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 1t36_1_G 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 PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV 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 0.000 176.265 176.300 -0.058 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 2 P HA 0.414 nan 4.420 nan 0.000 0.310 2 P C -1.434 175.587 177.300 -0.464 0.000 1.309 2 P CA -0.776 62.156 63.100 -0.280 0.000 0.769 2 P CB 0.242 31.863 31.700 -0.132 0.000 1.327 3 K N 0.314 120.266 120.400 -0.748 0.000 2.550 3 K HA -0.018 4.204 4.320 -0.164 0.000 0.280 3 K C 0.057 176.574 176.600 -0.139 0.000 0.987 3 K CA 0.214 56.212 56.287 -0.481 0.000 1.048 3 K CB 0.315 32.675 32.500 -0.234 0.000 0.879 3 K HN 0.246 nan 8.250 nan 0.000 0.491 4 R N 1.472 121.957 120.500 -0.024 0.000 2.570 4 R HA -0.031 4.211 4.340 -0.164 0.000 0.277 4 R C 0.956 177.308 176.300 0.086 0.000 1.039 4 R CA 0.718 56.838 56.100 0.032 0.000 1.065 4 R CB 0.551 30.879 30.300 0.045 0.000 0.964 4 R HN 0.961 nan 8.270 nan 0.000 0.428 5 T N -2.299 112.278 114.554 0.039 0.000 3.023 5 T HA -0.084 4.168 4.350 -0.164 0.000 0.249 5 T C 1.115 175.840 174.700 0.042 0.000 1.050 5 T CA 0.339 62.455 62.100 0.027 0.000 1.088 5 T CB 0.088 68.956 68.868 0.001 0.000 0.946 5 T HN 0.709 nan 8.240 nan 0.000 0.480 6 D N 1.354 121.780 120.400 0.044 0.000 2.358 6 D HA 0.034 4.576 4.640 -0.164 0.000 0.241 6 D C 0.255 176.595 176.300 0.066 0.000 1.094 6 D CA 0.058 54.084 54.000 0.043 0.000 0.907 6 D CB -0.179 40.639 40.800 0.030 0.000 0.893 6 D HN 0.450 nan 8.370 nan 0.000 0.528 7 I N -0.197 120.438 120.570 0.108 0.000 2.569 7 I HA 0.189 4.261 4.170 -0.164 0.000 0.290 7 I C 0.516 176.768 176.117 0.226 0.000 1.088 7 I CA -0.728 60.662 61.300 0.150 0.000 1.047 7 I CB 2.475 40.565 38.000 0.149 0.000 1.237 7 I HN -0.343 nan 8.210 nan 0.000 0.421 8 K N 1.988 122.493 120.400 0.175 0.000 2.325 8 K HA 0.196 4.417 4.320 -0.164 0.000 0.203 8 K C 0.290 177.027 176.600 0.229 0.000 1.128 8 K CA 0.287 56.670 56.287 0.160 0.000 0.931 8 K CB 0.516 33.057 32.500 0.069 0.000 1.125 8 K HN 0.644 nan 8.250 nan 0.000 0.487 9 S N 0.705 116.499 115.700 0.157 0.000 2.475 9 S HA 0.665 5.037 4.470 -0.164 0.000 0.298 9 S C -0.348 174.310 174.600 0.098 0.000 1.119 9 S CA -0.832 57.444 58.200 0.128 0.000 1.085 9 S CB 1.121 64.374 63.200 0.087 0.000 1.028 9 S HN 0.093 nan 8.310 nan 0.000 0.489 10 I N 2.394 123.010 120.570 0.077 0.000 2.569 10 I HA 0.372 4.444 4.170 -0.164 0.000 0.290 10 I C -1.222 174.912 176.117 0.029 0.000 1.088 10 I CA -0.885 60.432 61.300 0.029 0.000 1.047 10 I CB 2.122 40.105 38.000 -0.028 0.000 1.237 10 I HN 0.586 nan 8.210 nan 0.000 0.421 11 L N 7.689 128.924 121.223 0.020 0.000 2.264 11 L HA 0.570 4.812 4.340 -0.164 0.000 0.289 11 L C -0.761 176.115 176.870 0.011 0.000 1.044 11 L CA 0.103 54.956 54.840 0.020 0.000 0.807 11 L CB 0.634 42.697 42.059 0.008 0.000 1.192 11 L HN 0.383 nan 8.230 nan 0.000 0.425 12 I N 6.539 127.119 120.570 0.017 0.000 2.330 12 I HA 0.256 4.328 4.170 -0.164 0.000 0.289 12 I C -0.503 175.621 176.117 0.012 0.000 1.001 12 I CA -0.613 60.694 61.300 0.011 0.000 1.193 12 I CB 1.111 39.119 38.000 0.012 0.000 1.345 12 I HN 0.462 nan 8.210 nan 0.000 0.461 13 L N 6.341 127.565 121.223 0.001 0.000 2.313 13 L HA 0.392 4.634 4.340 -0.164 0.000 0.282 13 L C 1.042 177.906 176.870 -0.010 0.000 1.092 13 L CA -0.271 54.566 54.840 -0.006 0.000 0.831 13 L CB 0.397 42.446 42.059 -0.017 0.000 1.159 13 L HN 0.660 nan 8.230 nan 0.000 0.442 14 G N 1.652 110.453 108.800 0.000 0.000 2.562 14 G HA2 0.405 4.267 3.960 -0.164 0.000 0.275 14 G HA3 0.405 4.267 3.960 -0.164 0.000 0.275 14 G C 0.744 175.628 174.900 -0.026 0.000 1.196 14 G CA 0.101 45.205 45.100 0.007 0.000 0.908 14 G HN 0.785 nan 8.290 nan 0.000 0.524 15 A N -0.758 122.051 122.820 -0.018 0.000 2.081 15 A HA 0.565 4.787 4.320 -0.164 0.000 0.214 15 A C 1.555 179.116 177.584 -0.039 0.000 1.158 15 A CA 1.628 53.616 52.037 -0.081 0.000 0.724 15 A CB -0.760 18.181 19.000 -0.098 0.000 0.826 15 A HN 2.528 nan 8.150 nan 0.000 0.463 16 G N -1.219 107.581 108.800 -0.001 0.000 2.526 16 G HA2 0.010 3.872 3.960 -0.164 0.000 0.250 16 G HA3 0.010 3.872 3.960 -0.164 0.000 0.250 16 G C -3.199 171.705 174.900 0.007 0.000 1.289 16 G CA -0.472 44.625 45.100 -0.005 0.000 0.947 16 G HN 0.299 nan 8.290 nan 0.000 0.517 17 P HA 0.406 nan 4.420 nan 0.000 0.271 17 P C 0.437 177.739 177.300 0.003 0.000 1.218 17 P CA -0.355 62.738 63.100 -0.012 0.000 0.780 17 P CB 0.383 32.062 31.700 -0.035 0.000 0.901 18 I N 2.825 123.400 120.570 0.008 0.000 2.668 18 I HA 0.014 4.086 4.170 -0.164 0.000 0.285 18 I C 0.931 177.046 176.117 -0.004 0.000 1.168 18 I CA 0.258 61.570 61.300 0.020 0.000 1.424 18 I CB -0.500 37.508 38.000 0.012 0.000 1.377 18 I HN 0.186 nan 8.210 nan 0.000 0.560 19 V N 5.048 124.962 119.914 0.001 0.000 3.102 19 V HA 0.565 4.587 4.120 -0.164 0.000 0.312 19 V C -0.006 176.066 176.094 -0.036 0.000 1.135 19 V CA -1.226 61.055 62.300 -0.031 0.000 1.022 19 V CB 2.076 33.874 31.823 -0.043 0.000 1.056 19 V HN 0.437 nan 8.190 nan 0.000 0.436 20 I N 2.440 122.965 120.570 -0.076 0.000 2.668 20 I HA 0.434 4.506 4.170 -0.164 0.000 0.285 20 I C 1.494 177.557 176.117 -0.090 0.000 1.168 20 I CA 2.001 63.244 61.300 -0.095 0.000 1.424 20 I CB 0.637 38.545 38.000 -0.154 0.000 1.377 20 I HN 1.256 nan 8.210 nan 0.000 0.560 21 G N 4.739 113.498 108.800 -0.069 0.000 2.195 21 G HA2 -0.288 3.574 3.960 -0.164 0.000 0.246 21 G HA3 -0.288 3.574 3.960 -0.164 0.000 0.246 21 G C 0.271 175.206 174.900 0.059 0.000 0.984 21 G CA 0.083 45.155 45.100 -0.047 0.000 0.633 21 G HN 0.601 nan 8.290 nan 0.000 0.525 22 Q N -0.133 119.724 119.800 0.094 0.000 3.258 22 Q HA 0.658 4.900 4.340 -0.164 0.000 0.214 22 Q C 0.056 176.194 176.000 0.230 0.000 0.873 22 Q CA 0.395 56.355 55.803 0.261 0.000 0.752 22 Q CB 0.750 29.566 28.738 0.130 0.000 1.396 22 Q HN 0.889 nan 8.270 nan 0.000 0.463 23 A N 0.365 123.302 122.820 0.195 0.000 3.837 23 A HA 0.412 4.634 4.320 -0.164 0.000 0.159 23 A C 1.061 178.676 177.584 0.052 0.000 1.157 23 A CA -0.185 51.901 52.037 0.082 0.000 0.890 23 A CB -0.276 18.723 19.000 -0.002 0.000 1.553 23 A HN 0.806 nan 8.150 nan 0.000 0.642 24 C N 1.177 120.474 119.300 -0.006 0.000 2.403 24 C HA -0.116 4.246 4.460 -0.164 0.000 0.282 24 C C 2.574 177.542 174.990 -0.037 0.000 1.297 24 C CA 1.178 60.199 59.018 0.005 0.000 1.785 24 C CB -1.452 26.292 27.740 0.007 0.000 1.963 24 C HN 0.862 nan 8.230 nan 0.000 0.507 25 E N 1.511 121.583 120.200 -0.214 0.000 2.187 25 E HA -0.248 4.004 4.350 -0.164 0.000 0.199 25 E C 1.431 177.822 176.600 -0.348 0.000 1.004 25 E CA 1.747 57.935 56.400 -0.353 0.000 0.813 25 E CB -0.775 28.549 29.700 -0.627 0.000 0.736 25 E HN 0.662 nan 8.360 nan 0.000 0.468 26 F N 1.396 121.407 119.950 0.101 0.000 2.615 26 F HA 0.087 4.515 4.527 -0.165 0.000 0.297 26 F C 2.082 177.919 175.800 0.062 0.000 1.124 26 F CA 0.733 58.776 58.000 0.071 0.000 1.451 26 F CB -0.291 38.734 39.000 0.041 0.000 1.103 26 F HN 0.021 nan 8.300 nan 0.000 0.569 27 D N -0.564 119.948 120.400 0.187 0.000 2.120 27 D HA -0.226 4.316 4.640 -0.164 0.000 0.202 27 D C 2.213 178.581 176.300 0.113 0.000 0.972 27 D CA 1.072 55.156 54.000 0.140 0.000 0.837 27 D CB -0.433 40.444 40.800 0.128 0.000 0.989 27 D HN 0.266 nan 8.370 nan 0.000 0.469 28 Y N 1.071 121.379 120.300 0.013 0.000 2.114 28 Y HA -0.234 4.218 4.550 -0.163 0.000 0.282 28 Y C 2.352 178.257 175.900 0.008 0.000 1.165 28 Y CA 2.379 60.474 58.100 -0.009 0.000 1.148 28 Y CB -0.562 37.874 38.460 -0.039 0.000 0.972 28 Y HN -0.062 nan 8.280 nan 0.000 0.504 29 S N 0.095 115.705 115.700 -0.151 0.000 2.357 29 S HA -0.081 4.291 4.470 -0.164 0.000 0.221 29 S C 2.233 176.764 174.600 -0.114 0.000 1.031 29 S CA 1.002 59.082 58.200 -0.201 0.000 0.982 29 S CB -1.105 62.131 63.200 0.059 0.000 0.853 29 S HN 0.739 nan 8.310 nan 0.000 0.458 30 G N 1.656 110.458 108.800 0.003 0.000 2.446 30 G HA2 -0.127 3.734 3.960 -0.164 0.000 0.217 30 G HA3 -0.127 3.734 3.960 -0.164 0.000 0.217 30 G C 1.591 176.474 174.900 -0.028 0.000 1.168 30 G CA 1.022 46.131 45.100 0.016 0.000 0.771 30 G HN 0.569 nan 8.290 nan 0.000 0.551 31 A N 0.300 123.092 122.820 -0.047 0.000 1.883 31 A HA -0.160 4.062 4.320 -0.164 0.000 0.217 31 A C 2.334 179.862 177.584 -0.094 0.000 1.186 31 A CA 2.081 54.086 52.037 -0.053 0.000 0.624 31 A CB -0.566 18.410 19.000 -0.041 0.000 0.822 31 A HN 0.454 nan 8.150 nan 0.000 0.444 32 Q N -0.972 118.715 119.800 -0.189 0.000 2.061 32 Q HA -0.185 4.057 4.340 -0.164 0.000 0.204 32 Q C 2.473 178.405 176.000 -0.113 0.000 0.984 32 Q CA 1.559 57.236 55.803 -0.209 0.000 0.846 32 Q CB -0.378 28.134 28.738 -0.378 0.000 0.902 32 Q HN 0.708 nan 8.270 nan 0.000 0.421 33 A N 0.110 122.878 122.820 -0.087 0.000 1.930 33 A HA -0.180 4.042 4.320 -0.164 0.000 0.217 33 A C 2.364 179.933 177.584 -0.025 0.000 1.175 33 A CA 1.216 53.228 52.037 -0.042 0.000 0.627 33 A CB -0.891 18.095 19.000 -0.023 0.000 0.815 33 A HN 0.473 nan 8.150 nan 0.000 0.443 34 C N -0.638 118.649 119.300 -0.021 0.000 2.413 34 C HA -0.108 4.254 4.460 -0.164 0.000 0.278 34 C C 2.719 177.712 174.990 0.006 0.000 1.224 34 C CA 1.487 60.504 59.018 -0.001 0.000 1.732 34 C CB -1.003 26.739 27.740 0.003 0.000 2.050 34 C HN 0.765 nan 8.230 nan 0.000 0.463 35 K N 0.992 121.387 120.400 -0.009 0.000 2.127 35 K HA -0.223 3.999 4.320 -0.164 0.000 0.208 35 K C 1.926 178.530 176.600 0.006 0.000 1.047 35 K CA 1.947 58.230 56.287 -0.006 0.000 0.927 35 K CB -0.285 32.198 32.500 -0.029 0.000 0.716 35 K HN 0.463 nan 8.250 nan 0.000 0.450 36 A N 0.912 123.730 122.820 -0.003 0.000 1.872 36 A HA -0.046 4.176 4.320 -0.164 0.000 0.214 36 A C 2.100 179.719 177.584 0.057 0.000 1.187 36 A CA 1.171 53.212 52.037 0.007 0.000 0.614 36 A CB -0.488 18.503 19.000 -0.015 0.000 0.826 36 A HN 0.317 nan 8.150 nan 0.000 0.442 37 L N -1.190 120.068 121.223 0.058 0.000 2.141 37 L HA -0.098 4.143 4.340 -0.164 0.000 0.209 37 L C 2.760 179.767 176.870 0.228 0.000 1.094 37 L CA 1.328 56.242 54.840 0.123 0.000 0.763 37 L CB -0.434 41.635 42.059 0.017 0.000 0.908 37 L HN 0.445 nan 8.230 nan 0.000 0.437 38 R N 0.637 121.213 120.500 0.127 0.000 2.066 38 R HA -0.178 4.064 4.340 -0.164 0.000 0.232 38 R C 2.109 178.464 176.300 0.093 0.000 1.131 38 R CA 1.504 57.666 56.100 0.103 0.000 0.955 38 R CB -0.035 30.300 30.300 0.057 0.000 0.851 38 R HN 0.336 nan 8.270 nan 0.000 0.432 39 E N -0.105 120.142 120.200 0.078 0.000 2.160 39 E HA -0.169 4.083 4.350 -0.164 0.000 0.195 39 E C 1.215 177.865 176.600 0.083 0.000 0.991 39 E CA 0.951 57.386 56.400 0.058 0.000 0.810 39 E CB 0.158 29.880 29.700 0.036 0.000 0.742 39 E HN 0.299 nan 8.360 nan 0.000 0.466 40 E N -0.595 119.703 120.200 0.163 0.000 2.476 40 E HA 0.037 4.289 4.350 -0.164 0.000 0.191 40 E C 0.855 177.491 176.600 0.060 0.000 1.064 40 E CA 0.532 57.069 56.400 0.229 0.000 0.866 40 E CB 0.543 30.551 29.700 0.513 0.000 0.952 40 E HN 0.345 nan 8.360 nan 0.000 0.492 41 G N 1.225 110.046 108.800 0.034 0.000 2.198 41 G HA2 -0.307 3.555 3.960 -0.164 0.000 0.257 41 G HA3 -0.307 3.555 3.960 -0.164 0.000 0.257 41 G C -0.266 174.515 174.900 -0.198 0.000 1.042 41 G CA 0.198 45.246 45.100 -0.086 0.000 0.791 41 G HN 0.230 nan 8.290 nan 0.000 0.502 42 Y N -0.915 119.409 120.300 0.040 0.000 2.432 42 Y HA 0.614 5.066 4.550 -0.163 0.000 0.322 42 Y C 1.139 177.055 175.900 0.028 0.000 1.246 42 Y CA -0.939 57.183 58.100 0.036 0.000 1.268 42 Y CB 0.907 39.393 38.460 0.043 0.000 1.276 42 Y HN 0.117 nan 8.280 nan 0.000 0.499 43 R N 1.613 122.232 120.500 0.198 0.000 2.196 43 R HA 0.466 4.708 4.340 -0.164 0.000 0.340 43 R C -1.736 174.637 176.300 0.121 0.000 1.043 43 R CA -0.279 55.893 56.100 0.119 0.000 0.883 43 R CB 0.213 30.567 30.300 0.090 0.000 1.078 43 R HN 0.493 nan 8.270 nan 0.000 0.462 44 V N 7.188 127.157 119.914 0.091 0.000 2.398 44 V HA 0.393 4.415 4.120 -0.164 0.000 0.286 44 V C 0.017 176.144 176.094 0.054 0.000 1.026 44 V CA -0.639 61.703 62.300 0.070 0.000 0.868 44 V CB 1.625 33.484 31.823 0.060 0.000 0.982 44 V HN 0.632 nan 8.190 nan 0.000 0.443 45 I N 6.569 127.177 120.570 0.064 0.000 2.406 45 I HA 0.663 4.735 4.170 -0.164 0.000 0.290 45 I C -0.465 175.705 176.117 0.088 0.000 0.999 45 I CA -0.542 60.812 61.300 0.090 0.000 1.124 45 I CB 1.637 39.710 38.000 0.122 0.000 1.289 45 I HN 0.567 nan 8.210 nan 0.000 0.441 46 L N 5.046 126.332 121.223 0.104 0.000 2.350 46 L HA 0.954 5.196 4.340 -0.164 0.000 0.260 46 L C -1.251 175.703 176.870 0.140 0.000 1.015 46 L CA -0.989 53.904 54.840 0.088 0.000 0.821 46 L CB 2.164 44.253 42.059 0.050 0.000 1.370 46 L HN 0.374 nan 8.230 nan 0.000 0.416 47 V N 2.049 122.021 119.914 0.096 0.000 2.638 47 V HA 0.740 4.762 4.120 -0.164 0.000 0.306 47 V C -1.544 174.582 176.094 0.053 0.000 1.052 47 V CA 0.040 62.400 62.300 0.101 0.000 0.885 47 V CB 1.788 33.646 31.823 0.057 0.000 0.999 47 V HN 0.986 nan 8.190 nan 0.000 0.424 48 N N 3.115 121.845 118.700 0.050 0.000 2.777 48 N HA 0.150 4.792 4.740 -0.164 0.000 0.260 48 N C 0.395 175.919 175.510 0.023 0.000 1.113 48 N CA 0.320 53.388 53.050 0.030 0.000 0.996 48 N CB 2.122 40.629 38.487 0.034 0.000 1.584 48 N HN 0.660 nan 8.380 nan 0.000 0.573 49 S N 1.574 117.280 115.700 0.010 0.000 2.507 49 S HA -0.050 4.322 4.470 -0.164 0.000 0.235 49 S C 0.763 175.361 174.600 -0.005 0.000 0.988 49 S CA 0.257 58.455 58.200 -0.002 0.000 0.944 49 S CB -0.225 62.964 63.200 -0.018 0.000 0.762 49 S HN 0.584 nan 8.310 nan 0.000 0.526 50 N N 3.224 121.924 118.700 0.001 0.000 2.411 50 N HA 0.245 4.887 4.740 -0.164 0.000 0.259 50 N C -1.705 173.803 175.510 -0.003 0.000 1.103 50 N CA -2.354 50.694 53.050 -0.004 0.000 0.954 50 N CB 1.365 39.856 38.487 0.007 0.000 1.085 50 N HN 0.033 nan 8.380 nan 0.000 0.485 51 P HA 0.036 nan 4.420 nan 0.000 0.227 51 P C 0.159 177.381 177.300 -0.131 0.000 1.161 51 P CA 0.447 63.530 63.100 -0.027 0.000 0.788 51 P CB 0.204 31.931 31.700 0.044 0.000 0.822 52 A N 0.551 123.276 122.820 -0.159 0.000 2.416 52 A HA 0.241 4.462 4.320 -0.164 0.000 0.252 52 A C 0.624 178.163 177.584 -0.075 0.000 1.353 52 A CA 0.136 51.991 52.037 -0.304 0.000 0.996 52 A CB -1.414 17.444 19.000 -0.236 0.000 0.961 52 A HN 0.282 nan 8.150 nan 0.000 0.523 53 T N -3.069 111.506 114.554 0.035 0.000 2.855 53 T HA 0.535 4.787 4.350 -0.164 0.000 0.281 53 T C 0.937 175.814 174.700 0.295 0.000 1.007 53 T CA -0.723 61.479 62.100 0.170 0.000 1.009 53 T CB 1.099 70.028 68.868 0.101 0.000 0.983 53 T HN -0.012 nan 8.240 nan 0.000 0.455 54 I N 2.450 123.164 120.570 0.240 0.000 2.394 54 I HA -0.121 3.951 4.170 -0.164 0.000 0.251 54 I C 2.512 178.704 176.117 0.126 0.000 1.136 54 I CA 1.493 62.884 61.300 0.153 0.000 1.425 54 I CB -0.868 37.162 38.000 0.050 0.000 1.079 54 I HN 0.860 nan 8.210 nan 0.000 0.425 55 M N 0.722 120.383 119.600 0.101 0.000 2.358 55 M HA -0.130 4.252 4.480 -0.164 0.000 0.264 55 M C 1.621 177.960 176.300 0.065 0.000 1.064 55 M CA 2.045 57.386 55.300 0.067 0.000 1.093 55 M CB -0.872 31.758 32.600 0.050 0.000 1.401 55 M HN 0.252 nan 8.290 nan 0.000 0.440 56 T N -2.537 112.069 114.554 0.086 0.000 3.107 56 T HA 0.140 4.392 4.350 -0.164 0.000 0.249 56 T C -0.017 174.721 174.700 0.064 0.000 1.096 56 T CA -0.425 61.708 62.100 0.054 0.000 1.012 56 T CB -0.531 68.361 68.868 0.039 0.000 0.977 56 T HN 0.247 nan 8.240 nan 0.000 0.527 57 D N 3.915 124.385 120.400 0.118 0.000 2.458 57 D HA 0.136 4.678 4.640 -0.164 0.000 0.243 57 D C -1.135 175.198 176.300 0.056 0.000 1.146 57 D CA -1.929 52.154 54.000 0.139 0.000 0.877 57 D CB 1.523 42.435 40.800 0.188 0.000 1.176 57 D HN 0.120 nan 8.370 nan 0.000 0.461 58 P HA -0.234 nan 4.420 nan 0.000 0.216 58 P C 0.729 178.025 177.300 -0.006 0.000 1.157 58 P CA 1.596 64.684 63.100 -0.020 0.000 0.880 58 P CB 0.171 31.884 31.700 0.022 0.000 0.791 59 E N -0.973 119.237 120.200 0.017 0.000 2.338 59 E HA -0.090 4.161 4.350 -0.164 0.000 0.197 59 E C 1.892 178.497 176.600 0.007 0.000 1.007 59 E CA 0.884 57.290 56.400 0.009 0.000 0.849 59 E CB -0.831 28.873 29.700 0.006 0.000 0.774 59 E HN 0.182 nan 8.360 nan 0.000 0.506 60 M N 0.254 119.862 119.600 0.012 0.000 2.492 60 M HA 0.249 4.631 4.480 -0.164 0.000 0.262 60 M C 0.743 177.050 176.300 0.011 0.000 1.090 60 M CA 0.499 55.807 55.300 0.014 0.000 1.110 60 M CB -0.524 32.090 32.600 0.023 0.000 1.407 60 M HN 0.199 nan 8.290 nan 0.000 0.470 61 A N -0.672 122.149 122.820 0.002 0.000 2.529 61 A HA 0.501 4.723 4.320 -0.164 0.000 0.296 61 A C -0.127 177.449 177.584 -0.013 0.000 1.205 61 A CA -0.652 51.386 52.037 0.002 0.000 0.671 61 A CB 0.596 19.599 19.000 0.005 0.000 1.301 61 A HN 0.129 nan 8.150 nan 0.000 0.450 62 D N 0.005 120.401 120.400 -0.007 0.000 2.214 62 D HA 0.272 4.814 4.640 -0.164 0.000 0.217 62 D C 0.832 177.101 176.300 -0.053 0.000 0.973 62 D CA 1.749 55.740 54.000 -0.015 0.000 0.880 62 D CB 0.062 40.869 40.800 0.011 0.000 1.031 62 D HN 0.701 nan 8.370 nan 0.000 0.468 63 A N 1.179 123.966 122.820 -0.054 0.000 2.536 63 A HA 0.456 4.678 4.320 -0.164 0.000 0.329 63 A C -0.469 177.001 177.584 -0.190 0.000 1.321 63 A CA -0.439 51.516 52.037 -0.137 0.000 0.804 63 A CB 0.508 19.499 19.000 -0.014 0.000 1.126 63 A HN -0.127 nan 8.150 nan 0.000 0.480 64 T N 2.865 117.245 114.554 -0.290 0.000 2.738 64 T HA 0.385 4.637 4.350 -0.164 0.000 0.298 64 T C -0.949 173.522 174.700 -0.381 0.000 0.962 64 T CA 0.467 62.431 62.100 -0.226 0.000 0.972 64 T CB -0.329 68.446 68.868 -0.156 0.000 0.928 64 T HN 0.399 nan 8.240 nan 0.000 0.474 65 Y N 3.021 123.286 120.300 -0.059 0.000 2.385 65 Y HA 0.429 4.880 4.550 -0.164 0.000 0.341 65 Y C 0.615 176.479 175.900 -0.061 0.000 0.965 65 Y CA -1.034 57.025 58.100 -0.068 0.000 1.180 65 Y CB 0.515 38.937 38.460 -0.063 0.000 1.139 65 Y HN 0.558 nan 8.280 nan 0.000 0.502 66 I N 4.993 125.585 120.570 0.038 0.000 2.318 66 I HA 0.210 4.282 4.170 -0.164 0.000 0.285 66 I C -0.266 175.867 176.117 0.028 0.000 1.127 66 I CA -0.023 61.287 61.300 0.016 0.000 1.243 66 I CB -0.158 37.828 38.000 -0.024 0.000 1.498 66 I HN 0.550 nan 8.210 nan 0.000 0.535 67 E N 5.293 125.522 120.200 0.048 0.000 2.392 67 E HA 0.487 4.739 4.350 -0.164 0.000 0.269 67 E C -2.612 173.982 176.600 -0.010 0.000 0.924 67 E CA -2.077 54.331 56.400 0.014 0.000 0.784 67 E CB 1.912 31.625 29.700 0.022 0.000 1.292 67 E HN 0.009 nan 8.360 nan 0.000 0.447 68 P HA 0.158 nan 4.420 nan 0.000 0.267 68 P C 0.101 177.402 177.300 0.001 0.000 1.205 68 P CA 0.221 63.304 63.100 -0.028 0.000 0.765 68 P CB 0.210 31.879 31.700 -0.051 0.000 0.828 69 I N 3.879 124.456 120.570 0.011 0.000 2.382 69 I HA 0.044 4.116 4.170 -0.164 0.000 0.297 69 I C 1.046 177.192 176.117 0.048 0.000 1.172 69 I CA 0.279 61.588 61.300 0.016 0.000 1.825 69 I CB -0.970 37.028 38.000 -0.003 0.000 1.509 69 I HN 0.380 nan 8.210 nan 0.000 0.842 70 H N 5.615 124.658 119.070 -0.046 0.000 2.538 70 H HA 0.049 4.507 4.556 -0.164 0.000 0.353 70 H C 0.641 175.947 175.328 -0.037 0.000 1.109 70 H CA -0.936 55.090 56.048 -0.037 0.000 1.192 70 H CB 1.420 31.118 29.762 -0.106 0.000 1.555 70 H HN 0.565 nan 8.280 nan 0.000 0.518 71 W N 5.275 126.368 121.300 -0.345 0.000 2.292 71 W HA -0.196 4.365 4.660 -0.164 0.000 0.304 71 W C 0.518 177.065 176.519 0.046 0.000 1.228 71 W CA 1.355 58.618 57.345 -0.137 0.000 1.241 71 W CB -0.541 28.811 29.460 -0.180 0.000 1.142 71 W HN 0.655 nan 8.180 nan 0.000 0.520 72 E N 0.827 120.720 120.200 -0.512 0.000 2.051 72 E HA -0.172 4.080 4.350 -0.164 0.000 0.192 72 E C 2.435 178.859 176.600 -0.293 0.000 0.991 72 E CA 1.941 57.944 56.400 -0.661 0.000 0.799 72 E CB -0.382 28.878 29.700 -0.732 0.000 0.748 72 E HN 0.138 nan 8.360 nan 0.000 0.449 73 V N 1.127 120.945 119.914 -0.160 0.000 2.295 73 V HA -0.238 3.784 4.120 -0.164 0.000 0.246 73 V C 2.424 178.413 176.094 -0.175 0.000 1.049 73 V CA 1.420 63.621 62.300 -0.164 0.000 1.024 73 V CB -0.416 31.337 31.823 -0.117 0.000 0.648 73 V HN 0.129 nan 8.190 nan 0.000 0.447 74 V N 0.293 120.142 119.914 -0.109 0.000 2.380 74 V HA -0.327 3.695 4.120 -0.164 0.000 0.251 74 V C 2.542 178.544 176.094 -0.154 0.000 1.063 74 V CA 2.522 64.751 62.300 -0.119 0.000 1.055 74 V CB -0.947 30.859 31.823 -0.029 0.000 0.657 74 V HN 0.537 nan 8.190 nan 0.000 0.455 75 R N 0.014 120.451 120.500 -0.106 0.000 2.096 75 R HA -0.166 4.076 4.340 -0.164 0.000 0.235 75 R C 2.416 178.556 176.300 -0.267 0.000 1.127 75 R CA 1.254 57.278 56.100 -0.128 0.000 0.968 75 R CB -0.107 30.186 30.300 -0.012 0.000 0.861 75 R HN 0.331 nan 8.270 nan 0.000 0.440 76 K N 0.893 121.148 120.400 -0.241 0.000 2.026 76 K HA -0.119 4.103 4.320 -0.164 0.000 0.208 76 K C 2.113 178.518 176.600 -0.325 0.000 1.048 76 K CA 1.377 57.513 56.287 -0.251 0.000 0.929 76 K CB -0.444 31.930 32.500 -0.211 0.000 0.713 76 K HN 0.312 nan 8.250 nan 0.000 0.439 77 I N 0.827 121.158 120.570 -0.398 0.000 2.151 77 I HA -0.312 3.760 4.170 -0.164 0.000 0.243 77 I C 2.406 178.293 176.117 -0.383 0.000 1.080 77 I CA 1.365 62.339 61.300 -0.543 0.000 1.339 77 I CB -0.377 37.209 38.000 -0.689 0.000 1.039 77 I HN 0.076 nan 8.210 nan 0.000 0.409 78 I N 0.307 120.654 120.570 -0.371 0.000 2.252 78 I HA -0.263 3.809 4.170 -0.164 0.000 0.245 78 I C 2.746 178.519 176.117 -0.572 0.000 1.102 78 I CA 1.159 62.224 61.300 -0.392 0.000 1.385 78 I CB -0.381 37.397 38.000 -0.371 0.000 1.064 78 I HN 0.270 nan 8.210 nan 0.000 0.414 79 E N 1.528 121.257 120.200 -0.785 0.000 2.110 79 E HA -0.291 3.961 4.350 -0.164 0.000 0.193 79 E C 2.063 178.521 176.600 -0.237 0.000 0.988 79 E CA 1.549 57.504 56.400 -0.743 0.000 0.804 79 E CB -0.003 29.411 29.700 -0.477 0.000 0.745 79 E HN 0.457 nan 8.360 nan 0.000 0.458 80 K N 0.068 120.353 120.400 -0.191 0.000 2.076 80 K HA -0.065 4.157 4.320 -0.164 0.000 0.204 80 K C 1.682 178.263 176.600 -0.031 0.000 1.051 80 K CA 1.083 57.326 56.287 -0.072 0.000 0.949 80 K CB 0.133 32.601 32.500 -0.053 0.000 0.726 80 K HN -0.056 nan 8.250 nan 0.000 0.443 81 E N 0.457 120.623 120.200 -0.057 0.000 2.447 81 E HA -0.001 4.251 4.350 -0.164 0.000 0.195 81 E C -0.134 176.471 176.600 0.007 0.000 1.028 81 E CA 0.003 56.407 56.400 0.007 0.000 0.876 81 E CB 0.354 30.087 29.700 0.055 0.000 0.885 81 E HN 0.129 nan 8.360 nan 0.000 0.500 82 R N 1.112 121.597 120.500 -0.026 0.000 3.225 82 R HA -0.130 4.112 4.340 -0.164 0.000 0.245 82 R C -2.461 173.868 176.300 0.048 0.000 0.928 82 R CA 0.345 56.467 56.100 0.036 0.000 0.632 82 R CB -2.010 28.345 30.300 0.092 0.000 1.038 82 R HN 0.266 nan 8.270 nan 0.000 0.461 83 P HA 0.009 nan 4.420 nan 0.000 0.267 83 P C 0.058 177.392 177.300 0.057 0.000 1.200 83 P CA -0.020 63.104 63.100 0.041 0.000 0.772 83 P CB 0.708 32.422 31.700 0.023 0.000 0.855 84 D N 0.278 120.715 120.400 0.061 0.000 2.162 84 D HA 0.093 4.635 4.640 -0.164 0.000 0.203 84 D C 0.813 177.142 176.300 0.049 0.000 0.967 84 D CA 1.175 55.212 54.000 0.062 0.000 0.840 84 D CB 0.294 41.137 40.800 0.072 0.000 0.972 84 D HN 0.510 nan 8.370 nan 0.000 0.482 85 A N -0.302 122.541 122.820 0.038 0.000 2.569 85 A HA 0.619 4.841 4.320 -0.164 0.000 0.290 85 A C -1.478 176.113 177.584 0.013 0.000 1.136 85 A CA -0.567 51.483 52.037 0.022 0.000 0.710 85 A CB 2.253 21.257 19.000 0.007 0.000 1.303 85 A HN -0.064 nan 8.150 nan 0.000 0.413 86 V N 0.661 120.579 119.914 0.007 0.000 2.638 86 V HA 0.686 4.708 4.120 -0.164 0.000 0.306 86 V C -1.854 174.237 176.094 -0.004 0.000 1.052 86 V CA -0.621 61.681 62.300 0.002 0.000 0.885 86 V CB 1.521 33.348 31.823 0.006 0.000 0.999 86 V HN 1.051 nan 8.190 nan 0.000 0.424 87 L N 10.121 131.340 121.223 -0.008 0.000 2.301 87 L HA 0.754 4.996 4.340 -0.164 0.000 0.278 87 L C -2.134 174.733 176.870 -0.005 0.000 1.022 87 L CA -1.519 53.315 54.840 -0.009 0.000 0.854 87 L CB 1.820 43.869 42.059 -0.018 0.000 1.226 87 L HN 0.542 nan 8.230 nan 0.000 0.429 88 P HA 0.140 nan 4.420 nan 0.000 0.274 88 P C 0.411 177.703 177.300 -0.013 0.000 1.352 88 P CA 0.145 63.240 63.100 -0.008 0.000 0.947 88 P CB 0.233 31.932 31.700 -0.002 0.000 1.437 89 T N -4.438 110.115 114.554 -0.001 0.000 3.145 89 T HA 0.285 4.537 4.350 -0.164 0.000 0.255 89 T C 1.008 175.724 174.700 0.027 0.000 1.039 89 T CA -0.088 62.016 62.100 0.007 0.000 0.928 89 T CB -0.412 68.469 68.868 0.021 0.000 1.029 89 T HN -0.122 nan 8.240 nan 0.000 0.554 90 M N 0.823 120.435 119.600 0.019 0.000 2.416 90 M HA 0.401 4.783 4.480 -0.164 0.000 0.337 90 M C 1.135 177.469 176.300 0.057 0.000 1.074 90 M CA -0.017 55.328 55.300 0.075 0.000 0.968 90 M CB 0.990 33.626 32.600 0.060 0.000 1.472 90 M HN 0.421 nan 8.290 nan 0.000 0.539 91 G N 0.012 108.740 108.800 -0.119 0.000 4.379 91 G HA2 0.491 4.353 3.960 -0.164 0.000 0.290 91 G HA3 0.491 4.353 3.960 -0.164 0.000 0.290 91 G C 0.745 175.257 174.900 -0.647 0.000 1.065 91 G CA 0.141 45.075 45.100 -0.278 0.000 0.833 91 G HN 0.564 nan 8.290 nan 0.000 0.512 92 G N 0.799 108.982 108.800 -1.029 0.000 2.547 92 G HA2 -0.369 3.493 3.960 -0.164 0.000 0.271 92 G HA3 -0.369 3.493 3.960 -0.164 0.000 0.271 92 G C 0.961 175.622 174.900 -0.398 0.000 1.209 92 G CA 0.808 45.299 45.100 -1.016 0.000 0.959 92 G HN 0.584 nan 8.290 nan 0.000 0.563 93 Q N -0.979 118.651 119.800 -0.283 0.000 2.123 93 Q HA 0.080 4.322 4.340 -0.164 0.000 0.199 93 Q C 2.912 178.857 176.000 -0.092 0.000 0.966 93 Q CA 2.713 58.441 55.803 -0.125 0.000 0.845 93 Q CB -0.723 27.970 28.738 -0.075 0.000 0.907 93 Q HN 0.707 nan 8.270 nan 0.000 0.439 94 T N 0.279 114.753 114.554 -0.133 0.000 2.665 94 T HA -0.250 4.002 4.350 -0.164 0.000 0.268 94 T C 1.652 176.302 174.700 -0.082 0.000 1.035 94 T CA 1.650 63.694 62.100 -0.094 0.000 1.151 94 T CB -0.603 68.202 68.868 -0.105 0.000 0.862 94 T HN 0.484 nan 8.240 nan 0.000 0.438 95 A N 0.950 123.699 122.820 -0.119 0.000 1.898 95 A HA 0.037 4.259 4.320 -0.164 0.000 0.216 95 A C 2.304 179.861 177.584 -0.045 0.000 1.181 95 A CA 1.180 53.168 52.037 -0.082 0.000 0.620 95 A CB -0.743 18.200 19.000 -0.095 0.000 0.819 95 A HN 0.508 nan 8.150 nan 0.000 0.442 96 L N -0.319 120.881 121.223 -0.038 0.000 2.141 96 L HA -0.164 4.077 4.340 -0.164 0.000 0.209 96 L C 2.194 179.103 176.870 0.064 0.000 1.094 96 L CA 1.024 55.881 54.840 0.027 0.000 0.763 96 L CB -0.725 41.366 42.059 0.053 0.000 0.908 96 L HN 0.339 nan 8.230 nan 0.000 0.437 97 N N -0.267 118.459 118.700 0.043 0.000 2.106 97 N HA -0.180 4.462 4.740 -0.164 0.000 0.188 97 N C 1.947 177.425 175.510 -0.053 0.000 1.029 97 N CA 1.442 54.496 53.050 0.006 0.000 0.848 97 N CB -0.846 37.637 38.487 -0.007 0.000 1.007 97 N HN 0.318 nan 8.380 nan 0.000 0.423 98 C N 1.336 120.612 119.300 -0.039 0.000 2.393 98 C HA -0.093 4.269 4.460 -0.164 0.000 0.276 98 C C 2.831 177.801 174.990 -0.034 0.000 1.215 98 C CA 1.432 60.430 59.018 -0.033 0.000 1.743 98 C CB -1.276 26.454 27.740 -0.016 0.000 2.044 98 C HN 0.499 nan 8.230 nan 0.000 0.464 99 A N 0.007 122.814 122.820 -0.022 0.000 1.903 99 A HA -0.174 4.048 4.320 -0.164 0.000 0.219 99 A C 1.957 179.518 177.584 -0.038 0.000 1.191 99 A CA 2.252 54.279 52.037 -0.016 0.000 0.638 99 A CB -0.779 18.219 19.000 -0.002 0.000 0.823 99 A HN 0.592 nan 8.150 nan 0.000 0.451 100 L N -0.772 120.420 121.223 -0.052 0.000 2.217 100 L HA -0.065 4.177 4.340 -0.164 0.000 0.211 100 L C 2.331 179.099 176.870 -0.170 0.000 1.107 100 L CA 1.929 56.712 54.840 -0.094 0.000 0.783 100 L CB -0.570 41.433 42.059 -0.094 0.000 0.919 100 L HN 0.538 nan 8.230 nan 0.000 0.442 101 E N 0.051 120.131 120.200 -0.201 0.000 2.046 101 E HA -0.151 4.100 4.350 -0.164 0.000 0.190 101 E C 2.203 178.600 176.600 -0.338 0.000 0.982 101 E CA 1.146 57.352 56.400 -0.324 0.000 0.800 101 E CB -0.243 29.254 29.700 -0.337 0.000 0.756 101 E HN 0.352 nan 8.360 nan 0.000 0.449 102 L N 0.574 121.700 121.223 -0.163 0.000 1.990 102 L HA -0.256 3.986 4.340 -0.164 0.000 0.213 102 L C 2.674 179.489 176.870 -0.092 0.000 1.072 102 L CA 2.082 56.885 54.840 -0.062 0.000 0.755 102 L CB -0.644 41.426 42.059 0.018 0.000 0.889 102 L HN 0.307 nan 8.230 nan 0.000 0.432 103 E N 0.374 120.521 120.200 -0.087 0.000 2.058 103 E HA -0.286 3.966 4.350 -0.164 0.000 0.194 103 E C 2.333 178.865 176.600 -0.114 0.000 0.997 103 E CA 1.469 57.825 56.400 -0.074 0.000 0.801 103 E CB -0.222 29.444 29.700 -0.057 0.000 0.746 103 E HN 0.199 nan 8.360 nan 0.000 0.450 104 R N -0.362 120.032 120.500 -0.176 0.000 2.081 104 R HA -0.109 4.133 4.340 -0.164 0.000 0.235 104 R C 1.992 178.150 176.300 -0.237 0.000 1.131 104 R CA 1.539 57.517 56.100 -0.203 0.000 0.960 104 R CB -0.053 30.095 30.300 -0.254 0.000 0.856 104 R HN 0.301 nan 8.270 nan 0.000 0.436 105 Q N -0.644 118.946 119.800 -0.349 0.000 2.515 105 Q HA 0.007 4.248 4.340 -0.164 0.000 0.212 105 Q C 1.000 176.914 176.000 -0.144 0.000 0.970 105 Q CA 1.005 56.576 55.803 -0.386 0.000 0.941 105 Q CB 0.429 28.640 28.738 -0.878 0.000 0.998 105 Q HN 0.684 nan 8.270 nan 0.000 0.518 106 G N -0.018 108.725 108.800 -0.095 0.000 2.148 106 G HA2 -0.299 3.563 3.960 -0.164 0.000 0.254 106 G HA3 -0.299 3.563 3.960 -0.164 0.000 0.254 106 G C 0.957 175.882 174.900 0.042 0.000 0.981 106 G CA 0.483 45.569 45.100 -0.025 0.000 0.670 106 G HN 0.313 nan 8.290 nan 0.000 0.528 107 V N 0.583 120.547 119.914 0.084 0.000 2.515 107 V HA -0.118 3.904 4.120 -0.164 0.000 0.250 107 V C 2.861 179.084 176.094 0.215 0.000 1.058 107 V CA 2.188 64.614 62.300 0.209 0.000 1.064 107 V CB -0.423 31.545 31.823 0.242 0.000 0.675 107 V HN 0.525 nan 8.190 nan 0.000 0.461 108 L N -0.042 121.250 121.223 0.115 0.000 2.156 108 L HA -0.132 4.110 4.340 -0.164 0.000 0.208 108 L C 2.527 179.452 176.870 0.091 0.000 1.095 108 L CA 1.721 56.622 54.840 0.101 0.000 0.770 108 L CB -0.539 41.550 42.059 0.050 0.000 0.914 108 L HN 0.430 nan 8.230 nan 0.000 0.439 109 E N 0.841 121.075 120.200 0.057 0.000 2.046 109 E HA -0.267 3.985 4.350 -0.164 0.000 0.190 109 E C 2.117 178.715 176.600 -0.003 0.000 0.982 109 E CA 1.106 57.520 56.400 0.022 0.000 0.800 109 E CB 0.003 29.703 29.700 0.000 0.000 0.756 109 E HN 0.400 nan 8.360 nan 0.000 0.449 110 E N -0.750 119.438 120.200 -0.021 0.000 2.130 110 E HA -0.190 4.062 4.350 -0.164 0.000 0.196 110 E C 0.975 177.353 176.600 -0.369 0.000 0.998 110 E CA 1.138 57.423 56.400 -0.192 0.000 0.806 110 E CB -0.030 29.564 29.700 -0.176 0.000 0.738 110 E HN 0.350 nan 8.360 nan 0.000 0.459 111 F N -0.728 119.231 119.950 0.015 0.000 2.653 111 F HA 0.310 4.739 4.527 -0.163 0.000 0.304 111 F C 1.091 176.899 175.800 0.013 0.000 1.092 111 F CA 0.272 58.280 58.000 0.014 0.000 1.279 111 F CB 1.126 40.135 39.000 0.015 0.000 1.044 111 F HN 0.032 nan 8.300 nan 0.000 0.564 112 G N 1.925 110.789 108.800 0.106 0.000 2.393 112 G HA2 -0.251 3.611 3.960 -0.164 0.000 0.299 112 G HA3 -0.251 3.611 3.960 -0.164 0.000 0.299 112 G C -0.192 174.758 174.900 0.083 0.000 0.990 112 G CA 0.072 45.213 45.100 0.068 0.000 1.118 112 G HN 0.160 nan 8.290 nan 0.000 0.513 113 V N 0.637 120.608 119.914 0.095 0.000 2.432 113 V HA 0.497 4.519 4.120 -0.164 0.000 0.275 113 V C 0.934 177.057 176.094 0.049 0.000 1.043 113 V CA -0.101 62.245 62.300 0.075 0.000 0.925 113 V CB 1.609 33.479 31.823 0.079 0.000 0.985 113 V HN 0.397 nan 8.190 nan 0.000 0.466 114 T N 6.420 120.997 114.554 0.038 0.000 2.799 114 T HA 0.404 4.656 4.350 -0.164 0.000 0.286 114 T C -0.078 174.633 174.700 0.018 0.000 0.973 114 T CA -0.249 61.867 62.100 0.026 0.000 1.035 114 T CB 0.922 69.804 68.868 0.024 0.000 0.932 114 T HN 0.658 nan 8.240 nan 0.000 0.469 115 M N 5.976 125.585 119.600 0.015 0.000 2.108 115 M HA 0.454 4.836 4.480 -0.164 0.000 0.347 115 M C -0.572 175.733 176.300 0.007 0.000 1.326 115 M CA -0.428 54.878 55.300 0.011 0.000 1.126 115 M CB -0.225 32.383 32.600 0.012 0.000 1.606 115 M HN 0.631 nan 8.290 nan 0.000 0.462 116 I N 1.212 121.782 120.570 0.001 0.000 2.982 116 I HA 0.926 4.998 4.170 -0.164 0.000 0.312 116 I C 0.817 176.934 176.117 0.000 0.000 1.041 116 I CA -0.238 61.060 61.300 -0.003 0.000 1.053 116 I CB 1.715 39.704 38.000 -0.019 0.000 1.248 116 I HN 0.822 nan 8.210 nan 0.000 0.471 117 G N 2.593 111.396 108.800 0.005 0.000 2.640 117 G HA2 -0.074 3.788 3.960 -0.164 0.000 0.226 117 G HA3 -0.074 3.788 3.960 -0.164 0.000 0.226 117 G C 0.211 175.122 174.900 0.018 0.000 1.222 117 G CA 0.347 45.455 45.100 0.013 0.000 0.729 117 G HN 1.893 nan 8.290 nan 0.000 0.516 118 A N -0.596 122.233 122.820 0.015 0.000 2.532 118 A HA 0.819 5.041 4.320 -0.164 0.000 0.296 118 A C -0.024 177.571 177.584 0.018 0.000 1.058 118 A CA 1.033 53.080 52.037 0.018 0.000 0.729 118 A CB 0.658 19.669 19.000 0.018 0.000 1.285 118 A HN 2.000 nan 8.150 nan 0.000 0.396 119 T N 0.076 114.642 114.554 0.020 0.000 2.868 119 T HA 0.532 4.784 