 56.100 -0.155 0.000 0.952 1031 R CB -0.290 29.952 30.300 -0.096 0.000 0.850 1031 R HN 0.166 nan 8.270 nan 0.000 0.433 1032 S N 1.282 116.935 115.700 -0.079 0.000 2.368 1032 S HA -0.141 4.330 4.470 0.001 0.000 0.225 1032 S C 2.209 176.862 174.600 0.088 0.000 1.030 1032 S CA 1.181 59.418 58.200 0.061 0.000 0.999 1032 S CB -0.280 62.991 63.200 0.118 0.000 0.844 1032 S HN 0.459 nan 8.310 nan 0.000 0.459 1033 A N 1.568 124.337 122.820 -0.085 0.000 1.908 1033 A HA -0.066 4.254 4.320 0.001 0.000 0.218 1033 A C 2.178 179.741 177.584 -0.036 0.000 1.181 1033 A CA 1.509 53.485 52.037 -0.102 0.000 0.627 1033 A CB -0.782 17.971 19.000 -0.411 0.000 0.818 1033 A HN 0.401 nan 8.150 nan 0.000 0.445 1034 L N -0.364 120.780 121.223 -0.131 0.000 2.017 1034 L HA -0.201 4.140 4.340 0.001 0.000 0.208 1034 L C 2.678 179.529 176.870 -0.032 0.000 1.073 1034 L CA 2.594 57.440 54.840 0.011 0.000 0.745 1034 L CB -0.565 41.507 42.059 0.022 0.000 0.894 1034 L HN 0.626 nan 8.230 nan 0.000 0.432 1035 Q N -1.680 118.029 119.800 -0.151 0.000 2.124 1035 Q HA -0.247 4.093 4.340 0.001 0.000 0.202 1035 Q C 1.412 177.108 176.000 -0.506 0.000 0.977 1035 Q CA 1.949 57.537 55.803 -0.359 0.000 0.850 1035 Q CB -0.193 28.225 28.738 -0.534 0.000 0.901 1035 Q HN 0.644 nan 8.270 nan 0.000 0.429 1036 Y N 0.370 120.688 120.300 0.030 0.000 2.466 1036 Y HA 0.181 4.732 4.550 0.001 0.000 0.272 1036 Y C -0.001 175.942 175.900 0.072 0.000 1.169 1036 Y CA 0.099 58.228 58.100 0.047 0.000 1.285 1036 Y CB 0.759 39.248 38.460 0.049 0.000 1.078 1036 Y HN -0.009 nan 8.280 nan 0.000 0.523 1037 K N -1.308 119.184 120.400 0.154 0.000 3.251 1037 K HA -0.132 4.188 4.320 0.001 0.000 0.282 1037 K C -0.724 176.002 176.600 0.209 0.000 1.201 1037 K CA 0.394 56.778 56.287 0.162 0.000 0.827 1037 K CB -2.595 29.985 32.500 0.134 0.000 1.286 1037 K HN 0.116 nan 8.250 nan 0.000 0.503 1038 V N 1.736 121.792 119.914 0.236 0.000 2.406 1038 V HA 0.119 4.239 4.120 0.001 0.000 0.272 1038 V C 0.827 177.116 176.094 0.325 0.000 1.043 1038 V CA -0.676 61.783 62.300 0.265 0.000 0.915 1038 V CB 0.997 32.962 31.823 0.237 0.000 0.988 1038 V HN 0.330 nan 8.190 nan 0.000 0.466 1039 H N 5.447 124.675 119.070 0.264 0.000 3.034 1039 H HA 0.303 4.859 4.556 0.001 0.000 0.324 1039 H C -0.643 174.892 175.328 0.345 0.000 1.015 1039 H CA 0.322 56.530 56.048 0.267 0.000 1.429 1039 H CB 0.200 30.091 29.762 0.215 0.000 1.429 1039 H HN 0.683 nan 8.280 nan 0.000 0.585 1040 Y N 