4.350 -0.164 0.000 0.292 119 T C 1.526 176.243 174.700 0.027 0.000 1.028 119 T CA 0.451 62.563 62.100 0.020 0.000 1.059 119 T CB 1.221 70.101 68.868 0.019 0.000 0.991 119 T HN 1.906 nan 8.240 nan 0.000 0.531 120 A N 1.582 124.417 122.820 0.026 0.000 1.917 120 A HA -0.133 4.089 4.320 -0.164 0.000 0.219 120 A C 2.038 179.652 177.584 0.050 0.000 1.182 120 A CA 2.406 54.464 52.037 0.035 0.000 0.633 120 A CB -1.432 17.578 19.000 0.017 0.000 0.819 120 A HN 1.050 nan 8.150 nan 0.000 0.448 121 D N -0.700 119.722 120.400 0.037 0.000 2.097 121 D HA -0.001 4.541 4.640 -0.164 0.000 0.197 121 D C 2.079 178.407 176.300 0.047 0.000 0.984 121 D CA 1.651 55.676 54.000 0.041 0.000 0.826 121 D CB -0.230 40.586 40.800 0.027 0.000 0.973 121 D HN 0.352 nan 8.370 nan 0.000 0.460 122 A N 0.265 123.108 122.820 0.037 0.000 1.883 122 A HA -0.168 4.054 4.320 -0.164 0.000 0.217 122 A C 2.421 180.025 177.584 0.034 0.000 1.186 122 A CA 1.560 53.618 52.037 0.034 0.000 0.624 122 A CB -0.972 18.045 19.000 0.027 0.000 0.822 122 A HN 0.399 nan 8.150 nan 0.000 0.444 123 I N -0.436 120.157 120.570 0.039 0.000 2.286 123 I HA -0.249 3.823 4.170 -0.164 0.000 0.248 123 I C 2.221 178.360 176.117 0.037 0.000 1.115 123 I CA 1.979 63.297 61.300 0.029 0.000 1.392 123 I CB -0.365 37.675 38.000 0.065 0.000 1.065 123 I HN 0.473 nan 8.210 nan 0.000 0.418 124 D N 0.725 121.200 120.400 0.126 0.000 2.224 124 D HA -0.205 4.337 4.640 -0.164 0.000 0.205 124 D C 2.176 178.534 176.300 0.096 0.000 0.965 124 D CA 0.919 55.047 54.000 0.213 0.000 0.852 124 D CB 0.051 40.984 40.800 0.222 0.000 0.947 124 D HN 0.088 nan 8.370 nan 0.000 0.494 125 K N -0.557 119.884 120.400 0.068 0.000 2.217 125 K HA -0.001 4.221 4.320 -0.164 0.000 0.202 125 K C 1.739 178.404 176.600 0.108 0.000 1.051 125 K CA 0.986 57.318 56.287 0.075 0.000 0.952 125 K CB 0.028 32.564 32.500 0.060 0.000 0.736 125 K HN 0.173 nan 8.250 nan 0.000 0.453 126 A N 0.617 123.461 122.820 0.041 0.000 1.956 126 A HA 0.012 4.233 4.320 -0.164 0.000 0.212 126 A C 1.683 179.130 177.584 -0.228 0.000 1.188 126 A CA 0.555 52.598 52.037 0.010 0.000 0.675 126 A CB -0.049 18.904 19.000 -0.078 0.000 0.845 126 A HN 0.193 nan 8.150 nan 0.000 0.455 127 E N 0.646 120.614 120.200 -0.387 0.000 2.158 127 E HA -0.076 4.176 4.350 -0.164 0.000 0.191 127 E C -0.102 176.155 176.600 -0.572 0.000 0.982 127 E CA 0.364 56.300 56.400 -0.773 0.000 0.823 127 E CB -0.165 28.484 29.700 -1.752 0.000 0.766 127 E HN 0.548 nan 8.360 nan 0.000 0.468 128 D N 1.246 121.514 120.400 -0.220 0.000 2.352 128 D HA 0.013 4.555 4.640 -0.164 0.000 0.245 128 D C 0.980 177.307 176.300 0.045 0.000 1.224 128 D CA -0.129 53.903 54.000 0.054 0.000 0.879 128 D CB 0.559 41.468 40.800 0.181 0.000 1.057 128 D HN -0.123 nan 8.370 nan 0.000 0.491 129 R N 3.451 123.967 120.500 0.026 0.000 2.127 129 R HA -0.155 4.086 4.340 -0.164 0.000 0.238 129 R C 2.053 178.424 176.300 0.118 0.000 1.134 129 R CA 0.662 56.793 56.100 0.051 0.000 0.975 129 R CB -0.211 30.089 30.300 -0.000 0.000 0.865 129 R HN 0.502 nan 8.270 nan 0.000 0.447 130 R N 1.433 121.990 120.500 0.096 0.000 2.070 130 R HA -0.095 4.147 4.340 -0.164 0.000 0.233 130 R C 2.317 178.666 176.300 0.081 0.000 1.137 130 R CA 1.431 57.581 56.100 0.084 0.000 0.945 130 R CB -0.027 30.329 30.300 0.094 0.000 0.845 130 R HN 0.177 nan 8.270 nan 0.000 0.430 131 R N -0.588 119.969 120.500 0.095 0.000 2.081 131 R HA -0.153 4.089 4.340 -0.164 0.000 0.235 131 R C 2.266 178.607 176.300 0.068 0.000 1.131 131 R CA 1.585 57.728 56.100 0.072 0.000 0.960 131 R CB -0.580 29.767 30.300 0.078 0.000 0.856 131 R HN 0.242 nan 8.270 nan 0.000 0.436 132 F N 2.313 122.244 119.950 -0.032 0.000 2.171 132 F HA -0.214 4.216 4.527 -0.162 0.000 0.300 132 F C 1.836 177.611 175.800 -0.042 0.000 1.090 132 F CA 1.821 59.791 58.000 -0.049 0.000 1.293 132 F CB -0.237 38.718 39.000 -0.075 0.000 1.013 132 F HN -0.056 nan 8.300 nan 0.000 0.486 133 D N -0.367 120.067 120.400 0.057 0.000 2.144 133 D HA -0.155 4.386 4.640 -0.164 0.000 0.199 133 D C 2.243 178.467 176.300 -0.127 0.000 0.984 133 D CA 1.394 55.369 54.000 -0.042 0.000 0.834 133 D CB -0.118 40.703 40.800 0.035 0.000 0.955 133 D HN 0.186 nan 8.370 nan 0.000 0.465 134 V N 0.636 120.500 119.914 -0.084 0.000 2.295 134 V HA -0.208 3.814 4.120 -0.164 0.000 0.246 134 V C 2.535 178.552 176.094 -0.129 0.000 1.049 134 V CA 1.741 63.994 62.300 -0.079 0.000 1.024 134 V CB -0.903 30.898 31.823 -0.037 0.000 0.648 134 V HN 0.299 nan 8.190 nan 0.000 0.447 135 A N -0.486 122.223 122.820 -0.185 0.000 1.940 135 A HA -0.239 3.983 4.320 -0.164 0.000 0.219 135 A C 2.215 179.649 177.584 -0.250 0.000 1.176 135 A CA 2.033 53.946 52.037 -0.207 0.000 0.631 135 A CB -0.477 18.370 19.000 -0.255 0.000 0.814 135 A HN 0.410 nan 8.150 nan 0.000 0.446 136 M N -0.402 118.972 119.600 -0.376 0.000 2.159 136 M HA -0.122 4.260 4.480 -0.164 0.000 0.263 136 M C 2.032 178.236 176.300 -0.160 0.000 1.063 136 M CA 1.717 56.827 55.300 -0.316 0.000 1.110 136 M CB -1.158 31.205 32.600 -0.395 0.000 1.374 136 M HN 0.521 nan 8.290 nan 0.000 0.411 137 K N 0.602 120.922 120.400 -0.133 0.000 2.009 137 K HA -0.223 3.999 4.320 -0.164 0.000 0.210 137 K C 2.113 178.675 176.600 -0.064 0.000 1.049 137 K CA 1.726 57.966 56.287 -0.078 0.000 0.929 137 K CB -0.156 32.308 32.500 -0.060 0.000 0.714 137 K HN 0.223 nan 8.250 nan 0.000 0.440 138 K N 1.328 121.684 120.400 -0.074 0.000 2.074 138 K HA -0.170 4.051 4.320 -0.164 0.000 0.209 138 K C 1.864 178.433 176.600 -0.051 0.000 1.048 138 K CA 2.018 58.271 56.287 -0.057 0.000 0.926 138 K CB -0.331 32.135 32.500 -0.057 0.000 0.713 138 K HN 0.444 nan 8.250 nan 0.000 0.444 139 I N -3.009 117.521 120.570 -0.065 0.000 3.735 139 I HA 0.298 4.370 4.170 -0.164 0.000 0.310 139 I C 0.724 176.820 176.117 -0.034 0.000 1.270 139 I CA 0.404 61.676 61.300 -0.047 0.000 1.207 139 I CB 0.035 38.004 38.000 -0.051 0.000 1.013 139 I HN 0.312 nan 8.210 nan 0.000 0.452 140 G N 1.934 110.713 108.800 -0.035 0.000 2.160 140 G HA2 -0.241 3.621 3.960 -0.164 0.000 0.251 140 G HA3 -0.241 3.621 3.960 -0.164 0.000 0.251 140 G C -0.082 174.812 174.900 -0.009 0.000 1.008 140 G CA 0.294 45.382 45.100 -0.019 0.000 0.724 140 G HN 0.450 nan 8.290 nan 0.000 0.514 141 L N -0.136 121.076 121.223 -0.017 0.000 2.334 141 L HA 0.595 4.837 4.340 -0.164 0.000 0.275 141 L C 0.693 177.570 176.870 0.012 0.000 1.036 141 L CA -0.902 53.947 54.840 0.014 0.000 0.807 141 L CB 1.606 43.681 42.059 0.027 0.000 1.231 141 L HN 0.273 nan 8.230 nan 0.000 0.438 142 E N 1.120 121.350 120.200 0.049 0.000 2.331 142 E HA 0.321 4.573 4.350 -0.164 0.000 0.272 142 E C -0.805 175.828 176.600 0.056 0.000 1.036 142 E CA -0.372 56.059 56.400 0.052 0.000 0.864 142 E CB 1.132 30.884 29.700 0.086 0.000 1.035 142 E HN 0.654 nan 8.360 nan 0.000 0.408 143 T N 0.147 114.719 114.554 0.030 0.000 2.916 143 T HA 0.723 4.975 4.350 -0.164 0.000 0.292 143 T C -0.198 174.503 174.700 0.001 0.000 1.064 143 T CA -0.856 61.259 62.100 0.025 0.000 1.011 143 T CB 1.513 70.392 68.868 0.019 0.000 1.152 143 T HN 0.500 nan 8.240 nan 0.000 0.510 144 A N 1.340 124.142 122.820 -0.031 0.000 2.386 144 A HA 0.514 4.736 4.320 -0.164 0.000 0.248 144 A C 0.677 178.232 177.584 -0.048 0.000 1.082 144 A CA -0.611 51.384 52.037 -0.071 0.000 0.789 144 A CB -0.017 18.909 19.000 -0.123 0.000 1.025 144 A HN 0.865 nan 8.150 nan 0.000 0.490 145 R N 0.587 121.056 120.500 -0.053 0.000 2.484 145 R HA 0.261 4.503 4.340 -0.164 0.000 0.293 145 R C -0.085 176.186 176.300 -0.047 0.000 1.023 145 R CA 1.013 57.087 56.100 -0.043 0.000 1.037 145 R CB 0.094 30.365 30.300 -0.047 0.000 0.951 145 R HN 0.963 nan 8.270 nan 0.000 0.418 146 S N 1.237 116.916 115.700 -0.035 0.000 2.705 146 S HA 0.795 5.166 4.470 -0.164 0.000 0.280 146 S C -0.566 174.017 174.600 -0.028 0.000 1.174 146 S CA -0.837 57.344 58.200 -0.032 0.000 0.823 146 S CB 2.188 65.375 63.200 -0.022 0.000 1.162 146 S HN 0.627 nan 8.310 nan 0.000 0.487 147 G N 0.005 108.789 108.800 -0.026 0.000 2.719 147 G HA2 0.603 4.464 3.960 -0.164 0.000 0.298 147 G HA3 0.603 4.464 3.960 -0.164 0.000 0.298 147 G C -1.296 173.580 174.900 -0.040 0.000 1.411 147 G CA -0.676 44.407 45.100 -0.027 0.000 0.991 147 G HN 0.616 nan 8.290 nan 0.000 0.509 148 I N 0.989 121.523 120.570 -0.060 0.000 2.499 148 I HA 0.648 4.720 4.170 -0.164 0.000 0.296 148 I C 0.489 176.472 176.117 -0.222 0.000 0.992 148 I CA -0.454 60.765 61.300 -0.136 0.000 1.297 148 I CB 1.566 39.496 38.000 -0.116 0.000 1.410 148 I HN 0.643 nan 8.210 nan 0.000 0.507 149 A N 4.722 127.326 122.820 -0.361 0.000 2.520 149 A HA 0.642 4.864 4.320 -0.164 0.000 0.298 149 A C -0.764 176.499 177.584 -0.534 0.000 1.051 149 A CA -0.442 51.396 52.037 -0.333 0.000 0.690 149 A CB 0.936 19.872 19.000 -0.107 0.000 1.281 149 A HN 0.865 nan 8.150 nan 0.000 0.402 150 H N 0.082 119.164 119.070 0.019 0.000 3.233 150 H HA 0.292 4.749 4.556 -0.164 0.000 0.263 150 H C 0.351 175.686 175.328 0.013 0.000 1.168 150 H CA 0.788 56.844 56.048 0.013 0.000 1.159 150 H CB 1.169 30.938 29.762 0.011 0.000 1.593 150 H HN 0.768 nan 8.280 nan 0.000 0.580 151 T N -3.060 111.543 114.554 0.083 0.000 2.883 151 T HA 0.195 4.447 4.350 -0.164 0.000 0.301 151 T C 0.838 175.567 174.700 0.048 0.000 1.158 151 T CA -0.954 61.186 62.100 0.065 0.000 1.007 151 T CB 2.002 70.914 68.868 0.072 0.000 1.186 151 T HN -0.042 nan 8.240 nan 0.000 0.499 152 M N 1.379 121.008 119.600 0.049 0.000 2.108 152 M HA -0.025 4.357 4.480 -0.164 0.000 0.261 152 M C 2.130 178.489 176.300 0.098 0.000 1.066 152 M CA 2.460 57.799 55.300 0.065 0.000 1.107 152 M CB -1.022 31.616 32.600 0.063 0.000 1.356 152 M HN 0.944 nan 8.290 nan 0.000 0.406 153 E N -0.242 120.003 120.200 0.076 0.000 2.077 153 E HA -0.233 4.019 4.350 -0.164 0.000 0.193 153 E C 1.825 178.466 176.600 0.068 0.000 0.989 153 E CA 2.057 58.500 56.400 0.071 0.000 0.800 153 E CB -0.477 29.255 29.700 0.052 0.000 0.746 153 E HN 0.719 nan 8.360 nan 0.000 0.452 154 E N 0.025 120.262 120.200 0.060 0.000 2.110 154 E HA -0.176 4.075 4.350 -0.164 0.000 0.193 154 E C 2.070 178.707 176.600 0.061 0.000 0.988 154 E CA 0.897 57.325 56.400 0.046 0.000 0.804 154 E CB -0.187 29.533 29.700 0.034 0.000 0.745 154 E HN 0.477 nan 8.360 nan 0.000 0.458 155 A N 1.147 124.027 122.820 0.099 0.000 1.858 155 A HA -0.177 4.045 4.320 -0.164 0.000 0.216 155 A C 2.177 179.949 177.584 0.313 0.000 1.190 155 A CA 1.082 53.239 52.037 0.200 0.000 0.617 155 A CB -0.751 18.346 19.000 0.162 0.000 0.827 155 A HN 0.149 nan 8.150 nan 0.000 0.443 156 L N -0.578 120.819 121.223 0.291 0.000 2.081 156 L HA -0.277 3.965 4.340 -0.164 0.000 0.212 156 L C 3.044 179.885 176.870 -0.049 0.000 1.080 156 L CA 1.216 56.131 54.840 0.125 0.000 0.754 156 L CB -0.527 41.601 42.059 0.115 0.000 0.893 156 L HN 0.460 nan 8.230 nan 0.000 0.433 157 A N -0.553 122.268 122.820 0.002 0.000 1.898 157 A HA -0.133 4.089 4.320 -0.164 0.000 0.216 157 A C 2.335 179.874 177.584 -0.075 0.000 1.181 157 A CA 1.753 53.767 52.037 -0.039 0.000 0.620 157 A CB -0.789 18.207 19.000 -0.007 0.000 0.819 157 A HN 0.181 nan 8.150 nan 0.000 0.442 158 V N -0.037 119.854 119.914 -0.039 0.000 2.343 158 V HA -0.243 3.779 4.120 -0.164 0.000 0.247 158 V C 3.055 179.057 176.094 -0.154 0.000 1.051 158 V CA 1.855 64.119 62.300 -0.059 0.000 1.036 158 V CB -1.269 30.551 31.823 -0.006 0.000 0.654 158 V HN 0.612 nan 8.190 nan 0.000 0.451 159 A N 0.167 122.838 122.820 -0.248 0.000 1.940 159 A HA -0.180 4.042 4.320 -0.164 0.000 0.219 159 A C 2.424 179.668 177.584 -0.567 0.000 1.176 159 A CA 2.172 53.857 52.037 -0.586 0.000 0.631 159 A CB -0.785 17.460 19.000 -1.258 0.000 0.814 159 A HN 0.598 nan 8.150 nan 0.000 0.446 160 A N -0.399 122.190 122.820 -0.385 0.000 1.972 160 A HA -0.189 4.033 4.320 -0.164 0.000 0.219 160 A C 1.848 179.297 177.584 -0.226 0.000 1.169 160 A CA 2.176 54.039 52.037 -0.289 0.000 0.635 160 A CB -0.536 18.358 19.000 -0.176 0.000 0.810 160 A HN 0.546 nan 8.150 nan 0.000 0.446 161 D N -0.568 119.717 120.400 -0.192 0.000 2.137 161 D HA -0.096 4.445 4.640 -0.164 0.000 0.202 161 D C 1.848 178.058 176.300 -0.151 0.000 0.970 161 D CA 1.818 55.733 54.000 -0.140 0.000 0.837 161 D CB 0.015 40.754 40.800 -0.101 0.000 0.981 161 D HN 0.378 nan 8.370 nan 0.000 0.475 162 V N -3.074 116.724 119.914 -0.193 0.000 3.590 162 V HA 0.461 4.483 4.120 -0.164 0.000 0.265 162 V C 1.157 177.125 176.094 -0.211 0.000 1.239 162 V CA 0.504 62.701 62.300 -0.172 0.000 1.117 162 V CB -0.615 31.128 31.823 -0.133 0.000 0.818 162 V HN 0.287 nan 8.190 nan 0.000 0.451 163 G N 0.411 109.007 108.800 -0.341 0.000 2.880 163 G HA2 -0.214 3.648 3.960 -0.164 0.000 0.617 163 G HA3 -0.214 3.648 3.960 -0.164 0.000 0.617 163 G C -0.714 173.940 174.900 -0.410 0.000 1.493 163 G CA -0.081 44.785 45.100 -0.390 0.000 0.916 163 G HN 0.553 nan 8.290 nan 0.000 0.553 164 F N 1.593 121.496 119.950 -0.077 0.000 2.404 164 F HA 0.550 4.980 4.527 -0.163 0.000 0.339 164 F C -0.843 174.948 175.800 -0.016 0.000 1.105 164 F CA -1.437 56.526 58.000 -0.060 0.000 1.087 164 F CB 1.678 40.659 39.000 -0.032 0.000 1.143 164 F HN 0.433 nan 8.300 nan 0.000 0.491 165 P HA 0.383 nan 4.420 nan 0.000 0.279 165 P C -1.200 176.115 177.300 0.025 0.000 1.252 165 P CA -0.524 62.630 63.100 0.090 0.000 0.811 165 P CB 1.216 32.800 31.700 -0.192 0.000 1.035 166 C N -0.136 119.196 119.300 0.053 0.000 2.994 166 C HA 0.776 5.138 4.460 -0.164 0.000 0.304 166 C C -0.541 174.453 174.990 0.008 0.000 1.273 166 C CA -0.944 58.085 59.018 0.018 0.000 1.537 166 C CB 0.223 27.969 27.740 0.010 0.000 2.001 166 C HN 0.408 nan 8.230 nan 0.000 0.471 167 I N 1.831 122.394 120.570 -0.012 0.000 2.377 167 I HA 0.529 4.601 4.170 -0.164 0.000 0.293 167 I C -0.209 175.908 176.117 0.001 0.000 0.987 167 I CA -0.348 60.938 61.300 -0.023 0.000 1.185 167 I CB 1.328 39.297 38.000 -0.052 0.000 1.341 167 I HN 0.575 nan 8.210 nan 0.000 0.455 168 I N 6.764 127.327 120.570 -0.012 0.000 2.354 168 I HA 0.463 4.535 4.170 -0.164 0.000 0.292 168 I C -0.093 175.998 176.117 -0.043 0.000 0.989 168 I CA -0.325 60.954 61.300 -0.034 0.000 1.188 168 I CB 0.757 38.702 38.000 -0.093 0.000 1.342 168 I HN 0.365 nan 8.210 nan 0.000 0.457 169 R N 6.909 127.383 120.500 -0.044 0.000 2.468 169 R HA 0.412 4.654 4.340 -0.164 0.000 0.302 169 R C -2.673 173.599 176.300 -0.045 0.000 1.041 169 R CA -1.787 54.286 56.100 -0.045 0.000 0.899 169 R CB 1.589 31.858 30.300 -0.051 0.000 1.167 169 R HN 0.232 nan 8.270 nan 0.000 0.483 170 P HA 0.068 nan 4.420 nan 0.000 0.272 170 P C -0.365 176.929 177.300 -0.010 0.000 1.223 170 P CA -0.169 62.919 63.100 -0.020 0.000 0.784 170 P CB 0.845 32.537 31.700 -0.012 0.000 0.923 171 S N 1.398 117.119 115.700 0.035 0.000 2.565 171 S HA 0.338 4.710 4.470 -0.164 0.000 0.274 171 S C -0.081 174.622 174.600 0.172 0.000 1.309 171 S CA -0.048 58.192 58.200 0.067 0.000 1.043 171 S CB -0.868 62.434 63.200 0.171 0.000 0.939 171 S HN 0.424 nan 8.310 nan 0.000 0.504 172 F N 0.421 120.345 119.950 -0.042 0.000 3.058 172 F HA -0.216 4.213 4.527 -0.164 0.000 0.295 172 F C 0.768 176.537 175.800 -0.051 0.000 0.875 172 F CA 0.860 58.832 58.000 -0.046 0.000 1.150 172 F CB -1.979 36.996 39.000 -0.040 0.000 1.175 172 F HN 0.641 nan 8.300 nan 0.000 0.599 173 T N -1.629 112.930 114.554 0.009 0.000 2.868 173 T HA 0.860 5.112 4.350 -0.164 0.000 0.306 173 T C -0.344 174.330 174.700 -0.043 0.000 1.224 173 T CA -0.236 61.860 62.100 -0.006 0.000 1.012 173 T CB 2.795 71.661 68.868 -0.003 0.000 1.221 173 T HN 0.538 nan 8.240 nan 0.000 0.499 174 M N 0.062 119.644 119.600 -0.030 0.000 2.779 174 M HA 0.874 5.256 4.480 -0.164 0.000 0.277 174 M C 0.897 177.188 176.300 -0.015 0.000 1.284 174 M CA 0.358 55.653 55.300 -0.007 0.000 0.801 174 M CB 0.364 32.964 32.600 -0.001 0.000 1.712 174 M HN 1.658 nan 8.290 nan 0.000 0.453 175 G N -0.716 108.098 108.800 0.023 0.000 2.166 175 G HA2 0.151 4.013 3.960 -0.164 0.000 0.260 175 G HA3 0.151 4.013 3.960 -0.164 0.000 0.260 175 G C 1.178 175.834 174.900 -0.407 0.000 0.986 175 G CA 0.901 45.862 45.100 -0.232 0.000 0.683 175 G HN 2.577 nan 8.290 nan 0.000 0.527 176 G N -1.371 107.355 108.800 -0.123 0.000 2.225 176 G HA2 -0.070 3.792 3.960 -0.164 0.000 0.267 176 G HA3 -0.070 3.792 3.960 -0.164 0.000 0.267 176 G C 0.475 175.329 174.900 -0.077 0.000 1.024 176 G CA 0.884 45.961 45.100 -0.038 0.000 0.784 176 G HN 1.781 nan 8.290 nan 0.000 0.507 177 S N 0.009 115.656 115.700 -0.088 0.000 2.515 177 S HA 0.436 4.808 4.470 -0.164 0.000 0.285 177 S C 1.630 176.190 174.600 -0.066 0.000 1.265 177 S CA 1.155 59.303 58.200 -0.087 0.000 1.079 177 S CB 0.914 64.067 63.200 -0.079 0.000 0.877 177 S HN 2.096 nan 8.310 nan 0.000 0.493 178 G N 2.522 111.277 108.800 -0.074 0.000 2.148 178 G HA2 -0.150 3.712 3.960 -0.164 0.000 0.254 178 G HA3 -0.150 3.712 3.960 -0.164 0.000 0.254 178 G C 0.282 175.142 174.900 -0.067 0.000 0.981 178 G CA -0.095 44.964 45.100 -0.068 0.000 0.670 178 G HN 1.097 nan 8.290 nan 0.000 0.528 179 G N -1.708 107.057 108.800 -0.058 0.000 3.013 179 G HA2 1.075 4.936 3.960 -0.164 0.000 0.278 179 G HA3 1.075 4.936 3.960 -0.164 0.000 0.278 179 G C 0.184 175.061 174.900 -0.038 0.000 1.353 179 G CA 0.216 45.286 45.100 -0.050 0.000 1.043 179 G HN 1.734 nan 8.290 nan 0.000 0.523 180 G N -1.722 107.060 108.800 -0.030 0.000 2.317 180 G HA2 0.415 4.277 3.960 -0.164 0.000 0.293 180 G HA3 0.415 4.277 3.960 -0.164 0.000 0.293 180 G C -1.819 173.061 174.900 -0.034 0.000 1.287 180 G CA -0.817 44.273 45.100 -0.016 0.000 0.850 180 G HN 0.735 nan 8.290 nan 0.000 0.515 181 I N 1.235 121.772 120.570 -0.055 0.000 2.389 181 I HA 0.594 4.666 4.170 -0.164 0.000 0.288 181 I C 0.543 176.515 176.117 -0.241 0.000 0.999 181 I CA -0.779 60.414 61.300 -0.178 0.000 1.129 181 I CB 1.933 39.751 38.000 -0.303 0.000 1.288 181 I HN 0.724 nan 8.210 nan 0.000 0.444 182 A N 5.554 128.287 122.820 -0.145 0.000 2.276 182 A HA 0.451 4.673 4.320 -0.164 0.000 0.300 182 A C -0.368 177.082 177.584 -0.224 0.000 1.235 182 A CA -0.148 51.868 52.037 -0.035 0.000 0.867 182 A CB -0.001 19.240 19.000 0.402 0.000 1.137 182 A HN 0.735 nan 8.150 nan 0.000 0.527 183 Y N 1.558 121.802 120.300 -0.094 0.000 2.462 183 Y HA 0.130 4.581 4.550 -0.165 0.000 0.261 183 Y C 0.754 176.344 175.900 -0.517 0.000 1.146 183 Y CA 0.595 58.600 58.100 -0.158 0.000 1.283 183 Y CB 0.209 38.617 38.460 -0.086 0.000 1.090 183 Y HN 0.924 nan 8.280 nan 0.000 0.526 184 N N -2.990 115.254 118.700 -0.759 0.000 3.185 184 N HA 0.161 4.803 4.740 -0.164 0.000 0.238 184 N C 0.225 175.178 175.510 -0.928 0.000 1.451 184 N CA -0.973 51.417 53.050 -1.100 0.000 0.888 184 N CB 0.647 38.901 38.487 -0.389 0.000 1.413 184 N HN -0.207 nan 8.380 nan 0.000 0.511 185 R N 0.179 120.326 120.500 -0.588 0.000 2.094 185 R HA -0.242 4.000 4.340 -0.164 0.000 0.239 185 R C 1.373 177.724 176.300 0.084 0.000 1.137 185 R CA 2.372 58.463 56.100 -0.015 0.000 0.943 185 R CB -0.385 29.971 30.300 0.094 0.000 0.850 185 R HN 0.858 nan 8.270 nan 0.000 0.433 186 E N 0.316 120.517 120.200 0.001 0.000 2.065 186 E HA -0.258 3.994 4.350 -0.164 0.000 0.201 186 E C 1.788 178.412 176.600 0.041 0.000 1.016 186 E CA 2.071 58.488 56.400 0.027 0.000 0.818 186 E CB -0.029 29.670 29.700 -0.003 0.000 0.749 186 E HN 0.468 nan 8.360 nan 0.000 0.453 187 E N -0.513 119.693 120.200 0.010 0.000 2.077 187 E HA -0.195 4.057 4.350 -0.164 0.000 0.193 187 E C 1.918 178.559 176.600 0.068 0.000 0.989 187 E CA 1.078 57.493 56.400 0.026 0.000 0.800 187 E CB -0.266 29.440 29.700 0.010 0.000 0.746 187 E HN 0.339 nan 8.360 nan 0.000 0.452 188 F N 2.088 122.010 119.950 -0.048 0.000 2.095 188 F HA -0.215 4.214 4.527 -0.163 0.000 0.298 188 F C 2.128 177.953 175.800 0.041 0.000 1.104 188 F CA 1.650 59.676 58.000 0.044 0.000 1.232 188 F CB 0.112 39.213 39.000 0.168 0.000 0.987 188 F HN -0.066 nan 8.300 nan 0.000 0.475 189 E N -0.268 120.014 120.200 0.136 0.000 2.150 189 E HA -0.253 3.999 4.350 -0.164 0.000 0.193 189 E C 2.139 178.702 176.600 -0.062 0.000 0.985 189 E CA 1.165 57.579 56.400 0.023 0.000 0.814 189 E CB -0.279 29.492 29.700 0.117 0.000 0.752 189 E HN 0.583 nan 8.360 nan 0.000 0.466 190 E N 0.892 121.068 120.200 -0.040 0.000 2.047 190 E HA -0.190 4.062 4.350 -0.164 0.000 0.191 190 E C 2.114 178.656 176.600 -0.097 0.000 0.987 190 E CA 0.860 57.230 56.400 -0.050 0.000 0.799 190 E CB 0.031 29.717 29.700 -0.023 0.000 0.752 190 E HN 0.218 nan 8.360 nan 0.000 0.449 191 I N 0.577 121.068 120.570 -0.131 0.000 2.163 191 I HA -0.325 3.747 4.170 -0.164 0.000 0.240 191 I C 2.748 178.736 176.117 -0.214 0.000 1.081 191 I CA 0.707 61.913 61.300 -0.157 0.000 1.353 191 I CB -0.468 37.437 38.000 -0.159 0.000 1.054 191 I HN 0.318 nan 8.210 nan 0.000 0.407 192 C N 1.007 120.091 119.300 -0.360 0.000 2.385 192 C HA -0.264 4.097 4.460 -0.164 0.000 0.275 192 C C 3.233 178.110 174.990 -0.188 0.000 1.207 192 C CA 1.196 59.999 59.018 -0.358 0.000 1.760 192 C CB -1.303 26.093 27.740 -0.573 0.000 2.051 192 C HN 0.641 nan 8.230 nan 0.000 0.467 193 A N 0.204 122.936 122.820 -0.147 0.000 1.873 193 A HA -0.280 3.942 4.320 -0.164 0.000 0.218 193 A C 2.202 179.734 177.584 -0.087 0.000 1.193 193 A CA 2.232 54.217 52.037 -0.087 0.000 0.629 193 A CB -0.753 18.206 19.000 -0.067 0.000 0.826 193 A HN 0.667 nan 8.150 nan 0.000 0.447 194 R N -0.764 119.676 120.500 -0.100 0.000 2.083 194 R HA -0.131 4.111 4.340 -0.164 0.000 0.237 194 R C 2.259 178.511 176.300 -0.080 0.000 1.137 194 R CA 1.903 57.946 56.100 -0.095 0.000 0.951 194 R CB -0.801 29.443 30.300 -0.094 0.000 0.851 194 R HN 0.467 nan 8.270 nan 0.000 0.434 195 G N 0.541 109.288 108.800 -0.089 0.000 2.422 195 G HA2 -0.210 3.652 3.960 -0.164 0.000 0.218 195 G HA3 -0.210 3.652 3.960 -0.164 0.000 0.218 195 G C 1.448 176.318 174.900 -0.049 0.000 1.146 195 G CA 0.590 45.647 45.100 -0.072 0.000 0.769 195 G HN 0.253 nan 8.290 nan 0.000 0.547 196 L N 0.002 121.194 121.223 -0.052 0.000 2.056 196 L HA -0.038 4.204 4.340 -0.164 0.000 0.207 196 L C 2.513 179.379 176.870 -0.006 0.000 1.078 196 L CA 1.415 56.242 54.840 -0.021 0.000 0.749 196 L CB -0.260 41.788 42.059 -0.018 0.000 0.901 196 L HN 0.187 nan 8.230 nan 0.000 0.433 197 D N -0.284 120.104 120.400 -0.018 0.000 2.097 197 D HA -0.199 4.343 4.640 -0.164 0.000 0.197 197 D C 2.039 178.333 176.300 -0.009 0.000 0.984 197 D CA 0.768 54.762 54.000 -0.010 0.000 0.826 197 D CB 0.132 40.918 40.800 -0.023 0.000 0.973 197 D HN 0.025 nan 8.370 nan 0.000 0.460 198 L N 0.338 121.549 121.223 -0.020 0.000 2.046 198 L HA 0.032 4.274 4.340 -0.164 0.000 0.208 198 L C 0.811 177.680 176.870 -0.001 0.000 1.077 198 L CA 1.050 55.880 54.840 -0.016 0.000 0.747 198 L CB -0.868 41.173 42.059 -0.031 0.000 0.896 198 L HN -0.087 nan 8.230 nan 0.000 0.432 199 S N 0.098 115.802 115.700 0.007 0.000 2.515 199 S HA 0.077 4.449 4.470 -0.164 0.000 0.285 199 S C -1.377 173.239 174.600 0.025 0.000 1.265 199 S CA -0.997 57.225 58.200 0.035 0.000 1.079 199 S CB 0.456 63.685 63.200 0.048 0.000 0.877 199 S HN 0.124 nan 8.310 nan 0.000 0.493 200 P HA -0.084 nan 4.420 nan 0.000 0.218 200 P C 1.050 178.287 177.300 -0.105 0.000 1.146 200 P CA 1.320 64.382 63.100 -0.062 0.000 0.813 200 P CB -0.133 31.492 31.700 -0.125 0.000 0.778 201 T N -5.630 108.901 114.554 -0.038 0.000 3.129 201 T HA 0.221 4.473 4.350 -0.164 0.000 0.267 201 T C 0.621 175.347 174.700 0.043 0.000 1.018 201 T CA -0.588 61.493 62.100 -0.030 0.000 0.903 201 T CB -0.554 68.316 68.868 0.003 0.000 1.067 201 T HN -0.062 nan 8.240 nan 0.000 0.549 202 K N 1.148 121.576 120.400 0.047 0.000 3.156 202 K HA -0.206 4.016 4.320 -0.164 0.000 0.266 202 K C -0.431 176.262 176.600 0.154 0.000 0.966 202 K CA 0.873 57.202 56.287 0.071 0.000 0.719 202 K CB -1.063 31.469 32.500 0.053 0.000 1.333 202 K HN 0.893 nan 8.250 nan 0.000 0.468 203 E N 0.722 121.001 120.200 0.131 0.000 2.343 203 E HA 0.508 4.760 4.350 -0.164 0.000 0.278 203 E C -1.243 175.370 176.600 0.020 0.000 0.910 203 E CA -0.894 55.584 56.400 0.130 0.000 0.757 203 E CB 1.302 31.151 29.700 0.248 0.000 1.218 203 E HN 0.202 nan 8.360 nan 0.000 0.435 204 L N 3.125 124.306 121.223 -0.071 0.000 2.354 204 L HA 0.600 4.842 4.340 -0.164 0.000 0.264 204 L C -1.147 175.672 176.870 -0.086 0.000 1.008 204 L CA -1.275 53.522 54.840 -0.072 0.000 0.819 204 L CB 1.974 43.980 42.059 -0.089 0.000 1.339 204 L HN 0.539 nan 8.230 nan 0.000 0.420 205 L N 2.550 123.741 121.223 -0.054 0.000 2.356 205 L HA 0.618 4.860 4.340 -0.164 0.000 0.277 205 L C -1.131 175.723 176.870 -0.026 0.000 0.996 205 L CA 0.024 54.840 54.840 -0.039 0.000 0.822 205 L CB 1.570 43.614 42.059 -0.024 0.000 1.256 205 L HN 0.349 nan 8.230 nan 0.000 0.413 206 I N 4.301 124.865 120.570 -0.010 0.000 2.382 206 I HA 0.418 4.490 4.170 -0.164 0.000 0.286 206 I C -0.981 175.133 176.117 -0.005 0.000 1.002 206 I CA -0.269 61.044 61.300 0.023 0.000 1.135 206 I CB 1.465 39.525 38.000 0.100 0.000 1.288 206 I HN 0.570 nan 8.210 nan 0.000 0.448 207 D N 4.533 124.922 120.400 -0.018 0.000 2.342 207 D HA 0.303 4.845 4.640 -0.164 0.000 0.243 207 D C -0.442 175.818 176.300 -0.066 0.000 1.019 207 D CA -0.787 53.184 54.000 -0.047 0.000 0.864 207 D CB 1.137 41.900 40.800 -0.061 0.000 1.315 207 D HN 0.568 nan 8.370 nan 0.000 0.468 208 E N 0.174 120.323 120.200 -0.085 0.000 2.404 208 E HA 0.133 4.385 4.350 -0.164 0.000 0.261 208 E C -0.291 176.235 176.600 -0.124 0.000 1.074 208 E CA -0.529 55.811 56.400 -0.100 0.000 0.917 208 E CB 0.803 30.445 29.700 -0.098 0.000 0.965 208 E HN 0.191 nan 8.360 nan 0.000 0.433 209 S N 2.406 118.039 115.700 -0.112 0.000 2.533 209 S HA 0.075 4.447 4.470 -0.164 0.000 0.282 209 S C 0.453 174.919 174.600 -0.223 0.000 1.304 209 S CA -0.434 57.690 58.200 -0.128 0.000 1.063 209 S CB -0.003 63.157 63.200 -0.067 0.000 0.881 209 S HN 0.566 nan 8.310 nan 0.000 0.493 210 L N 5.429 126.474 121.223 -0.297 0.000 3.069 210 L HA 0.392 4.633 4.340 -0.164 0.000 0.271 210 L C 0.027 176.716 176.870 -0.301 0.000 1.201 210 L CA -0.294 54.201 54.840 -0.575 0.000 1.015 210 L CB 0.057 41.645 42.059 -0.783 0.000 1.371 210 L HN 0.608 nan 8.230 nan 0.000 0.574 211 I N 1.501 122.000 120.570 -0.119 0.000 2.826 211 I HA -0.073 3.998 4.170 -0.164 0.000 0.295 211 I C 1.494 177.652 176.117 0.068 0.000 1.213 211 I CA 1.515 62.811 61.300 -0.008 0.000 1.436 211 I CB 0.295 38.314 38.000 0.032 0.000 1.348 211 I HN 0.477 nan 8.210 nan 0.000 0.570 212 G N 4.455 113.316 108.800 0.102 0.000 2.213 212 G HA2 -0.215 3.647 3.960 -0.164 0.000 0.226 212 G HA3 -0.215 3.647 3.960 -0.164 0.000 0.226 212 G C -0.108 174.965 174.900 0.289 0.000 0.992 212 G CA -0.606 44.579 45.100 0.141 0.000 0.632 212 G HN 0.505 nan 8.290 nan 0.000 0.511 213 W N 1.705 123.026 121.300 0.035 0.000 2.049 213 W HA 0.643 5.205 4.660 -0.164 0.000 0.356 213 W C 1.079 177.628 176.519 0.051 0.000 1.323 213 W CA -0.740 56.643 57.345 0.064 0.000 1.336 213 W CB 0.327 29.832 29.460 0.076 0.000 1.176 213 W HN -0.008 nan 8.180 nan 0.000 0.623 214 K N 1.295 121.869 120.400 0.290 0.000 2.237 214 K HA 0.135 4.356 4.320 -0.164 0.000 0.270 214 K C -0.387 176.284 176.600 0.119 0.000 1.015 214 K CA -0.368 55.999 56.287 0.132 0.000 0.949 214 K CB 0.866 33.443 32.500 0.129 0.000 0.976 214 K HN 0.359 nan 8.250 nan 0.000 0.472 215 E N 2.449 122.600 120.200 -0.080 0.000 2.158 215 E HA 0.241 4.493 4.350 -0.164 0.000 0.271 215 E C -1.558 174.910 176.600 -0.220 0.000 0.911 215 E CA -0.524 55.851 56.400 -0.043 0.000 0.767 215 E CB 0.706 30.389 29.700 -0.028 0.000 1.120 215 E HN 0.347 nan 8.360 nan 0.000 0.405 216 Y N 1.637 122.027 120.300 0.151 0.000 2.570 216 Y HA 0.430 4.883 4.550 -0.162 0.000 0.345 216 Y C -0.235 175.773 175.900 0.181 0.000 1.014 216 Y CA -0.792 57.398 58.100 0.151 0.000 1.063 216 Y CB 2.203 40.740 38.460 0.128 0.000 1.272 216 Y HN 0.441 nan 8.280 nan 0.000 0.477 217 E N 2.089 122.482 120.200 0.322 0.000 2.367 217 E HA 0.665 4.917 4.350 -0.164 0.000 0.273 217 E C -1.523 175.192 176.600 0.192 0.000 0.903 217 E CA -1.029 55.503 56.400 0.219 0.000 0.764 217 E CB 3.238 33.001 29.700 0.105 0.000 1.252 217 E HN 0.486 nan 8.360 nan 0.000 0.446 218 M N 1.529 121.227 119.600 0.163 0.000 2.326 218 M HA 0.266 4.648 4.480 -0.164 0.000 0.292 218 M C -1.216 175.115 176.300 0.050 0.000 1.081 218 M CA -0.787 54.567 55.300 0.091 0.000 0.919 218 M CB 2.512 35.151 32.600 0.064 0.000 1.634 218 M HN 0.300 nan 8.290 nan 0.000 0.451 219 E N 3.099 123.304 120.200 0.009 0.000 2.115 219 E HA 0.476 4.728 4.350 -0.164 0.000 0.282 219 E C -1.109 175.457 176.600 -0.057 0.000 0.987 219 E CA -0.263 56.125 56.400 -0.019 0.000 0.797 219 E CB 1.677 31.357 29.700 -0.033 0.000 1.086 219 E HN 0.368 nan 8.360 nan 0.000 0.397 220 V N 2.429 122.321 119.914 -0.037 0.000 2.715 220 V HA 0.537 4.559 4.120 -0.164 0.000 0.310 220 V C 0.059 176.129 176.094 -0.040 0.000 1.054 220 V CA -0.963 61.310 62.300 -0.046 0.000 0.928 220 V CB 2.178 33.998 31.823 -0.005 0.000 1.007 220 V HN 0.327 nan 8.190 nan 0.000 0.437 221 V N 3.607 123.492 119.914 -0.050 0.000 2.709 221 V HA 0.676 4.698 4.120 -0.164 0.000 0.308 221 V C -0.336 175.769 176.094 0.019 0.000 1.062 221 V CA -0.691 61.606 62.300 -0.005 0.000 0.901 221 V CB 2.063 33.885 31.823 -0.001 0.000 1.003 221 V HN 0.957 nan 8.190 nan 0.000 0.425 222 R N 2.415 122.939 120.500 0.040 0.000 2.744 222 R HA 0.684 4.926 4.340 -0.164 0.000 0.279 222 R C -1.602 174.733 176.300 0.058 0.000 0.977 222 R CA -0.493 55.634 56.100 0.045 0.000 0.906 222 R CB 2.148 32.469 30.300 0.035 0.000 1.197 222 R HN 0.950 nan 8.270 nan 0.000 0.463 223 D N 1.127 121.564 120.400 0.061 0.000 2.467 223 D HA 0.170 4.712 4.640 -0.164 0.000 0.245 223 D C 0.267 176.598 176.300 0.053 0.000 1.038 223 D CA -0.877 53.164 54.000 0.068 0.000 1.038 223 D CB 1.228 42.079 40.800 0.086 0.000 1.278 223 D HN 0.575 nan 8.370 nan 0.000 0.564 224 K N -0.325 120.106 120.400 0.051 0.000 2.281 224 K HA -0.088 4.134 4.320 -0.164 0.000 0.203 224 K C 0.523 177.144 176.600 0.036 0.000 1.046 224 K CA 1.035 57.345 56.287 0.038 0.000 0.938 224 K CB -0.370 32.149 32.500 0.032 0.000 0.737 224 K HN 0.155 nan 8.250 nan 0.000 0.458 225 N N 1.173 119.899 118.700 0.043 0.000 2.314 225 N HA -0.039 4.603 4.740 -0.164 0.000 0.200 225 N C -0.529 175.003 175.510 0.038 0.000 1.135 225 N CA 0.532 53.605 53.050 0.039 0.000 0.835 225 N CB 0.272 38.785 38.487 0.044 0.000 0.989 225 N HN 0.290 nan 8.380 nan 0.000 0.478 226 D N -0.164 120.259 120.400 0.038 0.000 3.090 226 D HA -0.161 4.381 4.640 -0.164 0.000 0.215 226 D C -0.722 175.601 176.300 0.039 0.000 1.140 226 D CA 0.501 54.522 54.000 0.034 0.000 0.937 226 D CB -1.368 39.448 40.800 0.027 0.000 1.108 226 D HN 0.196 nan 8.370 nan 0.000 0.420 227 N N 0.116 118.845 118.700 0.048 0.000 2.503 227 N HA 0.351 4.993 4.740 -0.164 0.000 0.267 227 N C -0.157 175.382 175.510 0.048 0.000 1.214 227 N CA 0.167 53.249 53.050 0.053 0.000 0.959 227 N CB 1.370 39.898 38.487 0.068 0.000 1.142 227 N HN 0.301 nan 8.380 nan 0.000 0.455 228 C N 2.605 121.930 119.300 0.041 0.000 2.752 228 C HA 0.649 5.011 4.460 -0.164 0.000 0.360 228 C C -0.691 174.306 174.990 0.012 0.000 1.081 228 C CA -0.695 58.339 59.018 0.026 0.000 1.272 228 C CB -0.518 27.235 27.740 0.022 0.000 1.754 228 C HN 0.713 nan 8.230 nan 0.000 0.483 229 I N 2.728 123.287 120.570 -0.018 0.000 3.002 229 I HA 0.721 4.793 4.170 -0.164 0.000 0.310 229 I C -1.285 174.772 176.117 -0.099 0.000 1.087 229 I CA -0.971 60.292 61.300 -0.062 0.000 1.017 229 I CB 1.724 39.653 38.000 -0.118 0.000 1.226 229 I HN 0.226 nan 8.210 nan 0.000 0.443 230 I N 3.354 123.857 120.570 -0.112 0.000 2.328 230 I HA 0.226 4.298 4.170 -0.164 0.000 0.287 230 I C 0.932 176.924 176.117 -0.208 0.000 1.012 230 I CA -0.708 60.526 61.300 -0.109 0.000 1.195 230 I CB 1.261 39.240 38.000 -0.034 0.000 1.350 230 I HN 0.510 nan 8.210 nan 0.000 0.464 231 V N 4.715 124.452 119.914 -0.294 0.000 2.488 231 V HA -0.036 3.986 4.120 -0.164 0.000 0.246 231 V C 0.804 176.758 176.094 -0.234 0.000 1.046 231 V CA 0.985 63.013 62.300 -0.454 0.000 1.053 231 V CB 0.098 31.527 31.823 -0.657 0.000 0.679 231 V HN 0.819 nan 8.190 nan 0.000 0.458 232 C N -0.287 118.941 119.300 -0.121 0.000 3.170 232 C HA 0.654 5.016 4.460 -0.164 0.000 0.319 232 C C -0.312 174.690 174.990 0.021 0.000 1.260 232 C CA -0.336 58.663 59.018 -0.032 0.000 1.374 232 C CB 1.566 29.294 27.740 -0.019 0.000 1.739 232 C HN 0.515 nan 8.230 nan 0.000 0.479 233 S N 3.186 118.932 115.700 0.076 0.000 2.513 233 S HA 0.893 5.264 4.470 -0.164 0.000 0.299 233 S C -1.132 173.551 174.600 0.138 0.000 1.087 233 S CA -0.545 57.723 58.200 0.113 0.000 1.012 233 S CB 1.229 64.532 63.200 0.171 0.000 1.044 233 S HN 0.685 nan 8.310 nan 0.000 0.485 234 I N 1.344 122.015 120.570 0.169 0.000 2.582 234 I HA 0.456 4.528 4.170 -0.164 0.000 0.292 234 I C -0.526 175.707 176.117 0.194 0.000 1.066 234 I CA -0.448 60.945 61.300 0.154 0.000 1.053 234 I CB 2.295 40.356 38.000 0.101 0.000 1.241 234 I HN 0.824 nan 8.210 nan 0.000 0.421 235 E N 6.159 126.444 120.200 0.142 0.000 2.155 235 E HA 0.308 4.559 4.350 -0.164 0.000 0.264 235 E C -0.913 175.678 176.600 -0.015 0.000 0.886 235 E CA -0.605 55.794 56.400 -0.001 0.000 0.752 235 E CB 0.954 30.733 29.700 0.132 0.000 1.133 235 E HN 0.539 nan 8.360 nan 0.000 0.414 236 N N 4.584 123.205 118.700 -0.131 0.000 2.468 236 N HA 0.002 4.644 4.740 -0.164 0.000 0.265 236 N C 0.298 175.751 175.510 -0.096 0.000 1.199 236 N CA -0.024 52.984 53.050 -0.069 0.000 0.928 236 N CB 0.592 39.038 38.487 -0.069 0.000 1.059 236 N HN 0.554 nan 8.380 nan 0.000 0.467 237 F N 2.589 122.362 119.950 -0.295 0.000 2.128 237 F HA -0.029 4.400 4.527 -0.163 0.000 0.295 237 F C 0.666 176.309 175.800 -0.261 0.000 1.100 237 F CA 0.927 58.597 58.000 -0.551 0.000 1.260 237 F CB 0.271 38.977 39.000 -0.491 0.000 1.009 237 F HN 0.395 nan 8.300 nan 0.000 0.476 238 D N 1.203 121.643 120.400 0.066 0.000 2.302 238 D HA 0.339 4.881 4.640 -0.164 0.000 0.248 238 D C 0.292 176.580 176.300 -0.021 0.000 1.094 238 D CA 0.308 54.328 54.000 0.032 0.000 0.897 238 D CB 1.490 42.380 40.800 0.149 0.000 1.200 238 D HN 0.300 nan 8.370 nan 0.000 0.429 239 A N 2.607 125.410 122.820 -0.029 0.000 2.251 239 A HA 0.280 4.502 4.320 -0.164 0.000 0.278 239 A C 0.674 178.271 177.584 0.022 0.000 1.206 239 A CA -0.482 51.554 52.037 -0.002 0.000 0.822 239 A CB 0.237 19.239 19.000 0.002 0.000 1.187 239 A HN 0.516 nan 8.150 nan 0.000 0.504 240 M N -0.179 119.448 119.600 0.045 0.000 2.250 240 M HA 0.264 4.646 4.480 -0.164 0.000 0.337 240 M C 1.378 177.691 176.300 0.022 0.000 1.161 240 M CA 1.903 57.220 55.300 0.029 0.000 1.088 240 M CB -0.246 32.376 32.600 0.036 0.000 1.639 240 M HN 1.460 nan 8.290 nan 0.000 0.447 241 G N 3.434 112.243 108.800 0.015 0.000 2.278 241 G HA2 -0.157 3.705 3.960 -0.164 0.000 0.210 241 G HA3 -0.157 3.705 3.960 -0.164 0.000 0.210 241 G C 0.050 174.991 174.900 0.068 0.000 1.000 241 G CA -0.580 44.540 45.100 0.035 0.000 0.635 241 G HN 0.568 nan 8.290 nan 0.000 0.495 242 I N 2.393 123.006 120.570 0.072 0.000 2.382 242 I HA 0.309 4.381 4.170 -0.164 0.000 0.285 242 I C 0.570 176.759 176.117 0.120 0.000 1.007 242 I CA -1.031 60.339 61.300 0.116 0.000 1.142 242 I CB 1.271 39.342 38.000 0.120 0.000 1.289 242 I HN 0.144 nan 8.210 nan 0.000 0.453 243 H N 5.278 124.389 119.070 0.070 0.000 3.115 243 H HA -0.088 4.371 4.556 -0.162 0.000 0.324 243 H C 1.175 176.537 175.328 0.058 0.000 1.007 243 H CA 1.345 57.425 56.048 0.053 0.000 1.385 243 H CB 1.197 30.990 29.762 0.052 0.000 1.351 243 H HN 0.865 nan 8.280 nan 0.000 0.592 244 T N 1.076 115.489 114.554 -0.235 0.000 2.685 244 T HA -0.201 4.051 4.350 -0.164 0.000 0.268 244 T C 2.156 176.942 174.700 0.143 0.000 1.034 244 T CA 1.353 63.428 62.100 -0.042 0.000 1.149 244 T CB -0.808 67.991 68.868 -0.115 0.000 0.860 244 T HN 0.650 nan 8.240 nan 0.000 0.449 245 G N 0.912 109.952 108.800 0.399 0.000 2.443 245 G HA2 -0.076 3.786 3.960 -0.164 0.000 0.219 245 G HA3 -0.076 3.786 3.960 -0.164 0.000 0.219 245 G C 1.117 176.115 174.900 0.163 0.000 1.131 245 G CA 0.741 45.996 45.100 0.258 0.000 0.775 245 G HN 0.493 nan 8.290 nan 0.000 0.547 246 D N -0.269 120.283 120.400 0.253 0.000 2.369 246 D HA 0.215 4.757 4.640 -0.164 0.000 0.211 246 D C 0.702 177.189 176.300 0.311 0.000 1.077 246 D CA 0.037 54.216 54.000 0.300 0.000 0.842 246 D CB 0.634 41.675 40.800 0.401 0.000 0.947 246 D HN 0.093 nan 8.370 nan 0.000 0.509 247 S N -0.072 115.750 115.700 0.203 0.000 2.654 247 S HA 0.432 4.804 4.470 -0.164 0.000 0.283 247 S C 0.490 175.154 174.600 0.108 0.000 1.180 247 S CA -0.656 57.642 58.200 0.163 0.000 1.021 247 S CB 1.723 64.991 63.200 0.114 0.000 1.018 247 S HN 0.043 nan 8.310 nan 0.000 0.532 248 I N 2.661 123.284 120.570 0.088 0.000 2.529 248 I HA 0.233 4.305 4.170 -0.164 0.000 0.284 248 I C 0.639 176.769 176.117 0.022 0.000 1.082 248 I CA 0.095 61.378 61.300 -0.027 0.000 1.406 248 I CB 0.867 38.700 38.000 -0.279 0.000 1.405 248 I HN 0.690 nan 8.210 nan 0.000 0.548 249 T N 3.653 118.209 114.554 0.004 0.000 2.896 249 T HA 0.746 4.998 4.350 -0.164 0.000 0.297 249 T C -0.584 174.148 174.700 0.054 0.000 1.108 249 T CA -0.763 61.357 62.100 0.034 0.000 1.004 249 T CB 1.954 70.844 68.868 0.037 0.000 1.159 249 T HN 0.442 nan 8.240 nan 0.000 0.499 250 V N -1.549 118.425 119.914 0.101 0.000 2.962 250 V HA 1.019 5.040 4.120 -0.164 0.000 0.313 250 V C -0.577 175.600 176.094 0.137 0.000 1.099 250 V CA -1.204 61.184 62.300 0.147 0.000 0.971 250 V CB 1.256 33.241 31.823 0.270 0.000 1.028 250 V HN 1.578 nan 8.190 nan 0.000 0.430 251 A N 4.703 127.593 122.820 0.117 0.000 2.356 251 A HA 1.036 5.258 4.320 -0.164 0.000 0.310 251 A C -2.843 174.782 177.584 0.069 0.000 1.075 251 A CA -1.765 50.326 52.037 0.090 0.000 0.746 251 A CB 1.802 20.840 19.000 0.064 0.000 1.221 251 A HN 0.788 nan 8.150 nan 0.000 0.443 252 P HA 0.531 nan 4.420 nan 0.000 0.310 252 P C 0.091 177.453 177.300 0.104 0.000 1.309 252 P CA -0.358 62.778 63.100 0.060 0.000 0.769 252 P CB 0.690 32.391 31.700 0.002 0.000 1.327 253 A N 0.238 123.158 122.820 0.166 0.000 2.466 253 A HA 0.088 4.310 4.320 -0.164 0.000 0.238 253 A C 1.109 178.721 177.584 0.047 0.000 1.074 253 A CA 0.331 52.505 52.037 0.228 0.000 0.774 253 A CB -0.360 18.835 19.000 0.324 0.000 1.015 253 A HN 0.499 nan 8.150 nan 0.000 0.498 254 Q N 0.122 119.888 119.800 -0.056 0.000 2.532 254 Q HA 0.009 4.251 4.340 -0.164 0.000 0.247 254 Q C 1.276 176.988 176.000 -0.481 0.000 0.872 254 Q CA 1.490 57.044 55.803 -0.415 0.000 0.963 254 Q CB -0.169 27.982 28.738 -0.979 0.000 1.159 254 Q HN 0.983 nan 8.270 nan 0.000 0.598 255 T N -1.232 113.126 114.554 -0.326 0.000 3.251 255 T HA 0.469 4.721 4.350 -0.164 0.000 0.259 255 T C 0.474 175.121 174.700 -0.088 0.000 0.998 255 T CA -0.131 61.818 62.100 -0.252 0.000 0.905 255 T CB -0.334 68.421 68.868 -0.189 0.000 1.067 255 T HN -0.091 nan 8.240 nan 0.000 0.569 256 L N 2.497 123.676 121.223 -0.073 0.000 2.331 256 L HA 0.539 4.781 4.340 -0.164 0.000 0.275 256 L C 0.798 177.623 176.870 -0.075 0.000 1.022 256 L CA -1.014 53.775 54.840 -0.085 0.000 0.812 256 L CB 1.969 43.944 42.059 -0.141 0.000 1.257 256 L HN 0.342 nan 8.230 nan 0.000 0.435 257 T N -2.803 111.708 114.554 -0.072 0.000 2.899 257 T HA 0.071 4.323 4.350 -0.164 0.000 0.284 257 T C 0.681 175.357 174.700 -0.040 0.000 1.004 257 T CA -0.626 61.436 62.100 -0.063 0.000 1.043 257 T CB 1.558 70.391 68.868 -0.059 0.000 1.013 257 T HN 0.665 nan 8.240 nan 0.000 0.518 258 D N 0.663 121.030 120.400 -0.056 0.000 2.133 258 D HA -0.164 4.378 4.640 -0.164 0.000 0.195 258 D C 1.955 178.255 176.300 0.001 0.000 0.997 258 D CA 1.655 55.629 54.000 -0.044 0.000 0.840 258 D CB -0.094 40.662 40.800 -0.074 0.000 0.947 258 D HN 0.677 nan 8.370 nan 0.000 0.452 259 K N -0.062 120.322 120.400 -0.026 0.000 2.044 259 K HA -0.194 4.028 4.320 -0.164 0.000 0.210 259 K C 2.253 178.827 176.600 -0.043 0.000 1.049 259 K CA 1.642 57.910 56.287 -0.031 0.000 0.927 259 K CB -0.088 32.389 32.500 -0.039 0.000 0.713 259 K HN 0.315 nan 8.250 nan 0.000 0.443 260 E N -0.547 119.616 120.200 -0.062 0.000 2.072 260 E HA -0.214 4.038 4.350 -0.164 0.000 0.191 260 E C 1.902 178.408 176.600 -0.157 0.000 0.985 260 E CA 1.066 57.394 56.400 -0.119 0.000 0.801 260 E CB -0.182 29.437 29.700 -0.136 0.000 0.750 260 E HN 0.311 nan 8.360 nan 0.000 0.452 261 Y N 2.025 122.195 120.300 -0.217 0.000 2.151 261 Y HA -0.298 4.154 4.550 -0.164 0.000 0.284 261 Y C 2.301 178.083 175.900 -0.198 0.000 1.166 261 Y CA 1.730 59.692 58.100 -0.230 0.000 1.163 261 Y CB 0.119 38.471 38.460 -0.180 0.000 0.974 261 Y HN 0.006 nan 8.280 nan 0.000 0.511 262 Q N -0.127 119.700 119.800 0.045 0.000 2.172 262 Q HA -0.098 4.144 4.340 -0.164 0.000 0.200 262 Q C 2.460 178.396 176.000 -0.107 0.000 0.964 262 Q CA 1.485 57.286 55.803 -0.002 0.000 0.855 262 Q CB -0.354 28.397 28.738 0.022 0.000 0.918 262 Q HN 0.603 nan 8.270 nan 0.000 0.444 263 I N 0.543 121.030 120.570 -0.137 0.000 2.142 263 I HA -0.300 3.772 4.170 -0.164 0.000 0.240 263 I C 2.571 178.542 176.117 -0.243 0.000 1.078 263 I CA 1.145 62.353 61.300 -0.153 0.000 1.343 263 I CB -0.276 37.637 38.000 -0.146 0.000 1.046 263 I HN 0.197 nan 8.210 nan 0.000 0.405 264 M N 0.582 119.936 119.600 -0.410 0.000 2.073 264 M HA -0.306 4.076 4.480 -0.164 0.000 0.258 264 M C 2.569 178.564 176.300 -0.507 0.000 1.070 264 M CA 1.927 56.812 55.300 -0.692 0.000 1.103 264 M CB -0.271 31.787 32.600 -0.902 0.000 1.321 264 M HN 0.077 nan 8.290 nan 0.000 0.405 265 R N 0.116 120.363 120.500 -0.421 0.000 2.091 265 R HA -0.193 4.048 4.340 -0.164 0.000 0.238 265 R C 1.603 177.838 176.300 -0.110 0.000 1.136 265 R CA 2.479 58.431 56.100 -0.247 0.000 0.959 265 R CB -0.513 29.684 30.300 -0.172 0.000 0.856 265 R HN 0.611 nan 8.270 nan 0.000 0.437 266 N N -0.166 118.474 118.700 -0.099 0.000 2.058 266 N HA -0.152 4.490 4.740 -0.164 0.000 0.191 266 N C 1.889 177.394 175.510 -0.007 0.000 1.037 266 N CA 1.089 54.114 53.050 -0.042 0.000 0.848 266 N CB -0.206 38.255 38.487 -0.042 0.000 1.021 266 N HN 0.299 nan 8.380 nan 0.000 0.422 267 A N 0.919 123.734 122.820 -0.007 0.000 1.883 267 A HA -0.181 4.041 4.320 -0.164 0.000 0.217 267 A C 2.370 180.060 177.584 0.176 0.000 1.186 267 A CA 1.705 53.800 52.037 0.097 0.000 0.624 267 A CB -0.805 18.294 19.000 0.165 0.000 0.822 267 A HN 0.203 nan 8.150 nan 0.000 0.444 268 S N -0.259 115.562 115.700 0.201 0.000 2.359 268 S HA -0.238 4.134 4.470 -0.164 0.000 0.222 268 S C 2.064 176.725 174.600 0.102 0.000 1.038 268 S CA 2.009 60.338 58.200 0.215 0.000 1.051 268 S CB -0.476 62.806 63.200 0.136 0.000 0.944 268 S HN 0.604 nan 8.310 nan 0.000 0.433 269 M N 0.966 120.598 119.600 0.054 0.000 2.159 269 M HA -0.110 4.272 4.480 -0.164 0.000 0.263 269 M C 2.487 178.807 176.300 0.033 0.000 1.063 269 M CA 1.466 56.786 55.300 0.033 0.000 1.110 269 M CB -0.727 31.884 32.600 0.017 0.000 1.374 269 M HN 0.394 nan 8.290 nan 0.000 0.411 270 A N 0.196 123.038 122.820 0.036 0.000 1.930 270 A HA -0.069 4.153 4.320 -0.164 0.000 0.217 270 A C 2.313 179.909 177.584 0.021 0.000 1.175 270 A CA 1.403 53.454 52.037 0.023 0.000 0.627 270 A CB -0.927 18.083 19.000 0.018 0.000 0.815 270 A HN 0.289 nan 8.150 nan 0.000 0.443 271 V N -0.274 119.665 119.914 0.042 0.000 2.287 271 V HA -0.279 3.742 4.120 -0.164 0.000 0.248 271 V C 2.545 178.663 176.094 0.040 0.000 1.053 271 V CA 2.140 64.461 62.300 0.036 0.000 1.027 271 V CB -0.792 31.073 31.823 0.071 0.000 0.646 271 V HN 0.517 nan 8.190 nan 0.000 0.447 272 L N -0.570 120.680 121.223 0.045 0.000 2.042 272 L HA -0.170 4.072 4.340 -0.164 0.000 0.210 272 L C 2.596 179.483 176.870 0.028 0.000 1.076 272 L CA 1.937 56.800 54.840 0.039 0.000 0.749 272 L CB -0.695 41.384 42.059 0.034 0.000 0.893 272 L HN 0.190 nan 8.230 nan 0.000 0.432 273 R N -0.683 119.830 120.500 0.022 0.000 2.091 273 R HA -0.236 4.006 4.340 -0.164 0.000 0.238 273 R C 2.234 178.539 176.300 0.008 0.000 1.136 273 R CA 1.708 57.817 56.100 0.015 0.000 0.959 273 R CB -0.221 30.086 30.300 0.012 0.000 0.856 273 R HN 0.374 nan 8.270 nan 0.000 0.437 274 E N 0.331 120.531 120.200 -0.001 0.000 2.170 274 E HA -0.083 4.169 4.350 -0.164 0.000 0.191 274 E C 1.618 178.213 176.600 -0.008 0.000 0.981 274 E CA 0.725 57.116 56.400 -0.015 0.000 0.830 274 E CB 0.096 29.771 29.700 -0.041 0.000 0.775 274 E HN 0.098 nan 8.360 nan 0.000 0.470 275 I N 0.585 121.162 120.570 0.012 0.000 2.315 275 I HA 0.039 4.111 4.170 -0.164 0.000 0.248 275 I C 1.742 177.876 176.117 0.027 0.000 1.117 275 I CA 1.777 63.098 61.300 0.034 0.000 1.404 275 I CB -1.056 36.987 38.000 0.071 0.000 1.071 275 I HN 0.469 nan 8.210 nan 0.000 0.419 276 G N 0.275 109.088 108.800 0.023 0.000 2.141 276 G HA2 -0.168 3.694 3.960 -0.164 0.000 0.164 276 G HA3 -0.168 3.694 3.960 -0.164 0.000 0.164 276 G C 0.182 175.096 174.900 0.023 0.000 1.009 276 G CA -0.048 45.065 45.100 0.021 0.000 0.677 276 G HN 0.113 nan 8.290 nan 0.000 0.508 277 V N 0.986 120.915 119.914 0.026 0.000 2.352 277 V HA 0.264 4.286 4.120 -0.164 0.000 0.253 277 V C 1.331 177.442 176.094 0.028 0.000 1.083 277 V CA 0.836 63.152 62.300 0.027 0.000 0.993 277 V CB 0.894 32.734 31.823 0.028 0.000 1.111 277 V HN 0.525 nan 8.190 nan 0.000 0.490 278 E N 2.258 122.475 120.200 0.027 0.000 2.340 278 E HA 0.002 4.253 4.350 -0.164 0.000 0.194 278 E C 0.973 177.594 176.600 0.036 0.000 0.996 278 E CA 0.761 57.179 56.400 0.029 0.000 0.869 278 E CB 0.479 30.195 29.700 0.025 0.000 0.835 278 E HN 0.802 nan 8.360 nan 0.000 0.493 279 T N -1.778 112.798 114.554 0.036 0.000 3.658 279 T HA 0.646 4.898 4.350 -0.164 0.000 0.245 279 T C 0.009 174.738 174.700 0.048 0.000 1.292 279 T CA -0.279 61.847 62.100 0.045 0.000 1.598 279 T CB 0.867 69.757 68.868 0.038 0.000 0.861 279 T HN 0.143 nan 8.240 nan 0.000 0.663 280 G N -0.174 108.657 108.800 0.052 0.000 2.323 280 G HA2 0.570 4.432 3.960 -0.164 0.000 0.291 280 G HA3 0.570 4.432 3.960 -0.164 0.000 0.291 280 G C -0.461 174.470 174.900 0.051 0.000 1.278 280 G CA -0.227 44.907 45.100 0.056 0.000 0.860 280 G HN 0.683 nan 8.290 nan 0.000 0.504 281 G N -1.220 107.611 108.800 0.052 0.000 2.521 281 G HA2 0.719 4.580 3.960 -0.164 0.000 0.323 281 G HA3 0.719 4.580 3.960 -0.164 0.000 0.323 281 G C -0.558 174.362 174.900 0.033 0.000 1.211 281 G CA 0.326 45.450 45.100 0.040 0.000 0.979 281 G HN 1.325 nan 8.290 nan 0.000 0.490 282 S N -1.134 114.580 115.700 0.024 0.000 2.552 282 S HA 0.348 4.719 4.470 -0.164 0.000 0.272 282 S C -1.174 173.433 174.600 0.013 0.000 1.150 282 S CA -0.832 57.379 58.200 0.018 0.000 0.849 282 S CB 1.802 65.011 63.200 0.016 0.000 1.113 282 S HN 0.749 nan 8.310 nan 0.000 0.458 283 N N 1.739 120.441 118.700 0.003 0.000 2.400 283 N HA 0.560 5.202 4.740 -0.164 0.000 0.288 283 N C -1.465 174.027 175.510 -0.030 0.000 1.024 283 N CA -0.206 52.844 53.050 -0.001 0.000 0.894 283 N CB 1.248 39.736 38.487 0.002 0.000 1.173 283 N HN 0.341 nan 8.380 nan 0.000 0.487 284 V N 3.111 123.016 119.914 -0.015 0.000 2.495 284 V HA 0.359 4.380 4.120 -0.164 0.000 0.298 284 V C -0.245 175.754 176.094 -0.159 0.000 1.031 284 V CA -0.737 61.502 62.300 -0.102 0.000 0.871 284 V CB 1.639 33.436 31.823 -0.043 0.000 0.988 284 V HN 0.647 nan 8.190 nan 0.000 0.432 285 Q N 3.136 122.719 119.800 -0.363 0.000 2.309 285 Q HA 0.761 5.003 4.340 -0.164 0.000 0.264 285 Q C -1.657 174.003 176.000 -0.566 0.000 1.008 285 Q CA -0.378 55.267 55.803 -0.263 0.000 0.853 285 Q CB 2.711 31.341 28.738 -0.180 0.000 1.314 285 Q HN 0.666 nan 8.270 nan 0.000 0.448 286 F N -0.121 119.883 119.950 0.090 0.000 2.643 286 F HA 0.769 5.197 4.527 -0.164 0.000 0.314 286 F C -0.527 175.382 175.800 0.182 0.000 1.096 286 F CA -1.083 56.995 58.000 0.129 0.000 0.953 286 F CB 1.747 40.827 39.000 0.133 0.000 1.345 286 F HN 0.511 nan 8.300 nan 0.000 0.468 287 A N 0.959 124.046 122.820 0.446 0.000 2.371 287 A HA 0.846 5.068 4.320 -0.164 0.000 0.311 287 A C -1.780 176.139 177.584 0.558 0.000 1.068 287 A CA -0.721 51.580 52.037 0.441 0.000 0.744 287 A CB 1.486 20.673 19.000 0.311 0.000 1.239 287 A HN 0.526 nan 8.150 nan 0.000 0.435 288 V N 2.964 123.192 119.914 0.523 0.000 2.487 288 V HA 0.288 4.310 4.120 -0.164 0.000 0.298 288 V C -0.257 175.844 176.094 0.012 0.000 1.028 288 V CA -0.933 61.544 62.300 0.295 0.000 0.860 288 V CB 1.794 33.779 31.823 0.269 0.000 0.991 288 V HN 0.912 nan 8.190 nan 0.000 0.427 289 N N 7.782 126.128 118.700 -0.589 0.000 2.405 289 N HA 0.203 4.845 4.740 -0.164 0.000 0.260 289 N C -1.305 173.894 175.510 -0.518 0.000 1.152 289 N CA -1.872 50.408 53.050 -1.283 0.000 0.948 289 N CB 1.700 39.075 38.487 -1.854 0.000 1.111 289 N HN 0.296 nan 8.380 nan 0.000 0.485 290 P HA -0.126 nan 4.420 nan 0.000 0.221 290 P C 0.509 177.730 177.300 -0.132 0.000 1.145 290 P CA 1.335 64.365 63.100 -0.116 0.000 0.795 290 P CB 0.446 32.155 31.700 0.014 0.000 0.775 291 K N -0.266 120.023 120.400 -0.185 0.000 2.228 291 K HA -0.037 4.185 4.320 -0.164 0.000 0.202 291 K C 1.105 177.628 176.600 -0.128 0.000 1.051 291 K CA 1.328 57.537 56.287 -0.130 0.000 0.960 291 K CB -0.102 32.332 32.500 -0.110 0.000 0.743 291 K HN 0.261 nan 8.250 nan 0.000 0.458 292 N N -2.327 116.271 118.700 -0.171 0.000 2.082 292 N HA 0.100 4.742 4.740 -0.164 0.000 0.228 292 N C 0.686 176.121 175.510 -0.125 0.000 1.341 292 N CA 0.391 53.365 53.050 -0.127 0.000 0.873 292 N CB 0.901 39.321 38.487 -0.111 0.000 1.137 292 N HN 0.072 nan 8.380 nan 0.000 0.505 293 G N 0.896 109.604 108.800 -0.153 0.000 2.184 293 G HA2 -0.392 3.470 3.960 -0.164 0.000 0.264 293 G HA3 -0.392 3.470 3.960 -0.164 0.000 0.264 293 G C 0.044 174.880 174.900 -0.107 0.000 0.975 293 G CA 0.212 45.240 45.100 -0.120 0.000 0.642 293 G HN 0.626 nan 8.290 nan 0.000 0.536 294 R N -0.056 120.362 120.500 -0.136 0.000 2.504 294 R HA 0.267 4.509 4.340 -0.164 0.000 0.291 294 R C -0.152 176.176 176.300 0.048 0.000 0.974 294 R CA -0.110 55.960 56.100 -0.049 0.000 1.077 294 R CB -0.001 30.260 30.300 -0.066 0.000 0.926 294 R HN 0.285 nan 8.270 nan 0.000 0.407 295 L N 6.745 128.031 121.223 0.105 0.000 2.282 295 L HA 0.461 4.702 4.340 -0.164 0.000 0.288 295 L C -0.866 176.167 176.870 0.271 0.000 1.033 295 L CA -0.171 54.771 54.840 0.171 0.000 0.807 295 L CB 1.425 43.518 42.059 0.056 0.000 1.209 295 L HN 0.564 nan 8.230 nan 0.000 0.423 296 I N 5.142 125.933 120.570 0.369 0.000 2.465 296 I HA 0.362 4.434 4.170 -0.164 0.000 0.291 296 I C -0.651 175.651 176.117 0.307 0.000 1.014 296 I CA -0.978 60.499 61.300 0.296 0.000 1.093 296 I CB 2.143 40.274 38.000 0.218 0.000 1.267 296 I HN 0.184 nan 8.210 nan 0.000 0.431 297 V N 6.573 126.603 119.914 0.194 0.000 2.488 297 V HA 0.141 4.163 4.120 -0.164 0.000 0.277 297 V C 1.116 177.206 176.094 -0.007 0.000 1.046 297 V CA -0.108 62.180 62.300 -0.020 0.000 0.986 297 V CB 1.029 32.846 31.823 -0.011 0.000 0.989 297 V HN 0.588 nan 8.190 nan 0.000 0.475 298 I N 3.153 123.644 120.570 -0.131 0.000 2.364 298 I HA 0.168 4.240 4.170 -0.164 0.000 0.241 298 I C 1.012 177.041 176.117 -0.147 0.000 1.082 298 I CA 1.059 62.304 61.300 -0.091 0.000 1.401 298 I CB -0.246 37.690 38.000 -0.106 0.000 1.126 298 I HN 0.962 nan 8.210 nan 0.000 0.429 299 E N 0.884 120.907 120.200 -0.295 0.000 2.435 299 E HA 0.493 4.745 4.350 -0.164 0.000 0.277 299 E C -0.959 175.338 176.600 -0.506 0.000 1.106 299 E CA -0.914 55.095 56.400 -0.652 0.000 0.868 299 E CB 1.714 31.099 29.700 -0.524 0.000 1.454 299 E HN 0.060 nan 8.360 nan 0.000 0.452 300 M N 0.775 119.996 119.600 -0.633 0.000 2.378 300 M HA 0.587 4.969 4.480 -0.164 0.000 0.289 300 M C -2.021 174.127 176.300 -0.252 0.000 1.136 300 M CA -0.483 54.648 55.300 -0.283 0.000 0.917 300 M CB 2.369 34.941 32.600 -0.046 0.000 1.669 300 M HN 0.364 nan 8.290 nan 0.000 0.461 301 N N 4.193 122.806 118.700 -0.145 0.000 2.511 301 N HA 0.382 5.024 4.740 -0.164 0.000 0.249 301 N C -2.620 172.859 175.510 -0.053 0.000 0.971 301 N CA -1.225 51.760 53.050 -0.109 0.000 0.938 301 N CB 1.694 40.141 38.487 -0.067 0.000 1.131 301 N HN 0.544 nan 8.380 nan 0.000 0.505 302 P HA 0.061 nan 4.420 nan 0.000 0.232 302 P C -0.567 176.733 177.300 0.001 0.000 1.738 302 P CA 0.264 63.353 63.100 -0.019 0.000 0.948 302 P CB -0.246 31.438 31.700 -0.027 0.000 1.943 303 R N -2.121 118.392 120.500 0.021 0.000 2.888 303 R HA 0.427 4.669 4.340 -0.164 0.000 0.277 303 R C -0.616 175.739 176.300 0.091 0.000 0.981 303 R CA -1.116 55.012 56.100 0.047 0.000 0.841 303 R CB -0.245 30.074 30.300 0.032 0.000 1.405 303 R HN -0.153 nan 8.270 nan 0.000 0.472 304 V N -0.407 119.592 119.914 0.141 0.000 3.185 304 V HA 0.744 4.766 4.120 -0.164 0.000 0.305 304 V C 0.196 176.468 176.094 0.296 0.000 1.090 304 V CA 0.428 62.843 62.300 0.192 0.000 1.107 304 V CB 1.108 33.049 31.823 0.196 0.000 1.061 304 V HN 1.058 nan 8.190 nan 0.000 0.480 305 S N 2.018 117.838 115.700 0.201 0.000 2.752 305 S HA 0.466 4.838 4.470 -0.164 0.000 0.284 305 S C 0.675 175.252 174.600 -0.038 0.000 1.189 305 S CA -0.472 57.841 58.200 0.187 0.000 0.835 305 S CB 1.556 64.838 63.200 0.137 0.000 1.192 305 S HN 1.132 nan 8.310 nan 0.000 0.506 306 R N 0.302 120.769 120.500 -0.055 0.000 2.148 306 R HA 0.087 4.329 4.340 -0.164 0.000 0.227 306 R C 1.549 177.823 176.300 -0.043 0.000 1.103 306 R CA 1.736 57.763 56.100 -0.121 0.000 0.983 306 R CB -0.816 29.429 30.300 -0.091 0.000 0.874 306 R HN 0.425 nan 8.270 nan 0.000 0.451 307 S N 1.094 116.798 115.700 0.006 0.000 2.377 307 S HA -0.102 4.270 4.470 -0.164 0.000 0.223 307 S C 2.005 176.622 174.600 0.029 0.000 1.030 307 S CA 1.257 59.469 58.200 0.020 0.000 0.970 307 S CB -0.031 63.188 63.200 0.031 0.000 0.830 307 S HN 0.670 nan 8.310 nan 0.000 0.473 308 S N 2.063 117.790 115.700 0.045 0.000 2.399 308 S HA -0.006 4.366 4.470 -0.164 0.000 0.231 308 S C 1.968 176.627 174.600 0.098 0.000 1.022 308 S CA 1.009 59.250 58.200 0.069 0.000 0.983 308 S CB -0.510 62.742 63.200 0.087 0.000 0.803 308 S HN 0.479 nan 8.310 nan 0.000 0.480 309 A N 1.832 124.694 122.820 0.071 0.000 1.897 309 A HA 0.164 4.386 4.320 -0.164 0.000 0.215 309 A C 2.221 179.795 177.584 -0.018 0.000 1.181 309 A CA 1.391 53.467 52.037 0.066 0.000 0.620 309 A CB -0.866 18.121 19.000 -0.021 0.000 0.821 309 A HN 0.550 nan 8.150 nan 0.000 0.443 310 L N 0.001 121.213 121.223 -0.018 0.000 2.017 310 L HA -0.059 4.182 4.340 -0.164 0.000 0.208 310 L C 2.615 179.492 176.870 0.012 0.000 1.073 310 L CA 2.335 57.165 54.840 -0.016 0.000 0.745 310 L CB -0.953 41.103 42.059 -0.004 0.000 0.894 310 L HN 0.333 nan 8.230 nan 0.000 0.432 311 A N -1.003 121.838 122.820 0.036 0.000 1.892 311 A HA -0.248 3.974 4.320 -0.164 0.000 0.218 311 A C 2.379 180.022 177.584 0.099 0.000 1.188 311 A CA 2.325 54.393 52.037 0.051 0.000 0.631 311 A CB -1.225 17.795 19.000 0.034 0.000 0.822 311 A HN 0.581 nan 8.150 nan 0.000 0.447 312 S N -0.250 115.538 115.700 0.146 0.000 2.365 312 S HA -0.200 4.171 4.470 -0.164 0.000 0.225 312 S C 2.061 176.809 174.600 0.245 0.000 1.039 312 S CA 1.910 60.261 58.200 0.251 0.000 1.033 312 S CB -0.294 63.105 63.200 0.332 0.000 0.887 312 S HN 0.523 nan 8.310 nan 0.000 0.447 313 K N 1.916 122.391 120.400 0.125 0.000 1.985 313 K HA 0.109 4.330 4.320 -0.164 0.000 0.210 313 K C 2.296 178.954 176.600 0.097 0.000 1.047 313 K CA 1.437 57.786 56.287 0.104 0.000 0.932 313 K CB -1.134 31.327 32.500 -0.065 0.000 0.716 313 K HN 0.298 nan 8.250 nan 0.000 0.439 314 A N 0.158 122.989 122.820 0.018 0.000 1.917 314 A HA -0.235 3.987 4.320 -0.164 0.000 0.219 314 A C 2.234 179.900 177.584 0.138 0.000 1.182 314 A CA 2.900 54.958 52.037 0.034 0.000 0.633 314 A CB -1.114 17.912 19.000 0.043 0.000 0.819 314 A HN 0.570 nan 8.150 nan 0.000 0.448 315 T N -5.838 108.815 114.554 0.165 0.000 3.042 315 T HA 0.429 4.681 4.350 -0.164 0.000 0.245 315 T C 1.518 176.386 174.700 0.280 0.000 1.029 315 T CA 1.155 63.374 62.100 0.199 0.000 1.120 315 T CB 0.227 69.199 68.868 0.173 0.000 0.917 315 T HN 1.780 nan 8.240 nan 0.000 0.467 316 G N 1.095 110.117 108.800 0.371 0.000 2.159 316 G HA2 -0.164 3.698 3.960 -0.164 0.000 0.227 316 G HA3 -0.164 3.698 3.960 -0.164 0.000 0.227 316 G C -0.237 174.954 174.900 0.484 0.000 0.986 316 G CA -0.108 45.276 45.100 0.473 0.000 0.651 316 G HN 0.628 nan 8.290 nan 0.000 0.523 317 F N 3.785 123.897 119.950 0.271 0.000 2.371 317 F HA 0.607 5.036 4.527 -0.164 0.000 0.363 317 F C -2.004 173.932 175.800 0.227 0.000 1.122 317 F CA -3.461 54.676 58.000 0.228 0.000 1.129 317 F CB 1.558 40.620 39.000 0.103 0.000 1.173 317 F HN -0.065 nan 8.300 nan 0.000 0.489 318 P HA 0.138 nan 4.420 nan 0.000 0.260 318 P C 0.989 178.471 177.300 0.303 0.000 1.651 318 P CA 0.334 63.599 63.100 0.275 0.000 1.139 318 P CB 0.172 31.953 31.700 0.135 0.000 1.756 319 I N 2.403 123.221 120.570 0.414 0.000 2.127 319 I HA -0.312 3.760 4.170 -0.164 0.000 0.241 319 I C 2.482 178.713 176.117 0.190 0.000 1.075 319 I CA 1.978 63.488 61.300 0.349 0.000 1.334 319 I CB -0.750 37.389 38.000 0.231 0.000 1.040 319 I HN 0.204 nan 8.210 nan 0.000 0.405 320 A N 0.468 123.351 122.820 0.106 0.000 1.865 320 A HA -0.283 3.939 4.320 -0.164 0.000 0.217 320 A C 2.336 179.922 177.584 0.003 0.000 1.191 320 A CA 2.056 54.106 52.037 0.021 0.000 0.623 320 A CB -0.634 18.311 19.000 -0.092 0.000 0.826 320 A HN 0.313 nan 8.150 nan 0.000 0.444 321 K N -0.687 119.700 120.400 -0.023 0.000 2.001 321 K HA -0.144 4.078 4.320 -0.164 0.000 0.214 321 K C 1.938 178.539 176.600 0.003 0.000 1.050 321 K CA 1.825 58.095 56.287 -0.029 0.000 0.934 321 K CB -0.488 31.988 32.500 -0.040 0.000 0.718 321 K HN 0.279 nan 8.250 nan 0.000 0.443 322 V N 1.102 121.039 119.914 0.038 0.000 2.255 322 V HA -0.316 3.706 4.120 -0.164 0.000 0.247 322 V C 2.311 178.457 176.094 0.086 0.000 1.051 322 V CA 2.112 64.449 62.300 0.060 0.000 1.018 322 V CB -0.852 31.063 31.823 0.152 0.000 0.641 322 V HN 0.468 nan 8.190 nan 0.000 0.445 323 A N -0.046 122.838 122.820 0.106 0.000 1.927 323 A HA -0.253 3.968 4.320 -0.164 0.000 0.220 323 A C 2.422 180.042 177.584 0.060 0.000 1.185 323 A CA 2.656 54.746 52.037 0.088 0.000 0.639 323 A CB -0.912 18.139 19.000 0.084 0.000 0.820 323 A HN 0.635 nan 8.150 nan 0.000 0.451 324 A N -0.198 122.644 122.820 0.038 0.000 1.841 324 A HA -0.199 4.023 4.320 -0.164 0.000 0.216 324 A C 2.095 179.700 177.584 0.034 0.000 1.199 324 A CA 1.880 53.925 52.037 0.014 0.000 0.621 324 A CB -0.601 18.396 19.000 -0.006 0.000 0.835 324 A HN 0.539 nan 8.150 nan 0.000 0.445 325 K N -0.938 119.495 120.400 0.054 0.000 2.113 325 K HA -0.173 4.049 4.320 -0.164 0.000 0.208 325 K C 1.801 178.552 176.600 0.252 0.000 1.047 325 K CA 1.386 57.767 56.287 0.156 0.000 0.928 325 K CB -0.430 32.046 32.500 -0.040 0.000 0.716 325 K HN 0.302 nan 8.250 nan 0.000 0.446 326 L N 0.847 122.162 121.223 0.153 0.000 2.083 326 L HA -0.124 4.118 4.340 -0.164 0.000 0.209 326 L C 2.346 179.274 176.870 0.097 0.000 1.083 326 L CA 1.599 56.528 54.840 0.148 0.000 0.752 326 L CB -0.873 41.254 42.059 0.113 0.000 0.899 326 L HN 0.142 nan 8.230 nan 0.000 0.433 327 A N -0.778 122.078 122.820 0.059 0.000 2.024 327 A HA -0.129 4.092 4.320 -0.164 0.000 0.220 327 A C 1.716 179.294 177.584 -0.011 0.000 1.164 327 A CA 1.602 53.648 52.037 0.016 0.000 0.643 327 A CB -0.889 18.106 19.000 -0.008 0.000 0.806 327 A HN 0.345 nan 8.150 nan 0.000 0.451 328 V N -3.894 116.018 119.914 -0.004 0.000 3.189 328 V HA 0.597 4.618 4.120 -0.164 0.000 0.366 328 V C 1.059 177.131 176.094 -0.038 0.000 1.313 328 V CA 0.451 62.717 62.300 -0.058 0.000 1.302 328 V CB -1.017 30.661 31.823 -0.241 0.000 1.260 328 V HN 1.383 nan 8.190 nan 0.000 0.484 329 G N -0.566 108.226 108.800 -0.014 0.000 2.195 329 G HA2 -0.312 3.550 3.960 -0.164 0.000 0.246 329 G HA3 -0.312 3.550 3.960 -0.164 0.000 0.246 329 G C -0.059 174.797 174.900 -0.073 0.000 0.984 329 G CA 0.298 45.363 45.100 -0.058 0.000 0.633 329 G HN 0.623 nan 8.290 nan 0.000 0.525 330 Y N 1.911 122.240 120.300 0.047 0.000 2.357 330 Y HA 0.448 4.899 4.550 -0.164 0.000 0.340 330 Y C 1.530 177.459 175.900 0.048 0.000 1.260 330 Y CA 0.901 59.032 58.100 0.051 0.000 1.425 330 Y CB 0.843 39.336 38.460 0.053 0.000 1.326 330 Y HN 0.288 nan 8.280 nan 0.000 0.580 331 T N -1.225 113.474 114.554 0.242 0.000 2.918 331 T HA 0.358 4.610 4.350 -0.164 0.000 0.286 331 T C 0.809 175.603 174.700 0.156 0.000 1.026 331 T CA -0.905 61.289 62.100 0.158 0.000 1.031 331 T CB 1.099 70.032 68.868 0.109 0.000 1.046 331 T HN 0.640 nan 8.240 nan 0.000 0.479 332 L N 1.071 122.375 121.223 0.134 0.000 2.021 332 L HA -0.173 4.069 4.340 -0.164 0.000 0.215 332 L C 2.569 179.513 176.870 0.123 0.000 1.074 332 L CA 2.084 57.008 54.840 0.140 0.000 0.760 332 L CB -0.610 41.543 42.059 0.157 0.000 0.889 332 L HN 0.849 nan 8.230 nan 0.000 0.433 333 D N -0.724 119.741 120.400 0.108 0.000 2.350 333 D HA -0.185 4.357 4.640 -0.164 0.000 0.216 333 D C 1.497 177.841 176.300 0.073 0.000 0.968 333 D CA 0.850 54.901 54.000 0.085 0.000 0.894 333 D CB -0.230 40.614 40.800 0.074 0.000 0.909 333 D HN 0.506 nan 8.370 nan 0.000 0.520 334 E N -0.110 120.149 120.200 0.098 0.000 2.385 334 E HA 0.152 4.404 4.350 -0.164 0.000 0.194 334 E C 0.527 177.157 176.600 0.051 0.000 1.013 334 E CA -0.002 56.463 56.400 0.109 0.000 0.866 334 E CB 0.467 30.296 29.700 0.214 0.000 0.832 334 E HN 0.317 nan 8.360 nan 0.000 0.500 335 L N 1.432 122.669 121.223 0.023 0.000 2.343 335 L HA 0.322 4.564 4.340 -0.164 0.000 0.275 335 L C 0.155 176.996 176.870 -0.049 0.000 1.056 335 L CA -0.711 54.097 54.840 -0.053 0.000 0.804 335 L CB 0.852 42.868 42.059 -0.071 0.000 1.203 335 L HN -0.037 nan 8.230 nan 0.000 0.440 336 M N 1.624 121.175 119.600 -0.082 0.000 2.367 336 M HA 0.231 4.612 4.480 -0.164 0.000 0.339 336 M C -0.346 175.886 176.300 -0.113 0.000 1.177 336 M CA -0.658 54.587 55.300 -0.092 0.000 1.068 336 M CB 0.922 33.470 32.600 -0.087 0.000 1.602 336 M HN 0.407 nan 8.290 nan 0.000 0.457 337 N N 1.897 120.514 118.700 -0.138 0.000 2.399 337 N HA 0.027 4.668 4.740 -0.164 0.000 0.259 337 N C 0.349 175.784 175.510 -0.126 0.000 1.160 337 N CA 0.301 53.263 53.050 -0.146 0.000 0.946 337 N CB 0.411 38.784 38.487 -0.190 0.000 1.156 337 N HN 0.425 nan 8.380 nan 0.000 0.489 338 D N 2.591 122.933 120.400 -0.096 0.000 2.421 338 D HA -0.285 4.256 4.640 -0.164 0.000 0.195 338 D C 1.704 177.922 176.300 -0.137 0.000 1.022 338 D CA 2.426 56.388 54.000 -0.063 0.000 0.871 338 D CB -0.261 40.582 40.800 0.072 0.000 1.026 338 D HN 0.798 nan 8.370 nan 0.000 0.462 339 I N -1.421 119.031 120.570 -0.196 0.000 2.700 339 I HA -0.099 3.973 4.170 -0.164 0.000 0.261 339 I C 1.325 177.375 176.117 -0.112 0.000 1.219 339 I CA 1.530 62.701 61.300 -0.215 0.000 1.463 339 I CB -0.623 37.195 38.000 -0.303 0.000 1.092 339 I HN -0.031 nan 8.210 nan 0.000 0.452 340 T N -1.492 112.997 114.554 -0.108 0.000 3.287 340 T HA 0.505 4.757 4.350 -0.164 0.000 0.253 340 T C 1.250 175.892 174.700 -0.096 0.000 0.975 340 T CA -0.021 62.021 62.100 -0.097 0.000 0.912 340 T CB -0.470 68.297 68.868 -0.167 0.000 1.071 340 T HN 0.750 nan 8.240 nan 0.000 0.578 341 G N 0.795 109.544 108.800 -0.085 0.000 2.295 341 G HA2 0.057 3.918 3.960 -0.164 0.000 0.287 341 G HA3 0.057 3.918 3.960 -0.164 0.000 0.287 341 G C 1.119 175.972 174.900 -0.077 0.000 1.055 341 G CA 0.102 45.162 45.100 -0.067 0.000 0.922 341 G HN 1.769 nan 8.290 nan 0.000 0.503 342 G N -1.186 107.555 108.800 -0.098 0.000 2.200 342 G HA2 -0.393 3.469 3.960 -0.164 0.000 0.267 342 G HA3 -0.393 3.469 3.960 -0.164 0.000 0.267 342 G C 1.276 176.105 174.900 -0.117 0.000 0.993 342 G CA 1.475 46.514 45.100 -0.101 0.000 0.701 342 G HN 0.974 nan 8.290 nan 0.000 0.524 343 R N 0.108 120.524 120.500 -0.140 0.000 2.075 343 R HA 0.151 4.393 4.340 -0.164 0.000 0.232 343 R C 2.093 178.257 176.300 -0.227 0.000 1.126 343 R CA 1.707 57.716 56.100 -0.151 0.000 0.963 343 R CB -0.213 30.011 30.300 -0.125 0.000 0.858 343 R HN 0.644 nan 8.270 nan 0.000 0.435 344 T N -0.847 113.498 114.554 -0.347 0.000 2.945 344 T HA 0.504 4.756 4.350 -0.164 0.000 0.286 344 T C -2.624 171.885 174.700 -0.318 0.000 1.025 344 T CA -2.607 59.227 62.100 -0.443 0.000 1.039 344 T CB 2.071 70.445 68.868 -0.824 0.000 1.068 344 T HN -0.172 nan 8.240 nan 0.000 0.497 345 P HA 0.326 nan 4.420 nan 0.000 0.274 345 P C 0.320 177.631 177.300 0.018 0.000 1.256 345 P CA -0.462 62.586 63.100 -0.087 0.000 0.795 345 P CB 0.516 32.208 31.700 -0.013 0.000 1.038 346 A N 0.534 123.426 122.820 0.121 0.000 2.123 346 A HA 0.029 4.251 4.320 -0.164 0.000 0.214 346 A C 1.071 178.934 177.584 0.465 0.000 1.152 346 A CA 0.592 52.784 52.037 0.258 0.000 0.728 346 A CB -1.138 17.918 19.000 0.094 0.000 0.814 346 A HN 0.591 nan 8.150 nan 0.000 0.464 347 S N 0.700 116.600 115.700 0.332 0.000 2.701 347 S HA 0.554 4.926 4.470 -0.164 0.000 0.317 347 S C -0.400 174.440 174.600 0.400 0.000 1.149 347 S CA -0.451 57.925 58.200 0.292 0.000 1.052 347 S CB -1.193 62.114 63.200 0.178 0.000 1.257 347 S HN 0.892 nan 8.310 nan 0.000 0.532 348 F N -1.403 118.634 119.950 0.145 0.000 2.842 348 F HA 0.601 5.030 4.527 -0.163 0.000 0.319 348 F C -1.689 174.182 175.800 0.118 0.000 1.159 348 F CA -1.238 56.831 58.000 0.115 0.000 0.902 348 F CB 0.785 39.844 39.000 0.098 0.000 1.311 348 F HN 0.236 nan 8.300 nan 0.000 0.453 349 E N 2.428 122.543 120.200 -0.142 0.000 2.158 349 E HA 0.426 4.678 4.350 -0.164 