1.702 121.702 120.300 -0.500 0.000 2.534 1040 Y HA 0.464 5.015 4.550 0.001 0.000 0.345 1040 Y C -1.465 174.264 175.900 -0.284 0.000 1.031 1040 Y CA -1.442 56.470 58.100 -0.313 0.000 1.022 1040 Y CB 1.314 39.640 38.460 -0.224 0.000 1.292 1040 Y HN 0.464 nan 8.280 nan 0.000 0.459 1041 D N 1.247 121.614 120.400 -0.056 0.000 2.252 1041 D HA 0.291 4.931 4.640 0.001 0.000 0.245 1041 D C 0.258 176.587 176.300 0.048 0.000 1.009 1041 D CA -0.245 53.753 54.000 -0.004 0.000 0.870 1041 D CB 2.265 43.173 40.800 0.180 0.000 1.251 1041 D HN 0.832 nan 8.370 nan 0.000 0.460 1042 T N -3.072 111.516 114.554 0.057 0.000 3.044 1042 T HA 0.146 4.496 4.350 0.001 0.000 0.260 1042 T C 0.535 175.281 174.700 0.076 0.000 1.019 1042 T CA -0.124 62.027 62.100 0.086 0.000 0.921 1042 T CB 0.004 68.943 68.868 0.118 0.000 1.053 1042 T HN 0.422 nan 8.240 nan 0.000 0.533 1043 T N -0.599 114.006 114.554 0.086 0.000 2.893 1043 T HA 0.614 4.965 4.350 0.001 0.000 0.293 1043 T C 0.616 175.381 174.700 0.108 0.000 1.027 1043 T CA -0.882 61.279 62.100 0.102 0.000 0.988 1043 T CB 1.781 70.723 68.868 0.124 0.000 1.043 1043 T HN -0.105 nan 8.240 nan 0.000 0.461 1044 L N 2.359 123.652 121.223 0.116 0.000 2.017 1044 L HA 0.018 4.358 4.340 0.001 0.000 0.208 1044 L C 2.190 179.204 176.870 0.239 0.000 1.073 1044 L CA 1.777 56.696 54.840 0.132 0.000 0.745 1044 L CB -1.353 40.812 42.059 0.176 0.000 0.894 1044 L HN 0.742 nan 8.230 nan 0.000 0.432 1045 N N -0.144 118.708 118.700 0.253 0.000 2.137 1045 N HA -0.156 4.585 4.740 0.001 0.000 0.190 1045 N C 1.771 177.410 175.510 0.215 0.000 1.017 1045 N CA 1.410 54.619 53.050 0.264 0.000 0.859 1045 N CB -0.739 37.865 38.487 0.194 0.000 1.002 1045 N HN 0.504 nan 8.380 nan 0.000 0.428 1046 G N -0.166 108.737 108.800 0.172 0.000 2.404 1046 G HA2 -0.122 3.838 3.960 0.001 0.000 0.215 1046 G HA3 -0.122 3.838 3.960 0.001 0.000 0.215 1046 G C 1.624 176.601 174.900 0.129 0.000 1.174 1046 G CA 0.926 46.119 45.100 0.154 0.000 0.780 1046 G HN 0.427 nan 8.290 nan 0.000 0.537 1047 G N 0.311 109.186 108.800 0.125 0.000 2.442 1047 G HA2 -0.162 3.798 3.960 0.001 0.000 0.219 1047 G HA3 -0.162 3.798 3.960 0.001 0.000 0.219 1047 G C 1.591 176.447 174.900 -0.072 0.000 1.141 1047 G CA 0.658 45.808 45.100 0.084 0.000 0.763 1047 G HN 0.311 nan 8.290 nan 0.000 0.554 1048 F N 1.661 121.616 119.950 0.007 0.000 2.171 1048 F HA 0.079 4.606 4.527 0.001 0.000 0.300 1048 F C 2.941 178.688 175.800 -0.089 0.000 