0.000 0.271 349 E C -2.666 173.786 176.600 -0.247 0.000 0.911 349 E CA -2.012 54.209 56.400 -0.299 0.000 0.767 349 E CB 1.837 31.485 29.700 -0.087 0.000 1.120 349 E HN 0.286 nan 8.360 nan 0.000 0.405 350 P HA 0.013 nan 4.420 nan 0.000 0.272 350 P C -0.802 176.522 177.300 0.039 0.000 1.230 350 P CA -0.200 62.881 63.100 -0.033 0.000 0.788 350 P CB 0.795 32.477 31.700 -0.031 0.000 0.949 351 S N 1.472 117.236 115.700 0.107 0.000 2.614 351 S HA 0.703 5.075 4.470 -0.164 0.000 0.288 351 S C -0.701 173.879 174.600 -0.033 0.000 1.137 351 S CA -0.791 57.420 58.200 0.019 0.000 0.992 351 S CB -0.019 63.206 63.200 0.042 0.000 1.026 351 S HN 0.363 nan 8.310 nan 0.000 0.486 352 I N 1.683 122.151 120.570 -0.170 0.000 2.693 352 I HA 0.718 4.790 4.170 -0.164 0.000 0.303 352 I C -0.634 175.250 176.117 -0.387 0.000 1.025 352 I CA -0.871 60.185 61.300 -0.406 0.000 1.086 352 I CB 2.153 39.684 38.000 -0.781 0.000 1.268 352 I HN 0.561 nan 8.210 nan 0.000 0.440 353 D N 3.978 124.129 120.400 -0.416 0.000 2.755 353 D HA 0.258 4.800 4.640 -0.164 0.000 0.257 353 D C -0.636 175.657 176.300 -0.011 0.000 1.291 353 D CA -0.178 53.743 54.000 -0.132 0.000 0.836 353 D CB -0.284 40.540 40.800 0.040 0.000 1.059 353 D HN 0.740 nan 8.370 nan 0.000 0.486 354 Y N -3.430 116.877 120.300 0.012 0.000 2.788 354 Y HA 0.667 5.118 4.550 -0.164 0.000 0.335 354 Y C -1.635 174.246 175.900 -0.033 0.000 1.287 354 Y CA -1.690 56.393 58.100 -0.029 0.000 1.068 354 Y CB 0.810 39.153 38.460 -0.195 0.000 1.340 354 Y HN -0.219 nan 8.280 nan 0.000 0.449 355 V N 2.089 122.137 119.914 0.223 0.000 2.448 355 V HA 0.607 4.629 4.120 -0.164 0.000 0.295 355 V C -0.722 175.475 176.094 0.171 0.000 1.025 355 V CA -0.851 61.553 62.300 0.172 0.000 0.859 355 V CB 1.432 33.368 31.823 0.189 0.000 0.988 355 V HN 0.662 nan 8.190 nan 0.000 0.431 356 V N 3.839 123.840 119.914 0.145 0.000 2.435 356 V HA 0.560 4.582 4.120 -0.164 0.000 0.290 356 V C 0.236 176.374 176.094 0.072 0.000 1.030 356 V CA -0.210 62.134 62.300 0.074 0.000 0.881 356 V CB 1.974 33.834 31.823 0.062 0.000 0.983 356 V HN 0.969 nan 8.190 nan 0.000 0.445 357 T N 5.038 119.620 114.554 0.047 0.000 2.856 357 T HA 0.488 4.740 4.350 -0.164 0.000 0.283 357 T C -0.512 174.197 174.700 0.015 0.000 1.008 357 T CA -0.712 61.410 62.100 0.037 0.000 0.997 357 T CB 1.647 70.527 68.868 0.019 0.000 0.992 357 T HN 0.689 nan 8.240 nan 0.000 0.454 358 K N 3.388 123.788 120.400 0.000 0.000 2.324 358 K HA 0.622 4.844 4.320 -0.164 0.000 0.253 358 K C -1.487 175.091 176.600 -0.036 0.000 0.932 358 K CA -0.708 55.579 56.287 -0.001 0.000 0.799 358 K CB 1.227 33.733 32.500 0.009 0.000 1.154 358 K HN 0.602 nan 8.250 nan 0.000 0.425 359 I N 5.177 125.725 120.570 -0.036 0.000 2.498 359 I HA 0.358 4.430 4.170 -0.164 0.000 0.290 359 I C -2.346 173.751 176.117 -0.033 0.000 1.032 359 I CA -2.685 58.584 61.300 -0.051 0.000 1.073 359 I CB 2.273 40.228 38.000 -0.076 0.000 1.251 359 I HN 0.485 nan 8.210 nan 0.000 0.426 360 P HA 0.319 nan 4.420 nan 0.000 0.281 360 P C -1.056 176.098 177.300 -0.243 0.000 1.249 360 P CA -0.680 62.307 63.100 -0.188 0.000 0.810 360 P CB 0.909 32.436 31.700 -0.289 0.000 1.008 361 R N 1.970 122.240 120.500 -0.384 0.000 2.387 361 R HA 0.607 4.849 4.340 -0.164 0.000 0.314 361 R C -1.233 174.773 176.300 -0.490 0.000 0.958 361 R CA -0.427 55.531 56.100 -0.238 0.000 0.846 361 R CB -0.215 30.013 30.300 -0.119 0.000 1.147 361 R HN 0.288 nan 8.270 nan 0.000 0.447 362 F N 1.658 121.611 119.950 0.004 0.000 2.572 362 F HA 0.472 4.894 4.527 -0.175 0.000 0.342 362 F C 0.670 176.406 175.800 -0.107 0.000 1.064 362 F CA -0.735 57.195 58.000 -0.116 0.000 1.008 362 F CB 1.773 40.691 39.000 -0.137 0.000 1.303 362 F HN 0.537 nan 8.300 nan 0.000 0.492 363 N N -0.226 118.471 118.700 -0.005 0.000 2.622 363 N HA 0.205 4.847 4.740 -0.164 0.000 0.293 363 N C 0.114 175.674 175.510 0.083 0.000 1.788 363 N CA 0.009 53.089 53.050 0.049 0.000 0.860 363 N CB 0.187 38.731 38.487 0.095 0.000 1.388 363 N HN 0.354 nan 8.380 nan 0.000 0.496 364 F N 1.613 121.673 119.950 0.182 0.000 2.269 364 F HA -0.152 4.263 4.527 -0.186 0.000 0.301 364 F C 2.694 178.509 175.800 0.025 0.000 1.082 364 F CA 0.924 58.986 58.000 0.102 0.000 1.360 364 F CB 0.056 39.084 39.000 0.047 0.000 1.041 364 F HN 0.328 nan 8.300 nan 0.000 0.512 365 E N 1.138 121.426 120.200 0.147 0.000 2.463 365 E HA -0.199 4.053 4.350 -0.164 0.000 0.201 365 E C 1.186 177.714 176.600 -0.119 0.000 1.045 365 E CA 1.061 57.470 56.400 0.015 0.000 0.872 365 E CB -0.569 29.129 29.700 -0.003 0.000 0.797 365 E HN 0.405 nan 8.360 nan 0.000 0.538 366 K N -0.215 120.019 120.400 -0.277 0.000 2.367 366 K HA 0.141 4.363 4.320 -0.164 0.000 0.194 366 K C -0.355 175.578 176.600 -1.112 0.000 1.027 366 K CA 0.051 55.918 56.287 -0.699 0.000 1.075 366 K CB 0.347 32.274 32.500 -0.954 0.000 0.845 366 K HN 0.053 nan 8.250 nan 0.000 0.529 367 F N -0.248 119.651 119.950 -0.084 0.000 2.593 367 F HA 0.322 4.843 4.527 -0.009 0.000 0.336 367 F C 1.030 176.804 175.800 -0.043 0.000 1.491 367 F CA -0.798 57.144 58.000 -0.095 0.000 1.114 367 F CB 0.396 39.173 39.000 -0.371 0.000 1.468 367 F HN -0.162 nan 8.300 nan 0.000 0.579 368 A N 1.125 123.979 122.820 0.057 0.000 1.909 368 A HA -0.248 3.974 4.320 -0.164 0.000 0.221 368 A C 2.483 180.098 177.584 0.051 0.000 1.223 368 A CA 2.528 54.588 52.037 0.039 0.000 0.658 368 A CB -1.210 17.794 19.000 0.007 0.000 0.831 368 A HN 0.719 nan 8.150 nan 0.000 0.462 369 G N -1.059 107.784 108.800 0.072 0.000 2.559 369 G HA2 0.306 4.168 3.960 -0.164 0.000 0.216 369 G HA3 0.306 4.168 3.960 -0.164 0.000 0.216 369 G C 0.719 175.671 174.900 0.086 0.000 1.126 369 G CA 0.847 45.987 45.100 0.065 0.000 0.778 369 G HN 0.974 nan 8.290 nan 0.000 0.543 370 A N 0.414 123.309 122.820 0.125 0.000 2.407 370 A HA 0.377 4.599 4.320 -0.164 0.000 0.248 370 A C 0.508 178.138 177.584 0.077 0.000 1.082 370 A CA -0.508 51.623 52.037 0.156 0.000 0.785 370 A CB 0.246 19.334 19.000 0.147 0.000 1.020 370 A HN 0.232 nan 8.150 nan 0.000 0.489 371 N N 1.442 120.205 118.700 0.106 0.000 2.416 371 N HA 0.007 4.649 4.740 -0.164 0.000 0.265 371 N C -0.403 175.055 175.510 -0.087 0.000 1.195 371 N CA 0.063 53.120 53.050 0.013 0.000 0.943 371 N CB 0.792 39.313 38.487 0.057 0.000 1.115 371 N HN 0.595 nan 8.380 nan 0.000 0.481 372 D N 2.317 122.474 120.400 -0.406 0.000 2.358 372 D HA 0.051 4.593 4.640 -0.164 0.000 0.224 372 D C -0.190 175.685 176.300 -0.709 0.000 1.123 372 D CA -0.131 53.193 54.000 -1.127 0.000 0.833 372 D CB 0.136 40.164 40.800 -1.286 0.000 0.946 372 D HN 0.184 nan 8.370 nan 0.000 0.505 373 R N 0.868 121.194 120.500 -0.289 0.000 2.349 373 R HA 0.369 4.611 4.340 -0.164 0.000 0.299 373 R C 0.277 176.564 176.300 -0.021 0.000 1.027 373 R CA -0.674 55.337 56.100 -0.149 0.000 0.958 373 R CB 1.255 31.503 30.300 -0.086 0.000 1.047 373 R HN 0.205 nan 8.270 nan 0.000 0.468 374 L N 1.704 122.930 121.223 0.005 0.000 2.410 374 L HA 0.190 4.432 4.340 -0.164 0.000 0.273 374 L C 1.244 178.185 176.870 0.119 0.000 1.152 374 L CA 0.405 55.307 54.840 0.103 0.000 0.855 374 L CB 0.625 42.745 42.059 0.100 0.000 1.129 374 L HN 0.647 nan 8.230 nan 0.000 0.463 375 T N -0.813 113.831 114.554 0.151 0.000 2.564 375 T HA 0.184 4.436 4.350 -0.164 0.000 0.265 375 T C 1.037 175.824 174.700 0.145 0.000 0.908 375 T CA 0.397 62.577 62.100 0.133 0.000 1.166 375 T CB 1.144 70.083 68.868 0.119 0.000 1.497 375 T HN 0.720 nan 8.240 nan 0.000 0.484 376 T N -0.504 114.118 114.554 0.114 0.000 3.055 376 T HA 0.161 4.413 4.350 -0.164 0.000 0.265 376 T C 0.792 175.579 174.700 0.145 0.000 1.111 376 T CA 0.481 62.666 62.100 0.141 0.000 1.118 376 T CB -0.127 68.790 68.868 0.081 0.000 0.909 376 T HN 0.500 nan 8.240 nan 0.000 0.501 377 Q N 1.042 120.877 119.800 0.059 0.000 2.278 377 Q HA 0.397 4.639 4.340 -0.164 0.000 0.257 377 Q C -0.597 175.363 176.000 -0.068 0.000 0.928 377 Q CA -0.504 55.276 55.803 -0.038 0.000 0.932 377 Q CB 0.900 29.609 28.738 -0.049 0.000 1.221 377 Q HN 0.412 nan 8.270 nan 0.000 0.434 378 M N 3.581 123.038 119.600 -0.238 0.000 2.252 378 M HA -0.009 4.373 4.480 -0.164 0.000 0.333 378 M C 0.418 176.680 176.300 -0.063 0.000 1.111 378 M CA 1.208 56.413 55.300 -0.160 0.000 1.140 378 M CB 0.511 32.923 32.600 -0.314 0.000 1.538 378 M HN 0.590 nan 8.290 nan 0.000 0.448 379 K N 0.021 120.480 120.400 0.099 0.000 2.517 379 K HA 0.108 4.330 4.320 -0.164 0.000 0.210 379 K C 0.089 176.763 176.600 0.123 0.000 1.166 379 K CA -0.124 56.251 56.287 0.146 0.000 1.030 379 K CB 0.832 33.605 32.500 0.455 0.000 0.974 379 K HN 0.760 nan 8.250 nan 0.000 0.585 380 S N 0.325 116.011 115.700 -0.024 0.000 2.592 380 S HA 0.121 4.493 4.470 -0.164 0.000 0.271 380 S C 1.229 175.669 174.600 -0.267 0.000 1.326 380 S CA -0.634 57.281 58.200 -0.475 0.000 1.024 380 S CB 1.506 64.146 63.200 -0.934 0.000 0.921 380 S HN 0.039 nan 8.310 nan 0.000 0.527 381 V N -0.504 119.251 119.914 -0.265 0.000 3.565 381 V HA 0.607 4.629 4.120 -0.164 0.000 0.260 381 V C 0.888 176.906 176.094 -0.127 0.000 1.231 381 V CA 0.778 62.997 62.300 -0.135 0.000 1.100 381 V CB -0.896 30.891 31.823 -0.060 0.000 0.807 381 V HN 1.126 nan 8.190 nan 0.000 0.454 382 G N 0.374 109.069 108.800 -0.175 0.000 2.731 382 G HA2 0.719 4.580 3.960 -0.164 0.000 0.309 382 G HA3 0.719 4.580 3.960 -0.164 0.000 0.309 382 G C -1.704 173.110 174.900 -0.142 0.000 1.273 382 G CA -0.149 44.878 45.100 -0.121 0.000 0.798 382 G HN 0.610 nan 8.290 nan 0.000 0.509 383 E N -1.971 118.175 120.200 -0.090 0.000 2.388 383 E HA 0.548 4.799 4.350 -0.164 0.000 0.280 383 E C -1.907 174.678 176.600 -0.025 0.000 1.019 383 E CA -0.908 55.450 56.400 -0.071 0.000 0.806 383 E CB 2.356 32.020 29.700 -0.060 0.000 1.246 383 E HN 0.707 nan 8.360 nan 0.000 0.443 384 V N 2.323 122.235 119.914 -0.003 0.000 2.815 384 V HA 0.768 4.790 4.120 -0.164 0.000 0.314 384 V C -1.020 175.125 176.094 0.086 0.000 1.064 384 V CA -0.722 61.600 62.300 0.037 0.000 0.952 384 V CB 1.910 33.748 31.823 0.024 0.000 1.020 384 V HN 0.848 nan 8.190 nan 0.000 0.439 385 M N 5.333 125.052 119.600 0.198 0.000 2.572 385 M HA 0.905 5.286 4.480 -0.164 0.000 0.299 385 M C -1.199 175.306 176.300 0.343 0.000 1.205 385 M CA -0.370 55.080 55.300 0.250 0.000 0.876 385 M CB 2.112 34.894 32.600 0.304 0.000 1.728 385 M HN 0.900 nan 8.290 nan 0.000 0.458 386 A N 3.855 126.776 122.820 0.169 0.000 2.556 386 A HA 0.870 5.092 4.320 -0.164 0.000 0.294 386 A C -1.678 175.905 177.584 -0.002 0.000 1.091 386 A CA -0.783 51.344 52.037 0.149 0.000 0.704 386 A CB 1.563 20.631 19.000 0.113 0.000 1.300 386 A HN 0.861 nan 8.150 nan 0.000 0.406 387 I N 0.898 121.434 120.570 -0.056 0.000 2.498 387 I HA 0.670 4.742 4.170 -0.164 0.000 0.290 387 I C 0.451 176.456 176.117 -0.186 0.000 1.032 387 I CA -0.576 60.535 61.300 -0.315 0.000 1.073 387 I CB 2.267 39.732 38.000 -0.891 0.000 1.251 387 I HN 0.818 nan 8.210 nan 0.000 0.426 388 G N 3.933 112.662 108.800 -0.119 0.000 2.733 388 G HA2 0.444 4.306 3.960 -0.164 0.000 0.288 388 G HA3 0.444 4.306 3.960 -0.164 0.000 0.288 388 G C 0.043 175.023 174.900 0.133 0.000 1.373 388 G CA -0.478 44.661 45.100 0.065 0.000 0.895 388 G HN 0.474 nan 8.290 nan 0.000 0.479 389 R N -0.895 119.733 120.500 0.213 0.000 2.246 389 R HA 0.128 4.369 4.340 -0.164 0.000 0.199 389 R C 0.701 177.104 176.300 0.171 0.000 0.984 389 R CA 0.998 57.236 56.100 0.230 0.000 1.015 389 R CB 0.237 30.677 30.300 0.234 0.000 0.930 389 R HN 0.694 nan 8.270 nan 0.000 0.475 390 T N -3.785 110.857 114.554 0.147 0.000 2.900 390 T HA 0.154 4.405 4.350 -0.164 0.000 0.303 390 T C 0.644 175.418 174.700 0.124 0.000 1.142 390 T CA -0.831 61.345 62.100 0.126 0.000 1.007 390 T CB 2.500 71.423 68.868 0.090 0.000 1.156 390 T HN -0.211 nan 8.240 nan 0.000 0.490 391 Q N 1.133 121.022 119.800 0.148 0.000 2.096 391 Q HA -0.218 4.024 4.340 -0.164 0.000 0.208 391 Q C 2.132 178.200 176.000 0.113 0.000 0.993 391 Q CA 2.364 58.276 55.803 0.182 0.000 0.862 391 Q CB -0.549 28.331 28.738 0.236 0.000 0.915 391 Q HN 0.841 nan 8.270 nan 0.000 0.416 392 Q N -0.456 119.376 119.800 0.053 0.000 2.084 392 Q HA -0.204 4.038 4.340 -0.164 0.000 0.202 392 Q C 2.077 178.084 176.000 0.011 0.000 0.978 392 Q CA 1.582 57.398 55.803 0.021 0.000 0.844 392 Q CB -0.157 28.570 28.738 -0.018 0.000 0.898 392 Q HN 0.606 nan 8.270 nan 0.000 0.426 393 E N 0.099 120.322 120.200 0.038 0.000 2.047 393 E HA -0.186 4.066 4.350 -0.164 0.000 0.191 393 E C 2.099 178.728 176.600 0.049 0.000 0.987 393 E CA 1.239 57.666 56.400 0.045 0.000 0.799 393 E CB -0.095 29.663 29.700 0.096 0.000 0.752 393 E HN 0.133 nan 8.360 nan 0.000 0.449 394 S N -0.047 115.694 115.700 0.069 0.000 2.359 394 S HA -0.192 4.180 4.470 -0.164 0.000 0.224 394 S C 1.968 176.587 174.600 0.031 0.000 1.035 394 S CA 1.353 59.589 58.200 0.060 0.000 1.018 394 S CB -0.434 62.817 63.200 0.086 0.000 0.876 394 S HN 0.370 nan 8.310 nan 0.000 0.448 395 L N 1.875 123.115 121.223 0.029 0.000 1.989 395 L HA -0.097 4.145 4.340 -0.164 0.000 0.211 395 L C 2.489 179.297 176.870 -0.103 0.000 1.071 395 L CA 2.039 56.864 54.840 -0.026 0.000 0.749 395 L CB -1.086 40.995 42.059 0.037 0.000 0.890 395 L HN 0.382 nan 8.230 nan 0.000 0.431 396 Q N -0.456 119.290 119.800 -0.089 0.000 2.084 396 Q HA -0.245 3.997 4.340 -0.164 0.000 0.202 396 Q C 2.240 178.183 176.000 -0.095 0.000 0.978 396 Q CA 1.869 57.581 55.803 -0.152 0.000 0.844 396 Q CB -0.197 28.436 28.738 -0.175 0.000 0.898 396 Q HN 0.578 nan 8.270 nan 0.000 0.426 397 K N 0.671 121.054 120.400 -0.028 0.000 2.032 397 K HA -0.165 4.057 4.320 -0.164 0.000 0.209 397 K C 2.182 178.790 176.600 0.013 0.000 1.048 397 K CA 1.293 57.594 56.287 0.022 0.000 0.927 397 K CB -0.286 32.259 32.500 0.075 0.000 0.712 397 K HN 0.149 nan 8.250 nan 0.000 0.441 398 A N 1.504 124.321 122.820 -0.005 0.000 1.892 398 A HA -0.197 4.025 4.320 -0.164 0.000 0.218 398 A C 2.170 179.727 177.584 -0.045 0.000 1.188 398 A CA 1.531 53.559 52.037 -0.014 0.000 0.631 398 A CB -0.797 18.181 19.000 -0.036 0.000 0.822 398 A HN 0.192 nan 8.150 nan 0.000 0.447 399 L N -0.534 120.619 121.223 -0.117 0.000 2.046 399 L HA -0.205 4.037 4.340 -0.164 0.000 0.208 399 L C 2.798 179.661 176.870 -0.011 0.000 1.077 399 L CA 1.840 56.611 54.840 -0.115 0.000 0.747 399 L CB -0.455 41.419 42.059 -0.309 0.000 0.896 399 L HN 0.618 nan 8.230 nan 0.000 0.432 400 R N 0.076 120.563 120.500 -0.022 0.000 2.276 400 R HA -0.009 4.233 4.340 -0.164 0.000 0.203 400 R C 1.707 178.020 176.300 0.022 0.000 1.017 400 R CA 1.059 57.167 56.100 0.013 0.000 1.010 400 R CB -0.409 29.901 30.300 0.017 0.000 0.900 400 R HN 0.231 nan 8.270 nan 0.000 0.469 401 G N 0.717 109.530 108.800 0.021 0.000 3.088 401 G HA2 -0.022 3.840 3.960 -0.164 0.000 0.217 401 G HA3 -0.022 3.840 3.960 -0.164 0.000 0.217 401 G C 0.995 175.906 174.900 0.017 0.000 1.159 401 G CA -0.372 44.740 45.100 0.020 0.000 0.760 401 G HN 0.188 nan 8.290 nan 0.000 0.550 402 L N 0.373 121.616 121.223 0.033 0.000 2.362 402 L HA 0.114 4.356 4.340 -0.164 0.000 0.219 402 L C 1.126 178.017 176.870 0.035 0.000 1.134 402 L CA 0.850 55.720 54.840 0.049 0.000 0.807 402 L CB -0.211 41.914 42.059 0.109 0.000 0.927 402 L HN 0.228 nan 8.230 nan 0.000 0.447 403 E N -1.133 119.078 120.200 0.018 0.000 2.694 403 E HA -0.175 4.077 4.350 -0.164 0.000 0.272 403 E C 0.702 177.301 176.600 -0.002 0.000 1.040 403 E CA 0.947 57.345 56.400 -0.002 0.000 0.809 403 E CB -2.234 27.455 29.700 -0.018 0.000 1.389 403 E HN 0.454 nan 8.360 nan 0.000 0.413 404 V N -4.150 115.768 119.914 0.006 0.000 3.176 404 V HA 0.620 4.642 4.120 -0.164 0.000 0.332 404 V C 1.284 177.334 176.094 -0.075 0.000 1.414 404 V CA 0.790 63.073 62.300 -0.028 0.000 1.133 404 V CB 0.625 32.433 31.823 -0.025 0.000 1.088 404 V HN 0.550 nan 8.190 nan 0.000 0.473 405 G N 0.172 108.943 108.800 -0.049 0.000 2.159 405 G HA2 -0.063 3.799 3.960 -0.164 0.000 0.256 405 G HA3 -0.063 3.799 3.960 -0.164 0.000 0.256 405 G C 0.362 175.226 174.900 -0.060 0.000 0.977 405 G CA 0.248 45.313 45.100 -0.059 0.000 0.652 405 G HN 1.708 nan 8.290 nan 0.000 0.531 406 A N 0.165 122.962 122.820 -0.038 0.000 2.327 406 A HA 0.775 4.997 4.320 -0.164 0.000 0.283 406 A C 1.331 178.942 177.584 0.044 0.000 1.127 406 A CA 1.049 53.089 52.037 0.005 0.000 0.810 406 A CB 0.696 19.773 19.000 0.129 0.000 1.066 406 A HN 1.445 nan 8.150 nan 0.000 0.492 407 T N -0.744 113.843 114.554 0.054 0.000 3.069 407 T HA 0.520 4.772 4.350 -0.164 0.000 0.252 407 T C 0.899 175.636 174.700 0.062 0.000 1.053 407 T CA 0.933 63.067 62.100 0.056 0.000 0.964 407 T CB -0.302 68.604 68.868 0.063 0.000 1.005 407 T HN 2.220 nan 8.240 nan 0.000 0.532 408 G N 1.346 110.183 108.800 0.062 0.000 2.286 408 G HA2 0.144 4.005 3.960 -0.164 0.000 0.118 408 G HA3 0.144 4.005 3.960 -0.164 0.000 0.118 408 G C -1.119 173.780 174.900 -0.001 0.000 1.267 408 G CA -0.787 44.283 45.100 -0.049 0.000 1.171 408 G HN 0.182 nan 8.290 nan 0.000 0.465 409 F N 3.733 123.785 119.950 0.169 0.000 2.669 409 F HA 0.285 4.714 4.527 -0.162 0.000 0.353 409 F C 0.546 176.509 175.800 0.271 0.000 1.192 409 F CA -0.424 57.716 58.000 0.234 0.000 1.317 409 F CB -0.061 39.013 39.000 0.123 0.000 1.652 409 F HN 0.069 nan 8.300 nan 0.000 0.608 410 D N 2.763 123.396 120.400 0.387 0.000 2.414 410 D HA 0.078 4.620 4.640 -0.164 0.000 0.242 410 D C -2.197 174.197 176.300 0.156 0.000 1.129 410 D CA -0.915 53.200 54.000 0.190 0.000 0.885 410 D CB 0.762 41.587 40.800 0.042 0.000 1.198 410 D HN 0.102 nan 8.370 nan 0.000 0.437 411 P HA 0.173 nan 4.420 nan 0.000 0.279 411 P C 0.186 177.437 177.300 -0.081 0.000 1.239 411 P CA -0.347 62.769 63.100 0.027 0.000 0.789 411 P CB 1.133 32.855 31.700 0.037 0.000 0.933 412 K N 1.005 121.304 120.400 -0.168 0.000 2.313 412 K HA 0.125 4.346 4.320 -0.164 0.000 0.197 412 K C 0.363 176.903 176.600 -0.099 0.000 1.061 412 K CA 0.543 56.669 56.287 -0.268 0.000 0.980 412 K CB 0.262 32.295 32.500 -0.778 0.000 0.888 412 K HN 0.422 nan 8.250 nan 0.000 0.502 413 V N -0.808 119.086 119.914 -0.034 0.000 2.864 413 V HA 0.579 4.601 4.120 -0.164 0.000 0.314 413 V C -0.453 175.661 176.094 0.033 0.000 1.073 413 V CA -1.245 61.081 62.300 0.044 0.000 0.956 413 V CB 1.850 33.742 31.823 0.114 0.000 1.023 413 V HN 0.075 nan 8.190 nan 0.000 0.435 414 S N 2.755 118.476 115.700 0.034 0.000 2.584 414 S HA 0.523 4.894 4.470 -0.164 0.000 0.273 414 S C 0.875 175.497 174.600 0.037 0.000 1.311 414 S CA -0.708 57.510 58.200 0.030 0.000 1.034 414 S CB 1.273 64.487 63.200 0.023 0.000 0.939 414 S HN 0.722 nan 8.310 nan 0.000 0.513 415 L N 0.810 122.054 121.223 0.036 0.000 2.141 415 L HA -0.092 4.150 4.340 -0.164 0.000 0.209 415 L C 1.323 178.213 176.870 0.033 0.000 1.094 415 L CA 1.208 56.071 54.840 0.038 0.000 0.763 415 L CB -0.623 41.459 42.059 0.038 0.000 0.908 415 L HN 0.759 nan 8.230 nan 0.000 0.437 416 D N -2.408 118.009 120.400 0.028 0.000 2.395 416 D HA -0.020 4.522 4.640 -0.164 0.000 0.226 416 D C 0.194 176.508 176.300 0.023 0.000 1.146 416 D CA -0.206 53.808 54.000 0.024 0.000 0.830 416 D CB -0.320 40.492 40.800 0.020 0.000 0.958 416 D HN -0.003 nan 8.370 nan 0.000 0.501 417 D N 1.360 121.776 120.400 0.027 0.000 2.347 417 D HA 0.097 4.639 4.640 -0.164 0.000 0.235 417 D C -1.294 175.020 176.300 0.025 0.000 1.149 417 D CA -2.274 51.742 54.000 0.026 0.000 0.850 417 D CB 1.731 42.550 40.800 0.032 0.000 1.061 417 D HN -0.072 nan 8.370 nan 0.000 0.487 418 P HA -0.103 nan 4.420 nan 0.000 0.221 418 P C 0.613 177.923 177.300 0.017 0.000 1.145 418 P CA 0.948 64.059 63.100 0.017 0.000 0.795 418 P CB 0.398 32.105 31.700 0.013 0.000 0.775 419 E N -1.048 119.163 120.200 0.017 0.000 2.479 419 E HA 0.182 4.433 4.350 -0.164 0.000 0.193 419 E C 1.874 178.488 176.600 0.023 0.000 1.049 419 E CA 0.061 56.470 56.400 0.015 0.000 0.870 419 E CB -0.081 29.624 29.700 0.009 0.000 0.944 419 E HN 0.149 nan 8.360 nan 0.000 0.492 420 A N 0.918 123.759 122.820 0.035 0.000 1.972 420 A HA -0.159 4.063 4.320 -0.164 0.000 0.219 420 A C 2.052 179.666 177.584 0.051 0.000 1.169 420 A CA 0.940 53.010 52.037 0.054 0.000 0.635 420 A CB -0.388 18.650 19.000 0.064 0.000 0.810 420 A HN 0.202 nan 8.150 nan 0.000 0.446 421 L N -1.099 120.144 121.223 0.035 0.000 2.201 421 L HA -0.122 4.120 4.340 -0.164 0.000 0.212 421 L C 2.712 179.587 176.870 0.009 0.000 1.105 421 L CA 1.463 56.320 54.840 0.027 0.000 0.775 421 L CB -0.576 41.497 42.059 0.023 0.000 0.913 421 L HN 0.325 nan 8.230 nan 0.000 0.440 422 T N -0.130 114.425 114.554 0.002 0.000 2.701 422 T HA -0.154 4.098 4.350 -0.164 0.000 0.263 422 T C 1.853 176.530 174.700 -0.039 0.000 1.040 422 T CA 1.341 63.431 62.100 -0.017 0.000 1.147 422 T CB 0.011 68.871 68.868 -0.015 0.000 0.865 422 T HN 0.335 nan 8.240 nan 0.000 0.426 423 K N 0.759 121.142 120.400 -0.028 0.000 2.097 423 K HA 0.035 4.257 4.320 -0.164 0.000 0.206 423 K C 2.159 178.680 176.600 -0.132 0.000 1.049 423 K CA 1.084 57.326 56.287 -0.074 0.000 0.933 423 K CB -0.342 32.149 32.500 -0.015 0.000 0.717 423 K HN 0.307 nan 8.250 nan 0.000 0.442 424 I N 1.166 121.725 120.570 -0.017 0.000 2.127 424 I HA -0.300 3.772 4.170 -0.164 0.000 0.241 424 I C 2.825 178.905 176.117 -0.062 0.000 1.075 424 I CA 1.246 62.559 61.300 0.021 0.000 1.334 424 I CB -0.252 37.800 38.000 0.087 0.000 1.040 424 I HN 0.169 nan 8.210 nan 0.000 0.405 425 R N 0.854 121.323 120.500 -0.051 0.000 2.096 425 R HA -0.253 3.989 4.340 -0.164 0.000 0.240 425 R C 2.562 178.808 176.300 -0.090 0.000 1.139 425 R CA 1.917 57.982 56.100 -0.058 0.000 0.952 425 R CB -0.308 29.967 30.300 -0.042 0.000 0.854 425 R HN 0.268 nan 8.270 nan 0.000 0.436 426 R N 0.328 120.757 120.500 -0.118 0.000 2.080 426 R HA -0.149 4.093 4.340 -0.164 0.000 0.236 426 R C 1.808 178.000 176.300 -0.180 0.000 1.137 426 R CA 1.777 57.793 56.100 -0.140 0.000 0.943 426 R CB -0.188 30.025 30.300 -0.144 0.000 0.846 426 R HN 0.218 nan 8.270 nan 0.000 0.431 427 E N 0.622 120.657 120.200 -0.275 0.000 2.160 427 E HA -0.184 4.068 4.350 -0.164 0.000 0.195 427 E C 1.950 178.458 176.600 -0.153 0.000 0.991 427 E CA 0.850 57.048 56.400 -0.336 0.000 0.810 427 E CB -0.133 29.080 29.700 -0.813 0.000 0.742 427 E HN 0.249 nan 8.360 nan 0.000 0.466 428 L N 0.827 121.984 121.223 -0.110 0.000 2.102 428 L HA -0.031 4.211 4.340 -0.164 0.000 0.202 428 L C 2.331 179.165 176.870 -0.060 0.000 1.076 428 L CA 1.461 56.270 54.840 -0.052 0.000 0.761 428 L CB -0.375 41.656 42.059 -0.046 0.000 0.921 428 L HN -0.028 nan 8.230 nan 0.000 0.444 429 K N -0.793 119.562 120.400 -0.075 0.000 2.103 429 K HA -0.063 4.159 4.320 -0.164 0.000 0.204 429 K C -0.375 176.181 176.600 -0.073 0.000 1.052 429 K CA 1.055 57.299 56.287 -0.072 0.000 0.945 429 K CB 0.209 32.664 32.500 -0.074 0.000 0.722 429 K HN 0.265 nan 8.250 nan 0.000 0.443 430 D N 1.243 121.590 120.400 -0.088 0.000 2.432 430 D HA 0.164 4.706 4.640 -0.164 0.000 0.265 430 D C -1.024 175.229 176.300 -0.079 0.000 1.160 430 D CA -0.150 53.799 54.000 -0.085 0.000 0.911 430 D CB 1.322 42.054 40.800 -0.114 0.000 1.052 430 D HN 0.220 nan 8.370 nan 0.000 0.508 431 A N 1.448 124.243 122.820 -0.042 0.000 2.587 431 A HA 0.446 4.667 4.320 -0.164 0.000 0.235 431 A C 0.898 178.449 177.584 -0.056 0.000 1.044 431 A CA 0.554 52.577 52.037 -0.023 0.000 0.754 431 A CB 0.418 19.433 19.000 0.025 0.000 0.968 431 A HN 0.525 nan 8.150 nan 0.000 0.509 432 G N -0.782 107.981 108.800 -0.062 0.000 3.108 432 G HA2 0.587 4.449 3.960 -0.164 0.000 0.268 432 G HA3 0.587 4.449 3.960 -0.164 0.000 0.268 432 G C 0.819 175.664 174.900 -0.092 0.000 1.361 432 G CA 0.105 45.130 45.100 -0.125 0.000 1.047 432 G HN 1.374 nan 8.290 nan 0.000 0.540 433 A N -0.923 121.804 122.820 -0.155 0.000 2.121 433 A HA 0.091 4.313 4.320 -0.164 0.000 0.218 433 A C 1.539 179.303 177.584 0.299 0.000 1.154 433 A CA 1.846 53.805 52.037 -0.131 0.000 0.679 433 A CB -0.143 18.825 19.000 -0.053 0.000 0.795 433 A HN 0.398 nan 8.150 nan 0.000 0.458 434 D N -1.167 119.439 120.400 0.344 0.000 2.350 434 D HA 0.032 4.573 4.640 -0.164 0.000 0.213 434 D C 1.798 178.511 176.300 0.688 0.000 1.031 434 D CA 0.177 54.569 54.000 0.654 0.000 0.861 434 D CB -0.161 40.982 40.800 0.572 0.000 0.926 434 D HN 0.495 nan 8.370 nan 0.000 0.520 435 R N 0.839 121.584 120.500 0.408 0.000 2.134 435 R HA -0.227 4.015 4.340 -0.164 0.000 0.248 435 R C 2.083 178.540 176.300 0.263 0.000 1.143 435 R CA 1.313 57.609 56.100 0.328 0.000 0.957 435 R CB -0.520 29.887 30.300 0.178 0.000 0.867 435 R HN 0.111 nan 8.270 nan 0.000 0.441 436 I N 0.224 120.833 120.570 0.064 0.000 2.236 436 I HA -0.315 3.757 4.170 -0.164 0.000 0.249 436 I C 1.560 177.639 176.117 -0.063 0.000 1.102 436 I CA 1.633 62.845 61.300 -0.146 0.000 1.365 436 I CB -0.265 37.360 38.000 -0.626 0.000 1.051 436 I HN 0.347 nan 8.210 nan 0.000 0.420 437 W N -0.878 120.525 121.300 0.170 0.000 2.453 437 W HA -0.130 4.436 4.660 -0.157 0.000 0.289 437 W C 2.523 179.053 176.519 0.018 0.000 1.215 437 W CA 0.791 58.199 57.345 0.104 0.000 1.297 437 W CB -1.165 28.245 29.460 -0.084 0.000 1.113 437 W HN 0.204 nan 8.180 nan 0.000 0.551 438 Y N 0.408 120.876 120.300 0.280 0.000 2.352 438 Y HA -0.149 4.300 4.550 -0.168 0.000 0.292 438 Y C 2.406 178.325 175.900 0.031 0.000 1.136 438 Y CA 0.995 59.178 58.100 0.139 0.000 1.227 438 Y CB -0.600 37.922 38.460 0.103 0.000 0.991 438 Y HN -0.203 nan 8.280 nan 0.000 0.545 439 I N -0.618 120.042 120.570 0.149 0.000 2.179 439 I HA -0.345 3.727 4.170 -0.164 0.000 0.242 439 I C 2.573 178.550 176.117 -0.232 0.000 1.088 439 I CA 1.259 62.518 61.300 -0.067 0.000 1.357 439 I CB -0.521 37.492 38.000 0.022 0.000 1.051 439 I HN 0.180 nan 8.210 nan 0.000 0.409 440 A N 0.100 122.902 122.820 -0.030 0.000 1.972 440 A HA -0.236 3.985 4.320 -0.164 0.000 0.219 440 A C 1.933 179.546 177.584 0.047 0.000 1.169 440 A CA 1.971 54.012 52.037 0.007 0.000 0.635 440 A CB -0.551 18.451 19.000 0.004 0.000 0.810 440 A HN 0.332 nan 8.150 nan 0.000 0.446 441 D N 0.035 120.466 120.400 0.052 0.000 2.117 441 D HA -0.038 4.504 4.640 -0.164 0.000 0.197 441 D C 2.269 178.587 176.300 0.030 0.000 0.987 441 D CA 1.384 55.422 54.000 0.063 0.000 0.829 441 D CB -0.371 40.472 40.800 0.073 0.000 0.961 441 D HN 0.394 nan 8.370 nan 0.000 0.460 442 A N 0.408 123.185 122.820 -0.071 0.000 1.892 442 A HA -0.218 4.003 4.320 -0.164 0.000 0.218 442 A C 2.017 179.554 177.584 -0.079 0.000 1.188 442 A CA 1.331 53.281 52.037 -0.145 0.000 0.631 442 A CB -1.047 17.726 19.000 -0.379 0.000 0.822 442 A HN 0.166 nan 8.150 nan 0.000 0.447 443 F N -0.108 119.869 119.950 0.046 0.000 2.134 443 F HA -0.106 4.324 4.527 -0.162 0.000 0.299 443 F C 2.501 178.318 175.800 0.029 0.000 1.097 443 F CA 1.418 59.433 58.000 0.026 0.000 1.264 443 F CB -0.818 38.181 39.000 -0.002 0.000 1.001 443 F HN 0.136 nan 8.300 nan 0.000 0.479 444 R N 0.074 120.690 120.500 0.193 0.000 2.120 444 R HA -0.051 4.190 4.340 -0.164 0.000 0.234 444 R C 2.081 178.442 176.300 0.102 0.000 1.123 444 R CA 1.148 57.326 56.100 0.130 0.000 0.975 444 R CB -0.668 29.695 30.300 0.104 0.000 0.866 444 R HN 0.254 nan 8.270 nan 0.000 0.446 445 A N -0.002 122.873 122.820 0.093 0.000 2.251 445 A HA 0.265 4.487 4.320 -0.164 0.000 0.209 445 A C 1.327 178.956 177.584 0.075 0.000 1.187 445 A CA 0.638 52.718 52.037 0.073 0.000 0.823 445 A CB 0.065 19.101 19.000 0.060 0.000 0.846 445 A HN 0.432 nan 8.150 nan 0.000 0.486 446 G N -1.207 107.655 108.800 0.102 0.000 2.131 446 G HA2 -0.181 3.680 3.960 -0.164 0.000 0.223 446 G HA3 -0.181 3.680 3.960 -0.164 0.000 0.223 446 G C 0.021 174.988 174.900 0.111 0.000 0.990 446 G CA 0.126 45.286 45.100 0.100 0.000 0.671 446 G HN 0.391 nan 8.290 nan 0.000 0.521 447 L N 1.791 123.089 121.223 0.124 0.000 2.371 447 L HA 0.532 4.774 4.340 -0.164 0.000 0.272 447 L C 1.471 178.468 176.870 0.210 0.000 1.124 447 L CA 0.019 54.927 54.840 0.114 0.000 0.816 447 L CB 1.265 43.349 42.059 0.042 0.000 1.129 447 L HN 0.456 nan 8.230 nan 0.000 0.448 448 S N 1.331 117.137 115.700 0.178 0.000 2.632 448 S HA 0.194 4.566 4.470 -0.164 0.000 0.267 448 S C 1.066 175.858 174.600 0.319 0.000 1.276 448 S CA -0.950 57.378 58.200 0.213 0.000 0.998 448 S CB 1.630 64.906 63.200 0.127 0.000 0.953 448 S HN 0.338 nan 8.310 nan 0.000 0.547 449 V N 1.229 121.323 119.914 0.298 0.000 2.392 449 V HA -0.179 3.843 4.120 -0.164 0.000 0.249 449 V C 2.072 178.331 176.094 0.275 0.000 1.059 449 V CA 2.338 64.844 62.300 0.342 0.000 1.051 449 V CB -0.934 30.969 31.823 0.134 0.000 0.658 449 V HN 0.854 nan 8.190 nan 0.000 0.455 450 D N 0.227 120.737 120.400 0.184 0.000 2.144 450 D HA -0.076 4.466 4.640 -0.164 0.000 0.200 450 D C 2.183 178.617 176.300 0.223 0.000 0.978 450 D CA 1.441 55.548 54.000 0.178 0.000 0.833 450 D CB -0.522 40.335 40.800 0.095 0.000 0.961 450 D HN 0.475 nan 8.370 nan 0.000 0.470 451 G N 0.465 109.368 108.800 0.172 0.000 2.408 451 G HA2 -0.176 3.686 3.960 -0.164 0.000 0.217 451 G HA3 -0.176 3.686 3.960 -0.164 0.000 0.217 451 G C 1.809 176.777 174.900 0.113 0.000 1.150 451 G CA 0.530 45.707 45.100 0.129 0.000 0.776 451 G HN 0.232 nan 8.290 nan 0.000 0.542 452 V N 0.349 120.344 119.914 0.134 0.000 2.453 452 V HA -0.071 3.951 4.120 -0.164 0.000 0.247 452 V C 2.272 178.421 176.094 0.092 0.000 1.048 452 V CA 1.573 63.910 62.300 0.062 0.000 1.049 452 V CB -0.573 31.239 31.823 -0.019 0.000 0.672 452 V HN 0.403 nan 8.190 nan 0.000 0.457 453 F N 2.077 122.066 119.950 0.064 0.000 2.102 453 F HA -0.192 4.237 4.527 -0.162 0.000 0.298 453 F C 2.305 178.130 175.800 0.041 0.000 1.105 453 F CA 1.967 60.000 58.000 0.056 0.000 1.239 453 F CB -0.390 38.652 39.000 0.069 0.000 0.991 453 F HN 0.183 nan 8.300 nan 0.000 0.474 454 N N 0.848 119.614 118.700 0.110 0.000 2.223 454 N HA -0.156 4.486 4.740 -0.164 0.000 0.185 454 N C 1.962 177.415 175.510 -0.095 0.000 1.016 454 N CA 1.617 54.678 53.050 0.018 0.000 0.863 454 N CB -0.462 38.102 38.487 0.128 0.000 0.983 454 N HN 0.390 nan 8.380 nan 0.000 0.429 455 L N 0.072 121.250 121.223 -0.075 0.000 2.068 455 L HA -0.054 4.188 4.340 -0.164 0.000 0.204 455 L C 2.393 179.190 176.870 -0.121 0.000 1.076 455 L CA 1.484 56.277 54.840 -0.078 0.000 0.753 455 L CB -0.598 41.432 42.059 -0.049 0.000 0.910 455 L HN 0.271 nan 8.230 nan 0.000 0.439 456 T N -4.857 109.603 114.554 -0.157 0.000 3.037 456 T HA 0.083 4.335 4.350 -0.164 0.000 0.252 456 T C 0.869 175.420 174.700 -0.249 0.000 1.073 456 T CA 0.598 62.606 62.100 -0.155 0.000 1.091 456 T CB -0.119 68.682 68.868 -0.112 0.000 0.935 456 T HN 0.378 nan 8.240 nan 0.000 0.488 457 N N 0.177 118.579 118.700 -0.496 0.000 2.909 457 N HA -0.119 4.523 4.740 -0.164 0.000 0.242 457 N C -0.795 174.505 175.510 -0.349 0.000 0.975 457 N CA 0.617 53.298 53.050 -0.615 0.000 0.921 457 N CB -1.809 36.503 38.487 -0.291 0.000 1.112 457 N HN 0.548 nan 8.380 nan 0.000 0.581 458 I N 1.329 121.751 120.570 -0.247 0.000 2.471 458 I HA 0.013 4.085 4.170 -0.164 0.000 0.286 458 I C 0.862 177.089 176.117 0.183 0.000 1.079 458 I CA -0.162 61.041 61.300 -0.162 0.000 1.398 458 I CB 0.362 38.117 38.000 -0.408 0.000 1.403 458 I HN 0.137 nan 8.210 nan 0.000 0.530 459 D N 6.416 127.007 120.400 0.318 0.000 2.648 459 D HA -0.098 4.444 4.640 -0.164 0.000 0.229 459 D C 1.234 177.782 176.300 0.413 0.000 1.119 459 D CA 0.515 54.777 54.000 0.436 0.000 0.850 459 D CB 0.792 41.812 40.800 0.367 0.000 1.169 459 D HN 0.493 nan 8.370 nan 0.000 0.489 460 R N 2.906 123.588 120.500 0.304 0.000 2.159 460 R HA -0.197 4.045 4.340 -0.164 0.000 0.237 460 R C 1.953 178.361 176.300 0.181 0.000 1.131 460 R CA 1.171 57.395 56.100 0.207 0.000 0.982 460 R CB -0.167 30.158 30.300 0.042 0.000 0.868 460 R HN 0.656 nan 8.270 nan 0.000 0.453 461 W N 0.792 122.053 121.300 -0.064 0.000 2.325 461 W HA -0.225 4.336 4.660 -0.165 0.000 0.299 461 W C 1.238 177.655 176.519 -0.170 0.000 1.215 461 W CA 1.503 58.733 57.345 -0.191 0.000 1.244 461 W CB -0.199 29.036 29.460 -0.374 0.000 1.140 461 W HN -0.041 nan 8.180 nan 0.000 0.523 462 F N -0.249 119.905 119.950 0.340 0.000 2.149 462 F HA -0.077 4.353 4.527 -0.161 0.000 0.294 462 F C 2.299 178.182 175.800 0.139 0.000 1.095 462 F CA 1.331 59.478 58.000 0.245 0.000 1.276 462 F CB -1.299 37.891 39.000 0.317 0.000 1.023 462 F HN -0.253 nan 8.300 nan 0.000 0.480 463 L N 0.261 121.703 121.223 0.364 0.000 2.042 463 L HA -0.215 4.027 4.340 -0.164 0.000 0.210 463 L C 2.605 179.559 176.870 0.140 0.000 1.076 463 L CA 1.430 56.475 54.840 0.341 0.000 0.749 463 L CB -1.057 41.230 42.059 0.379 0.000 0.893 463 L HN 0.179 nan 8.230 nan 0.000 0.432 464 V N -2.532 117.383 119.914 0.000 0.000 2.332 464 V HA -0.310 3.712 4.120 -0.164 0.000 0.248 464 V C 2.211 178.181 176.094 -0.207 0.000 1.055 464 V CA 1.687 63.890 62.300 -0.162 0.000 1.038 464 V CB -0.959 30.767 31.823 -0.163 0.000 0.651 464 V HN 0.527 nan 8.190 nan 0.000 0.450 465 Q N 0.146 119.844 119.800 -0.171 0.000 2.124 465 Q HA -0.070 4.172 4.340 -0.164 0.000 0.202 465 Q C 2.350 178.278 176.000 -0.118 0.000 0.977 465 Q CA 2.148 57.852 55.803 -0.165 0.000 0.850 465 Q CB -0.340 28.277 28.738 -0.202 0.000 0.901 465 Q HN 0.684 nan 8.270 nan 0.000 0.429 466 I N 0.736 121.271 120.570 -0.060 0.000 2.202 466 I HA -0.250 3.821 4.170 -0.164 0.000 0.242 466 I C 2.544 178.544 176.117 -0.195 0.000 1.091 466 I CA 1.087 62.312 61.300 -0.125 0.000 1.368 466 I CB -0.264 37.760 38.000 0.041 0.000 1.058 466 I HN 0.276 nan 8.210 nan 0.000 0.410 467 E N 1.275 121.228 120.200 -0.411 0.000 2.038 467 E HA -0.327 3.924 4.350 -0.164 0.000 0.195 467 E C 2.114 178.528 176.600 -0.309 0.000 1.000 467 E CA 1.788 57.753 56.400 -0.724 0.000 0.803 467 E CB -0.096 28.851 29.700 -1.255 0.000 0.750 467 E HN 0.434 nan 8.360 nan 0.000 0.448 468 E N 0.281 120.342 120.200 -0.231 0.000 2.086 468 E HA -0.242 4.010 4.350 -0.164 0.000 0.200 468 E C 2.291 178.878 176.600 -0.021 0.000 1.012 468 E CA 1.586 57.919 56.400 -0.112 0.000 0.812 468 E CB -0.179 29.466 29.700 -0.091 0.000 0.743 468 E HN 0.353 nan 8.360 nan 0.000 0.453 469 L N 0.148 121.356 121.223 -0.026 0.000 2.131 469 L HA -0.174 4.068 4.340 -0.164 0.000 0.210 469 L C 2.543 179.514 176.870 0.168 0.000 1.092 469 L CA 0.607 55.513 54.840 0.110 0.000 0.759 469 L CB -0.316 41.711 42.059 -0.053 0.000 0.903 469 L HN 0.111 nan 8.230 nan 0.000 0.435 470 V N -0.354 119.577 119.914 0.028 0.000 2.515 470 V HA -0.181 3.840 4.120 -0.164 0.000 0.250 470 V C 2.697 178.835 176.094 0.073 0.000 1.058 470 V CA 1.386 63.728 62.300 0.070 0.000 1.064 470 V CB -0.513 31.359 31.823 0.081 0.000 0.675 470 V HN 0.410 nan 8.190 nan 0.000 0.461 471 R N -0.352 120.169 120.500 0.035 0.000 2.062 471 R HA -0.005 4.236 4.340 -0.164 0.000 0.229 471 R C 2.236 178.570 176.300 0.057 0.000 1.128 471 R CA 1.181 57.297 56.100 0.028 0.000 0.960 471 R CB -0.794 29.498 30.300 -0.013 0.000 0.855 471 R HN 0.405 nan 8.270 nan 0.000 0.432 472 L N 0.995 122.273 121.223 0.091 0.000 2.046 472 L HA -0.172 4.070 4.340 -0.164 0.000 0.208 472 L C 2.507 179.387 176.870 0.016 0.000 1.077 472 L CA 1.353 56.253 54.840 0.100 0.000 0.747 472 L CB -0.369 41.768 42.059 0.130 0.000 0.896 472 L HN 0.268 nan 8.230 nan 0.000 0.432 473 E N 0.059 120.274 120.200 0.024 0.000 2.033 473 E HA -0.292 3.960 4.350 -0.164 0.000 0.199 473 E C 2.035 178.643 176.600 0.013 0.000 1.011 473 E CA 1.753 58.142 56.400 -0.019 0.000 0.815 473 E CB -0.084 29.695 29.700 0.132 0.000 0.755 473 E HN 0.512 nan 8.360 nan 0.000 0.451 474 E N 0.602 120.830 120.200 0.047 0.000 2.130 474 E HA -0.251 4.001 4.350 -0.164 0.000 0.196 474 E C 2.062 178.686 176.600 0.040 0.000 0.998 474 E CA 1.217 57.643 56.400 0.043 0.000 0.806 474 E CB -0.060 29.666 29.700 0.042 0.000 0.738 474 E HN 0.104 nan 8.360 nan 0.000 0.459 475 K N 0.683 121.117 120.400 0.057 0.000 1.991 475 K HA -0.195 4.027 4.320 -0.164 0.000 0.212 475 K C 2.112 178.776 176.600 0.107 0.000 1.049 475 K CA 1.656 57.984 56.287 0.068 0.000 0.932 475 K CB -0.200 32.362 32.500 0.104 0.000 0.717 475 K HN -0.040 nan 8.250 nan 0.000 0.441 476 V N 1.501 121.501 119.914 0.145 0.000 2.236 476 V HA -0.373 3.649 4.120 -0.164 0.000 0.255 476 V C 2.462 178.586 176.094 0.051 0.000 1.068 476 V CA 2.356 64.712 62.300 0.092 0.000 1.044 476 V CB -1.091 30.678 31.823 -0.089 0.000 0.653 476 V HN 0.597 nan 8.190 nan 0.000 0.448 477 A N -1.083 121.753 122.820 0.026 0.000 2.024 477 A HA -0.296 3.925 4.320 -0.164 0.000 0.220 477 A C 2.304 179.903 177.584 0.026 0.000 1.164 477 A CA 2.180 54.231 52.037 0.023 0.000 0.643 477 A CB -0.499 18.517 19.000 0.025 0.000 0.806 477 A HN 0.731 nan 8.150 nan 0.000 0.451 478 E N -0.154 120.063 120.200 0.029 0.000 2.051 478 E HA -0.100 4.152 4.350 -0.164 0.000 0.189 478 E C 2.019 178.631 176.600 0.020 0.000 0.979 478 E CA 1.401 57.813 56.400 0.019 0.000 0.803 478 E CB -0.132 29.575 29.700 0.011 0.000 0.761 478 E HN 0.517 nan 8.360 nan 0.000 0.451 479 V N -0.775 119.159 119.914 0.033 0.000 2.667 479 V HA 0.163 4.185 4.120 -0.164 0.000 0.252 479 V C 1.075 177.195 176.094 0.043 0.000 1.065 479 V CA 1.290 63.612 62.300 0.037 0.000 1.083 479 V CB -0.949 30.904 31.823 0.051 0.000 0.692 479 V HN 0.457 nan 8.190 nan 0.000 0.468 480 G N 0.010 108.836 108.800 0.044 0.000 2.804 480 G HA2 -0.336 3.526 3.960 -0.164 0.000 0.230 480 G HA3 -0.336 3.526 3.960 -0.164 0.000 0.230 480 G C 0.351 175.276 174.900 0.042 0.000 1.386 480 G CA 0.200 45.320 45.100 0.033 0.000 0.875 480 G HN 1.129 nan 8.290 nan 0.000 0.557 481 I N -0.254 120.332 120.570 0.027 0.000 2.315 481 I HA -0.155 3.916 4.170 -0.164 0.000 0.251 481 I C 2.628 178.775 176.117 0.050 0.000 1.125 481 I CA 2.836 64.153 61.300 0.027 0.000 1.392 481 I CB -0.154 37.852 38.000 0.009 0.000 1.065 481 I HN 0.673 nan 8.210 nan 0.000 0.424 482 T N 0.406 114.988 114.554 0.047 0.000 2.746 482 T HA -0.097 4.154 4.350 -0.164 0.000 0.267 482 T C 1.601 176.347 174.700 0.077 0.000 1.039 482 T CA 1.398 63.531 62.100 0.055 0.000 1.142 482 T CB -0.673 68.217 68.868 0.037 0.000 0.866 482 T HN 0.637 nan 8.240 nan 0.000 0.444 483 G N 0.888 109.739 108.800 0.084 0.000 2.625 483 G HA2 0.019 3.881 3.960 -0.164 0.000 0.214 483 G HA3 0.019 3.881 3.960 -0.164 0.000 0.214 483 G C 0.807 175.835 174.900 0.213 0.000 1.132 483 G CA -0.014 45.151 45.100 0.109 0.000 0.782 483 G HN 0.469 nan 8.290 nan 0.000 0.538 484 L N 2.283 123.618 121.223 0.188 0.000 2.974 484 L HA 0.093 4.335 4.340 -0.164 0.000 0.250 484 L C 0.911 177.930 176.870 0.248 0.000 1.376 484 L CA -0.820 54.143 54.840 0.204 0.000 1.170 484 L CB -1.314 40.809 42.059 0.107 0.000 1.577 484 L HN 0.318 nan 8.230 nan 0.000 0.429 485 N N 0.092 118.906 118.700 0.190 0.000 2.178 485 N HA -0.027 4.615 4.740 -0.164 0.000 0.222 485 N C 1.112 176.512 175.510 -0.182 0.000 1.350 485 N CA 0.536 53.609 53.050 0.039 0.000 0.874 485 N CB 0.537 39.018 38.487 -0.010 0.000 1.086 485 N HN 0.119 nan 8.380 nan 0.000 0.452 486 A N -1.692 120.752 122.820 -0.626 0.000 2.178 486 A HA 0.007 4.229 4.320 -0.164 0.000 0.211 486 A C 1.225 178.645 177.584 -0.273 0.000 1.157 486 A CA 0.487 52.020 52.037 -0.839 0.000 0.780 486 A CB -0.329 17.812 19.000 -1.431 0.000 0.828 486 A HN 0.672 nan 8.150 nan 0.000 0.476 487 D N -1.107 119.215 120.400 -0.131 0.000 2.162 487 D HA -0.032 4.510 4.640 -0.164 0.000 0.203 487 D C 1.450 177.799 176.300 0.083 0.000 0.967 487 D CA 0.766 54.752 54.000 -0.025 0.000 0.840 487 D CB -0.181 40.608 40.800 -0.019 0.000 0.972 487 D HN 0.378 nan 8.370 nan 0.000 0.482 488 F N 1.417 121.316 119.950 -0.084 0.000 2.074 488 F HA -0.051 4.378 4.527 -0.163 0.000 0.290 488 F C 2.108 177.874 175.800 -0.056 0.000 1.118 488 F CA 0.401 58.364 58.000 -0.062 0.000 1.199 488 F CB -0.907 38.057 39.000 -0.059 0.000 1.012 488 F HN -0.158 nan 8.300 nan 0.000 0.472 489 L N 1.207 122.370 121.223 -0.101 0.000 2.103 489 L HA -0.259 3.983 4.340 -0.164 0.000 0.215 489 L C 2.655 179.437 176.870 -0.147 0.000 1.080 489 L CA 2.161 56.899 54.840 -0.169 0.000 0.764 489 L CB -0.829 41.263 42.059 0.055 0.000 0.890 489 L HN 0.253 nan 8.230 nan 0.000 0.435 490 R N -1.256 119.204 120.500 -0.066 0.000 2.115 490 R HA -0.170 4.072 4.340 -0.164 0.000 0.226 490 R C 2.290 178.552 176.300 -0.063 0.000 1.100 490 R CA 1.315 57.384 56.100 -0.052 0.000 0.980 490 R CB -0.217 30.095 30.300 0.020 0.000 0.875 490 R HN 0.625 nan 8.270 nan 0.000 0.445 491 Q N 0.730 120.516 119.800 -0.023 0.000 2.020 491 Q HA -0.165 4.077 4.340 -0.164 0.000 0.202 491 Q C 2.113 178.096 176.000 -0.028 0.000 0.982 491 Q CA 1.579 57.397 55.803 0.025 0.000 0.838 491 Q CB -0.109 28.717 28.738 0.145 0.000 0.899 491 Q HN 0.432 nan 8.270 nan 0.000 0.423 492 L N 0.505 121.624 121.223 -0.174 0.000 2.079 492 L HA -0.221 4.021 4.340 -0.164 0.000 0.210 492 L C 2.524 179.401 176.870 0.011 0.000 1.081 492 L CA 1.060 55.808 54.840 -0.153 0.000 0.752 492 L CB -0.471 41.293 42.059 -0.492 0.000 0.896 492 L HN 0.161 nan 8.230 nan 0.000 0.433 493 K N 0.458 120.727 120.400 -0.219 0.000 2.103 493 K HA -0.082 4.140 4.320 -0.164 0.000 0.204 493 K C 2.076 178.430 176.600 -0.409 0.000 1.052 493 K CA 1.168 57.157 56.287 -0.497 0.000 0.945 493 K CB -0.284 31.550 32.500 -1.111 0.000 0.722 493 K HN 0.244 nan 8.250 nan 0.000 0.443 494 R N 0.635 121.029 120.500 -0.177 0.000 2.280 494 R HA 0.030 4.272 4.340 -0.164 0.000 0.207 494 R C 1.439 177.763 176.300 0.040 0.000 1.043 494 R CA 0.611 56.718 56.100 0.013 0.000 1.006 494 R CB 0.125 30.476 30.300 0.085 0.000 0.885 494 R HN -0.049 nan 8.270 nan 0.000 0.467 495 K N -0.650 119.773 120.400 0.038 0.000 2.404 495 K HA 0.157 4.379 4.320 -0.164 0.000 0.194 495 K C 0.964 177.510 176.600 -0.090 0.000 1.023 495 K CA 0.773 57.080 56.287 0.033 0.000 1.094 495 K CB 1.110 33.706 32.500 0.160 0.000 0.841 495 K HN 0.360 nan 8.250 nan 0.000 0.523 496 G N 1.369 110.137 108.800 -0.053 0.000 2.175 496 G HA2 -0.249 3.613 3.960 -0.164 0.000 0.244 496 G HA3 -0.249 3.613 3.960 -0.164 0.000 0.244 496 G C 0.049 174.884 174.900 -0.108 0.000 0.982 496 G CA -0.430 44.627 45.100 -0.072 0.000 0.641 496 G HN 0.193 nan 8.290 nan 0.000 0.527 497 F N 1.770 121.689 119.950 -0.053 0.000 2.607 497 F HA 0.452 4.881 4.527 -0.164 0.000 0.374 497 F C 1.141 176.906 175.800 -0.059 0.000 1.104 497 F CA 0.721 58.691 58.000 -0.050 0.000 1.296 497 F CB 0.707 39.657 39.000 -0.084 0.000 1.085 497 F HN 0.364 nan 8.300 nan 0.000 0.584 498 A N 2.794 125.720 122.820 0.177 0.000 2.295 498 A HA 0.321 4.543 4.320 -0.164 0.000 0.318 498 A C 0.912 178.547 177.584 0.086 0.000 1.134 498 A CA -0.779 51.319 52.037 0.101 0.000 0.827 498 A CB 0.474 19.522 19.000 0.080 0.000 1.136 498 A HN 0.746 nan 8.150 nan 0.000 0.493 499 D N 1.517 121.946 120.400 0.049 0.000 2.133 499 D HA -0.187 4.355 4.640 -0.164 0.000 0.195 499 D C 2.098 178.413 176.300 0.025 0.000 0.997 499 D CA 2.177 56.191 54.000 0.023 0.000 0.840 499 D CB -0.302 40.510 40.800 0.021 0.000 0.947 499 D HN 0.643 nan 8.370 nan 0.000 0.452 500 A N 0.448 123.291 122.820 0.038 0.000 1.930 500 A HA -0.165 4.056 4.320 -0.164 0.000 0.217 500 A C 2.168 179.782 177.584 0.050 0.000 1.175 500 A CA 1.635 53.693 52.037 0.035 0.000 0.627 500 A CB -0.331 18.689 19.000 0.033 0.000 0.815 500 A HN 0.060 nan 8.150 nan 0.000 0.443 501 R N 0.149 120.700 120.500 0.085 0.000 2.061 501 R HA 0.001 4.242 4.340 -0.164 0.000 0.230 501 R C 1.962 178.311 176.300 0.082 0.000 1.140 501 R CA 1.747 57.923 56.100 0.127 0.000 0.940 501 R CB -0.916 29.531 30.300 0.246 0.000 0.839 501 R HN 0.485 nan 8.270 nan 0.000 0.429 502 L N 0.049 121.298 121.223 0.043 0.000 2.013 502 L HA -0.211 4.031 4.340 -0.164 0.000 0.212 502 L C 2.522 179.374 176.870 -0.031 0.000 1.073 502 L CA 1.659 56.467 54.840 -0.052 0.000 0.753 502 L CB -0.815 41.182 42.059 -0.102 0.000 0.890 502 L HN 0.369 nan 8.230 nan 0.000 0.432 503 A N -0.036 122.777 122.820 -0.011 0.000 1.940 503 A HA -0.232 3.990 4.320 -0.164 0.000 0.219 503 A C 2.327 179.913 177.584 0.002 0.000 1.176 503 A CA 1.830 53.863 52.037 -0.007 0.000 0.631 503 A CB -0.370 18.629 19.000 -0.003 0.000 0.814 503 A HN 0.382 nan 8.150 nan 0.000 0.446 504 K N -0.521 119.888 120.400 0.015 0.000 2.057 504 K HA 0.022 4.243 4.320 -0.164 0.000 0.206 504 K C 1.842 178.452 176.600 0.017 0.000 1.050 504 K CA 1.204 57.502 56.287 0.019 0.000 0.935 504 K CB -0.350 32.169 32.500 0.032 0.000 0.715 504 K HN 0.465 nan 8.250 nan 0.000 0.439 505 L N 0.438 121.670 121.223 0.015 0.000 2.046 505 L HA -0.162 4.080 4.340 -0.164 0.000 0.208 505 L C 2.295 179.165 176.870 -0.000 0.000 1.077 505 L CA 1.211 56.055 54.840 0.007 0.000 0.747 505 L CB -0.366 41.682 42.059 -0.018 0.000 0.896 505 L HN 0.183 nan 8.230 nan 0.000 0.432 506 A N -0.641 122.173 122.820 -0.009 0.000 2.275 506 A HA 0.320 4.542 4.320 -0.164 0.000 0.212 506 A C 1.563 179.148 177.584 0.001 0.000 1.201 506 A CA 0.545 52.579 52.037 -0.005 0.000 0.843 506 A CB -0.376 18.616 19.000 -0.014 0.000 0.873 506 A HN 0.483 nan 8.150 nan 0.000 0.492 507 G N -0.417 108.385 108.800 0.003 0.000 2.295 507 G HA2 -0.075 3.787 3.960 -0.164 0.000 0.287 507 G HA3 -0.075 3.787 3.960 -0.164 0.000 0.287 507 G C 0.263 175.164 174.900 0.001 0.000 1.055 507 G CA 0.867 45.969 45.100 0.004 0.000 0.922 507 G HN 1.761 nan 8.290 nan 0.000 0.503 508 V N -4.516 115.397 119.914 -0.002 0.000 3.145 508 V HA 0.929 4.951 4.120 -0.164 0.000 0.311 508 V C 0.434 176.525 176.094 -0.005 0.000 1.238 508 V CA -2.006 60.291 62.300 -0.006 0.000 1.066 508 V CB 1.403 33.220 31.823 -0.011 0.000 1.144 508 V HN 0.291 nan 8.190 nan 0.000 0.465 509 R N 0.372 120.868 120.500 -0.008 0.000 2.410 509 R HA 0.334 4.576 4.340 -0.164 0.000 0.288 509 R C 1.375 177.670 176.300 -0.008 0.000 1.051 509 R CA 0.259 56.355 56.100 -0.006 0.000 1.021 509 R CB 0.932 31.228 30.300 -0.007 0.000 1.032 509 R HN 0.980 nan 8.270 nan 0.000 0.481 510 E N 2.612 122.810 120.200 -0.003 0.000 2.147 510 E HA -0.314 3.938 4.350 -0.164 0.000 0.199 510 E C 1.369 177.965 176.600 -0.006 0.000 1.005 510 E CA 1.803 58.202 56.400 -0.001 0.000 0.810 510 E CB 0.049 29.752 29.700 0.006 0.000 0.736 510 E HN 0.731 nan 8.360 nan 0.000 0.460 511 A N 0.991 123.806 122.820 -0.007 0.000 1.908 511 A HA -0.269 3.952 4.320 -0.164 0.000 0.218 511 A C 1.947 179.518 177.584 -0.021 0.000 1.181 511 A CA 1.855 53.886 52.037 -0.010 0.000 0.627 511 A CB -0.622 18.373 19.000 -0.008 0.000 0.818 511 A HN 0.403 nan 8.150 nan 0.000 0.445 512 E N -0.420 119.765 120.200 -0.025 0.000 2.070 512 E HA -0.202 4.050 4.350 -0.164 0.000 0.197 512 E C 1.918 178.484 176.600 -0.057 0.000 1.004 512 E CA 1.445 57.823 56.400 -0.038 0.000 0.805 512 E CB -0.249 29.433 29.700 -0.031 0.000 0.744 512 E HN 0.577 nan 8.360 nan 0.000 0.451 513 I N 0.688 121.230 120.570 -0.047 0.000 2.226 513 I HA -0.239 3.833 4.170 -0.164 0.000 0.245 513 I C 2.478 178.555 176.117 -0.066 0.000 1.100 513 I CA 1.281 62.545 61.300 -0.060 0.000 1.374 513 I CB -1.001 36.974 38.000 -0.043 0.000 1.057 513 I HN 0.115 nan 8.210 nan 0.000 0.413 514 R N 1.323 121.799 120.500 -0.039 0.000 2.094 514 R HA -0.221 4.021 4.340 -0.164 0.000 0.239 514 R C 2.361 178.629 176.300 -0.054 0.000 1.137 514 R CA 1.880 57.962 56.100 -0.029 0.000 0.943 514 R CB -0.064 30.236 30.300 0.000 0.000 0.850 514 R HN 0.249 nan 8.270 nan 0.000 0.433 515 K N 0.092 120.456 120.400 -0.060 0.000 2.020 515 K HA -0.210 4.012 4.320 -0.164 0.000 0.212 515 K C 2.021 178.528 176.600 -0.155 0.000 1.050 515 K CA 1.667 57.909 56.287 -0.076 0.000 0.929 515 K CB -0.438 32.021 32.500 -0.069 0.000 0.714 515 K HN 0.071 nan 8.250 nan 0.000 0.443 516 L N 1.888 122.983 121.223 -0.214 0.000 2.010 516 L HA -0.278 3.964 4.340 -0.164 0.000 0.219 516 L C 2.076 178.615 176.870 -0.552 0.000 1.077 516 L CA 1.809 56.396 54.840 -0.422 0.000 0.773 516 L CB -0.536 41.324 42.059 -0.333 0.000 0.892 516 L HN 0.141 nan 8.230 nan 0.000 0.436 517 R N -0.695 119.634 120.500 -0.284 0.000 2.083 517 R HA -0.175 4.066 4.340 -0.164 0.000 0.237 517 R C 2.070 178.247 176.300 -0.205 0.000 1.137 517 R CA 1.570 57.557 56.100 -0.189 0.000 0.951 517 R CB -0.667 29.542 30.300 -0.152 0.000 0.851 517 R HN 0.507 nan 8.270 nan 0.000 0.434 518 D N 0.540 120.846 120.400 -0.157 0.000 2.133 518 D HA -0.230 4.312 4.640 -0.164 0.000 0.192 518 D C 1.921 178.235 176.300 0.024 0.000 1.001 518 D CA 1.258 55.258 54.000 0.000 0.000 0.844 518 D CB -0.130 40.703 40.800 0.056 0.000 0.944 518 D HN 0.296 nan 8.370 nan 0.000 0.447 519 Q N -0.453 119.293 119.800 -0.090 0.000 1.998 519 Q HA -0.211 4.031 4.340 -0.164 0.000 0.209 519 Q C 2.088 178.133 176.000 0.074 0.000 1.002 519 Q CA 1.433 57.187 55.803 -0.081 0.000 0.858 519 Q CB -0.205 28.364 28.738 -0.282 0.000 0.932 519 Q HN 0.395 nan 8.270 nan 0.000 0.416 520 Y N 0.483 120.787 120.300 0.008 0.000 2.651 520 Y HA -0.102 4.350 4.550 -0.164 0.000 0.296 520 Y C 0.630 176.548 175.900 0.030 0.000 1.150 520 Y CA 1.150 59.258 58.100 0.013 0.000 1.348 520 Y CB -0.673 37.783 38.460 -0.006 0.000 0.983 520 Y HN 0.397 nan 8.280 nan 0.000 0.555 521 D N -1.117 119.396 120.400 0.189 0.000 2.800 521 D HA -0.195 4.347 4.640 -0.164 0.000 0.232 521 D C -0.799 175.606 176.300 0.174 0.000 1.137 521 D CA 0.146 54.281 54.000 0.225 0.000 0.718 521 D CB -1.258 39.672 40.800 0.216 0.000 1.084 521 D HN 0.092 nan 8.370 nan 0.000 0.432 522 L N 2.408 123.606 121.223 -0.041 0.000 2.302 522 L HA 0.425 4.667 4.340 -0.164 0.000 0.285 522 L C -0.785 175.941 176.870 -0.240 0.000 1.090 522 L CA -0.062 54.777 54.840 -0.002 0.000 0.866 522 L CB 0.284 42.414 42.059 0.118 0.000 1.244 522 L HN 0.174 nan 8.230 nan 0.000 0.435 523 H N 4.468 123.616 119.070 0.129 0.000 2.851 523 H HA 0.543 5.001 4.556 -0.164 0.000 0.372 523 H C -2.478 172.595 175.328 -0.425 0.000 1.158 523 H CA -1.608 54.423 56.048 -0.027 0.000 1.159 523 H CB 1.895 31.647 29.762 -0.015 0.000 1.757 523 H HN 0.348 nan 8.280 nan 0.000 0.546 524 P HA 0.094 nan 4.420 nan 0.000 0.274 524 P C -0.246 176.695 177.300 -0.599 0.000 1.260 524 P CA -0.372 62.089 63.100 -1.064 0.000 0.793 524 P CB 0.932 32.115 31.700 -0.861 0.000 1.048 525 V N -2.689 116.864 119.914 -0.601 0.000 3.113 525 V HA 0.580 4.601 4.120 -0.164 0.000 0.316 525 V C -1.090 174.653 176.094 -0.585 0.000 1.125 525 V CA -0.990 61.078 62.300 -0.386 0.000 1.026 525 V CB 1.362 33.071 31.823 -0.189 0.000 1.080 525 V HN 0.340 nan 8.190 nan 0.000 0.444 526 Y N 0.714 120.948 120.300 -0.109 0.000 2.350 526 Y HA 0.704 5.156 4.550 -0.164 0.000 0.338 526 Y C 0.304 176.052 175.900 -0.254 0.000 0.961 526 Y CA -0.797 57.209 58.100 -0.156 0.000 1.100 526 Y CB 1.894 40.356 38.460 0.003 0.000 1.179 526 Y HN 0.484 nan 8.280 nan 0.000 0.454 527 K N 3.078 123.222 120.400 -0.427 0.000 2.168 527 K HA 0.605 4.827 4.320 -0.164 0.000 0.239 527 K C -0.327 176.032 176.600 -0.402 0.000 0.999 527 K CA -0.894 55.120 56.287 -0.455 0.000 0.900 527 K CB 1.653 33.807 32.500 -0.576 0.000 1.111 527 K HN 0.716 nan 8.250 nan 0.000 0.452 528 R N 0.035 120.454 120.500 -0.134 0.000 2.832 528 R HA 0.482 4.724 4.340 -0.164 0.000 0.271 528 R C -0.536 175.815 176.300 0.085 0.000 0.996 528 R CA -1.078 55.008 56.100 -0.023 0.000 0.977 528 R CB 1.562 31.864 30.300 0.004 0.000 1.168 528 R HN 0.189 nan 8.270 nan 0.000 0.482 529 V N 2.087 121.991 119.914 -0.016 0.000 2.498 529 V HA 0.073 4.095 4.120 -0.164 0.000 0.279 529 V C 0.075 176.208 176.094 0.065 0.000 1.048 529 V CA 0.263 62.532 62.300 -0.051 0.000 0.967 529 V CB 1.284 32.712 31.823 -0.658 0.000 0.988 529 V HN 0.982 nan 8.190 nan 0.000 0.473 530 D N 0.467 120.955 120.400 0.146 0.000 2.460 530 D HA 0.044 4.586 4.640 -0.164 0.000 0.263 530 D C 0.925 177.336 176.300 0.185 0.000 1.209 530 D CA 0.773 54.854 54.000 0.134 0.000 0.818 530 D CB 0.130 41.009 40.800 0.132 0.000 1.239 530 D HN 0.772 nan 8.370 nan 0.000 0.530 531 T N -1.909 112.783 114.554 0.229 0.000 6.974 531 T HA -0.349 3.903 4.350 -0.164 0.000 0.287 531 T C 1.017 175.924 174.700 0.346 0.000 2.146 531 T CA 1.397 63.683 62.100 0.310 0.000 3.451 531 T CB -2.895 66.249 68.868 0.460 0.000 1.630 531 T HN 0.976 nan 8.240 nan 0.000 1.173 532 C N 0.043 119.504 119.300 0.268 0.000 3.359 532 C HA 0.882 5.244 4.460 -0.164 0.000 0.258 532 C C 1.696 176.792 174.990 0.177 0.000 1.840 532 C CA -0.174 59.019 59.018 0.292 0.000 1.746 532 C CB -0.406 27.582 27.740 0.412 0.000 3.306 532 C HN 2.231 nan 8.230 nan 0.000 0.485 533 A N 0.276 123.165 122.820 0.115 0.000 2.783 533 A HA 0.243 4.465 4.320 -0.164 0.000 0.292 533 A C 1.611 179.225 177.584 0.049 0.000 1.495 533 A CA 1.735 53.807 52.037 0.059 0.000 0.787 533 A CB -1.847 17.160 19.000 0.013 0.000 1.017 533 A HN 2.855 nan 8.150 nan 0.000 0.516 534 A N -2.376 120.487 122.820 0.071 0.000 3.201 534 A HA -0.295 3.927 4.320 -0.164 0.000 0.260 534 A C 1.120 178.667 177.584 -0.063 0.000 1.222 534 A CA 2.140 54.195 52.037 0.029 0.000 1.124 534 A CB -2.283 16.731 19.000 0.024 0.000 1.155 534 A HN 1.921 nan 8.150 nan 0.000 0.924 535 E N -1.612 118.510 120.200 -0.130 0.000 2.338 535 E HA 0.139 4.391 4.350 -0.164 0.000 0.197 535 E C 0.155 176.235 176.600 -0.866 0.000 1.007 535 E CA 0.956 57.063 56.400 -0.488 0.000 0.849 535 E CB -0.015 29.330 29.700 -0.592 0.000 0.774 535 E HN 0.759 nan 8.360 nan 0.000 0.506 536 F N -1.006 118.935 119.950 -0.014 0.000 2.643 536 F HA 0.574 5.003 4.527 -0.164 0.000 0.314 536 F C -0.096 175.692 175.800 -0.020 0.000 1.096 536 F CA -1.078 56.905 58.000 -0.028 0.000 0.953 536 F CB 1.286 40.251 39.000 -0.059 0.000 1.345 536 F HN -0.228 nan 8.300 nan 0.000 0.468 537 A N 0.543 123.474 122.820 0.186 0.000 2.293 537 A HA 0.719 4.941 4.320 -0.164 0.000 0.302 537 A C -0.376 177.250 177.584 0.070 0.000 1.119 537 A CA -0.383 51.711 52.037 0.095 0.000 0.823 537 A CB 1.173 20.206 19.000 0.055 0.000 1.097 537 A HN 0.710 nan 8.150 nan 0.000 0.491 538 T N -0.967 113.611 114.554 0.040 0.000 2.924 538 T HA 0.491 4.743 4.350 -0.164 0.000 0.291 538 T C -0.458 174.240 174.700 -0.002 0.000 1.045 538 T CA -0.477 61.629 62.100 0.010 0.000 1.015 538 T CB 1.147 70.023 68.868 0.013 0.000 1.103 538 T HN 0.529 nan 8.240 nan 0.000 0.496 539 D N 1.164 121.552 120.400 -0.020 0.000 2.474 539 D HA 0.193 4.735 4.640 -0.164 0.000 0.213 539 D C 0.439 176.725 176.300 -0.023 0.000 1.120 539 D CA 0.228 54.218 54.000 -0.018 0.000 0.836 539 D CB 0.673 41.461 40.800 -0.019 0.000 1.019 539 D HN 0.444 nan 8.370 nan 0.000 0.507 540 T N 0.471 115.001 114.554 -0.040 0.000 2.868 540 T HA 0.463 4.715 4.350 -0.164 0.000 0.292 540 T C 0.432 175.128 174.700 -0.005 0.000 1.028 540 T CA -0.226 61.848 62.100 -0.043 0.000 1.059 540 T CB 1.596 70.386 68.868 -0.129 0.000 0.991 540 T HN -0.032 nan 8.240 nan 0.000 0.531 541 A N 2.641 125.467 122.820 0.010 0.000 3.218 541 A HA 0.354 4.576 4.320 -0.164 0.000 0.321 541 A C -0.770 176.827 177.584 0.022 0.000 1.012 541 A CA -0.445 51.584 52.037 -0.014 0.000 0.948 541 A CB -0.177 18.792 19.000 -0.051 0.000 1.050 541 A HN 0.697 nan 8.150 nan 0.000 0.492 542 Y N 2.309 122.576 120.300 -0.055 0.000 2.504 542 Y HA 0.675 5.126 4.550 -0.164 0.000 0.339 542 Y C -0.289 175.615 175.900 0.006 0.000 0.974 542 Y CA -1.489 56.618 58.100 0.012 0.000 1.232 542 Y CB 0.146 38.658 38.460 0.086 0.000 1.108 542 Y HN 0.523 nan 8.280 nan 0.000 0.509 543 M N 6.124 125.853 119.600 0.215 0.000 2.821 543 M HA 0.552 4.934 4.480 -0.164 0.000 0.304 543 M C -1.472 175.015 176.300 0.311 0.000 1.233 543 M CA -1.141 54.207 55.300 0.080 0.000 0.851 543 M CB 2.795 35.285 32.600 -0.182 0.000 1.723 543 M HN 0.483 nan 8.290 nan 0.000 0.493 544 Y N -1.907 118.510 120.300 0.195 0.000 2.581 544 Y HA 0.749 5.201 4.550 -0.164 0.000 0.337 544 Y C -0.836 175.198 175.900 0.223 0.000 1.108 544 Y CA -1.354 56.886 58.100 0.234 0.000 1.033 544 Y CB 0.760 39.236 38.460 0.026 0.000 1.318 544 Y HN 0.717 nan 8.280 nan 0.000 0.459 545 S N 1.098 116.950 115.700 0.254 0.000 2.616 545 S HA 0.842 5.214 4.470 -0.164 0.000 0.277 545 S C -0.445 174.154 174.600 -0.002 0.000 1.234 545 S CA -0.045 58.046 58.200 -0.182 0.000 1.028 545 S CB 1.863 64.899 63.200 -0.273 0.000 0.988 545 S HN 1.121 nan 8.310 nan 0.000 0.522 546 T N 0.249 114.705 114.554 -0.163 0.000 2.786 546 T HA 0.421 4.673 4.350 -0.164 0.000 0.316 546 T C -2.090 172.552 174.700 -0.097 0.000 1.503 546 T CA -0.585 61.537 62.100 0.037 0.000 1.019 546 T CB 0.717 69.659 68.868 0.123 0.000 1.415 546 T HN 0.610 nan 8.240 nan 0.000 0.496 547 Y N 1.788 122.089 120.300 0.002 0.000 2.849 547 Y HA 0.459 4.910 4.550 -0.164 0.000 0.356 547 Y C 0.888 176.797 175.900 0.014 0.000 1.236 547 Y CA -0.446 57.654 58.100 0.001 0.000 1.508 547 Y CB 0.566 39.037 38.460 0.018 0.000 1.619 547 Y HN 0.581 nan 8.280 nan 0.000 0.513 548 E N -0.228 119.990 120.200 0.029 0.000 3.078 548 E HA 0.226 4.478 4.350 -0.164 0.000 0.233 548 E C 0.734 177.343 176.600 0.014 0.000 0.746 548 E CA -0.290 56.133 56.400 0.038 0.000 1.490 548 E CB 0.827 30.551 29.700 0.039 0.000 1.807 548 E HN 0.227 nan 8.360 nan 0.000 0.463 549 E N 0.424 120.631 120.200 0.013 0.000 2.121 549 E HA 0.034 4.286 4.350 -0.164 0.000 0.194 549 E C -0.170 176.431 176.600 0.001 0.000 0.940 549 E CA 0.276 56.684 56.400 0.012 0.000 0.884 549 E CB -0.033 29.680 29.700 0.021 0.000 0.874 549 E HN 0.371 nan 8.360 nan 0.000 0.471 550 E N 1.064 121.264 120.200 0.000 0.000 2.259 550 E HA 0.128 4.379 4.350 -0.164 0.000 0.281 550 E C -0.935 175.659 176.600 -0.011 0.000 1.037 550 E CA -0.201 56.199 56.400 -0.001 0.000 0.854 550 E CB 0.949 30.652 29.700 0.005 0.000 1.051 550 E HN 0.062 nan 8.360 nan 0.000 0.409 551 C N 4.706 124.007 119.300 0.002 0.000 2.350 551 C HA 0.304 4.666 4.460 -0.164 0.000 0.348 551 C C 0.687 175.693 174.990 0.027 0.000 1.260 551 C CA -0.270 58.758 59.018 0.017 0.000 1.966 551 C CB 0.052 27.823 27.740 0.052 0.000 2.380 551 C HN 0.948 nan 8.230 nan 0.000 0.535 552 E N 3.034 123.253 120.200 0.031 0.000 2.526 552 E HA 0.121 4.373 4.350 -0.164 0.000 0.208 552 E C 1.685 178.305 176.600 0.033 0.000 0.997 552 E CA 0.398 56.810 56.400 0.020 0.000 0.961 552 E CB 0.406 30.102 29.700 -0.007 0.000 1.030 552 E HN 0.823 nan 8.360 nan 0.000 0.483 553 A N 2.521 125.390 122.820 0.082 0.000 1.849 553 A HA -0.251 3.971 4.320 -0.164 0.000 0.217 553 A C 0.804 178.402 177.584 0.024 0.000 1.202 553 A CA 1.353 53.423 52.037 0.055 0.000 0.629 553 A CB -0.478 18.575 19.000 0.088 0.000 0.834 553 A HN 0.350 nan 8.150 nan 0.000 0.447 554 N N -0.926 117.794 118.700 0.033 0.000 2.671 554 N HA -0.101 4.541 4.740 -0.164 0.000 0.261 554 N C -2.556 172.964 175.510 0.016 0.000 1.053 554 N CA 1.093 54.155 53.050 0.020 0.000 0.732 554 N CB -2.006 36.489 38.487 0.013 0.000 0.887 554 N HN 0.462 nan 8.380 nan 0.000 0.546 555 P HA 0.063 nan 4.420 nan 0.000 0.269 555 P C 0.258 177.567 177.300 0.015 0.000 1.217 555 P CA -0.051 63.062 63.100 0.021 0.000 0.783 555 P CB 0.521 32.231 31.700 0.016 0.000 0.898 556 S N -0.454 115.256 115.700 0.016 0.000 2.525 556 S HA 0.300 4.672 4.470 -0.164 0.000 0.278 556 S C 1.000 175.606 174.600 0.011 0.000 1.234 556 S CA 0.081 58.289 58.200 0.013 0.000 1.058 556 S CB 0.411 63.620 63.200 0.014 0.000 0.983 556 S HN 0.556 nan 8.310 nan 0.000 0.495 557 T N 0.064 114.622 114.554 0.007 0.000 3.037 557 T HA 0.071 4.323 4.350 -0.164 0.000 0.252 557 T C 1.145 175.847 174.700 0.003 0.000 1.073 557 T CA 0.636 62.739 62.100 0.004 0.000 1.091 557 T CB -0.530 68.340 68.868 0.002 0.000 0.935 557 T HN 0.636 nan 8.240 nan 0.000 0.488 558 D N 2.139 122.541 120.400 0.002 0.000 2.127 558 D HA -0.105 4.436 4.640 -0.164 0.000 0.190 558 D C 1.061 177.359 176.300 -0.004 0.000 1.000 558 D CA 1.302 55.301 54.000 -0.001 0.000 0.839 558 D CB 0.185 40.985 40.800 0.001 0.000 0.955 558 D HN 0.452 nan 8.370 nan 0.000 0.446 559 R N -0.298 120.203 120.500 0.002 0.000 2.902 559 R HA 0.429 4.671 4.340 -0.164 0.000 0.258 559 R C -0.406 175.907 176.300 0.021 0.000 1.071 559 R CA -0.797 55.303 56.100 0.000 0.000 1.024 559 R CB 0.965 31.267 30.300 0.004 0.000 1.184 559 R HN 0.040 nan 8.270 nan 0.000 0.492 560 E N 2.027 122.240 120.200 0.020 0.000 2.217 560 E HA 0.081 4.333 4.350 -0.164 0.000 0.279 560 E C -0.816 175.890 176.600 0.176 0.000 1.068 560 E CA 0.194 56.646 56.400 0.087 0.000 0.882 560 E CB 0.931 30.660 29.700 0.049 0.000 1.039 560 E HN 0.150 nan 8.360 nan 0.000 0.418 561 K N 3.418 123.902 120.400 0.141 0.000 2.221 561 K HA 0.494 4.716 4.320 -0.164 0.000 0.258 561 K C -0.412 176.231 176.600 0.071 0.000 0.944 561 K CA -0.594 55.760 56.287 0.112 0.000 0.823 561 K CB 1.740 34.275 32.500 0.058 0.000 1.113 561 K HN 0.320 nan 8.250 nan 0.000 0.431 562 I N 3.477 124.066 120.570 0.032 0.000 2.418 562 I HA 0.298 4.370 4.170 -0.164 0.000 0.287 562 I C -0.529 175.557 176.117 -0.051 0.000 1.008 562 I CA -0.580 60.677 61.300 -0.071 0.000 1.104 562 I CB 1.647 39.514 38.000 -0.222 0.000 1.264 562 I HN 0.611 nan 8.210 nan 0.000 0.438 563 M N 6.121 125.683 119.600 -0.063 0.000 2.157 563 M HA 0.396 4.778 4.480 -0.164 0.000 0.354 563 M C -0.944 175.313 176.300 -0.072 0.000 1.170 563 M CA -0.622 54.647 55.300 -0.052 0.000 1.060 563 M CB 1.583 34.148 32.600 -0.059 0.000 1.615 563 M HN 0.259 nan 8.290 nan 0.000 0.460 564 V N 6.472 126.357 119.914 -0.048 0.000 2.347 564 V HA 0.387 4.409 4.120 -0.164 0.000 0.280 564 V C -0.149 175.933 176.094 -0.020 0.000 1.021 564 V CA -0.688 61.584 62.300 -0.047 0.000 0.847 564 V CB 1.190 33.000 31.823 -0.023 0.000 0.990 564 V HN 0.731 nan 8.190 nan 0.000 0.444 565 L N 4.673 125.884 121.223 -0.020 0.000 2.289 565 L HA 0.658 4.900 4.340 -0.164 0.000 0.285 565 L C 1.046 177.922 176.870 0.011 0.000 1.049 565 L CA -0.134 54.699 54.840 -0.012 0.000 0.804 565 L CB 1.172 43.218 42.059 -0.021 0.000 1.195 565 L HN 0.740 nan 8.230 nan 0.000 0.428 566 G N 1.205 110.003 108.800 -0.003 0.000 2.543 566 G HA2 0.399 4.261 3.960 -0.164 0.000 0.290 566 G HA3 0.399 4.261 3.960 -0.164 0.000 0.290 566 G C 0.763 175.656 174.900 -0.011 0.000 1.310 566 G CA 0.038 45.140 45.100 0.004 0.000 1.025 566 G HN 0.764 nan 8.290 nan 0.000 0.502 567 G N -1.950 106.844 108.800 -0.010 0.000 3.020 567 G HA2 0.501 4.363 3.960 -0.164 0.000 0.217 567 G HA3 0.501 4.363 3.960 -0.164 0.000 0.217 567 G C 0.983 175.854 174.900 -0.048 0.000 1.144 567 G CA 0.886 45.962 45.100 -0.040 0.000 0.760 567 G HN 1.897 nan 8.290 nan 0.000 0.548 568 G N 0.618 109.385 108.800 -0.055 0.000 2.527 568 G HA2 -0.140 3.722 3.960 -0.164 0.000 0.227 568 G HA3 -0.140 3.722 3.960 -0.164 0.000 0.227 568 G C -2.548 172.322 174.900 -0.050 0.000 1.291 568 G CA -0.301 44.760 45.100 -0.065 0.000 0.904 568 G HN 0.371 nan 8.290 nan 0.000 0.577 569 P HA 0.209 nan 4.420 nan 0.000 0.269 569 P C -0.113 177.171 177.300 -0.028 0.000 1.209 569 P CA 0.049 63.129 63.100 -0.033 0.000 0.776 569 P CB 0.151 31.833 31.700 -0.030 0.000 0.876 570 N N 1.981 120.666 118.700 -0.025 0.000 2.503 570 N HA 0.449 5.091 4.740 -0.164 0.000 0.267 570 N C -0.036 175.459 175.510 -0.026 0.000 1.214 570 N CA -0.358 52.687 53.050 -0.010 0.000 0.959 570 N CB 0.426 38.917 38.487 0.006 0.000 1.142 570 N HN 0.338 nan 8.380 nan 0.000 0.455 571 R N 0.180 120.673 120.500 -0.011 0.000 2.752 571 R HA 0.452 4.693 4.340 -0.164 0.000 0.271 571 R C -1.033 175.269 176.300 0.002 0.000 1.026 571 R CA -0.804 55.287 56.100 -0.015 0.000 0.901 571 R CB 0.590 30.877 30.300 -0.022 0.000 1.243 571 R HN 0.408 nan 8.270 nan 0.000 0.463 572 I N 1.752 122.324 120.570 0.003 0.000 2.683 572 I HA 0.176 4.248 4.170 -0.164 0.000 0.286 572 I C 1.193 177.300 176.117 -0.016 0.000 1.175 572 I CA 1.757 63.058 61.300 0.001 0.000 1.429 572 I CB 0.506 38.508 38.000 0.004 0.000 1.371 572 I HN 0.963 nan 8.210 nan 0.000 0.569 573 G N 4.680 113.489 108.800 0.014 0.000 2.217 573 G HA2 -0.213 3.649 3.960 -0.164 0.000 0.246 573 G HA3 -0.213 3.649 3.960 -0.164 0.000 0.246 573 G C 0.301 175.283 174.900 0.137 0.000 0.990 573 G CA -0.329 44.798 45.100 0.045 0.000 0.627 573 G HN 0.551 nan 8.290 nan 0.000 0.522 574 Q N 0.789 120.656 119.800 0.111 0.000 3.048 574 Q HA 0.504 4.746 4.340 -0.164 0.000 0.337 574 Q C 0.729 176.863 176.000 0.223 0.000 0.845 574 Q CA 0.307 56.171 55.803 0.102 0.000 0.942 574 Q CB 0.787 29.464 28.738 -0.102 0.000 1.454 574 Q HN 0.572 nan 8.270 nan 0.000 0.392 575 G N 0.157 109.156 108.800 0.331 0.000 2.543 575 G HA2 0.310 4.172 3.960 -0.164 0.000 0.267 575 G HA3 0.310 4.172 3.960 -0.164 0.000 0.267 575 G C 0.799 175.804 174.900 0.175 0.000 1.406 575 G CA -0.569 44.636 45.100 0.175 0.000 1.048 575 G HN 0.437 nan 8.290 nan 0.000 0.548 576 I N -0.331 120.276 120.570 0.062 0.000 2.567 576 I HA -0.143 3.929 4.170 -0.164 0.000 0.257 576 I C 2.527 178.641 176.117 -0.005 0.000 1.184 576 I CA 1.298 62.624 61.300 0.043 0.000 1.451 576 I CB -0.006 38.012 38.000 0.030 0.000 1.089 576 I HN 0.539 nan 8.210 nan 0.000 0.441 577 E N 0.642 120.749 120.200 -0.156 0.000 2.085 577 E HA -0.246 4.006 4.350 -0.164 0.000 0.194 577 E C 1.846 178.219 176.600 -0.378 0.000 0.994 577 E CA 1.830 58.013 56.400 -0.362 0.000 0.801 577 E CB -0.413 28.925 29.700 -0.604 0.000 0.743 577 E HN 0.499 nan 8.360 nan 0.000 0.453 578 F N 0.557 120.511 119.950 0.007 0.000 2.186 578 F HA -0.101 4.327 4.527 -0.166 0.000 0.299 578 F C 2.111 177.933 175.800 0.036 0.000 1.090 578 F CA 1.320 59.324 58.000 0.007 0.000 1.307 578 F CB -0.550 38.453 39.000 0.005 0.000 1.019 578 F HN 0.008 nan 8.300 nan 0.000 0.489 579 D N -1.086 119.424 120.400 0.183 0.000 2.144 579 D HA -0.255 