1.090 1048 F CA 0.887 58.870 58.000 -0.028 0.000 1.293 1048 F CB -0.256 38.741 39.000 -0.004 0.000 1.013 1048 F HN 0.245 nan 8.300 nan 0.000 0.486 1049 A N -1.120 121.697 122.820 -0.005 0.000 1.929 1049 A HA -0.106 4.215 4.320 0.001 0.000 0.216 1049 A C 2.231 179.558 177.584 -0.428 0.000 1.176 1049 A CA 1.952 53.766 52.037 -0.371 0.000 0.628 1049 A CB -1.140 17.294 19.000 -0.942 0.000 0.816 1049 A HN 0.308 nan 8.150 nan 0.000 0.444 1050 T N 0.230 114.664 114.554 -0.199 0.000 2.777 1050 T HA 0.008 4.359 4.350 0.001 0.000 0.266 1050 T C 2.244 176.838 174.700 -0.177 0.000 1.040 1050 T CA 1.460 63.507 62.100 -0.090 0.000 1.141 1050 T CB -0.382 68.415 68.868 -0.118 0.000 0.868 1050 T HN 0.564 nan 8.240 nan 0.000 0.444 1051 A N 1.521 124.229 122.820 -0.186 0.000 1.902 1051 A HA -0.082 4.239 4.320 0.001 0.000 0.217 1051 A C 2.323 179.873 177.584 -0.056 0.000 1.181 1051 A CA 1.561 53.502 52.037 -0.159 0.000 0.623 1051 A CB -0.672 18.254 19.000 -0.123 0.000 0.818 1051 A HN 0.477 nan 8.150 nan 0.000 0.443 1052 M N -0.522 119.071 119.600 -0.011 0.000 2.117 1052 M HA -0.130 4.350 4.480 0.001 0.000 0.262 1052 M C 2.437 178.739 176.300 0.004 0.000 1.065 1052 M CA 1.394 56.711 55.300 0.028 0.000 1.114 1052 M CB -0.479 32.174 32.600 0.088 0.000 1.361 1052 M HN 0.449 nan 8.290 nan 0.000 0.408 1053 A N 0.352 123.162 122.820 -0.017 0.000 2.125 1053 A HA -0.083 4.237 4.320 0.001 0.000 0.219 1053 A C 2.106 179.673 177.584 -0.028 0.000 1.156 1053 A CA 1.070 53.106 52.037 -0.002 0.000 0.671 1053 A CB -0.877 18.174 19.000 0.085 0.000 0.794 1053 A HN 0.473 nan 8.150 nan 0.000 0.459 1054 L N -0.857 120.345 121.223 -0.033 0.000 2.201 1054 L HA -0.172 4.169 4.340 0.001 0.000 0.212 1054 L C 1.804 178.676 176.870 0.004 0.000 1.105 1054 L CA 1.351 56.181 54.840 -0.017 0.000 0.775 1054 L CB -0.443 41.613 42.059 -0.006 0.000 0.913 1054 L HN 0.523 nan 8.230 nan 0.000 0.440 1055 N N -0.504 118.200 118.700 0.007 0.000 2.494 1055 N HA 0.057 4.797 4.740 0.001 0.000 0.182 1055 N C 0.431 175.943 175.510 0.004 0.000 1.076 1055 N CA 0.142 53.200 53.050 0.015 0.000 0.908 1055 N CB 0.248 38.751 38.487 0.025 0.000 0.967 1055 N HN 0.229 nan 8.380 nan 0.000 0.449 1056 A N 0.181 122.994 122.820 -0.011 0.000 2.288 1056 A HA 0.450 4.771 4.320 0.001 0.000 0.328 1056 A C -1.084 176.475 177.584 -0.041 0.000 1.123 1056 A CA -0.481 51.543 52.037 -0.022 0.000 0.861 1056 A CB 1.032 20.015 19.000 -0.029 0.000 1.272 1056 A HN 0.010 