4.287 4.640 -0.164 0.000 0.199 579 D C 2.132 178.485 176.300 0.088 0.000 0.984 579 D CA 0.920 54.993 54.000 0.123 0.000 0.834 579 D CB -0.249 40.605 40.800 0.090 0.000 0.955 579 D HN 0.307 nan 8.370 nan 0.000 0.465 580 Y N 0.471 120.723 120.300 -0.081 0.000 2.097 580 Y HA -0.304 4.148 4.550 -0.163 0.000 0.282 580 Y C 2.292 178.070 175.900 -0.203 0.000 1.152 580 Y CA 1.731 59.726 58.100 -0.174 0.000 1.136 580 Y CB -0.499 37.813 38.460 -0.248 0.000 0.975 580 Y HN 0.146 nan 8.280 nan 0.000 0.498 581 C N -0.712 118.601 119.300 0.021 0.000 2.413 581 C HA -0.266 4.096 4.460 -0.164 0.000 0.277 581 C C 2.967 178.055 174.990 0.163 0.000 1.228 581 C CA 1.089 60.073 59.018 -0.057 0.000 1.731 581 C CB -1.713 25.832 27.740 -0.325 0.000 2.042 581 C HN 0.793 nan 8.230 nan 0.000 0.468 582 C N 0.444 119.876 119.300 0.221 0.000 2.391 582 C HA -0.129 4.233 4.460 -0.164 0.000 0.276 582 C C 2.758 177.833 174.990 0.140 0.000 1.217 582 C CA 1.340 60.502 59.018 0.240 0.000 1.766 582 C CB -1.438 26.396 27.740 0.157 0.000 2.046 582 C HN 0.572 nan 8.230 nan 0.000 0.475 583 V N -0.776 119.177 119.914 0.065 0.000 2.379 583 V HA -0.208 3.814 4.120 -0.164 0.000 0.245 583 V C 2.284 178.435 176.094 0.095 0.000 1.044 583 V CA 1.887 64.214 62.300 0.044 0.000 1.036 583 V CB -0.852 30.963 31.823 -0.014 0.000 0.664 583 V HN 0.662 nan 8.190 nan 0.000 0.453 584 H N -0.172 118.839 119.070 -0.098 0.000 2.321 584 H HA -0.167 4.292 4.556 -0.162 0.000 0.300 584 H C 2.382 177.727 175.328 0.028 0.000 1.087 584 H CA 1.269 57.269 56.048 -0.080 0.000 1.319 584 H CB 0.027 29.704 29.762 -0.142 0.000 1.379 584 H HN 0.469 nan 8.280 nan 0.000 0.501 585 A N 0.291 123.251 122.820 0.233 0.000 1.892 585 A HA -0.255 3.967 4.320 -0.164 0.000 0.218 585 A C 2.583 180.188 177.584 0.035 0.000 1.188 585 A CA 2.128 54.240 52.037 0.125 0.000 0.631 585 A CB -0.918 18.107 19.000 0.043 0.000 0.822 585 A HN 0.397 nan 8.150 nan 0.000 0.447 586 S N -0.633 115.093 115.700 0.042 0.000 2.338 586 S HA -0.079 4.293 4.470 -0.164 0.000 0.218 586 S C 1.969 176.582 174.600 0.022 0.000 1.032 586 S CA 1.347 59.560 58.200 0.023 0.000 0.999 586 S CB -0.530 62.688 63.200 0.029 0.000 0.905 586 S HN 0.472 nan 8.310 nan 0.000 0.439 587 L N 1.031 122.263 121.223 0.015 0.000 2.081 587 L HA -0.188 4.054 4.340 -0.164 0.000 0.212 587 L C 2.852 179.713 176.870 -0.015 0.000 1.080 587 L CA 1.470 56.303 54.840 -0.011 0.000 0.754 587 L CB -0.799 41.226 42.059 -0.057 0.000 0.893 587 L HN 0.455 nan 8.230 nan 0.000 0.433 588 A N 0.163 122.974 122.820 -0.015 0.000 1.840 588 A HA -0.113 4.109 4.320 -0.164 0.000 0.214 588 A C 2.188 179.796 177.584 0.039 0.000 1.198 588 A CA 1.100 53.134 52.037 -0.005 0.000 0.608 588 A CB -0.664 18.335 19.000 -0.001 0.000 0.839 588 A HN 0.329 nan 8.150 nan 0.000 0.443 589 L N -0.791 120.456 121.223 0.040 0.000 2.046 589 L HA -0.183 4.059 4.340 -0.164 0.000 0.208 589 L C 2.760 179.745 176.870 0.191 0.000 1.077 589 L CA 1.826 56.731 54.840 0.107 0.000 0.747 589 L CB -0.540 41.483 42.059 -0.059 0.000 0.896 589 L HN 0.471 nan 8.230 nan 0.000 0.432 590 R N 0.638 121.202 120.500 0.107 0.000 2.096 590 R HA -0.243 3.999 4.340 -0.164 0.000 0.235 590 R C 2.206 178.546 176.300 0.067 0.000 1.127 590 R CA 1.840 57.995 56.100 0.092 0.000 0.968 590 R CB -0.054 30.280 30.300 0.056 0.000 0.861 590 R HN 0.364 nan 8.270 nan 0.000 0.440 591 E N 0.573 120.804 120.200 0.053 0.000 2.072 591 E HA -0.177 4.074 4.350 -0.164 0.000 0.191 591 E C 1.121 177.746 176.600 0.040 0.000 0.985 591 E CA 1.849 58.268 56.400 0.032 0.000 0.801 591 E CB -0.108 29.601 29.700 0.014 0.000 0.750 591 E HN 0.295 nan 8.360 nan 0.000 0.452 592 D N -1.045 119.403 120.400 0.081 0.000 2.351 592 D HA 0.014 4.556 4.640 -0.164 0.000 0.216 592 D C 1.101 177.403 176.300 0.003 0.000 0.968 592 D CA 1.331 55.380 54.000 0.082 0.000 0.899 592 D CB 0.258 41.168 40.800 0.183 0.000 0.907 592 D HN 0.433 nan 8.370 nan 0.000 0.514 593 G N -1.408 107.398 108.800 0.011 0.000 2.184 593 G HA2 -0.254 3.608 3.960 -0.164 0.000 0.206 593 G HA3 -0.254 3.608 3.960 -0.164 0.000 0.206 593 G C 0.060 174.902 174.900 -0.097 0.000 0.995 593 G CA -0.394 44.663 45.100 -0.071 0.000 0.651 593 G HN 0.278 nan 8.290 nan 0.000 0.511 594 Y N 0.874 121.172 120.300 -0.004 0.000 2.330 594 Y HA 0.452 4.905 4.550 -0.163 0.000 0.341 594 Y C 1.072 176.972 175.900 -0.000 0.000 1.278 594 Y CA 0.319 58.416 58.100 -0.004 0.000 1.453 594 Y CB 0.537 38.992 38.460 -0.007 0.000 1.342 594 Y HN 0.195 nan 8.280 nan 0.000 0.590 595 E N 1.330 121.641 120.200 0.185 0.000 2.105 595 E HA 0.152 4.404 4.350 -0.164 0.000 0.285 595 E C -0.904 175.759 176.600 0.106 0.000 1.055 595 E CA -0.570 55.894 56.400 0.108 0.000 0.843 595 E CB 0.436 30.181 29.700 0.075 0.000 1.067 595 E HN 0.629 nan 8.360 nan 0.000 0.398 596 T N 2.537 117.141 114.554 0.083 0.000 2.799 596 T HA 0.510 4.761 4.350 -0.164 0.000 0.286 596 T C 0.070 174.804 174.700 0.058 0.000 0.973 596 T CA -0.698 61.437 62.100 0.059 0.000 1.035 596 T CB 0.493 69.389 68.868 0.047 0.000 0.932 596 T HN 0.343 nan 8.240 nan 0.000 0.469 597 I N 3.686 124.289 120.570 0.056 0.000 2.410 597 I HA 0.356 4.428 4.170 -0.164 0.000 0.286 597 I C -0.345 175.820 176.117 0.079 0.000 1.009 597 I CA -0.954 60.401 61.300 0.093 0.000 1.111 597 I CB 1.936 40.006 38.000 0.117 0.000 1.262 597 I HN 0.582 nan 8.210 nan 0.000 0.443 598 M N 7.947 127.600 119.600 0.088 0.000 2.188 598 M HA 0.449 4.831 4.480 -0.164 0.000 0.357 598 M C -1.177 175.181 176.300 0.095 0.000 1.204 598 M CA -0.238 55.099 55.300 0.061 0.000 1.095 598 M CB 1.231 33.848 32.600 0.029 0.000 1.604 598 M HN 0.283 nan 8.290 nan 0.000 0.464 599 V N 5.841 125.783 119.914 0.046 0.000 2.325 599 V HA 0.620 4.642 4.120 -0.164 0.000 0.280 599 V C -0.606 175.467 176.094 -0.035 0.000 1.016 599 V CA -0.597 61.727 62.300 0.040 0.000 0.818 599 V CB 0.678 32.506 31.823 0.009 0.000 1.019 599 V HN 0.923 nan 8.190 nan 0.000 0.434 600 N N 2.643 121.274 118.700 -0.116 0.000 2.710 600 N HA 0.476 5.118 4.740 -0.164 0.000 0.257 600 N C -0.329 174.838 175.510 -0.573 0.000 1.327 600 N CA -0.378 52.531 53.050 -0.236 0.000 0.861 600 N CB 2.126 40.497 38.487 -0.192 0.000 1.532 600 N HN 0.620 nan 8.380 nan 0.000 0.499 601 C N 0.318 119.283 119.300 -0.559 0.000 3.101 601 C HA 0.542 4.904 4.460 -0.164 0.000 0.253 601 C C 0.020 174.746 174.990 -0.440 0.000 1.754 601 C CA -1.014 57.470 59.018 -0.891 0.000 1.756 601 C CB -1.710 25.830 27.740 -0.334 0.000 3.227 601 C HN 0.569 nan 8.230 nan 0.000 0.483 602 N N 2.742 121.250 118.700 -0.320 0.000 2.439 602 N HA 0.354 4.996 4.740 -0.164 0.000 0.249 602 N C -1.102 174.421 175.510 0.023 0.000 1.003 602 N CA -2.271 50.729 53.050 -0.082 0.000 0.942 602 N CB 1.802 40.244 38.487 -0.076 0.000 1.115 602 N HN 0.223 nan 8.380 nan 0.000 0.505 603 P HA -0.094 nan 4.420 nan 0.000 0.223 603 P C 0.148 177.386 177.300 -0.102 0.000 1.151 603 P CA 1.215 64.409 63.100 0.156 0.000 0.787 603 P CB 0.437 32.201 31.700 0.107 0.000 0.788 604 E N 0.039 120.176 120.200 -0.106 0.000 2.358 604 E HA -0.020 4.232 4.350 -0.164 0.000 0.195 604 E C 1.026 177.540 176.600 -0.144 0.000 1.010 604 E CA 0.576 56.882 56.400 -0.157 0.000 0.856 604 E CB -0.434 29.203 29.700 -0.104 0.000 0.795 604 E HN 0.382 nan 8.360 nan 0.000 0.504 605 T N -2.228 112.257 114.554 -0.116 0.000 2.902 605 T HA 0.213 4.465 4.350 -0.164 0.000 0.280 605 T C 1.326 176.039 174.700 0.022 0.000 0.992 605 T CA -0.803 61.283 62.100 -0.024 0.000 1.015 605 T CB 1.846 70.711 68.868 -0.006 0.000 1.044 605 T HN -0.205 nan 8.240 nan 0.000 0.520 606 V N 1.737 121.722 119.914 0.117 0.000 2.515 606 V HA -0.138 3.884 4.120 -0.164 0.000 0.250 606 V C 3.081 179.211 176.094 0.059 0.000 1.058 606 V CA 2.209 64.598 62.300 0.148 0.000 1.064 606 V CB -1.017 30.866 31.823 0.101 0.000 0.675 606 V HN 1.112 nan 8.190 nan 0.000 0.461 607 S N 0.973 116.686 115.700 0.022 0.000 2.399 607 S HA -0.199 4.173 4.470 -0.164 0.000 0.231 607 S C 1.817 176.396 174.600 -0.034 0.000 1.022 607 S CA 1.787 59.985 58.200 -0.003 0.000 0.983 607 S CB -0.813 62.384 63.200 -0.006 0.000 0.803 607 S HN 0.721 nan 8.310 nan 0.000 0.480 608 T N -1.029 113.493 114.554 -0.054 0.000 3.235 608 T HA 0.191 4.443 4.350 -0.164 0.000 0.251 608 T C 0.028 174.675 174.700 -0.089 0.000 1.060 608 T CA -0.181 61.887 62.100 -0.052 0.000 0.949 608 T CB -0.333 68.539 68.868 0.006 0.000 1.020 608 T HN 0.329 nan 8.240 nan 0.000 0.564 609 D N 1.472 121.826 120.400 -0.077 0.000 2.295 609 D HA 0.076 4.618 4.640 -0.164 0.000 0.248 609 D C 1.137 177.305 176.300 -0.219 0.000 1.154 609 D CA -0.990 52.930 54.000 -0.134 0.000 0.857 609 D CB 0.771 41.590 40.800 0.033 0.000 1.117 609 D HN 0.424 nan 8.370 nan 0.000 0.468 610 Y N 2.064 122.296 120.300 -0.113 0.000 2.365 610 Y HA -0.142 4.311 4.550 -0.163 0.000 0.287 610 Y C 1.208 177.090 175.900 -0.031 0.000 1.162 610 Y CA 0.913 58.939 58.100 -0.125 0.000 1.260 610 Y CB -0.548 37.850 38.460 -0.103 0.000 0.976 610 Y HN 0.250 nan 8.280 nan 0.000 0.548 611 D N 0.017 120.382 120.400 -0.059 0.000 2.347 611 D HA -0.062 4.479 4.640 -0.164 0.000 0.215 611 D C 1.590 177.903 176.300 0.022 0.000 0.976 611 D CA 1.343 55.369 54.000 0.043 0.000 0.884 611 D CB -0.133 40.649 40.800 -0.030 0.000 0.915 611 D HN 0.499 nan 8.370 nan 0.000 0.526 612 T N -0.542 114.010 114.554 -0.003 0.000 3.055 612 T HA 0.013 4.265 4.350 -0.164 0.000 0.265 612 T C 1.078 175.792 174.700 0.023 0.000 1.111 612 T CA 0.407 62.511 62.100 0.007 0.000 1.118 612 T CB 0.222 69.090 68.868 0.000 0.000 0.909 612 T HN 0.202 nan 8.240 nan 0.000 0.501 613 S N -0.486 115.235 115.700 0.034 0.000 2.671 613 S HA 0.403 4.775 4.470 -0.164 0.000 0.277 613 S C -0.171 174.457 174.600 0.048 0.000 1.165 613 S CA -0.895 57.328 58.200 0.039 0.000 0.822 613 S CB 1.510 64.731 63.200 0.035 0.000 1.150 613 S HN -0.114 nan 8.310 nan 0.000 0.479 614 D N 0.672 121.100 120.400 0.046 0.000 2.103 614 D HA 0.076 4.618 4.640 -0.164 0.000 0.199 614 D C 0.270 176.588 176.300 0.031 0.000 0.978 614 D CA 1.199 55.224 54.000 0.042 0.000 0.829 614 D CB 0.061 40.887 40.800 0.043 0.000 0.981 614 D HN 0.443 nan 8.370 nan 0.000 0.464 615 R N 0.068 120.585 120.500 0.028 0.000 2.561 615 R HA 0.508 4.750 4.340 -0.164 0.000 0.297 615 R C -1.169 175.129 176.300 -0.003 0.000 0.969 615 R CA -0.790 55.302 56.100 -0.013 0.000 0.879 615 R CB 2.370 32.674 30.300 0.007 0.000 1.178 615 R HN -0.077 nan 8.270 nan 0.000 0.445 616 L N 3.086 124.264 121.223 -0.075 0.000 2.349 616 L HA 0.429 4.671 4.340 -0.164 0.000 0.278 616 L C -1.703 175.121 176.870 -0.077 0.000 0.996 616 L CA -0.540 54.288 54.840 -0.021 0.000 0.825 616 L CB 1.061 43.098 42.059 -0.036 0.000 1.243 616 L HN 0.542 nan 8.230 nan 0.000 0.412 617 Y N 5.382 125.745 120.300 0.106 0.000 2.587 617 Y HA 0.319 4.771 4.550 -0.164 0.000 0.328 617 Y C -0.385 175.633 175.900 0.196 0.000 0.980 617 Y CA -0.250 57.943 58.100 0.154 0.000 1.272 617 Y CB 0.968 39.454 38.460 0.043 0.000 1.094 617 Y HN 0.547 nan 8.280 nan 0.000 0.503 618 F N 4.822 124.964 119.950 0.319 0.000 2.651 618 F HA 0.192 4.621 4.527 -0.163 0.000 0.347 618 F C 0.064 176.012 175.800 0.247 0.000 1.284 618 F CA 0.044 58.207 58.000 0.272 0.000 1.175 618 F CB -0.309 38.915 39.000 0.372 0.000 1.542 618 F HN 0.409 nan 8.300 nan 0.000 0.661 619 E N 4.112 124.427 120.200 0.190 0.000 2.416 619 E HA 0.357 4.609 4.350 -0.164 0.000 0.273 619 E C -2.721 173.921 176.600 0.070 0.000 0.935 619 E CA -2.314 54.206 56.400 0.200 0.000 0.784 619 E CB 1.383 31.236 29.700 0.254 0.000 1.301 619 E HN 0.058 nan 8.360 nan 0.000 0.454 620 P HA 0.024 nan 4.420 nan 0.000 0.268 620 P C 0.130 177.445 177.300 0.025 0.000 1.204 620 P CA -0.077 63.050 63.100 0.044 0.000 0.768 620 P CB 0.338 32.073 31.700 0.059 0.000 0.842 621 V N 3.299 123.210 119.914 -0.005 0.000 1.973 621 V HA 0.083 4.105 4.120 -0.164 0.000 0.255 621 V C 1.132 177.223 176.094 -0.004 0.000 1.605 621 V CA 0.237 62.530 62.300 -0.012 0.000 1.542 621 V CB -1.566 30.238 31.823 -0.031 0.000 1.504 621 V HN 0.663 nan 8.190 nan 0.000 0.505 622 T N -1.116 113.445 114.554 0.011 0.000 2.950 622 T HA 0.535 4.787 4.350 -0.164 0.000 0.288 622 T C 0.766 175.474 174.700 0.013 0.000 1.035 622 T CA -0.682 61.426 62.100 0.014 0.000 1.028 622 T CB 2.197 71.081 68.868 0.028 0.000 1.109 622 T HN 0.075 nan 8.240 nan 0.000 0.514 623 L N 1.215 122.445 121.223 0.011 0.000 1.971 623 L HA -0.031 4.211 4.340 -0.164 0.000 0.215 623 L C 2.657 179.541 176.870 0.024 0.000 1.072 623 L CA 2.651 57.497 54.840 0.010 0.000 0.758 623 L CB -1.106 40.958 42.059 0.009 0.000 0.889 623 L HN 1.038 nan 8.230 nan 0.000 0.433 624 E N -0.602 119.620 120.200 0.036 0.000 2.035 624 E HA -0.302 3.950 4.350 -0.164 0.000 0.204 624 E C 1.743 178.386 176.600 0.073 0.000 1.025 624 E CA 2.113 58.548 56.400 0.057 0.000 0.835 624 E CB -0.380 29.360 29.700 0.066 0.000 0.764 624 E HN 0.649 nan 8.360 nan 0.000 0.457 625 D N 0.099 120.545 120.400 0.075 0.000 2.218 625 D HA -0.131 4.411 4.640 -0.164 0.000 0.204 625 D C 2.168 178.503 176.300 0.058 0.000 0.976 625 D CA 1.034 55.091 54.000 0.095 0.000 0.853 625 D CB 0.027 40.891 40.800 0.107 0.000 0.939 625 D HN 0.184 nan 8.370 nan 0.000 0.481 626 V N 1.455 121.383 119.914 0.023 0.000 2.323 626 V HA -0.181 3.841 4.120 -0.164 0.000 0.244 626 V C 2.732 178.808 176.094 -0.029 0.000 1.041 626 V CA 0.853 63.141 62.300 -0.020 0.000 1.025 626 V CB -0.484 31.324 31.823 -0.025 0.000 0.656 626 V HN 0.141 nan 8.190 nan 0.000 0.451 627 L N -0.320 120.905 121.223 0.003 0.000 1.978 627 L HA -0.256 3.985 4.340 -0.164 0.000 0.218 627 L C 2.792 179.672 176.870 0.017 0.000 1.075 627 L CA 1.735 56.581 54.840 0.010 0.000 0.767 627 L CB -0.830 41.248 42.059 0.032 0.000 0.890 627 L HN 0.297 nan 8.230 nan 0.000 0.434 628 E N 0.192 120.431 120.200 0.066 0.000 2.136 628 E HA -0.264 3.988 4.350 -0.164 0.000 0.208 628 E C 2.098 178.734 176.600 0.060 0.000 1.035 628 E CA 1.643 58.114 56.400 0.118 0.000 0.838 628 E CB -0.384 29.429 29.700 0.188 0.000 0.748 628 E HN 0.530 nan 8.360 nan 0.000 0.459 629 I N -0.103 120.423 120.570 -0.073 0.000 2.286 629 I HA -0.203 3.868 4.170 -0.164 0.000 0.245 629 I C 2.358 178.314 176.117 -0.267 0.000 1.104 629 I CA 0.566 61.646 61.300 -0.367 0.000 1.397 629 I CB -0.441 37.184 38.000 -0.626 0.000 1.072 629 I HN -0.034 nan 8.210 nan 0.000 0.417 630 V N 1.085 120.903 119.914 -0.160 0.000 2.233 630 V HA -0.336 3.686 4.120 -0.164 0.000 0.247 630 V C 2.668 178.712 176.094 -0.084 0.000 1.050 630 V CA 2.138 64.371 62.300 -0.112 0.000 1.010 630 V CB -0.859 30.920 31.823 -0.072 0.000 0.637 630 V HN 0.429 nan 8.190 nan 0.000 0.444 631 R N 0.209 120.674 120.500 -0.058 0.000 2.224 631 R HA -0.285 3.957 4.340 -0.164 0.000 0.255 631 R C 2.184 178.447 176.300 -0.060 0.000 1.130 631 R CA 2.936 59.005 56.100 -0.052 0.000 0.957 631 R CB -0.487 29.785 30.300 -0.047 0.000 0.907 631 R HN 0.763 nan 8.270 nan 0.000 0.446 632 I N -2.914 117.619 120.570 -0.062 0.000 3.035 632 I HA 0.071 4.143 4.170 -0.164 0.000 0.271 632 I C 1.515 177.601 176.117 -0.051 0.000 1.190 632 I CA 0.705 61.977 61.300 -0.047 0.000 1.472 632 I CB -0.041 37.951 38.000 -0.013 0.000 1.116 632 I HN -0.021 nan 8.210 nan 0.000 0.443 633 E N 1.904 122.055 120.200 -0.081 0.000 2.170 633 E HA -0.036 4.216 4.350 -0.164 0.000 0.191 633 E C 0.255 176.833 176.600 -0.036 0.000 0.981 633 E CA 0.289 56.655 56.400 -0.057 0.000 0.830 633 E CB -0.082 29.566 29.700 -0.086 0.000 0.775 633 E HN 0.471 nan 8.360 nan 0.000 0.470 634 K N 1.266 121.640 120.400 -0.044 0.000 3.689 634 K HA -0.149 4.072 4.320 -0.164 0.000 0.276 634 K C -2.449 174.140 176.600 -0.019 0.000 0.932 634 K CA 0.152 56.422 56.287 -0.029 0.000 0.758 634 K CB -1.033 31.455 32.500 -0.020 0.000 1.500 634 K HN 0.213 nan 8.250 nan 0.000 0.448 635 P HA -0.039 nan 4.420 nan 0.000 0.273 635 P C 0.420 177.717 177.300 -0.005 0.000 1.250 635 P CA -0.245 62.847 63.100 -0.012 0.000 0.793 635 P CB 0.881 32.563 31.700 -0.029 0.000 1.011 636 K N -0.116 120.291 120.400 0.012 0.000 2.031 636 K HA 0.057 4.279 4.320 -0.164 0.000 0.205 636 K C 0.927 177.521 176.600 -0.010 0.000 1.049 636 K CA 1.378 57.676 56.287 0.018 0.000 0.939 636 K CB -0.447 32.092 32.500 0.064 0.000 0.717 636 K HN 0.701 nan 8.250 nan 0.000 0.438 637 G N -0.609 108.169 108.800 -0.035 0.000 2.694 637 G HA2 0.517 4.379 3.960 -0.164 0.000 0.290 637 G HA3 0.517 4.379 3.960 -0.164 0.000 0.290 637 G C -1.833 173.019 174.900 -0.079 0.000 1.386 637 G CA -0.617 44.446 45.100 -0.062 0.000 0.872 637 G HN -0.012 nan 8.290 nan 0.000 0.475 638 V N 0.715 120.579 119.914 -0.083 0.000 2.668 638 V HA 0.396 4.417 4.120 -0.164 0.000 0.304 638 V C -0.547 175.484 176.094 -0.105 0.000 1.071 638 V CA -0.476 61.771 62.300 -0.088 0.000 0.894 638 V CB 1.677 33.459 31.823 -0.067 0.000 1.008 638 V HN 0.666 nan 8.190 nan 0.000 0.425 639 I N 5.053 125.541 120.570 -0.137 0.000 2.325 639 I HA 0.275 4.347 4.170 -0.164 0.000 0.291 639 I C 0.795 176.843 176.117 -0.114 0.000 1.019 639 I CA -0.127 61.068 61.300 -0.175 0.000 1.302 639 I CB 1.684 39.501 38.000 -0.306 0.000 1.401 639 I HN 0.610 nan 8.210 nan 0.000 0.485 640 V N 2.211 122.081 119.914 -0.072 0.000 3.276 640 V HA 0.240 4.262 4.120 -0.164 0.000 0.319 640 V C 0.799 176.905 176.094 0.020 0.000 1.427 640 V CA 0.113 62.398 62.300 -0.026 0.000 1.102 640 V CB 0.033 31.840 31.823 -0.027 0.000 1.020 640 V HN 0.790 nan 8.190 nan 0.000 0.456 641 Q N -0.886 118.946 119.800 0.054 0.000 2.282 641 Q HA 0.368 4.610 4.340 -0.164 0.000 0.206 641 Q C 1.003 177.262 176.000 0.432 0.000 0.878 641 Q CA 0.417 56.326 55.803 0.177 0.000 0.944 641 Q CB 0.245 29.088 28.738 0.175 0.000 1.100 641 Q HN 0.739 nan 8.270 nan 0.000 0.509 642 Y N -1.719 118.615 120.300 0.055 0.000 2.483 642 Y HA 0.367 4.819 4.550 -0.164 0.000 0.258 642 Y C 1.925 177.923 175.900 0.164 0.000 1.083 642 Y CA 0.025 58.193 58.100 0.115 0.000 1.283 642 Y CB 0.262 38.773 38.460 0.085 0.000 1.178 642 Y HN 0.104 nan 8.280 nan 0.000 0.515 643 G N -0.349 108.581 108.800 0.217 0.000 3.141 643 G HA2 0.419 4.281 3.960 -0.164 0.000 0.218 643 G HA3 0.419 4.281 3.960 -0.164 0.000 0.218 643 G C 0.868 175.708 174.900 -0.100 0.000 1.170 643 G CA 0.548 45.715 45.100 0.112 0.000 0.769 643 G HN 0.587 nan 8.290 nan 0.000 0.546 644 G N 0.136 108.772 108.800 -0.272 0.000 2.545 644 G HA2 -0.271 3.591 3.960 -0.164 0.000 0.216 644 G HA3 -0.271 3.591 3.960 -0.164 0.000 0.216 644 G C 0.891 175.589 174.900 -0.337 0.000 1.314 644 G CA 0.569 45.245 45.100 -0.708 0.000 0.906 644 G HN 0.644 nan 8.290 nan 0.000 0.563 645 Q N -0.768 118.830 119.800 -0.338 0.000 2.181 645 Q HA -0.109 4.133 4.340 -0.164 0.000 0.205 645 Q C 2.347 178.267 176.000 -0.133 0.000 0.980 645 Q CA 2.906 58.594 55.803 -0.192 0.000 0.862 645 Q CB -0.607 28.027 28.738 -0.174 0.000 0.905 645 Q HN 0.699 nan 8.270 nan 0.000 0.429 646 T N 1.981 116.453 114.554 -0.138 0.000 2.580 646 T HA -0.108 4.144 4.350 -0.164 0.000 0.265 646 T C -0.993 173.669 174.700 -0.062 0.000 1.063 646 T CA 1.928 63.976 62.100 -0.087 0.000 1.170 646 T CB -1.028 67.794 68.868 -0.077 0.000 0.863 646 T HN 0.475 nan 8.240 nan 0.000 0.418 647 P HA 0.153 nan 4.420 nan 0.000 0.231 647 P C 1.531 178.811 177.300 -0.034 0.000 1.168 647 P CA 0.436 63.515 63.100 -0.036 0.000 0.779 647 P CB -0.128 31.559 31.700 -0.022 0.000 0.844 648 L N -0.014 121.182 121.223 -0.045 0.000 2.156 648 L HA -0.021 4.220 4.340 -0.164 0.000 0.208 648 L C 2.177 179.025 176.870 -0.037 0.000 1.095 648 L CA 1.761 56.578 54.840 -0.038 0.000 0.770 648 L CB -0.553 41.475 42.059 -0.051 0.000 0.914 648 L HN -0.210 nan 8.230 nan 0.000 0.439 649 K N -0.832 119.542 120.400 -0.043 0.000 2.365 649 K HA -0.025 4.197 4.320 -0.164 0.000 0.199 649 K C 1.748 178.332 176.600 -0.028 0.000 1.045 649 K CA 0.772 57.037 56.287 -0.037 0.000 0.962 649 K CB 0.025 32.500 32.500 -0.041 0.000 0.759 649 K HN 0.349 nan 8.250 nan 0.000 0.469 650 L N -0.200 121.006 121.223 -0.027 0.000 2.477 650 L HA 0.066 4.308 4.340 -0.164 0.000 0.220 650 L C 2.321 179.179 176.870 -0.019 0.000 1.106 650 L CA 0.033 54.860 54.840 -0.021 0.000 0.851 650 L CB -0.296 41.750 42.059 -0.022 0.000 0.994 650 L HN 0.104 nan 8.230 nan 0.000 0.462 651 A N 0.987 123.794 122.820 -0.021 0.000 1.859 651 A HA -0.255 3.967 4.320 -0.164 0.000 0.217 651 A C 2.402 179.977 177.584 -0.015 0.000 1.198 651 A CA 1.753 53.779 52.037 -0.019 0.000 0.629 651 A CB -0.470 18.520 19.000 -0.017 0.000 0.830 651 A HN 0.317 nan 8.150 nan 0.000 0.446 652 R N -0.747 119.744 120.500 -0.014 0.000 2.088 652 R HA -0.160 4.082 4.340 -0.164 0.000 0.232 652 R C 2.572 178.866 176.300 -0.010 0.000 1.136 652 R CA 1.444 57.538 56.100 -0.011 0.000 0.926 652 R CB -0.921 29.373 30.300 -0.010 0.000 0.837 652 R HN 0.527 nan 8.270 nan 0.000 0.429 653 A N 1.695 124.509 122.820 -0.010 0.000 1.903 653 A HA -0.211 4.011 4.320 -0.164 0.000 0.219 653 A C 2.355 179.934 177.584 -0.008 0.000 1.191 653 A CA 1.599 53.632 52.037 -0.008 0.000 0.638 653 A CB -0.818 18.178 19.000 -0.008 0.000 0.823 653 A HN 0.231 nan 8.150 nan 0.000 0.451 654 L N -1.200 120.016 121.223 -0.011 0.000 1.989 654 L HA -0.238 4.003 4.340 -0.164 0.000 0.211 654 L C 2.767 179.630 176.870 -0.012 0.000 1.071 654 L CA 2.028 56.861 54.840 -0.013 0.000 0.749 654 L CB -0.512 41.536 42.059 -0.019 0.000 0.890 654 L HN 0.596 nan 8.230 nan 0.000 0.431 655 E N 0.005 120.197 120.200 -0.013 0.000 2.038 655 E HA -0.278 3.974 4.350 -0.164 0.000 0.195 655 E C 2.184 178.779 176.600 -0.008 0.000 1.000 655 E CA 1.316 57.709 56.400 -0.011 0.000 0.803 655 E CB -0.073 29.621 29.700 -0.011 0.000 0.750 655 E HN 0.472 nan 8.360 nan 0.000 0.448 656 A N 0.985 123.801 122.820 -0.006 0.000 1.978 656 A HA -0.124 4.098 4.320 -0.164 0.000 0.220 656 A C 2.205 179.787 177.584 -0.003 0.000 1.170 656 A CA 1.698 53.732 52.037 -0.004 0.000 0.636 656 A CB -0.562 18.436 19.000 -0.004 0.000 0.810 656 A HN 0.369 nan 8.150 nan 0.000 0.448 657 A N -1.657 121.161 122.820 -0.003 0.000 2.252 657 A HA 0.399 4.621 4.320 -0.164 0.000 0.207 657 A C 1.685 179.268 177.584 -0.002 0.000 1.194 657 A CA 1.170 53.207 52.037 -0.001 0.000 0.809 657 A CB -1.121 17.879 19.000 0.001 0.000 0.814 657 A HN 1.947 nan 8.150 nan 0.000 0.482 658 G N -1.543 107.254 108.800 -0.005 0.000 2.132 658 G HA2 -0.172 3.689 3.960 -0.164 0.000 0.228 658 G HA3 -0.172 3.689 3.960 -0.164 0.000 0.228 658 G C 0.061 174.954 174.900 -0.011 0.000 1.000 658 G CA 0.022 45.118 45.100 -0.007 0.000 0.693 658 G HN 0.761 nan 8.290 nan 0.000 0.515 659 V N 1.486 121.391 119.914 -0.014 0.000 2.583 659 V HA 0.406 4.428 4.120 -0.164 0.000 0.287 659 V C -1.142 174.940 176.094 -0.021 0.000 1.051 659 V CA -1.019 61.269 62.300 -0.021 0.000 1.010 659 V CB 1.416 33.224 31.823 -0.025 0.000 0.988 659 V HN 0.191 nan 8.190 nan 0.000 0.478 660 P HA 0.147 nan 4.420 nan 0.000 0.230 660 P C -0.275 177.006 177.300 -0.033 0.000 1.791 660 P CA -0.145 62.940 63.100 -0.024 0.000 1.020 660 P CB -0.085 31.602 31.700 -0.023 0.000 1.977 661 V N 4.357 124.252 119.914 -0.031 0.000 2.450 661 V HA -0.018 4.004 4.120 -0.164 0.000 0.281 661 V C 1.298 177.367 176.094 -0.042 0.000 1.019 661 V CA 0.037 62.314 62.300 -0.039 0.000 1.062 661 V CB -0.503 31.302 31.823 -0.030 0.000 0.979 661 V HN 0.328 nan 8.190 nan 0.000 0.477 662 I N 2.758 123.292 120.570 -0.061 0.000 2.783 662 I HA 0.990 5.062 4.170 -0.164 0.000 0.312 662 I C 0.703 176.781 176.117 -0.064 0.000 0.988 662 I CA 0.033 61.295 61.300 -0.064 0.000 1.182 662 I CB 1.426 39.374 38.000 -0.087 0.000 1.368 662 I HN 0.838 nan 8.210 nan 0.000 0.511 663 G N 2.975 111.747 108.800 -0.047 0.000 2.615 663 G HA2 -0.182 3.680 3.960 -0.164 0.000 0.218 663 G HA3 -0.182 3.680 3.960 -0.164 0.000 0.218 663 G C -0.173 174.723 174.900 -0.008 0.000 1.339 663 G CA -0.342 44.741 45.100 -0.029 0.000 0.884 663 G HN 0.996 nan 8.290 nan 0.000 0.559 664 T N 1.436 115.994 114.554 0.007 0.000 2.800 664 T HA 0.385 4.637 4.350 -0.164 0.000 0.283 664 T C 1.384 176.088 174.700 0.006 0.000 0.999 664 T CA 0.932 63.039 62.100 0.013 0.000 1.176 664 T CB 0.107 68.987 68.868 0.021 0.000 0.973 664 T HN 1.908 nan 8.240 nan 0.000 0.519 665 S N 4.318 120.023 115.700 0.008 0.000 2.569 665 S HA 0.096 4.468 4.470 -0.164 0.000 0.274 665 S C -1.549 173.053 174.600 0.002 0.000 1.353 665 S CA -1.200 57.002 58.200 0.003 0.000 1.023 665 S CB 0.513 63.718 63.200 0.008 0.000 0.876 665 S HN 0.352 nan 8.310 nan 0.000 0.540 666 P HA -0.077 nan 4.420 nan 0.000 0.218 666 P C 0.997 178.296 177.300 -0.002 0.000 1.149 666 P CA 1.470 64.567 63.100 -0.005 0.000 0.817 666 P CB -0.103 31.593 31.700 -0.008 0.000 0.785 667 D N -0.256 120.145 120.400 0.002 0.000 2.084 667 D HA -0.137 4.405 4.640 -0.164 0.000 0.196 667 D C 1.984 178.290 176.300 0.010 0.000 0.985 667 D CA 1.514 55.517 54.000 0.005 0.000 0.826 667 D CB -0.743 40.062 40.800 0.007 0.000 0.978 667 D HN -0.068 nan 8.370 nan 0.000 0.456 668 A N 0.529 123.357 122.820 0.015 0.000 1.884 668 A HA -0.241 3.981 4.320 -0.164 0.000 0.219 668 A C 2.488 180.083 177.584 0.018 0.000 1.197 668 A CA 1.943 53.993 52.037 0.023 0.000 0.637 668 A CB -1.169 17.846 19.000 0.024 0.000 0.827 668 A HN 0.446 nan 8.150 nan 0.000 0.450 669 I N -0.607 119.967 120.570 0.008 0.000 2.087 669 I HA -0.338 3.734 4.170 -0.164 0.000 0.240 669 I C 2.352 178.463 176.117 -0.009 0.000 1.054 669 I CA 2.151 63.449 61.300 -0.003 0.000 1.311 669 I CB -0.578 37.418 38.000 -0.006 0.000 1.024 669 I HN 0.404 nan 8.210 nan 0.000 0.402 670 D N 0.484 120.881 120.400 -0.006 0.000 2.158 670 D HA -0.207 4.334 4.640 -0.164 0.000 0.197 670 D C 2.346 178.650 176.300 0.007 0.000 0.995 670 D CA 1.263 55.259 54.000 -0.006 0.000 0.846 670 D CB 0.024 40.820 40.800 -0.006 0.000 0.941 670 D HN 0.081 nan 8.370 nan 0.000 0.456 671 R N -0.116 120.398 120.500 0.023 0.000 2.112 671 R HA -0.186 4.055 4.340 -0.164 0.000 0.242 671 R C 2.253 178.611 176.300 0.096 0.000 1.137 671 R CA 1.482 57.617 56.100 0.058 0.000 0.944 671 R CB -0.726 29.615 30.300 0.068 0.000 0.857 671 R HN 0.266 nan 8.270 nan 0.000 0.435 672 A N 1.295 124.144 122.820 0.048 0.000 1.898 672 A HA -0.150 4.072 4.320 -0.164 0.000 0.216 672 A C 1.998 179.474 177.584 -0.180 0.000 1.181 672 A CA 1.283 53.295 52.037 -0.041 0.000 0.620 672 A CB -0.242 18.706 19.000 -0.087 0.000 0.819 672 A HN 0.299 nan 8.150 nan 0.000 0.442 673 E N 0.443 120.581 120.200 -0.104 0.000 2.072 673 E HA -0.136 4.116 4.350 -0.164 0.000 0.190 673 E C 0.135 176.699 176.600 -0.059 0.000 0.982 673 E CA 0.654 56.988 56.400 -0.109 0.000 0.803 673 E CB -0.597 29.059 29.700 -0.073 0.000 0.755 673 E HN 0.685 nan 8.360 nan 0.000 0.453 674 D N 1.411 121.806 120.400 -0.009 0.000 2.389 674 D HA -0.054 4.488 4.640 -0.164 0.000 0.263 674 D C 1.476 177.829 176.300 0.088 0.000 1.255 674 D CA -0.108 53.907 54.000 0.024 0.000 0.914 674 D CB 0.628 41.436 40.800 0.013 0.000 1.116 674 D HN -0.047 nan 8.370 nan 0.000 0.502 675 R N 3.841 124.391 120.500 0.083 0.000 2.133 675 R HA -0.273 3.968 4.340 -0.164 0.000 0.245 675 R C 1.526 177.944 176.300 0.198 0.000 1.137 675 R CA 1.529 57.717 56.100 0.147 0.000 0.947 675 R CB -0.771 29.586 30.300 0.094 0.000 0.865 675 R HN 0.596 nan 8.270 nan 0.000 0.437 676 E N 0.326 120.599 120.200 0.121 0.000 2.046 676 E HA -0.049 4.203 4.350 -0.164 0.000 0.190 676 E C 2.354 178.972 176.600 0.030 0.000 0.982 676 E CA 0.519 56.981 56.400 0.103 0.000 0.800 676 E CB 0.116 29.815 29.700 -0.002 0.000 0.756 676 E HN 0.296 nan 8.360 nan 0.000 0.449 677 R N -0.199 120.291 120.500 -0.016 0.000 2.096 677 R HA -0.136 4.106 4.340 -0.164 0.000 0.235 677 R C 2.277 178.673 176.300 0.160 0.000 1.127 677 R CA 0.938 57.026 56.100 -0.020 0.000 0.968 677 R CB -0.412 29.893 30.300 0.010 0.000 0.861 677 R HN 0.220 nan 8.270 nan 0.000 0.440 678 F N 2.273 122.246 119.950 0.038 0.000 2.074 678 F HA -0.173 4.258 4.527 -0.161 0.000 0.293 678 F C 2.693 178.548 175.800 0.091 0.000 1.116 678 F CA 1.557 59.589 58.000 0.052 0.000 1.212 678 F CB -0.730 38.288 39.000 0.030 0.000 0.998 678 F HN -0.053 nan 8.300 nan 0.000 0.471 679 Q N -0.584 119.196 119.800 -0.032 0.000 2.118 679 Q HA -0.339 3.903 4.340 -0.164 0.000 0.211 679 Q C 2.150 178.078 176.000 -0.120 0.000 0.998 679 Q CA 2.471 58.186 55.803 -0.146 0.000 0.872 679 Q CB -0.465 28.306 28.738 0.056 0.000 0.925 679 Q HN 0.586 nan 8.270 nan 0.000 0.414 680 H N -0.420 118.587 119.070 -0.105 0.000 2.289 680 H HA -0.121 4.337 4.556 -0.164 0.000 0.296 680 H C 1.893 177.167 175.328 -0.091 0.000 1.091 680 H CA 1.985 57.992 56.048 -0.068 0.000 1.274 680 H CB -0.448 29.303 29.762 -0.018 0.000 1.364 680 H HN 0.479 nan 8.280 nan 0.000 0.490 681 A N 0.061 122.900 122.820 0.032 0.000 2.066 681 A HA -0.053 4.168 4.320 -0.164 0.000 0.218 681 A C 2.588 180.101 177.584 -0.118 0.000 1.157 681 A CA 1.157 53.185 52.037 -0.016 0.000 0.670 681 A CB -0.561 18.461 19.000 0.037 0.000 0.804 681 A HN 0.259 nan 8.150 nan 0.000 0.453 682 V N -0.235 119.508 119.914 -0.286 0.000 2.358 682 V HA -0.246 3.776 4.120 -0.164 0.000 0.246 682 V C 2.398 178.395 176.094 -0.163 0.000 1.047 682 V CA 2.239 64.352 62.300 -0.311 0.000 1.035 682 V CB -0.618 30.878 31.823 -0.546 0.000 0.658 682 V HN 0.657 nan 8.190 nan 0.000 0.452 683 E N -0.176 119.931 120.200 -0.156 0.000 2.070 683 E HA -0.310 3.942 4.350 -0.164 0.000 0.197 683 E C 2.422 178.976 176.600 -0.077 0.000 1.004 683 E CA 1.862 58.192 56.400 -0.117 0.000 0.805 683 E CB -0.205 29.407 29.700 -0.148 0.000 0.744 683 E HN 0.460 nan 8.360 nan 0.000 0.451 684 R N 0.437 120.903 120.500 -0.057 0.000 2.092 684 R HA -0.104 4.137 4.340 -0.164 0.000 0.231 684 R C 2.017 178.306 176.300 -0.017 0.000 1.119 684 R CA 1.047 57.131 56.100 -0.026 0.000 0.970 684 R CB -0.074 30.225 30.300 -0.001 0.000 0.864 684 R HN 0.193 nan 8.270 nan 0.000 0.440 685 L N 0.409 121.620 121.223 -0.021 0.000 2.509 685 L HA 0.118 4.360 4.340 -0.164 0.000 0.222 685 L C 0.047 176.909 176.870 -0.014 0.000 1.123 685 L CA 0.258 55.096 54.840 -0.004 0.000 0.856 685 L CB 0.076 42.141 42.059 0.011 0.000 0.985 685 L HN 0.116 nan 8.230 nan 0.000 0.456 686 K N 1.007 121.387 120.400 -0.033 0.000 3.851 686 K HA -0.118 4.104 4.320 -0.164 0.000 0.284 686 K C -1.046 175.532 176.600 -0.037 0.000 1.048 686 K CA 0.420 56.684 56.287 -0.038 0.000 0.862 686 K CB -1.399 31.083 32.500 -0.031 0.000 1.439 686 K HN 0.179 nan 8.250 nan 0.000 0.446 687 L N 0.103 121.299 121.223 -0.045 0.000 2.301 687 L HA 0.506 4.748 4.340 -0.164 0.000 0.264 687 L C 0.390 177.227 176.870 -0.055 0.000 1.016 687 L CA -1.280 53.539 54.840 -0.036 0.000 0.821 687 L CB 1.551 43.611 42.059 0.001 0.000 1.346 687 L HN 0.005 nan 8.230 nan 0.000 0.429 688 K N 2.286 122.647 120.400 -0.065 0.000 2.276 688 K HA 0.318 4.540 4.320 -0.164 0.000 0.285 688 K C -0.942 175.681 176.600 0.038 0.000 1.062 688 K CA -0.042 56.185 56.287 -0.099 0.000 0.918 688 K CB 1.544 33.832 32.500 -0.354 0.000 1.055 688 K HN 0.525 nan 8.250 nan 0.000 0.477 689 Q N 3.851 123.709 119.800 0.096 0.000 2.359 689 Q HA 0.414 4.656 4.340 -0.164 0.000 0.274 689 Q C -2.521 173.604 176.000 0.208 0.000 1.074 689 Q CA -1.939 53.958 55.803 0.157 0.000 0.810 689 Q CB 2.135 30.895 28.738 0.038 0.000 1.342 689 Q HN 0.250 nan 8.270 nan 0.000 0.427 690 P HA 0.118 nan 4.420 nan 0.000 0.269 690 P C -1.202 176.163 177.300 0.109 0.000 1.209 690 P CA -0.030 63.162 63.100 0.154 0.000 0.776 690 P CB 0.617 32.368 31.700 0.085 0.000 0.876 691 A N 3.078 125.952 122.820 0.091 0.000 2.520 691 A HA 0.316 4.538 4.320 -0.164 0.000 0.235 691 A C 0.456 178.072 177.584 0.052 0.000 1.065 691 A CA 0.352 52.417 52.037 0.047 0.000 0.764 691 A CB -0.729 18.272 19.000 0.001 0.000 1.002 691 A HN 0.811 nan 8.150 nan 0.000 0.502 692 N N -0.889 117.831 118.700 0.033 0.000 2.825 692 N HA 0.793 5.435 4.740 -0.164 0.000 0.253 692 N C -0.908 174.616 175.510 0.022 0.000 1.426 692 N CA -0.310 52.760 53.050 0.032 0.000 0.851 692 N CB 1.743 40.260 38.487 0.049 0.000 1.470 692 N HN 1.050 nan 8.380 nan 0.000 0.517 693 A N -0.533 122.302 122.820 0.025 0.000 2.599 693 A HA 0.775 4.997 4.320 -0.164 0.000 0.290 693 A C -1.553 176.053 177.584 0.037 0.000 1.101 693 A CA -0.727 51.325 52.037 0.026 0.000 0.674 693 A CB 1.531 20.541 19.000 0.016 0.000 1.277 693 A HN 0.603 nan 8.150 nan 0.000 0.419 694 T N 1.461 116.039 114.554 0.041 0.000 3.064 694 T HA 0.483 4.734 4.350 -0.164 0.000 0.367 694 T C -0.438 174.293 174.700 0.051 0.000 1.202 694 T CA -0.221 61.908 62.100 0.049 0.000 1.133 694 T CB 0.371 69.268 68.868 0.049 0.000 1.074 694 T HN 0.616 nan 8.240 nan 0.000 0.519 695 V N 2.861 122.815 119.914 0.067 0.000 2.834 