nan 8.150 nan 0.000 0.490 1057 D N -0.060 120.312 120.400 -0.047 0.000 2.469 1057 D HA 0.551 5.192 4.640 0.001 0.000 0.251 1057 D C 0.745 176.993 176.300 -0.086 0.000 1.173 1057 D CA 0.229 54.187 54.000 -0.069 0.000 0.882 1057 D CB 1.489 42.254 40.800 -0.058 0.000 1.129 1057 D HN 0.464 nan 8.370 nan 0.000 0.549 1058 A N 2.519 125.268 122.820 -0.119 0.000 1.972 1058 A HA -0.113 4.208 4.320 0.001 0.000 0.219 1058 A C 1.811 179.310 177.584 -0.140 0.000 1.169 1058 A CA 1.956 53.912 52.037 -0.135 0.000 0.635 1058 A CB -0.535 18.362 19.000 -0.172 0.000 0.810 1058 A HN 0.603 nan 8.150 nan 0.000 0.446 1059 T N -2.980 111.477 114.554 -0.161 0.000 3.129 1059 T HA 0.106 4.457 4.350 0.001 0.000 0.251 1059 T C 1.377 176.007 174.700 -0.117 0.000 1.117 1059 T CA 0.851 62.852 62.100 -0.165 0.000 1.034 1059 T CB 0.091 68.833 68.868 -0.209 0.000 0.968 1059 T HN 0.598 nan 8.240 nan 0.000 0.526 1060 E N 2.003 122.150 120.200 -0.088 0.000 2.017 1060 E HA -0.083 4.267 4.350 0.001 0.000 0.193 1060 E C 0.766 177.338 176.600 -0.047 0.000 0.997 1060 E CA 0.854 57.220 56.400 -0.058 0.000 0.804 1060 E CB 0.150 29.826 29.700 -0.039 0.000 0.757 1060 E HN 0.681 nan 8.360 nan 0.000 0.448 1061 K N 0.152 120.526 120.400 -0.042 0.000 2.468 1061 K HA 0.359 4.679 4.320 0.001 0.000 0.252 1061 K C -1.107 175.478 176.600 -0.025 0.000 0.932 1061 K CA -0.790 55.482 56.287 -0.026 0.000 0.794 1061 K CB 2.256 34.752 32.500 -0.005 0.000 1.241 1061 K HN 0.004 nan 8.250 nan 0.000 0.428 1062 V N 2.121 122.028 119.914 -0.012 0.000 2.628 1062 V HA 0.753 4.873 4.120 0.001 0.000 0.306 1062 V C -0.665 175.513 176.094 0.140 0.000 1.045 1062 V CA -0.743 61.576 62.300 0.031 0.000 0.905 1062 V CB 1.397 33.181 31.823 -0.065 0.000 0.997 1062 V HN 0.948 nan 8.190 nan 0.000 0.436 1063 I N 3.626 124.305 120.570 0.183 0.000 2.722 1063 I HA 0.635 4.806 4.170 0.001 0.000 0.295 1063 I C 0.211 176.273 176.117 -0.092 0.000 1.161 1063 I CA -0.220 61.136 61.300 0.093 0.000 1.032 1063 I CB 2.597 40.579 38.000 -0.029 0.000 1.244 1063 I HN 1.100 nan 8.210 nan 0.000 0.421 1064 S N 4.865 120.324 115.700 -0.402 0.000 2.645 1064 S HA 0.297 4.768 4.470 0.001 0.000 0.266 1064 S C 0.948 175.293 174.600 -0.425 0.000 1.258 1064 S CA -0.568 57.190 58.200 -0.737 0.000 0.990 1064 S CB 1.727 64.447 63.200 -0.801 0.000 0.967 1064 S HN 0.478 nan 8.310 nan 0.000 0.556 1065 V N 1.540 121.195 119.914 -0.432 0.000 2.515 1065 V HA -0.127 3.993 4.120 0.001 0.000 0.250 1065 V C 2.641 178.496 176.094 -0.397 0.000 1.058 1065 V CA 1.726 63.757 62.300 -0.449 0.000 1.064 1065 V CB -1.488 30.072 31.823 -0.438 0.000 0.675 1065 V HN 0.808 nan 8.190 nan 0.000 0.461 1066 Q N 0.449 120.086 119.800 -0.272 0.000 2.124 1066 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 1066 Q C 2.225 178.185 176.000 -0.067 0.000 0.977 1066 Q CA 1.829 57.548 55.803 -0.138 0.000 0.850 1066 Q CB -0.315 28.360 28.738 -0.106 0.000 0.901 1066 Q HN 0.700 nan 8.270 nan 0.000 0.429 1067 E N -0.235 119.902 120.200 -0.104 0.000 2.047 1067 E HA -0.144 4.207 4.350 0.001 0.000 0.191 1067 E C 1.928 178.534 176.600 0.010 0.000 0.987 1067 E CA 1.099 57.472 56.400 -0.045 0.000 0.799 1067 E CB -0.068 29.589 29.700 -0.072 0.000 0.752 1067 E HN 0.329 nan 8.360 nan 0.000 0.449 1068 M N -0.228 119.346 119.600 -0.044 0.000 2.065 1068 M HA -0.220 4.260 4.480 0.001 0.000 0.259 1068 M C 2.079 178.571 176.300 0.319 0.000 1.069 1068 M CA 1.659 56.980 55.300 0.036 0.000 1.110 1068 M CB -0.470 31.996 32.600 -0.223 0.000 1.328 1068 M HN 0.273 nan 8.290 nan 0.000 0.405 1069 H N -1.003 118.106 119.070 0.065 0.000 2.456 1069 H HA -0.042 4.514 4.556 0.001 0.000 0.296 1069 H C 1.986 177.345 175.328 0.051 0.000 1.079 1069 H CA 0.726 56.816 56.048 0.070 0.000 1.322 1069 H CB 0.110 29.889 29.762 0.028 0.000 1.388 1069 H HN 0.454 nan 8.280 nan 0.000 0.538 1070 A N 0.653 123.567 122.820 0.157 0.000 2.123 1070 A HA -0.080 4.240 4.320 0.001 0.000 0.214 1070 A C 2.051 179.681 177.584 0.076 0.000 1.152 1070 A CA 0.488 52.577 52.037 0.087 0.000 0.728 1070 A CB 0.009 19.044 19.000 0.058 0.000 0.814 1070 A HN 0.416 nan 8.150 nan 0.000 0.464 1071 Q N -0.447 119.420 119.800 0.111 0.000 2.435 1071 Q HA 0.117 4.457 4.340 0.001 0.000 0.207 1071 Q C -0.279 175.747 176.000 0.044 0.000 0.956 1071 Q CA 0.263 56.123 55.803 0.095 0.000 0.917 1071 Q CB -0.021 28.819 28.738 0.169 0.000 0.997 1071 Q HN 0.658 nan 8.270 nan 0.000 0.497 1072 I N 2.642 123.234 120.570 0.036 0.000 2.379 1072 I HA 0.044 4.214 4.170 0.001 0.000 0.290 1072 I C 0.292 176.391 176.117 -0.031 0.000 1.063 1072 I CA -0.193 61.089 61.300 -0.031 0.000 1.351 1072 I CB 0.361 38.320 38.000 -0.068 0.000 1.410 1072 I HN -0.125 nan 8.210 nan 0.000 0.505 1073 K N 0.000 120.375 120.400 -0.042 0.000 2.780 1073 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.267 56.287 -0.033 0.000 0.838 1073 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543