695 V HA 0.329 4.351 4.120 -0.164 0.000 0.301 695 V C 1.215 177.355 176.094 0.077 0.000 1.066 695 V CA -0.159 62.183 62.300 0.071 0.000 1.052 695 V CB 1.374 33.254 31.823 0.096 0.000 1.021 695 V HN 0.908 nan 8.190 nan 0.000 0.480 696 T N 0.649 115.232 114.554 0.048 0.000 3.028 696 T HA 0.424 4.676 4.350 -0.164 0.000 0.250 696 T C 0.457 175.168 174.700 0.019 0.000 0.979 696 T CA 0.628 62.754 62.100 0.043 0.000 1.004 696 T CB 0.562 69.445 68.868 0.025 0.000 1.120 696 T HN 0.809 nan 8.240 nan 0.000 0.482 697 A N 0.463 123.268 122.820 -0.026 0.000 2.322 697 A HA 0.733 4.955 4.320 -0.164 0.000 0.327 697 A C 0.762 178.210 177.584 -0.227 0.000 1.134 697 A CA -0.618 51.366 52.037 -0.088 0.000 0.831 697 A CB 0.583 19.541 19.000 -0.069 0.000 1.288 697 A HN 0.062 nan 8.150 nan 0.000 0.472 698 I N 0.649 121.001 120.570 -0.363 0.000 2.076 698 I HA -0.189 3.883 4.170 -0.164 0.000 0.237 698 I C 2.164 178.035 176.117 -0.409 0.000 1.059 698 I CA 1.681 62.568 61.300 -0.689 0.000 1.317 698 I CB -0.551 37.134 38.000 -0.526 0.000 1.037 698 I HN 0.689 nan 8.210 nan 0.000 0.398 699 E N -0.070 120.001 120.200 -0.216 0.000 2.209 699 E HA -0.257 3.995 4.350 -0.164 0.000 0.196 699 E C 2.160 178.715 176.600 -0.075 0.000 0.993 699 E CA 1.092 57.425 56.400 -0.112 0.000 0.819 699 E CB -0.537 29.120 29.700 -0.071 0.000 0.745 699 E HN 0.537 nan 8.360 nan 0.000 0.477 700 M N 0.154 119.702 119.600 -0.087 0.000 2.059 700 M HA -0.156 4.225 4.480 -0.164 0.000 0.259 700 M C 2.233 178.519 176.300 -0.024 0.000 1.072 700 M CA 1.765 57.038 55.300 -0.046 0.000 1.117 700 M CB -0.140 32.434 32.600 -0.044 0.000 1.320 700 M HN 0.128 nan 8.290 nan 0.000 0.408 701 A N -0.251 122.548 122.820 -0.036 0.000 1.858 701 A HA -0.146 4.076 4.320 -0.164 0.000 0.216 701 A C 1.963 179.574 177.584 0.046 0.000 1.190 701 A CA 1.958 54.016 52.037 0.034 0.000 0.617 701 A CB -1.289 17.788 19.000 0.129 0.000 0.827 701 A HN 0.418 nan 8.150 nan 0.000 0.443 702 V N 0.341 120.276 119.914 0.035 0.000 2.428 702 V HA -0.321 3.701 4.120 -0.164 0.000 0.255 702 V C 2.507 178.651 176.094 0.083 0.000 1.080 702 V CA 2.671 65.026 62.300 0.093 0.000 1.083 702 V CB -0.938 30.923 31.823 0.063 0.000 0.665 702 V HN 0.788 nan 8.190 nan 0.000 0.461 703 E N 0.666 120.890 120.200 0.039 0.000 2.042 703 E HA -0.146 4.106 4.350 -0.164 0.000 0.189 703 E C 2.103 178.720 176.600 0.029 0.000 0.974 703 E CA 1.033 57.454 56.400 0.035 0.000 0.806 703 E CB -0.296 29.413 29.700 0.016 0.000 0.769 703 E HN 0.294 nan 8.360 nan 0.000 0.451 704 K N 0.466 120.875 120.400 0.016 0.000 2.160 704 K HA -0.031 4.191 4.320 -0.164 0.000 0.206 704 K C 1.788 178.377 176.600 -0.018 0.000 1.047 704 K CA 1.245 57.534 56.287 0.003 0.000 0.930 704 K CB -0.729 31.776 32.500 0.007 0.000 0.720 704 K HN 0.272 nan 8.250 nan 0.000 0.450 705 A N 0.579 123.385 122.820 -0.023 0.000 1.877 705 A HA -0.233 3.989 4.320 -0.164 0.000 0.216 705 A C 1.973 179.507 177.584 -0.083 0.000 1.186 705 A CA 2.041 54.000 52.037 -0.130 0.000 0.620 705 A CB -0.467 18.470 19.000 -0.106 0.000 0.822 705 A HN 0.267 nan 8.150 nan 0.000 0.443 706 K N -0.154 120.285 120.400 0.065 0.000 2.074 706 K HA -0.186 4.035 4.320 -0.164 0.000 0.209 706 K C 2.044 178.670 176.600 0.045 0.000 1.048 706 K CA 1.787 58.141 56.287 0.112 0.000 0.926 706 K CB -0.176 32.382 32.500 0.095 0.000 0.713 706 K HN 0.685 nan 8.250 nan 0.000 0.444 707 E N 0.317 120.524 120.200 0.011 0.000 2.000 707 E HA -0.215 4.037 4.350 -0.164 0.000 0.199 707 E C 2.004 178.582 176.600 -0.036 0.000 1.011 707 E CA 1.566 57.961 56.400 -0.009 0.000 0.836 707 E CB -0.144 29.550 29.700 -0.011 0.000 0.778 707 E HN 0.130 nan 8.360 nan 0.000 0.462 708 I N -0.010 120.527 120.570 -0.055 0.000 2.087 708 I HA -0.231 3.841 4.170 -0.164 0.000 0.240 708 I C 1.016 177.059 176.117 -0.123 0.000 1.054 708 I CA 1.686 62.940 61.300 -0.076 0.000 1.311 708 I CB -0.287 37.679 38.000 -0.058 0.000 1.024 708 I HN 0.440 nan 8.210 nan 0.000 0.402 709 G N -1.232 107.507 108.800 -0.101 0.000 3.367 709 G HA2 -0.157 3.705 3.960 -0.164 0.000 0.686 709 G HA3 -0.157 3.705 3.960 -0.164 0.000 0.686 709 G C -0.667 174.294 174.900 0.102 0.000 1.146 709 G CA -1.026 44.058 45.100 -0.025 0.000 0.913 709 G HN 0.071 nan 8.290 nan 0.000 0.554 710 Y N 2.183 122.568 120.300 0.142 0.000 2.550 710 Y HA 0.380 4.831 4.550 -0.165 0.000 0.343 710 Y C -0.836 175.203 175.900 0.232 0.000 1.245 710 Y CA -0.445 57.742 58.100 0.146 0.000 1.462 710 Y CB 0.234 38.759 38.460 0.108 0.000 1.340 710 Y HN 0.514 nan 8.280 nan 0.000 0.604 711 P HA 0.289 nan 4.420 nan 0.000 0.278 711 P C -1.208 176.045 177.300 -0.078 0.000 1.258 711 P CA -0.342 62.776 63.100 0.031 0.000 0.811 711 P CB 1.188 32.714 31.700 -0.289 0.000 1.063 712 L N 0.645 121.753 121.223 -0.191 0.000 2.323 712 L HA 0.470 4.712 4.340 -0.164 0.000 0.265 712 L C -0.558 176.163 176.870 -0.249 0.000 1.012 712 L CA -0.821 53.900 54.840 -0.197 0.000 0.820 712 L CB 2.156 44.056 42.059 -0.264 0.000 1.334 712 L HN 0.044 nan 8.230 nan 0.000 0.427 713 V N 2.770 122.579 119.914 -0.175 0.000 2.304 713 V HA 0.332 4.354 4.120 -0.164 0.000 0.278 713 V C -0.612 175.375 176.094 -0.179 0.000 1.018 713 V CA -0.704 61.488 62.300 -0.180 0.000 0.814 713 V CB 1.666 33.449 31.823 -0.067 0.000 1.021 713 V HN 0.421 nan 8.190 nan 0.000 0.440 714 V N 6.059 125.808 119.914 -0.276 0.000 2.322 714 V HA 0.426 4.448 4.120 -0.164 0.000 0.258 714 V C 0.472 176.452 176.094 -0.190 0.000 1.074 714 V CA -0.634 61.489 62.300 -0.295 0.000 0.909 714 V CB -0.088 31.373 31.823 -0.603 0.000 1.090 714 V HN 0.748 nan 8.190 nan 0.000 0.486 715 R N 4.689 125.135 120.500 -0.090 0.000 2.368 715 R HA 0.631 4.873 4.340 -0.164 0.000 0.302 715 R C -2.112 174.186 176.300 -0.003 0.000 1.002 715 R CA -1.068 55.009 56.100 -0.039 0.000 0.929 715 R CB 1.436 31.725 30.300 -0.017 0.000 1.073 715 R HN 0.541 nan 8.270 nan 0.000 0.464 725 M N 1.776 121.370 119.600 -0.010 0.000 2.336 725 M HA 0.591 4.973 4.480 -0.164 0.000 0.342 725 M C -0.152 176.103 176.300 -0.075 0.000 1.128 725 M CA -0.229 55.042 55.300 -0.048 0.000 1.016 725 M CB 1.911 34.487 32.600 -0.040 0.000 1.665 725 M HN 0.898 nan 8.290 nan 0.000 0.445 726 E N 2.862 122.958 120.200 -0.174 0.000 2.416 726 E HA 0.637 4.889 4.350 -0.164 0.000 0.273 726 E C -1.797 174.618 176.600 -0.308 0.000 0.935 726 E CA -0.625 55.651 56.400 -0.207 0.000 0.784 726 E CB 2.061 31.658 29.700 -0.172 0.000 1.301 726 E HN 0.647 nan 8.360 nan 0.000 0.454 727 I N 3.096 123.494 120.570 -0.287 0.000 2.411 727 I HA 0.309 4.380 4.170 -0.164 0.000 0.284 727 I C -0.919 175.002 176.117 -0.327 0.000 1.012 727 I CA -0.989 60.053 61.300 -0.431 0.000 1.119 727 I CB 1.658 39.252 38.000 -0.678 0.000 1.261 727 I HN 0.288 nan 8.210 nan 0.000 0.448 728 V N 6.339 126.068 119.914 -0.309 0.000 2.567 728 V HA 0.197 4.219 4.120 -0.164 0.000 0.289 728 V C -0.033 176.052 176.094 -0.014 0.000 1.049 728 V CA -0.108 62.149 62.300 -0.073 0.000 0.969 728 V CB 1.328 33.126 31.823 -0.042 0.000 0.995 728 V HN 0.592 nan 8.190 nan 0.000 0.471 729 Y N 0.903 121.291 120.300 0.147 0.000 2.535 729 Y HA 0.224 4.674 4.550 -0.167 0.000 0.266 729 Y C 0.629 176.599 175.900 0.117 0.000 1.088 729 Y CA -0.382 57.829 58.100 0.185 0.000 1.285 729 Y CB 0.527 39.026 38.460 0.066 0.000 1.166 729 Y HN 0.881 nan 8.280 nan 0.000 0.525 730 D N -2.090 118.318 120.400 0.014 0.000 2.583 730 D HA 0.123 4.665 4.640 -0.164 0.000 0.248 730 D C 0.566 176.611 176.300 -0.425 0.000 1.209 730 D CA -0.719 52.879 54.000 -0.670 0.000 0.848 730 D CB 0.605 41.194 40.800 -0.352 0.000 1.431 730 D HN -0.030 nan 8.370 nan 0.000 0.436 731 E N 0.249 120.114 120.200 -0.559 0.000 2.086 731 E HA -0.355 3.897 4.350 -0.164 0.000 0.205 731 E C 1.928 178.573 176.600 0.074 0.000 1.027 731 E CA 2.095 58.485 56.400 -0.018 0.000 0.830 731 E CB -0.315 29.377 29.700 -0.013 0.000 0.751 731 E HN 0.533 nan 8.360 nan 0.000 0.456 732 A N 1.238 124.061 122.820 0.005 0.000 1.881 732 A HA -0.317 3.905 4.320 -0.164 0.000 0.219 732 A C 1.976 179.619 177.584 0.098 0.000 1.215 732 A CA 2.389 54.451 52.037 0.042 0.000 0.648 732 A CB -1.118 17.885 19.000 0.005 0.000 0.832 732 A HN 0.390 nan 8.150 nan 0.000 0.455 733 D N -1.026 119.433 120.400 0.098 0.000 2.158 733 D HA -0.140 4.402 4.640 -0.164 0.000 0.197 733 D C 1.743 178.170 176.300 0.212 0.000 0.995 733 D CA 1.151 55.239 54.000 0.147 0.000 0.846 733 D CB -0.243 40.658 40.800 0.168 0.000 0.941 733 D HN 0.282 nan 8.370 nan 0.000 0.456 734 L N 1.209 122.598 121.223 0.278 0.000 1.994 734 L HA -0.142 4.100 4.340 -0.164 0.000 0.208 734 L C 2.101 179.278 176.870 0.512 0.000 1.071 734 L CA 1.704 56.768 54.840 0.373 0.000 0.745 734 L CB -0.644 41.693 42.059 0.463 0.000 0.892 734 L HN 0.014 nan 8.230 nan 0.000 0.431 735 R N -0.797 119.942 120.500 0.400 0.000 2.088 735 R HA -0.207 4.035 4.340 -0.164 0.000 0.232 735 R C 2.267 178.757 176.300 0.317 0.000 1.136 735 R CA 1.391 57.713 56.100 0.371 0.000 0.926 735 R CB -1.026 29.388 30.300 0.190 0.000 0.837 735 R HN 0.302 nan 8.270 nan 0.000 0.429 736 R N 0.383 121.006 120.500 0.205 0.000 2.227 736 R HA -0.307 3.935 4.340 -0.164 0.000 0.259 736 R C 2.250 178.634 176.300 0.140 0.000 1.139 736 R CA 2.471 58.656 56.100 0.141 0.000 0.969 736 R CB -0.640 29.732 30.300 0.119 0.000 0.903 736 R HN 0.425 nan 8.270 nan 0.000 0.452 737 Y N -0.166 120.154 120.300 0.034 0.000 2.109 737 Y HA -0.245 4.198 4.550 -0.180 0.000 0.285 737 Y C 2.061 177.906 175.900 -0.092 0.000 1.131 737 Y CA 1.990 60.042 58.100 -0.080 0.000 1.121 737 Y CB -0.707 37.621 38.460 -0.219 0.000 0.987 737 Y HN -0.004 nan 8.280 nan 0.000 0.495 738 F N 1.412 121.431 119.950 0.114 0.000 2.135 738 F HA -0.388 4.047 4.527 -0.152 0.000 0.300 738 F C 2.682 178.408 175.800 -0.124 0.000 1.074 738 F CA 2.222 60.219 58.000 -0.004 0.000 1.262 738 F CB -1.085 37.979 39.000 0.108 0.000 1.013 738 F HN 0.303 nan 8.300 nan 0.000 0.489 739 Q N 0.201 120.054 119.800 0.089 0.000 1.891 739 Q HA -0.255 3.987 4.340 -0.164 0.000 0.214 739 Q C 2.338 178.292 176.000 -0.076 0.000 0.995 739 Q CA 3.137 58.950 55.803 0.017 0.000 0.866 739 Q CB -0.571 28.182 28.738 0.025 0.000 0.931 739 Q HN 0.456 nan 8.270 nan 0.000 0.422 740 T N -0.894 113.582 114.554 -0.130 0.000 2.822 740 T HA -0.021 4.230 4.350 -0.164 0.000 0.270 740 T C 0.940 175.484 174.700 -0.260 0.000 1.064 740 T CA 0.619 62.621 62.100 -0.163 0.000 1.131 740 T CB -0.683 68.096 68.868 -0.148 0.000 0.858 740 T HN 0.508 nan 8.240 nan 0.000 0.483 751 L N 5.337 126.586 121.223 0.043 0.000 2.360 751 L HA 0.473 4.715 4.340 -0.164 0.000 0.276 751 L C -0.624 176.248 176.870 0.004 0.000 1.121 751 L CA 0.163 55.020 54.840 0.028 0.000 0.845 751 L CB 0.732 42.804 42.059 0.022 0.000 1.143 751 L HN 0.396 nan 8.230 nan 0.000 0.452 752 L N 3.848 125.076 121.223 0.008 0.000 2.341 752 L HA 0.539 4.781 4.340 -0.164 0.000 0.278 752 L C -0.750 176.114 176.870 -0.010 0.000 1.005 752 L CA -0.266 54.561 54.840 -0.020 0.000 0.818 752 L CB 1.703 43.754 42.059 -0.014 0.000 1.259 752 L HN 0.517 nan 8.230 nan 0.000 0.418 753 D N -0.693 119.693 120.400 -0.024 0.000 2.645 753 D HA 0.301 4.843 4.640 -0.164 0.000 0.228 753 D C -1.092 175.226 176.300 0.030 0.000 1.148 753 D CA -0.527 53.481 54.000 0.015 0.000 0.860 753 D CB 1.342 42.157 40.800 0.025 0.000 1.548 753 D HN 0.435 nan 8.370 nan 0.000 0.460 754 H N 0.983 120.027 119.070 -0.043 0.000 2.848 754 H HA 0.257 4.716 4.556 -0.161 0.000 0.317 754 H C -1.068 174.244 175.328 -0.028 0.000 1.046 754 H CA -0.226 55.789 56.048 -0.055 0.000 1.470 754 H CB 0.197 29.914 29.762 -0.075 0.000 1.483 754 H HN 0.232 nan 8.280 nan 0.000 0.548 755 F N 6.200 125.681 119.950 -0.783 0.000 2.424 755 F HA 0.225 4.658 4.527 -0.156 0.000 0.356 755 F C -0.618 174.703 175.800 -0.798 0.000 1.110 755 F CA -0.841 56.782 58.000 -0.628 0.000 1.161 755 F CB 0.393 39.120 39.000 -0.455 0.000 1.115 755 F HN 0.531 nan 8.300 nan 0.000 0.507 756 L N 6.455 126.941 121.223 -1.228 0.000 2.395 756 L HA 0.089 4.331 4.340 -0.164 0.000 0.268 756 L C 0.200 176.368 176.870 -1.169 0.000 1.223 756 L CA -0.273 53.974 54.840 -0.988 0.000 1.093 756 L CB -0.719 40.930 42.059 -0.684 0.000 1.349 756 L HN 0.608 nan 8.230 nan 0.000 0.427 757 D N 1.705 121.559 120.400 -0.909 0.000 2.364 757 D HA -0.072 4.470 4.640 -0.164 0.000 0.236 757 D C 0.364 176.508 176.300 -0.261 0.000 1.221 757 D CA 0.333 54.051 54.000 -0.471 0.000 0.891 757 D CB 0.624 41.385 40.800 -0.065 0.000 1.190 757 D HN 0.446 nan 8.370 nan 0.000 0.449 758 D N -0.596 119.750 120.400 -0.089 0.000 2.706 758 D HA -0.152 4.390 4.640 -0.164 0.000 0.230 758 D C -0.918 175.340 176.300 -0.071 0.000 1.184 758 D CA 1.063 55.041 54.000 -0.035 0.000 0.628 758 D CB -0.803 39.996 40.800 -0.001 0.000 1.019 758 D HN 0.403 nan 8.370 nan 0.000 0.415 759 A N -0.512 122.245 122.820 -0.105 0.000 2.354 759 A HA 0.764 4.986 4.320 -0.164 0.000 0.321 759 A C -0.151 177.411 177.584 -0.036 0.000 1.125 759 A CA -0.655 51.327 52.037 -0.092 0.000 0.799 759 A CB 1.693 20.590 19.000 -0.172 0.000 1.293 759 A HN 0.107 nan 8.150 nan 0.000 0.452 760 V N 1.293 121.191 119.914 -0.028 0.000 2.427 760 V HA 0.315 4.337 4.120 -0.164 0.000 0.286 760 V C 0.273 176.352 176.094 -0.025 0.000 1.034 760 V CA -0.355 61.937 62.300 -0.013 0.000 0.893 760 V CB 1.326 33.126 31.823 -0.037 0.000 0.982 760 V HN 0.982 nan 8.190 nan 0.000 0.452 761 E N 3.463 123.631 120.200 -0.053 0.000 2.249 761 E HA 0.618 4.870 4.350 -0.164 0.000 0.280 761 E C -1.451 174.889 176.600 -0.434 0.000 1.016 761 E CA -0.367 55.901 56.400 -0.219 0.000 0.830 761 E CB 1.701 31.274 29.700 -0.213 0.000 1.081 761 E HN 0.473 nan 8.360 nan 0.000 0.395 762 V N 4.013 123.757 119.914 -0.282 0.000 2.789 762 V HA 0.333 4.355 4.120 -0.164 0.000 0.311 762 V C -0.701 175.362 176.094 -0.052 0.000 1.073 762 V CA -0.898 61.311 62.300 -0.151 0.000 0.921 762 V CB 2.182 34.050 31.823 0.076 0.000 1.009 762 V HN 0.763 nan 8.190 nan 0.000 0.426 763 D N 1.784 122.215 120.400 0.052 0.000 2.362 763 D HA 0.648 5.190 4.640 -0.164 0.000 0.247 763 D C -1.402 174.994 176.300 0.160 0.000 1.050 763 D CA -0.099 53.982 54.000 0.134 0.000 0.839 763 D CB 2.664 43.597 40.800 0.221 0.000 1.283 763 D HN 0.281 nan 8.370 nan 0.000 0.477 764 V N 3.025 123.025 119.914 0.143 0.000 2.525 764 V HA 0.240 4.262 4.120 -0.164 0.000 0.299 764 V C -0.641 175.509 176.094 0.092 0.000 1.034 764 V CA -0.908 61.478 62.300 0.143 0.000 0.863 764 V CB 2.193 34.140 31.823 0.206 0.000 0.999 764 V HN 0.411 nan 8.190 nan 0.000 0.423 765 D N 3.532 123.980 120.400 0.079 0.000 2.168 765 D HA 0.843 5.385 4.640 -0.164 0.000 0.246 765 D C 0.008 176.331 176.300 0.039 0.000 1.050 765 D CA 0.119 54.150 54.000 0.051 0.000 0.857 765 D CB 2.373 43.200 40.800 0.044 0.000 1.169 765 D HN 0.817 nan 8.370 nan 0.000 0.453 766 A N 1.792 124.627 122.820 0.025 0.000 2.568 766 A HA 0.798 5.020 4.320 -0.164 0.000 0.291 766 A C -1.331 176.258 177.584 0.007 0.000 1.159 766 A CA -0.646 51.399 52.037 0.014 0.000 0.679 766 A CB 1.165 20.169 19.000 0.007 0.000 1.285 766 A HN 0.478 nan 8.150 nan 0.000 0.428 767 I N -0.237 120.332 120.570 -0.000 0.000 2.608 767 I HA 0.576 4.648 4.170 -0.164 0.000 0.295 767 I C -0.776 175.325 176.117 -0.027 0.000 1.049 767 I CA -0.601 60.702 61.300 0.004 0.000 1.063 767 I CB 1.912 39.928 38.000 0.027 0.000 1.248 767 I HN 0.687 nan 8.210 nan 0.000 0.424 768 C N 4.457 123.734 119.300 -0.038 0.000 2.609 768 C HA 0.539 4.901 4.460 -0.164 0.000 0.313 768 C C -0.389 174.597 174.990 -0.006 0.000 1.175 768 C CA -0.406 58.568 59.018 -0.075 0.000 1.434 768 C CB 1.302 28.910 27.740 -0.219 0.000 2.005 768 C HN 0.948 nan 8.230 nan 0.000 0.471 769 D N 1.701 122.126 120.400 0.043 0.000 2.571 769 D HA 0.342 4.884 4.640 -0.164 0.000 0.239 769 D C 1.289 177.656 176.300 0.113 0.000 1.267 769 D CA 0.506 54.547 54.000 0.068 0.000 0.823 769 D CB 0.054 40.892 40.800 0.063 0.000 1.056 769 D HN 1.473 nan 8.370 nan 0.000 0.494 770 G N 0.626 109.531 108.800 0.176 0.000 2.320 770 G HA2 -0.418 3.444 3.960 -0.164 0.000 0.242 770 G HA3 -0.418 3.444 3.960 -0.164 0.000 0.242 770 G C 1.013 176.100 174.900 0.313 0.000 1.033 770 G CA 0.506 45.761 45.100 0.258 0.000 0.620 770 G HN 0.432 nan 8.290 nan 0.000 0.517 771 E N -0.230 120.116 120.200 0.244 0.000 2.065 771 E HA 0.393 4.645 4.350 -0.164 0.000 0.191 771 E C 1.612 178.373 176.600 0.269 0.000 0.960 771 E CA 1.014 57.518 56.400 0.173 0.000 0.824 771 E CB 0.048 29.811 29.700 0.105 0.000 0.793 771 E HN 0.733 nan 8.360 nan 0.000 0.459 772 M N -1.010 118.756 119.600 0.278 0.000 2.719 772 M HA 0.576 4.957 4.480 -0.164 0.000 0.291 772 M C -1.455 174.952 176.300 0.179 0.000 1.264 772 M CA -0.859 54.621 55.300 0.300 0.000 0.811 772 M CB 2.400 35.095 32.600 0.158 0.000 1.756 772 M HN -0.259 nan 8.290 nan 0.000 0.464 773 V N 2.399 122.381 119.914 0.114 0.000 2.483 773 V HA 0.510 4.531 4.120 -0.164 0.000 0.297 773 V C -1.227 174.873 176.094 0.010 0.000 1.027 773 V CA -0.679 61.599 62.300 -0.037 0.000 0.855 773 V CB 1.781 33.493 31.823 -0.185 0.000 0.995 773 V HN 0.759 nan 8.190 nan 0.000 0.424 774 L N 6.697 127.920 121.223 0.000 0.000 2.276 774 L HA 0.601 4.843 4.340 -0.164 0.000 0.286 774 L C -0.376 176.498 176.870 0.006 0.000 1.024 774 L CA -0.090 54.756 54.840 0.010 0.000 0.826 774 L CB 0.862 42.930 42.059 0.015 0.000 1.211 774 L HN 0.419 nan 8.230 nan 0.000 0.422 775 I N 5.488 126.064 120.570 0.010 0.000 2.581 775 I HA 0.085 4.156 4.170 -0.164 0.000 0.285 775 I C 1.471 177.595 176.117 0.012 0.000 1.129 775 I CA 0.577 61.886 61.300 0.015 0.000 1.397 775 I CB 0.468 38.479 38.000 0.018 0.000 1.399 775 I HN 0.882 nan 8.210 nan 0.000 0.537 776 G N 5.374 114.185 108.800 0.017 0.000 2.411 776 G HA2 0.293 4.155 3.960 -0.164 0.000 0.213 776 G HA3 0.293 4.155 3.960 -0.164 0.000 0.213 776 G C 0.634 175.540 174.900 0.010 0.000 1.166 776 G CA 0.635 45.742 45.100 0.011 0.000 0.802 776 G HN 0.811 nan 8.290 nan 0.000 0.533 777 G N -0.746 108.074 108.800 0.034 0.000 2.633 777 G HA2 0.445 4.307 3.960 -0.164 0.000 0.299 777 G HA3 0.445 4.307 3.960 -0.164 0.000 0.299 777 G C -1.526 173.428 174.900 0.090 0.000 1.501 777 G CA -0.825 44.305 45.100 0.050 0.000 0.887 777 G HN 0.131 nan 8.290 nan 0.000 0.561 778 I N 1.917 122.544 120.570 0.095 0.000 2.355 778 I HA 0.429 4.501 4.170 -0.164 0.000 0.288 778 I C -0.079 176.138 176.117 0.166 0.000 0.999 778 I CA -0.443 60.927 61.300 0.117 0.000 1.163 778 I CB 1.765 39.814 38.000 0.081 0.000 1.316 778 I HN 0.245 nan 8.210 nan 0.000 0.454 779 M N 5.747 125.468 119.600 0.201 0.000 2.383 779 M HA 0.328 4.710 4.480 -0.164 0.000 0.325 779 M C -0.377 176.070 176.300 0.245 0.000 1.092 779 M CA -0.422 55.040 55.300 0.270 0.000 0.961 779 M CB 2.215 35.005 32.600 0.316 0.000 1.672 779 M HN 0.432 nan 8.290 nan 0.000 0.438 780 E N 3.018 123.396 120.200 0.298 0.000 2.113 780 E HA 0.257 4.509 4.350 -0.164 0.000 0.273 780 E C -1.070 175.778 176.600 0.413 0.000 0.924 780 E CA -0.480 56.082 56.400 0.270 0.000 0.764 780 E CB 0.741 30.594 29.700 0.255 0.000 1.104 780 E HN 0.665 nan 8.360 nan 0.000 0.406 781 H N 3.473 122.667 119.070 0.207 0.000 2.790 781 H HA 0.017 4.475 4.556 -0.164 0.000 0.358 781 H C 0.822 176.311 175.328 0.268 0.000 1.103 781 H CA -0.632 55.535 56.048 0.198 0.000 1.426 781 H CB 1.160 31.005 29.762 0.139 0.000 1.424 781 H HN 0.582 nan 8.280 nan 0.000 0.599 782 I N 1.251 122.051 120.570 0.384 0.000 2.193 782 I HA -0.136 3.936 4.170 -0.164 0.000 0.240 782 I C 0.670 176.960 176.117 0.289 0.000 1.084 782 I CA 1.161 62.670 61.300 0.348 0.000 1.365 782 I CB -0.032 38.145 38.000 0.294 0.000 1.064 782 I HN 0.609 nan 8.210 nan 0.000 0.410 783 E N 1.799 122.150 120.200 0.251 0.000 2.373 783 E HA 0.053 4.305 4.350 -0.164 0.000 0.267 783 E C 0.133 176.870 176.600 0.228 0.000 1.032 783 E CA -0.342 56.187 56.400 0.215 0.000 0.889 783 E CB 0.271 30.079 29.700 0.181 0.000 0.984 783 E HN 0.132 nan 8.360 nan 0.000 0.425 784 Q N 1.446 121.359 119.800 0.189 0.000 2.651 784 Q HA 0.165 4.407 4.340 -0.164 0.000 0.224 784 Q C -0.359 175.750 176.000 0.181 0.000 1.094 784 Q CA -0.372 55.527 55.803 0.159 0.000 1.018 784 Q CB 0.221 29.041 28.738 0.137 0.000 1.292 784 Q HN 0.468 nan 8.270 nan 0.000 0.588 785 A N -0.627 122.268 122.820 0.125 0.000 2.477 785 A HA 0.488 4.710 4.320 -0.164 0.000 0.246 785 A C 1.062 178.813 177.584 0.278 0.000 1.078 785 A CA 0.604 52.721 52.037 0.132 0.000 0.770 785 A CB -0.541 18.461 19.000 0.004 0.000 1.011 785 A HN 1.380 nan 8.150 nan 0.000 0.494 786 G N 0.638 109.621 108.800 0.306 0.000 2.284 786 G HA2 -0.107 3.755 3.960 -0.164 0.000 0.201 786 G HA3 -0.107 3.755 3.960 -0.164 0.000 0.201 786 G C 0.001 174.994 174.900 0.156 0.000 0.998 786 G CA 0.033 45.316 45.100 0.306 0.000 0.651 786 G HN 1.378 nan 8.290 nan 0.000 0.489 787 V N 3.442 123.462 119.914 0.176 0.000 2.311 787 V HA 0.400 4.422 4.120 -0.164 0.000 0.275 787 V C 0.794 176.986 176.094 0.163 0.000 1.022 787 V CA -1.070 61.327 62.300 0.162 0.000 0.830 787 V CB 1.096 33.015 31.823 0.160 0.000 1.012 787 V HN 0.434 nan 8.190 nan 0.000 0.452 788 H N 3.660 122.774 119.070 0.073 0.000 3.193 788 H HA -0.122 4.345 4.556 -0.148 0.000 0.306 788 H C 1.711 177.058 175.328 0.032 0.000 0.960 788 H CA 1.233 57.314 56.048 0.054 0.000 1.375 788 H CB 1.036 30.813 29.762 0.025 0.000 1.321 788 H HN 0.868 nan 8.280 nan 0.000 0.578 789 S N 2.908 118.470 115.700 -0.229 0.000 2.400 789 S HA -0.134 4.238 4.470 -0.164 0.000 0.232 789 S C 2.237 176.822 174.600 -0.025 0.000 1.025 789 S CA 1.064 59.195 58.200 -0.114 0.000 0.993 789 S CB -0.474 62.758 63.200 0.053 0.000 0.808 789 S HN 0.737 nan 8.310 nan 0.000 0.478 790 G N 0.580 109.618 108.800 0.396 0.000 2.559 790 G HA2 -0.026 3.836 3.960 -0.164 0.000 0.216 790 G HA3 -0.026 3.836 3.960 -0.164 0.000 0.216 790 G C 0.744 175.689 174.900 0.075 0.000 1.126 790 G CA 0.789 46.029 45.100 0.234 0.000 0.778 790 G HN 0.599 nan 8.290 nan 0.000 0.543 791 D N -0.271 120.185 120.400 0.093 0.000 2.431 791 D HA 0.159 4.701 4.640 -0.164 0.000 0.213 791 D C 0.498 176.796 176.300 -0.004 0.000 1.130 791 D CA 0.019 54.037 54.000 0.029 0.000 0.834 791 D CB 0.769 41.605 40.800 0.061 0.000 0.985 791 D HN 0.068 nan 8.370 nan 0.000 0.504 792 S N 0.725 116.372 115.700 -0.087 0.000 2.562 792 S HA 0.633 5.005 4.470 -0.164 0.000 0.275 792 S C 0.396 174.917 174.600 -0.132 0.000 1.281 792 S CA -0.739 57.388 58.200 -0.121 0.000 1.045 792 S CB 1.946 64.954 63.200 -0.320 0.000 0.962 792 S HN 0.237 nan 8.310 nan 0.000 0.503 793 A N 1.069 123.883 122.820 -0.009 0.000 2.313 793 A HA 0.678 4.900 4.320 -0.164 0.000 0.261 793 A C 0.346 177.945 177.584 0.025 0.000 1.090 793 A CA -0.540 51.493 52.037 -0.006 0.000 0.807 793 A CB -0.305 18.778 19.000 0.139 0.000 1.055 793 A HN 1.308 nan 8.150 nan 0.000 0.492 794 C N -1.018 118.283 119.300 0.003 0.000 3.239 794 C HA 0.851 5.213 4.460 -0.164 0.000 0.317 794 C C -0.390 174.711 174.990 0.184 0.000 1.310 794 C CA -0.479 58.614 59.018 0.125 0.000 1.371 794 C CB 0.923 28.726 27.740 0.104 0.000 1.714 794 C HN 1.047 nan 8.230 nan 0.000 0.473 795 S N 0.729 116.640 115.700 0.352 0.000 2.500 795 S HA 0.813 5.185 4.470 -0.164 0.000 0.301 795 S C -1.355 173.540 174.600 0.491 0.000 1.092 795 S CA -0.505 57.975 58.200 0.466 0.000 1.030 795 S CB 1.154 64.686 63.200 0.554 0.000 1.031 795 S HN 0.914 nan 8.310 nan 0.000 0.483 796 L N 6.575 128.115 121.223 0.528 0.000 2.406 796 L HA 0.578 4.819 4.340 -0.164 0.000 0.270 796 L C -2.483 174.541 176.870 0.257 0.000 0.982 796 L CA -2.043 53.014 54.840 0.361 0.000 0.843 796 L CB 2.315 44.534 42.059 0.267 0.000 1.225 796 L HN 0.489 nan 8.230 nan 0.000 0.412 797 P HA 0.265 nan 4.420 nan 0.000 0.280 797 P C -0.599 176.931 177.300 0.383 0.000 1.272 797 P CA -0.459 62.736 63.100 0.157 0.000 0.819 797 P CB 0.849 32.541 31.700 -0.014 0.000 1.122 798 A N 0.746 123.741 122.820 0.291 0.000 2.615 798 A HA -0.030 4.191 4.320 -0.164 0.000 0.230 798 A C 0.576 178.400 177.584 0.400 0.000 1.062 798 A CA 0.808 53.028 52.037 0.305 0.000 0.758 798 A CB -0.978 18.104 19.000 0.136 0.000 0.995 798 A HN 0.805 nan 8.150 nan 0.000 0.511 799 Y N -1.334 119.007 120.300 0.069 0.000 2.432 799 Y HA 0.293 4.744 4.550 -0.165 0.000 0.252 799 Y C 1.462 177.251 175.900 -0.184 0.000 1.097 799 Y CA 0.604 58.642 58.100 -0.104 0.000 1.250 799 Y CB 0.157 38.279 38.460 -0.563 0.000 1.245 799 Y HN 0.655 nan 8.280 nan 0.000 0.522 800 T N -2.120 112.061 114.554 -0.621 0.000 3.010 800 T HA 0.300 4.552 4.350 -0.164 0.000 0.252 800 T C 0.347 174.884 174.700 -0.272 0.000 0.963 800 T CA -0.218 61.579 62.100 -0.505 0.000 0.952 800 T CB -0.611 67.864 68.868 -0.655 0.000 1.182 800 T HN 0.133 nan 8.240 nan 0.000 0.495 801 L N 4.188 125.282 121.223 -0.214 0.000 2.525 801 L HA 0.265 4.507 4.340 -0.164 0.000 0.278 801 L C 1.007 177.825 176.870 -0.087 0.000 1.218 801 L CA -0.358 54.407 54.840 -0.125 0.000 0.878 801 L CB 0.447 42.456 42.059 -0.084 0.000 1.127 801 L HN 0.509 nan 8.230 nan 0.000 0.492 802 S N 2.039 117.689 115.700 -0.082 0.000 2.592 802 S HA 0.044 4.416 4.470 -0.164 0.000 0.271 802 S C 0.625 175.191 174.600 -0.057 0.000 1.326 802 S CA -0.583 57.578 58.200 -0.066 0.000 1.024 802 S CB 1.677 64.838 63.200 -0.066 0.000 0.921 802 S HN 0.665 nan 8.310 nan 0.000 0.527 803 Q N 1.139 120.912 119.800 -0.045 0.000 2.084 803 Q HA -0.182 4.060 4.340 -0.164 0.000 0.202 803 Q C 2.094 178.063 176.000 -0.051 0.000 0.978 803 Q CA 2.396 58.174 55.803 -0.042 0.000 0.844 803 Q CB -0.462 28.256 28.738 -0.034 0.000 0.898 803 Q HN 0.975 nan 8.270 nan 0.000 0.426 804 E N -0.348 119.820 120.200 -0.053 0.000 2.085 804 E HA -0.231 4.021 4.350 -0.164 0.000 0.194 804 E C 1.981 178.536 176.600 -0.075 0.000 0.994 804 E CA 1.394 57.759 56.400 -0.057 0.000 0.801 804 E CB -0.329 29.339 29.700 -0.053 0.000 0.743 804 E HN 0.573 nan 8.360 nan 0.000 0.453 805 I N 0.535 121.056 120.570 -0.082 0.000 2.286 805 I HA -0.273 3.799 4.170 -0.164 0.000 0.245 805 I C 2.487 178.524 176.117 -0.135 0.000 1.104 805 I CA 1.151 62.386 61.300 -0.108 0.000 1.397 805 I CB -0.085 37.855 38.000 -0.100 0.000 1.072 805 I HN 0.274 nan 8.210 nan 0.000 0.417 806 Q N 0.258 119.995 119.800 -0.105 0.000 2.096 806 Q HA -0.257 3.985 4.340 -0.164 0.000 0.204 806 Q C 1.667 177.602 176.000 -0.108 0.000 0.982 806 Q CA 1.762 57.503 55.803 -0.102 0.000 0.850 806 Q CB -0.231 28.473 28.738 -0.057 0.000 0.901 806 Q HN 0.563 nan 8.270 nan 0.000 0.422 807 D N 0.079 120.428 120.400 -0.086 0.000 2.178 807 D HA -0.122 4.420 4.640 -0.164 0.000 0.201 807 D C 1.995 178.241 176.300 -0.089 0.000 0.980 807 D CA 1.095 55.053 54.000 -0.071 0.000 0.842 807 D CB 0.095 40.864 40.800 -0.052 0.000 0.948 807 D HN 0.119 nan 8.370 nan 0.000 0.472 808 V N 1.250 121.089 119.914 -0.124 0.000 2.323 808 V HA -0.216 3.806 4.120 -0.164 0.000 0.244 808 V C 2.637 178.606 176.094 -0.208 0.000 1.041 808 V CA 1.146 63.360 62.300 -0.143 0.000 1.025 808 V CB -0.451 31.276 31.823 -0.160 0.000 0.656 808 V HN 0.148 nan 8.190 nan 0.000 0.451 809 M N -0.475 118.917 119.600 -0.346 0.000 2.106 809 M HA -0.257 4.125 4.480 -0.164 0.000 0.259 809 M C 2.497 178.662 176.300 -0.224 0.000 1.068 809 M CA 1.960 56.899 55.300 -0.602 0.000 1.100 809 M CB -0.536 31.613 32.600 -0.751 0.000 1.351 809 M HN 0.176 nan 8.290 nan 0.000 0.404 810 R N -0.127 120.299 120.500 -0.124 0.000 2.105 810 R HA -0.174 4.068 4.340 -0.164 0.000 0.239 810 R C 2.230 178.533 176.300 0.005 0.000 1.135 810 R CA 1.601 57.685 56.100 -0.027 0.000 0.967 810 R CB -0.142 30.142 30.300 -0.026 0.000 0.861 810 R HN 0.480 nan 8.270 nan 0.000 0.442 811 Q N -0.225 119.565 119.800 -0.017 0.000 2.046 811 Q HA -0.221 4.021 4.340 -0.164 0.000 0.200 811 Q C 2.164 178.199 176.000 0.058 0.000 0.975 811 Q CA 1.577 57.392 55.803 0.020 0.000 0.836 811 Q CB 0.042 28.781 28.738 0.002 0.000 0.896 811 Q HN 0.405 nan 8.270 nan 0.000 0.428 812 Q N -0.329 119.502 119.800 0.052 0.000 2.045 812 Q HA -0.202 4.040 4.340 -0.164 0.000 0.206 812 Q C 2.177 178.288 176.000 0.185 0.000 0.991 812 Q CA 1.938 57.823 55.803 0.137 0.000 0.851 812 Q CB -0.167 28.684 28.738 0.188 0.000 0.911 812 Q HN 0.203 nan 8.270 nan 0.000 0.418 813 V N 0.771 120.814 119.914 0.215 0.000 2.231 813 V HA -0.394 3.628 4.120 -0.164 0.000 0.250 813 V C 2.343 178.467 176.094 0.051 0.000 1.058 813 V CA 2.455 64.851 62.300 0.160 0.000 1.022 813 V CB -0.776 31.136 31.823 0.147 0.000 0.640 813 V HN 0.498 nan 8.190 nan 0.000 0.445 814 Q N -0.205 119.621 119.800 0.043 0.000 2.014 814 Q HA -0.315 3.926 4.340 -0.164 0.000 0.207 814 Q C 2.314 178.368 176.000 0.089 0.000 0.993 814 Q CA 2.400 58.207 55.803 0.006 0.000 0.850 814 Q CB -0.147 28.674 28.738 0.138 0.000 0.916 814 Q HN 0.616 nan 8.270 nan 0.000 0.417 815 K N 0.033 120.537 120.400 0.175 0.000 2.074 815 K HA -0.192 4.030 4.320 -0.164 0.000 0.209 815 K C 2.092 178.794 176.600 0.170 0.000 1.048 815 K CA 1.747 58.166 56.287 0.220 0.000 0.926 815 K CB -0.235 32.352 32.500 0.144 0.000 0.713 815 K HN 0.219 nan 8.250 nan 0.000 0.444 816 L N 0.283 121.566 121.223 0.100 0.000 2.017 816 L HA -0.205 4.037 4.340 -0.164 0.000 0.208 816 L C 2.517 179.398 176.870 0.018 0.000 1.073 816 L CA 1.402 56.290 54.840 0.080 0.000 0.745 816 L CB -0.637 41.476 42.059 0.090 0.000 0.894 816 L HN 0.211 nan 8.230 nan 0.000 0.432 817 A N -0.343 122.412 122.820 -0.108 0.000 1.986 817 A HA -0.227 3.995 4.320 -0.164 0.000 0.220 817 A C 1.987 179.392 177.584 -0.299 0.000 1.171 817 A CA 1.973 53.842 52.037 -0.281 0.000 0.640 817 A CB -0.712 17.965 19.000 -0.537 0.000 0.811 817 A HN 0.372 nan 8.150 nan 0.000 0.451 818 F N -1.153 118.825 119.950 0.048 0.000 2.374 818 F HA 0.128 4.557 4.527 -0.162 0.000 0.291 818 F C 2.226 178.050 175.800 0.039 0.000 1.084 818 F CA 0.948 58.971 58.000 0.039 0.000 1.413 818 F CB -0.548 38.471 39.000 0.032 0.000 1.099 818 F HN 0.227 nan 8.300 nan 0.000 0.534 819 E N 1.242 121.581 120.200 0.231 0.000 2.058 819 E HA -0.166 4.086 4.350 -0.164 0.000 0.194 819 E C 1.940 178.609 176.600 0.116 0.000 0.997 819 E CA 1.568 58.059 56.400 0.151 0.000 0.801 819 E CB -0.587 29.185 29.700 0.120 0.000 0.746 819 E HN 0.407 nan 8.360 nan 0.000 0.450 820 L N 0.059 121.340 121.223 0.097 0.000 2.465 820 L HA -0.022 4.220 4.340 -0.164 0.000 0.224 820 L C 0.421 177.330 176.870 0.065 0.000 1.145 820 L CA 0.589 55.475 54.840 0.078 0.000 0.834 820 L CB -0.242 41.858 42.059 0.070 0.000 0.944 820 L HN 0.175 nan 8.230 nan 0.000 0.451 821 Q N -0.970 118.877 119.800 0.079 0.000 2.493 821 Q HA -0.135 4.106 4.340 -0.164 0.000 0.278 821 Q C -0.306 175.722 176.000 0.047 0.000 1.198 821 Q CA 0.238 56.090 55.803 0.081 0.000 0.880 821 Q CB -2.397 26.384 28.738 0.070 0.000 1.260 821 Q HN 0.263 nan 8.270 nan 0.000 0.470 822 V N 1.893 121.814 119.914 0.012 0.000 2.540 822 V HA 0.085 4.107 4.120 -0.164 0.000 0.297 822 V C 0.992 177.086 176.094 -0.001 0.000 1.024 822 V CA 0.688 62.983 62.300 -0.009 0.000 1.105 822 V CB 0.616 32.409 31.823 -0.050 0.000 0.938 822 V HN 0.154 nan 8.190 nan 0.000 0.482 823 R N 4.104 124.613 120.500 0.015 0.000 2.521 823 R HA 0.604 4.846 4.340 -0.164 0.000 0.295 823 R C 0.375 176.692 176.300 0.028 0.000 1.183 823 R CA 0.359 56.472 56.100 0.021 0.000 0.957 823 R CB 1.384 31.698 30.300 0.023 0.000 1.171 823 R HN 1.071 nan 8.270 nan 0.000 0.494 824 G N 1.916 110.740 108.800 0.039 0.000 2.395 824 G HA2 -0.184 3.677 3.960 -0.164 0.000 0.201 824 G HA3 -0.184 3.677 3.960 -0.164 0.000 0.201 824 G C -0.925 174.026 174.900 0.085 0.000 1.206 824 G CA -0.890 44.257 45.100 0.077 0.000 1.210 824 G HN 0.322 nan 8.290 nan 0.000 0.557 825 L N 1.687 122.992 121.223 0.138 0.000 2.439 825 L HA 0.790 5.032 4.340 -0.164 0.000 0.261 825 L C 0.925 177.831 176.870 0.059 0.000 1.153 825 L CA -0.151 54.745 54.840 0.093 0.000 0.808 825 L CB 1.213 43.327 42.059 0.091 0.000 1.126 825 L HN 0.924 nan 8.230 nan 0.000 0.460 826 M N 1.406 121.024 119.600 0.031 0.000 2.534 826 M HA 0.457 4.839 4.480 -0.164 0.000 0.280 826 M C -1.847 174.460 176.300 0.012 0.000 1.217 826 M CA -0.743 54.566 55.300 0.015 0.000 0.893 826 M CB 2.387 34.984 32.600 -0.006 0.000 1.730 826 M HN 0.513 nan 8.290 nan 0.000 0.483 827 N N 1.622 120.323 118.700 0.001 0.000 2.260 827 N HA 0.683 5.325 4.740 -0.164 0.000 0.293 827 N C -2.298 173.186 175.510 -0.044 0.000 1.058 827 N CA -0.296 52.754 53.050 -0.001 0.000 0.824 827 N CB 2.931 41.427 38.487 0.015 0.000 1.551 827 N HN 0.670 nan 8.380 nan 0.000 0.475 828 V N 2.329 122.207 119.914 -0.059 0.000 2.604 828 V HA 0.436 4.458 4.120 -0.164 0.000 0.305 828 V C -0.518 175.412 176.094 -0.273 0.000 1.043 828 V CA -0.753 61.428 62.300 -0.198 0.000 0.888 828 V CB 1.774 33.462 31.823 -0.225 0.000 0.995 828 V HN 0.614 nan 8.190 nan 0.000 0.429 829 Q N 3.330 122.888 119.800 -0.403 0.000 2.333 829 Q HA 0.676 4.918 4.340 -0.164 0.000 0.268 829 Q C -1.639 174.081 176.000 -0.468 0.000 1.007 829 Q CA -0.250 55.367 55.803 -0.310 0.000 0.810 829 Q CB 2.333 30.982 28.738 -0.148 0.000 1.264 829 Q HN 0.648 nan 8.270 nan 0.000 0.452 830 F N 0.617 120.560 119.950 -0.012 0.000 2.575 830 F HA 0.807 5.237 4.527 -0.161 0.000 0.330 830 F C -0.037 175.751 175.800 -0.020 0.000 1.056 830 F CA -1.018 56.988 58.000 0.009 0.000 0.964 830 F CB 1.696 40.700 39.000 0.007 0.000 1.258 830 F HN 0.498 nan 8.300 nan 0.000 0.484 831 A N 0.863 123.851 122.820 0.278 0.000 2.371 831 A HA 0.809 5.031 4.320 -0.164 0.000 0.311 831 A C -1.772 175.926 177.584 0.190 0.000 1.068 831 A CA -0.680 51.439 52.037 0.137 0.000 0.744 831 A CB 1.448 20.466 19.000 0.030 0.000 1.239 831 A HN 0.505 nan 8.150 nan 0.000 0.435 832 V N 2.736 122.706 119.914 0.093 0.000 2.376 832 V HA 0.438 4.460 4.120 -0.164 0.000 0.287 832 V C -0.047 176.081 176.094 0.058 0.000 1.015 832 V CA -0.464 61.893 62.300 0.094 0.000 0.834 832 V CB 1.279 33.112 31.823 0.017 0.000 1.001 832 V HN 0.883 nan 8.190 nan 0.000 0.428 833 K N 3.537 124.014 120.400 0.128 0.000 2.270 833 K HA 0.452 4.674 4.320 -0.164 0.000 0.255 833 K C 0.264 176.927 176.600 0.106 0.000 0.936 833 K CA -0.644 55.681 56.287 0.063 0.000 0.809 833 K CB 0.906 33.388 32.500 -0.030 0.000 1.131 833 K HN 0.786 nan 8.250 nan 0.000 0.427 834 N N 3.873 122.597 118.700 0.041 0.000 2.689 834 N HA -0.302 4.340 4.740 -0.164 0.000 0.263 834 N C -0.489 175.037 175.510 0.025 0.000 0.987 834 N CA 0.573 53.642 53.050 0.030 0.000 0.782 834 N CB -0.913 37.600 38.487 0.043 0.000 0.903 834 N HN 0.854 nan 8.380 nan 0.000 0.547 835 N N -0.911 117.791 118.700 0.003 0.000 2.681 835 N HA -0.223 4.419 4.740 -0.164 0.000 0.250 835 N C -1.175 174.321 175.510 -0.023 0.000 1.133 835 N CA 1.491 54.530 53.050 -0.018 0.000 0.732 835 N CB -0.181 38.288 38.487 -0.031 0.000 1.107 835 N HN 0.667 nan 8.380 nan 0.000 0.559 836 E N -0.034 120.177 120.200 0.018 0.000 2.238 836 E HA 0.369 4.621 4.350 -0.164 0.000 0.267 836 E C -0.512 176.069 176.600 -0.032 0.000 0.887 836 E CA -0.754 55.614 56.400 -0.055 0.000 0.769 836 E CB 2.482 32.141 29.700 -0.069 0.000 1.187 836 E HN -0.073 nan 8.360 nan 0.000 0.416 837 V N 3.976 123.791 119.914 -0.167 0.000 2.364 837 V HA 0.261 4.283 4.120 -0.164 0.000 0.272 837 V C -0.842 175.208 176.094 -0.074 0.000 1.036 837 V CA -0.352 61.905 62.300 -0.071 0.000 0.880 837 V CB -0.184 31.534 31.823 -0.174 0.000 0.991 837 V HN 0.529 nan 8.190 nan 0.000 0.460 838 Y N 4.128 124.511 120.300 0.138 0.000 2.528 838 Y HA 0.634 5.086 4.550 -0.162 0.000 0.335 838 Y C -0.143 175.914 175.900 0.262 0.000 1.093 838 Y CA -1.139 57.051 58.100 0.150 0.000 1.134 838 Y CB 1.775 40.278 38.460 0.072 0.000 1.253 838 Y HN 0.398 nan 8.280 nan 0.000 0.478 839 L N 2.795 124.212 121.223 0.323 0.000 2.265 839 L HA 0.390 4.632 4.340 -0.164 0.000 0.289 839 L C 0.140 177.093 176.870 0.138 0.000 1.033 839 L CA 0.361 55.298 54.840 0.163 0.000 0.814 839 L CB 0.428 42.586 42.059 0.165 0.000 1.203 839 L HN 0.748 nan 8.230 nan 0.000 0.423 840 I N 2.554 123.133 120.570 0.015 0.000 2.296 840 I HA 0.038 4.110 4.170 -0.164 0.000 0.242 840 I C 0.375 176.494 176.117 0.002 0.000 1.087 840 I CA 0.551 61.858 61.300 0.013 0.000 1.393 840 I CB 0.233 38.208 38.000 -0.042 0.000 1.093 840 I HN 0.729 nan 8.210 nan 0.000 0.421 841 E N -0.728 119.407 120.200 -0.108 0.000 2.389 841 E HA 0.365 4.617 4.350 -0.164 0.000 0.281 841 E C -1.715 174.710 176.600 -0.291 0.000 1.111 841 E CA -0.743 55.490 56.400 -0.278 0.000 0.869 841 E CB 1.807 31.341 29.700 -0.277 0.000 1.259 841 E HN -0.200 nan 8.360 nan 0.000 0.434 842 V N 2.170 121.831 119.914 -0.420 0.000 2.487 842 V HA 0.471 4.493 4.120 -0.164 0.000 0.298 842 V C -0.910 175.054 176.094 -0.217 0.000 1.028 842 V CA -0.909 61.243 62.300 -0.247 0.000 0.860 842 V CB 1.657 33.414 31.823 -0.111 0.000 0.991 842 V HN 0.612 nan 8.190 nan 0.000 0.427 843 N N 6.179 124.805 118.700 -0.123 0.000 2.518 843 N HA 0.356 4.998 4.740 -0.164 0.000 0.254 843 N C -2.674 172.816 175.510 -0.033 0.000 0.979 843 N CA -1.370 51.634 53.050 -0.075 0.000 0.930 843 N CB 2.418 40.883 38.487 -0.037 0.000 1.152 843 N HN 0.341 nan 8.380 nan 0.000 0.505 844 P HA 0.099 nan 4.420 nan 0.000 0.237 844 P C -0.387 176.932 177.300 0.032 0.000 1.723 844 P CA 0.247 63.347 63.100 0.001 0.000 0.882 844 P CB -0.114 31.584 31.700 -0.003 0.000 1.810 845 R N -1.931 118.599 120.500 0.051 0.000 2.829 845 R HA 0.763 5.005 4.340 -0.164 0.000 0.267 845 R C -1.104 175.255 176.300 0.099 0.000 1.051 845 R CA -1.234 54.926 56.100 0.100 0.000 0.927 845 R CB 0.189 30.547 30.300 0.096 0.000 1.292 845 R HN -0.158 nan 8.270 nan 0.000 0.445 846 A N 0.561 123.450 122.820 0.114 0.000 2.488 846 A HA 0.596 4.818 4.320 -0.164 0.000 0.249 846 A C 0.004 177.652 177.584 0.106 0.000 1.083 846 A CA 0.206 52.238 52.037 -0.009 0.000 0.768 846 A CB -0.016 18.812 19.000 -0.287 0.000 1.017 846 A HN 0.777 nan 8.150 nan 0.000 0.496 847 A N 2.208 125.047 122.820 0.032 0.000 2.320 847 A HA 0.586 4.808 4.320 -0.164 0.000 0.334 847 A C 1.279 178.775 177.584 -0.148 0.000 1.147 847 A CA -0.348 51.727 52.037 0.063 0.000 0.820 847 A CB 0.493 19.521 19.000 0.047 0.000 1.218 847 A HN 1.082 nan 8.150 nan 0.000 0.482 848 R N 0.136 120.501 120.500 -0.224 0.000 2.249 848 R HA -0.140 4.102 4.340 -0.164 0.000 0.230 848 R C 0.887 177.021 176.300 -0.277 0.000 1.121 848 R CA 2.158 57.959 56.100 -0.497 0.000 0.997 848 R CB -1.057 29.017 30.300 -0.377 0.000 0.867 848 R HN 0.662 nan 8.270 nan 0.000 0.465 849 T N -0.926 113.556 114.554 -0.121 0.000 2.985 849 T HA 0.056 4.308 4.350 -0.164 0.000 0.266 849 T C 2.006 176.703 174.700 -0.005 0.000 1.076 849 T CA 0.660 62.750 62.100 -0.018 0.000 1.135 849 T CB -0.234 68.672 68.868 0.064 0.000 0.890 849 T HN 0.046 nan 8.240 nan 0.000 0.480 850 V N 2.959 122.822 119.914 -0.086 0.000 2.277 850 V HA -0.182 3.840 4.120 -0.164 0.000 0.253 850 V C -0.179 175.840 176.094 -0.126 0.000 1.067 850 V CA 2.143 64.390 62.300 -0.088 0.000 1.047 850 V CB -1.685 30.068 31.823 -0.116 0.000 0.649 850 V HN 0.401 nan 8.190 nan 0.000 0.447 851 P HA -0.156 nan 4.420 nan 0.000 0.217 851 P C 1.710 178.847 177.300 -0.271 0.000 1.150 851 P CA 1.466 64.241 63.100 -0.541 0.000 0.832 851 P CB -0.145 30.910 31.700 -1.074 0.000 0.787 852 F N 0.255 120.062 119.950 -0.238 0.000 2.146 852 F HA -0.155 4.276 4.527 -0.160 0.000 0.298 852 F C 1.936 177.711 175.800 -0.041 0.000 1.096 852 F CA 1.209 59.135 58.000 -0.123 0.000 1.275 852 F CB -0.773 38.172 39.000 -0.092 0.000 1.008 852 F HN -0.330 nan 8.300 nan 0.000 0.480 853 V N 0.039 119.864 119.914 -0.149 0.000 2.255 853 V HA -0.315 3.707 4.120 -0.164 0.000 0.247 853 V C 2.519 178.512 176.094 -0.169 0.000 1.051 853 V CA 2.208 64.391 62.300 -0.196 0.000 1.018 853 V CB -1.078 30.737 31.823 -0.015 0.000 0.641 853 V HN 0.408 nan 8.190 nan 0.000 0.445 854 S N -0.729 114.923 115.700 -0.079 0.000 2.387 854 S HA -0.285 4.087 4.470 -0.164 0.000 0.230 854 S C 2.044 176.657 174.600 0.023 0.000 1.035 854 S CA 1.942 60.145 58.200 0.004 0.000 1.014 854 S CB -0.306 62.965 63.200 0.118 0.000 0.836 854 S HN 0.432 nan 8.310 nan 0.000 0.466 855 K N 1.336 121.720 120.400 -0.027 0.000 2.076 855 K HA 0.263 4.485 4.320 -0.164 0.000 0.204 855 K C 2.112 178.773 176.600 0.102 0.000 1.051 855 K CA 0.991 57.316 56.287 0.063 0.000 0.949 855 K CB -0.608 31.869 32.500 -0.039 0.000 0.726 855 K HN 0.263 nan 8.250 nan 0.000 0.443 856 A N -0.037 122.689 122.820 -0.157 0.000 1.873 856 A HA -0.147 4.075 4.320 -0.164 0.000 0.215 856 A C 2.148 179.752 177.584 0.033 0.000 1.186 856 A CA 2.328 54.306 52.037 -0.099 0.000 0.616 856 A CB -1.082 17.635 19.000 -0.472 0.000 0.823 856 A HN 0.481 nan 8.150 nan 0.000 0.442 857 T N -4.782 109.715 114.554 -0.096 0.000 3.081 857 T HA 0.383 4.635 4.350 -0.164 0.000 0.255 857 T C 1.489 176.023 174.700 -0.276 0.000 1.113 857 T CA 1.146 63.160 62.100 -0.143 0.000 1.082 857 T CB 0.091 68.885 68.868 -0.122 0.000 0.939 857 T HN 1.732 nan 8.240 nan 0.000 0.506 858 G N 0.650 109.190 108.800 -0.434 0.000 2.179 858 G HA2 -0.228 3.633 3.960 -0.164 0.000 0.260 858 G HA3 -0.228 3.633 3.960 -0.164 0.000 0.260 858 G C 0.050 174.780 174.900 -0.284 0.000 0.977 858 G CA 0.079 44.653 45.100 -0.878 0.000 0.641 858 G HN 0.783 nan 8.290 nan 0.000 0.533 859 V N 2.251 122.082 119.914 -0.138 0.000 2.347 859 V HA 0.462 4.483 4.120 -0.164 0.000 0.280 859 V C -1.666 174.446 176.094 0.031 0.000 1.021 859 V CA -1.499 60.772 62.300 -0.048 0.000 0.847 859 V CB 1.728 33.526 31.823 -0.042 0.000 0.990 859 V HN 0.151 nan 8.190 nan 0.000 0.444 860 P HA 0.153 nan 4.420 nan 0.000 0.241 860 P C 1.067 178.452 177.300 0.141 0.000 1.760 860 P CA 0.035 63.228 63.100 0.155 0.000 1.081 860 P CB 0.204 31.941 31.700 0.061 0.000 1.975 861 L N 1.259 122.555 121.223 0.122 0.000 2.089 861 L HA -0.269 3.973 4.340 -0.164 0.000 0.213 861 L C 2.481 179.423 176.870 0.119 0.000 1.079 861 L CA 1.935 56.829 54.840 0.090 0.000 0.758 861 L CB -1.023 41.068 42.059 0.053 0.000 0.891 861 L HN 0.198 nan 8.230 nan 0.000 0.433 862 A N 0.175 123.096 122.820 0.167 0.000 1.898 862 A HA -0.195 4.027 4.320 -0.164 0.000 0.216 862 A C 2.349 180.102 177.584 0.283 0.000 1.181 862 A CA 1.580 53.722 52.037 0.175 0.000 0.620 862 A CB -0.284 18.819 19.000 0.173 0.000 0.819 862 A HN 0.353 nan 8.150 nan 0.000 0.442 863 K N -0.300 120.222 120.400 0.204 0.000 2.026 863 K HA -0.078 4.144 4.320 -0.164 0.000 0.208 863 K C 1.921 178.579 176.600 0.097 0.000 1.048 863 K CA 1.480 57.833 56.287 0.109 0.000 0.929 863 K CB -0.514 31.986 32.500 0.001 0.000 0.713 863 K HN 0.316 nan 8.250 nan 0.000 0.439 864 V N 1.738 121.706 119.914 0.091 0.000 2.233 864 V HA -0.273 3.749 4.120 -0.164 0.000 0.247 864 V C 2.442 178.589 176.094 0.089 0.000 1.050 864 V CA 2.180 64.524 62.300 0.073 0.000 1.010 864 V CB -0.871 30.987 31.823 0.058 0.000 0.637 864 V HN 0.382 nan 8.190 nan 0.000 0.444 865 A N -0.259 122.640 122.820 0.132 0.000 2.019 865 A HA -0.033 4.189 4.320 -0.164 0.000 0.219 865 A C 2.371 180.031 177.584 0.127 0.000 1.164 865 A CA 1.888 54.012 52.037 0.145 0.000 0.644 865 A CB -0.660 18.462 19.000 0.203 0.000 0.805 865 A HN 0.587 nan 8.150 nan 0.000 0.449 866 A N 0.237 123.148 122.820 0.152 0.000 1.835 866 A HA -0.185 4.037 4.320 -0.164 0.000 0.215 866 A C 2.199 179.761 177.584 -0.036 0.000 1.199 866 A CA 1.642 53.691 52.037 0.020 0.000 0.615 866 A CB -0.576 18.458 19.000 0.056 0.000 0.838 866 A HN 0.513 nan 8.150 nan 0.000 0.444 867 R N -0.792 119.711 120.500 0.005 0.000 2.117 867 R HA -0.132 4.110 4.340 -0.164 0.000 0.243 867 R C 2.015 178.320 176.300 0.009 0.000 1.143 867 R CA 1.519 57.623 56.100 0.008 0.000 0.968 867 R CB -0.661 29.662 30.300 0.038 0.000 0.863 867 R HN 0.398 nan 8.270 nan 0.000 0.444 868 V N 1.021 120.948 119.914 0.022 0.000 2.295 868 V HA -0.301 3.721 4.120 -0.164 0.000 0.246 868 V C 2.332 178.427 176.094 0.002 0.000 1.049 868 V CA 1.861 64.175 62.300 0.023 0.000 1.024 868 V CB -0.364 31.481 31.823 0.037 0.000 0.648 868 V HN 0.364 nan 8.190 nan 0.000 0.447 869 M N -0.543 119.044 119.600 -0.023 0.000 2.144 869 M HA -0.229 4.153 4.480 -0.164 0.000 0.260 869 M C 2.313 178.566 176.300 -0.079 0.000 1.067 869 M CA 2.187 57.453 55.300 -0.058 0.000 1.095 869 M CB -0.540 31.995 32.600 -0.108 0.000 1.365 869 M HN 0.456 nan 8.290 nan 0.000 0.406 870 A N -0.713 122.043 122.820 -0.107 0.000 1.873 870 A HA 0.044 4.266 4.320 -0.164 0.000 0.215 870 A C 1.917 179.492 177.584 -0.014 0.000 1.186 870 A CA 1.963 53.919 52.037 -0.135 0.000 0.616 870 A CB -0.601 18.222 19.000 -0.294 0.000 0.823 870 A HN 0.613 nan 8.150 nan 0.000 0.442 871 G N -2.209 106.603 108.800 0.021 0.000 4.106 871 G HA2 0.050 3.911 3.960 -0.164 0.000 0.220 871 G HA3 0.050 3.911 3.960 -0.164 0.000 0.220 871 G C 0.079 175.010 174.900 0.051 0.000 0.853 871 G CA 0.189 45.315 45.100 0.044 0.000 0.920 871 G HN 0.411 nan 8.290 nan 0.000 0.715 872 K N 2.737 123.169 120.400 0.052 0.000 2.257 872 K HA 0.519 4.740 4.320 -0.164 0.000 0.270 872 K C 1.167 177.792 176.600 0.042 0.000 1.098 872 K CA 0.164 56.482 56.287 0.051 0.000 0.943 872 K CB 0.393 32.930 32.500 0.061 0.000 1.316 872 K HN 0.347 nan 8.250 nan 0.000 0.447 873 S N 3.217 118.941 115.700 0.040 0.000 2.550 873 S HA -0.075 4.296 4.470 -0.164 0.000 0.285 873 S C 1.350 175.973 174.600 0.039 0.000 1.326 873 S CA -0.215 58.010 58.200 0.041 0.000 1.037 873 S CB 0.421 63.645 63.200 0.041 0.000 0.838 873 S HN 0.631 nan 8.310 nan 0.000 0.519 874 L N 2.265 123.512 121.223 0.041 0.000 2.083 874 L HA -0.074 4.168 4.340 -0.164 0.000 0.209 874 L C 3.057 179.945 176.870 0.031 0.000 1.083 874 L CA 1.539 56.401 54.840 0.036 0.000 0.752 874 L CB -1.290 40.792 42.059 0.037 0.000 0.899 874 L HN 0.950 nan 8.230 nan 0.000 0.433 875 A N 0.283 123.123 122.820 0.033 0.000 1.849 875 A HA -0.312 3.910 4.320 -0.164 0.000 0.217 875 A C 2.185 179.783 177.584 0.024 0.000 1.202 875 A CA 2.193 54.247 52.037 0.028 0.000 0.629 875 A CB -0.802 18.215 19.000 0.029 0.000 0.834 875 A HN 0.431 nan 8.150 nan 0.000 0.447 876 E N -0.525 119.691 120.200 0.026 0.000 2.147 876 E HA -0.289 3.963 4.350 -0.164 0.000 0.199 876 E C 2.278 178.892 176.600 0.023 0.000 1.005 876 E CA 1.863 58.278 56.400 0.025 0.000 0.810 876 E CB -0.176 29.541 29.700 0.029 0.000 0.736 876 E HN 0.830 nan 8.360 nan 0.000 0.460 877 Q N -1.448 118.367 119.800 0.025 0.000 2.269 877 Q HA 0.074 4.315 4.340 -0.164 0.000 0.201 877 Q C 1.113 177.123 176.000 0.017 0.000 0.946 877 Q CA 0.625 56.441 55.803 0.023 0.000 0.877 877 Q CB 0.618 29.372 28.738 0.026 0.000 0.963 877 Q HN 0.317 nan 8.270 nan 0.000 0.472 878 G N 0.775 109.584 108.800 0.016 0.000 2.255 878 G HA2 -0.174 3.688 3.960 -0.164 0.000 0.239 878 G HA3 -0.174 3.688 3.960 -0.164 0.000 0.239 878 G C -0.330 174.575 174.900 0.008 0.000 1.083 878 G CA -0.026 45.080 45.100 0.011 0.000 0.826 878 G HN 0.177 nan 8.290 nan 0.000 0.493 879 V N 0.121 120.042 119.914 0.011 0.000 2.501 879 V HA 0.652 4.673 4.120 -0.164 0.000 0.277 879 V C 0.615 176.717 176.094 0.013 0.000 1.004 879 V CA 0.210 62.515 62.300 0.008 0.000 0.862 879 V CB 0.881 32.711 31.823 0.010 0.000 1.035 879 V HN 0.792 nan 8.190 nan 0.000 0.448 880 T N -0.859 113.701 114.554 0.010 0.000 2.992 880 T HA 0.259 4.511 4.350 -0.164 0.000 0.255 880 T C 0.417 175.124 174.700 0.011 0.000 0.938 880 T CA -0.310 61.800 62.100 0.016 0.000 0.895 880 T CB 0.551 69.430 68.868 0.018 0.000 1.221 880 T HN 0.372 nan 8.240 nan 0.000 0.512 881 K N 2.750 123.151 120.400 0.001 0.000 2.185 881 K HA 0.422 4.644 4.320 -0.164 0.000 0.269 881 K C -0.290 176.303 176.600 -0.013 0.000 0.987 881 K CA -0.368 55.916 56.287 -0.005 0.000 0.865 881 K CB 2.428 34.922 32.500 -0.010 0.000 1.090 881 K HN 0.473 nan 8.250 nan 0.000 0.450 882 E N 2.438 122.630 120.200 -0.012 0.000 2.415 882 E HA 0.032 4.284 4.350 -0.164 0.000 0.263 882 E C -0.812 175.766 176.600 -0.037 0.000 0.995 882 E CA -0.312 56.076 56.400 -0.020 0.000 0.915 882 E CB 0.692 30.384 29.700 -0.014 0.000 0.951 882 E HN 0.161 nan 8.360 nan 0.000 0.449 883 V N 6.640 126.524 119.914 -0.050 0.000 2.465 883 V HA 0.241 4.263 4.120 -0.164 0.000 0.279 883 V C 0.284 176.321 176.094 -0.095 0.000 1.045 883 V CA -0.476 61.779 62.300 -0.076 0.000 0.938 883 V CB 1.203 32.969 31.823 -0.095 0.000 0.986 883 V HN 0.645 nan 8.190 nan 0.000 0.467 884 I N 7.000 127.501 120.570 -0.115 0.000 2.420 884 I HA 0.360 4.432 4.170 -0.164 0.000 0.282 884 I C -2.199 173.785 176.117 -0.222 0.000 1.019 884 I CA -1.685 59.527 61.300 -0.147 0.000 1.130 884 I CB 2.040 39.970 38.000 -0.115 0.000 1.262 884 I HN 0.454 nan 8.210 nan 0.000 0.454 885 P HA 0.240 nan 4.420 nan 0.000 0.272 885 P C -2.242 174.712 177.300 -0.576 0.000 1.240 885 P CA -1.099 61.667 63.100 -0.557 0.000 0.791 885 P CB 0.002 31.162 31.700 -0.901 0.000 0.978 886 P HA 0.148 nan 4.420 nan 0.000 0.261 886 P C -0.809 176.331 177.300 -0.266 0.000 1.352 886 P CA 0.245 63.135 63.100 -0.351 0.000 0.891 886 P CB -0.153 31.464 31.700 -0.140 0.000 1.383 887 Y N -3.451 116.805 120.300 -0.075 0.000 2.644 887 Y HA 0.625 5.077 4.550 -0.164 0.000 0.338 887 Y C -0.808 175.058 175.900 -0.057 0.000 1.119 887 Y CA -2.086 56.000 58.100 -0.023 0.000 1.060 887 Y CB 0.329 38.807 38.460 0.032 0.000 1.294 887 Y HN -0.356 nan 8.280 nan 0.000 0.472 888 Y N 0.747 121.234 120.300 0.313 0.000 2.310 888 Y HA 0.587 5.038 4.550 -0.164 0.000 0.326 888 Y C -0.046 176.038 175.900 0.308 0.000 1.151 888 Y CA -0.036 58.222 58.100 0.263 0.000 1.195 888 Y CB 1.962 40.564 38.460 0.238 0.000 1.210 888 Y HN 0.622 nan 8.280 nan 0.000 0.483 889 S N 2.323 118.302 115.700 0.465 0.000 2.605 889 S HA 0.612 4.984 4.470 -0.164 0.000 0.308 889 S C -1.216 173.717 174.600 0.556 0.000 1.113 889 S CA -0.711 57.735 58.200 0.410 0.000 1.049 889 S CB 1.127 64.458 63.200 0.219 0.000 1.001 889 S HN 0.328 nan 8.310 nan 0.000 0.480 890 V N 4.305 124.446 119.914 0.379 0.000 2.487 890 V HA 0.483 4.505 4.120 -0.164 0.000 0.298 890 V C -0.065 176.030 176.094 0.001 0.000 1.028 890 V CA -0.802 61.604 62.300 0.177 0.000 0.860 890 V CB 1.819 33.618 31.823 -0.039 0.000 0.991 890 V HN 0.720 nan 8.190 nan 0.000 0.427 891 K N 3.671 123.876 120.400 -0.325 0.000 2.213 891 K HA 0.579 4.801 4.320 -0.164 0.000 0.270 891 K C -0.887 175.517 176.600 -0.326 0.000 1.002 891 K CA -0.373 55.598 56.287 -0.527 0.000 0.868 891 K CB 1.669 33.487 32.500 -1.136 0.000 1.093 891 K HN 0.695 nan 8.250 nan 0.000 0.454 892 E N 2.852 122.889 120.200 -0.272 0.000 2.256 892 E HA 0.320 4.572 4.350 -0.164 0.000 0.267 892 E C -1.212 175.283 176.600 -0.176 0.000 0.892 892 E CA -0.860 55.401 56.400 -0.230 0.000 0.775 892 E CB 1.751 31.274 29.700 -0.295 0.000 1.207 892 E HN 0.403 nan 8.360 nan 0.000 0.420 893 V N 0.736 120.572 119.914 -0.131 0.000 3.093 893 V HA 0.855 4.877 4.120 -0.164 0.000 0.320 893 V C -0.301 175.741 176.094 -0.086 0.000 1.093 893 V CA -0.773 61.463 62.300 -0.106 0.000 1.016 893 V CB 1.572 33.340 31.823 -0.091 0.000 1.096 893 V HN 0.498 nan 8.190 nan 0.000 0.452 894 V N 0.584 120.449 119.914 -0.082 0.000 2.495 894 V HA 0.731 4.753 4.120 -0.164 0.000 0.298 894 V C -0.513 175.519 176.094 -0.104 0.000 1.031 894 V CA -0.623 61.631 62.300 -0.077 0.000 0.871 894 V CB 0.877 32.661 31.823 -0.066 0.000 0.988 894 V HN 0.843 nan 8.190 nan 0.000 0.432 895 L N 5.860 127.002 121.223 -0.136 0.000 2.325 895 L HA 0.619 4.861 4.340 -0.164 0.000 0.278 895 L C -1.550 175.153 176.870 -0.279 0.000 1.023 895 L CA -1.403 53.260 54.840 -0.295 0.000 0.811 895 L CB 2.476 44.239 42.059 -0.494 0.000 1.249 895 L HN 0.471 nan 8.230 nan 0.000 0.431 896 P HA 0.059 nan 4.420 nan 0.000 0.257 896 P C 1.208 178.437 177.300 -0.117 0.000 1.325 896 P CA 0.092 63.069 63.100 -0.204 0.000 0.850 896 P CB 0.111 31.734 31.700 -0.128 0.000 1.324 897 F N 2.864 122.869 119.950 0.091 0.000 2.147 897 F HA -0.236 4.179 4.527 -0.187 0.000 0.301 897 F C 2.185 177.988 175.800 0.004 0.000 1.084 897 F CA 1.558 59.630 58.000 0.120 0.000 1.268 897 F CB -1.928 37.166 39.000 0.157 0.000 1.009 897 F HN 0.153 nan 8.300 nan 0.000 0.486 898 N N 0.571 119.342 118.700 0.118 0.000 2.519 898 N HA -0.187 4.455 4.740 -0.164 0.000 0.186 898 N C 1.123 176.543 175.510 -0.150 0.000 1.062 898 N CA 1.037 54.089 53.050 0.002 0.000 0.910 898 N CB -0.402 38.082 38.487 -0.006 0.000 0.958 898 N HN 0.235 nan 8.380 nan 0.000 0.445 899 K N -0.368 119.819 120.400 -0.355 0.000 2.379 899 K HA 0.108 4.330 4.320 -0.164 0.000 0.194 899 K C -0.370 175.753 176.600 -0.796 0.000 1.031 899 K CA 0.174 56.054 56.287 -0.677 0.000 1.037 899 K CB 0.214 32.033 32.500 -1.135 0.000 0.824 899 K HN 0.218 nan 8.250 nan 0.000 0.516 900 F N 1.105 121.034 119.950 -0.036 0.000 2.710 900 F HA 0.280 4.735 4.527 -0.120 0.000 0.345 900 F C -1.880 173.957 175.800 0.061 0.000 1.362 900 F CA -2.587 55.416 58.000 0.005 0.000 1.175 900 F CB 1.293 40.258 39.000 -0.059 0.000 1.561 900 F HN -0.170 nan 8.300 nan 0.000 0.593 901 P HA -0.145 nan 4.420 nan 0.000 0.217 901 P C 1.730 179.089 177.300 0.098 0.000 1.148 901 P CA 1.376 64.533 63.100 0.096 0.000 0.828 901 P CB 0.235 31.956 31.700 0.035 0.000 0.783 902 G N -0.777 108.099 108.800 0.127 0.000 2.956 902 G HA2 0.095 3.956 3.960 -0.164 0.000 0.207 902 G HA3 0.095 3.956 3.960 -0.164 0.000 0.207 902 G C 0.276 175.238 174.900 0.103 0.000 1.162 902 G CA -0.001 45.156 45.100 0.095 0.000 0.796 902 G HN 0.202 nan 8.290 nan 0.000 0.527 903 V N 0.549 120.551 119.914 0.147 0.000 2.532 903 V HA 0.219 4.240 4.120 -0.164 0.000 0.295 903 V C -0.478 175.614 176.094 -0.002 0.000 1.041 903 V CA -1.141 61.245 62.300 0.142 0.000 0.926 903 V CB 1.975 34.005 31.823 0.344 0.000 0.992 903 V HN 0.100 nan 8.190 nan 0.000 0.457 904 D N 6.276 126.632 120.400 -0.072 0.000 2.346 904 D HA 0.167 4.709 4.640 -0.164 0.000 0.260 904 D C -2.142 173.892 176.300 -0.443 0.000 1.252 904 D CA -1.786 52.107 54.000 -0.179 0.000 0.895 904 D CB 1.399 42.130 40.800 -0.116 0.000 1.097 904 D HN 0.258 nan 8.370 nan 0.000 0.489 905 P HA 0.163 nan 4.420 nan 0.000 0.237 905 P C -0.793 176.117 177.300 -0.650 0.000 1.788 905 P CA -0.487 61.826 63.100 -1.312 0.000 1.061 905 P CB -0.063 31.363 31.700 -0.458 0.000 1.967 906 L N 2.451 123.360 121.223 -0.523 0.000 2.381 906 L HA 0.434 4.676 4.340 -0.164 0.000 0.268 906 L C -0.715 176.213 176.870 0.098 0.000 0.997 906 L CA -1.161 53.628 54.840 -0.085 0.000 0.818 906 L CB 1.688 43.696 42.059 -0.085 0.000 1.310 906 L HN -0.002 nan 8.230 nan 0.000 0.416 907 L N 3.792 125.114 121.223 0.164 0.000 2.439 907 L HA 0.875 5.117 4.340 -0.164 0.000 0.261 907 L C 0.741 177.689 176.870 0.130 0.000 1.153 907 L CA 0.091 55.045 54.840 0.190 0.000 0.808 907 L CB 0.781 42.946 42.059 0.177 0.000 1.126 907 L HN 0.823 nan 8.230 nan 0.000 0.460 908 G N 0.114 108.992 108.800 0.129 0.000 2.490 908 G HA2 0.337 4.199 3.960 -0.164 0.000 0.308 908 G HA3 0.337 4.199 3.960 -0.164 0.000 0.308 908 G C -2.673 172.291 174.900 0.106 0.000 1.286 908 G CA -0.352 44.801 45.100 0.087 0.000 0.825 908 G HN 0.301 nan 8.290 nan 0.000 0.479 909 P HA 0.021 nan 4.420 nan 0.000 0.226 909 P C 0.383 177.795 177.300 0.186 0.000 1.153 909 P CA 0.943 64.104 63.100 0.101 0.000 0.777 909 P CB 0.327 32.035 31.700 0.013 0.000 0.794 910 E N 0.091 120.340 120.200 0.082 0.000 2.191 910 E HA 0.316 4.568 4.350 -0.164 0.000 0.278 910 E C -0.497 176.013 176.600 -0.149 0.000 0.972 910 E CA -0.906 55.477 56.400 -0.027 0.000 0.804 910 E CB 0.788 30.443 29.700 -0.074 0.000 1.110 910 E HN -0.121 nan 8.360 nan 0.000 0.394 911 M N 4.648 123.943 119.600 -0.508 0.000 2.185 911 M HA 0.224 4.606 4.480 -0.164 0.000 0.357 911 M C -0.192 175.948 176.300 -0.267 0.000 1.260 911 M CA 0.054 55.060 55.300 -0.490 0.000 1.124 911 M CB 0.493 32.547 32.600 -0.910 0.000 1.600 911 M HN 0.558 nan 8.290 nan 0.000 0.467 912 R N 1.543 121.953 120.500 -0.150 0.000 2.531 912 R HA 0.188 4.430 4.340 -0.164 0.000 0.316 912 R C 0.070 176.336 176.300 -0.056 0.000 0.955 912 R CA 0.072 56.110 56.100 -0.102 0.000 1.120 912 R CB 0.700 30.976 30.300 -0.039 0.000 1.361 912 R HN 0.828 nan 8.270 nan 0.000 0.534 913 S N -0.963 114.684 115.700 -0.088 0.000 2.592 913 S HA 0.104 4.476 4.470 -0.164 0.000 0.271 913 S C 1.209 175.781 174.600 -0.048 0.000 1.326 913 S CA 0.133 58.279 58.200 -0.090 0.000 1.024 913 S CB 1.611 64.760 63.200 -0.084 0.000 0.921 913 S HN 0.264 nan 8.310 nan 0.000 0.527 914 T N -0.957 113.568 114.554 -0.050 0.000 3.034 914 T HA 0.495 4.747 4.350 -0.164 0.000 0.248 914 T C 0.834 175.515 174.700 -0.033 0.000 1.040 914 T CA 0.295 62.379 62.100 -0.028 0.000 1.107 914 T CB -0.290 68.561 68.868 -0.028 0.000 0.932 914 T HN 1.102 nan 8.240 nan 0.000 0.474 915 G N 0.559 109.330 108.800 -0.049 0.000 2.721 915 G HA2 0.632 4.493 3.960 -0.164 0.000 0.296 915 G HA3 0.632 4.493 3.960 -0.164 0.000 0.296 915 G C -2.054 172.802 174.900 -0.073 0.000 1.383 915 G CA -0.935 44.134 45.100 -0.052 0.000 0.788 915 G HN 0.543 nan 8.290 nan 0.000 0.500 916 E N -1.859 118.294 120.200 -0.079 0.000 2.413 916 E HA 0.653 4.905 4.350 -0.164 0.000 0.277 916 E C -1.084 175.463 176.600 -0.089 0.000 0.958 916 E CA -1.025 55.312 56.400 -0.105 0.000 0.779 916 E CB 2.222 31.838 29.700 -0.140 0.000 1.278 916 E HN 0.903 nan 8.360 nan 0.000 0.456 917 V N -1.398 118.452 119.914 -0.106 0.000 3.046 917 V HA 0.744 4.766 4.120 -0.164 0.000 0.316 917 V C -0.421 175.628 176.094 -0.074 0.000 1.104 917 V CA -1.117 61.135 62.300 -0.080 0.000 1.006 917 V CB 1.760 33.529 31.823 -0.089 0.000 1.058 917 V HN 0.912 nan 8.190 nan 0.000 0.440 918 M N 2.068 121.659 119.600 -0.015 0.000 2.326 918 M HA 0.828 5.210 4.480 -0.164 0.000 0.306 918 M C -0.294 176.018 176.300 0.019 0.000 1.054 918 M CA -0.193 55.148 55.300 0.068 0.000 0.922 918 M CB 1.836 34.550 32.600 0.190 0.000 1.632 918 M HN 1.139 nan 8.290 nan 0.000 0.436 919 G N 3.247 112.062 108.800 0.025 0.000 2.461 919 G HA2 0.665 4.527 3.960 -0.164 0.000 0.323 919 G HA3 0.665 4.527 3.960 -0.164 0.000 0.323 919 G C -1.774 173.150 174.900 0.040 0.000 1.229 919 G CA -0.509 44.576 45.100 -0.024 0.000 0.941 919 G HN 0.604 nan 8.290 nan 0.000 0.477 920 V N 1.429 121.346 119.914 0.005 0.000 2.483 920 V HA 0.892 4.914 4.120 -0.164 0.000 0.297 920 V C 0.532 176.639 176.094 0.023 0.000 1.027 920 V CA -0.064 62.245 62.300 0.015 0.000 0.855 920 V CB 1.238 32.993 31.823 -0.112 0.000 0.995 920 V HN 1.136 nan 8.190 nan 0.000 0.424 921 G N 3.384 112.255 108.800 0.118 0.000 2.727 921 G HA2 0.523 4.385 3.960 -0.164 0.000 0.289 921 G HA3 0.523 4.385 3.960 -0.164 0.000 0.289 921 G C -0.051 174.982 174.900 0.221 0.000 1.418 921 G CA -0.738 44.432 45.100 0.117 0.000 0.818 921 G HN 0.509 nan 8.290 nan 0.000 0.486 922 R N -1.090 119.515 120.500 0.175 0.000 2.193 922 R HA 0.137 4.379 4.340 -0.164 0.000 0.213 922 R C 0.981 177.455 176.300 0.290 0.000 1.055 922 R CA 1.405 57.630 56.100 0.208 0.000 0.995 922 R CB 0.002 30.383 30.300 0.136 0.000 0.893 922 R HN 0.617 nan 8.270 nan 0.000 0.459 923 T N -4.040 110.667 114.554 0.255 0.000 2.906 923 T HA 0.208 4.460 4.350 -0.164 0.000 0.295 923 T C 0.425 175.191 174.700 0.109 0.000 1.075 923 T CA -0.924 61.324 62.100 0.247 0.000 1.005 923 T CB 1.478 70.427 68.868 0.135 0.000 1.136 923 T HN 0.033 nan 8.240 nan 0.000 0.498 924 F N 1.929 121.640 119.950 -0.399 0.000 2.126 924 F HA 0.039 4.467 4.527 -0.165 0.000 0.299 924 F C 2.511 178.215 175.800 -0.159 0.000 1.096 924 F CA 2.027 59.708 58.000 -0.532 0.000 1.255 924 F CB -0.828 37.733 39.000 -0.732 0.000 0.997 924 F HN 0.775 nan 8.300 nan 0.000 0.479 925 A N 0.145 122.975 122.820 0.018 0.000 1.917 925 A HA -0.315 3.907 4.320 -0.164 0.000 0.219 925 A C 2.280 179.802 177.584 -0.103 0.000 1.182 925 A CA 2.074 54.087 52.037 -0.040 0.000 0.633 925 A CB -1.162 17.872 19.000 0.056 0.000 0.819 925 A HN 0.663 nan 8.150 nan 0.000 0.448 926 E N -0.388 119.782 120.200 -0.050 0.000 2.152 926 E HA -0.035 4.217 4.350 -0.164 0.000 0.192 926 E C 2.023 178.580 176.600 -0.072 0.000 0.983 926 E CA 0.857 57.236 56.400 -0.036 0.000 0.818 926 E CB -0.209 29.497 29.700 0.011 0.000 0.758 926 E HN 0.546 nan 8.360 nan 0.000 0.467 927 A N 0.513 123.274 122.820 -0.100 0.000 1.898 927 A HA -0.084 4.138 4.320 -0.164 0.000 0.214 927 A C 1.914 179.367 177.584 -0.219 0.000 1.183 927 A CA 0.706 52.682 52.037 -0.102 0.000 0.622 927 A CB -0.796 18.210 19.000 0.011 0.000 0.824 927 A HN 0.454 nan 8.150 nan 0.000 0.444 928 F N 1.023 120.653 119.950 -0.533 0.000 2.171 928 F HA -0.116 4.312 4.527 -0.165 0.000 0.300 928 F C 2.495 178.106 175.800 -0.315 0.000 1.090 928 F CA 1.216 58.891 58.000 -0.541 0.000 1.293 928 F CB -0.119 38.357 39.000 -0.874 0.000 1.013 928 F HN 0.252 nan 8.300 nan 0.000 0.486 929 A N -0.399 122.344 122.820 -0.128 0.000 1.969 929 A HA -0.175 4.046 4.320 -0.164 0.000 0.218 929 A C 2.178 179.645 177.584 -0.196 0.000 1.169 929 A CA 1.684 53.643 52.037 -0.131 0.000 0.635 929 A CB -0.514 18.436 19.000 -0.084 0.000 0.810 929 A HN 0.424 nan 8.150 nan 0.000 0.445 930 K N -0.586 119.700 120.400 -0.191 0.000 2.116 930 K HA 0.144 4.366 4.320 -0.164 0.000 0.203 930 K C 2.261 178.738 176.600 -0.205 0.000 1.052 930 K CA 0.817 57.004 56.287 -0.168 0.000 0.952 930 K CB -0.195 32.235 32.500 -0.117 0.000 0.729 930 K HN 0.399 nan 8.250 nan 0.000 0.446 931 A N 1.145 123.793 122.820 -0.288 0.000 1.933 931 A HA -0.236 3.986 4.320 -0.164 0.000 0.218 931 A C 2.088 179.452 177.584 -0.367 0.000 1.175 931 A CA 1.442 53.285 52.037 -0.324 0.000 0.628 931 A CB -0.447 18.291 19.000 -0.435 0.000 0.814 931 A HN 0.342 nan 8.150 nan 0.000 0.444 932 Q N -0.937 118.575 119.800 -0.479 0.000 2.046 932 Q HA -0.147 4.094 4.340 -0.164 0.000 0.200 932 Q C 2.014 177.881 176.000 -0.221 0.000 0.975 932 Q CA 1.591 57.157 55.803 -0.395 0.000 0.836 932 Q CB -0.229 28.248 28.738 -0.434 0.000 0.896 932 Q HN 0.535 nan 8.270 nan 0.000 0.428 933 L N 0.367 121.471 121.223 -0.198 0.000 2.046 933 L HA -0.030 4.212 4.340 -0.164 0.000 0.208 933 L C 2.126 178.945 176.870 -0.086 0.000 1.077 933 L CA 2.370 57.132 54.840 -0.130 0.000 0.747 933 L CB -0.984 40.983 42.059 -0.152 0.000 0.896 933 L HN 0.298 nan 8.230 nan 0.000 0.432 934 G N -1.356 107.379 108.800 -0.108 0.000 2.450 934 G HA2 -0.308 3.554 3.960 -0.164 0.000 0.220 934 G HA3 -0.308 3.554 3.960 -0.164 0.000 0.220 934 G C 1.511 176.372 174.900 -0.066 0.000 1.130 934 G CA 0.959 46.014 45.100 -0.075 0.000 0.760 934 G HN 0.597 nan 8.290 nan 0.000 0.557 935 S N -0.550 115.096 115.700 -0.090 0.000 2.650 935 S HA 0.041 4.412 4.470 -0.164 0.000 0.219 935 S C 1.065 175.645 174.600 -0.034 0.000 0.960 935 S CA 0.787 58.944 58.200 -0.073 0.000 0.925 935 S CB -0.550 62.590 63.200 -0.101 0.000 0.775 935 S HN 0.611 nan 8.310 nan 0.000 0.525 936 N N 0.090 118.780 118.700 -0.017 0.000 2.882 936 N HA -0.191 4.450 4.740 -0.164 0.000 0.249 936 N C -0.296 175.241 175.510 0.044 0.000 1.079 936 N CA 0.567 53.627 53.050 0.016 0.000 0.800 936 N CB -1.693 36.800 38.487 0.011 0.000 1.124 936 N HN 0.516 nan 8.380 nan 0.000 0.557 937 S N -0.083 115.639 115.700 0.037 0.000 2.558 937 S HA 0.126 4.498 4.470 -0.164 0.000 0.288 937 S C 1.522 176.180 174.600 0.097 0.000 1.318 937 S CA 0.902 59.159 58.200 0.096 0.000 1.056 937 S CB 0.960 64.155 63.200 -0.008 0.000 0.853 937 S HN 0.342 nan 8.310 nan 0.000 0.505 938 T N 2.859 117.520 114.554 0.177 0.000 3.145 938 T HA 0.250 4.502 4.350 -0.164 0.000 0.255 938 T C 0.523 175.310 174.700 0.145 0.000 1.039 938 T CA -0.530 61.663 62.100 0.154 0.000 0.928 938 T CB -0.208 68.764 68.868 0.173 0.000 1.029 938 T HN 0.516 nan 8.240 nan 0.000 0.554 939 M N 3.111 122.743 119.600 0.054 0.000 2.245 939 M HA 0.233 4.615 4.480 -0.164 0.000 0.335 939 M C -0.141 176.164 176.300 0.007 0.000 1.155 939 M CA -0.183 55.103 55.300 -0.023 0.000 1.055 939 M CB 0.052 32.445 32.600 -0.346 0.000 1.670 939 M HN 0.116 nan 8.290 nan 0.000 0.447 940 K N 3.916 124.337 120.400 0.035 0.000 2.306 940 K HA 0.365 4.586 4.320 -0.164 0.000 0.236 940 K C -0.105 176.509 176.600 0.024 0.000 1.013 940 K CA -0.818 55.446 56.287 -0.038 0.000 0.857 940 K CB 1.248 33.565 32.500 -0.305 0.000 1.214 940 K HN 0.576 nan 8.250 nan 0.000 0.449 941 K N 1.087 121.509 120.400 0.036 0.000 2.387 941 K HA 0.040 4.262 4.320 -0.164 0.000 0.198 941 K C 0.295 176.885 176.600 -0.017 0.000 1.022 941 K CA 0.225 56.579 56.287 0.111 0.000 1.128 941 K CB 0.165 32.727 32.500 0.103 0.000 0.853 941 K HN 0.609 nan 8.250 nan 0.000 0.523 942 H N -2.704 116.154 119.070 -0.353 0.000 2.918 942 H HA 0.547 5.005 4.556 -0.163 0.000 0.303 942 H C 0.124 174.943 175.328 -0.849 0.000 1.380 942 H CA -0.183 55.356 56.048 -0.849 0.000 1.134 942 H CB 0.929 30.472 29.762 -0.364 0.000 1.842 942 H HN 0.092 nan 8.280 nan 0.000 0.533 943 G N 0.493 108.942 108.800 -0.585 0.000 2.416 943 G HA2 -0.083 3.779 3.960 -0.164 0.000 0.203 943 G HA3 -0.083 3.779 3.960 -0.164 0.000 0.203 943 G C -1.157 173.747 174.900 0.006 0.000 1.227 943 G CA -0.329 44.676 45.100 -0.158 0.000 1.041 943 G HN 0.814 nan 8.290 nan 0.000 0.546 944 R N 0.267 120.926 120.500 0.265 0.000 2.532 944 R HA 0.719 4.961 4.340 -0.164 0.000 0.295 944 R C 0.075 176.717 176.300 0.571 0.000 0.968 944 R CA 0.103 56.455 56.100 0.419 0.000 0.916 944 R CB 1.294 31.781 30.300 0.312 0.000 1.124 944 R HN 1.449 nan 8.270 nan 0.000 0.463 945 A N 3.979 127.075 122.820 0.460 0.000 2.355 945 A HA 0.549 4.771 4.320 -0.164 0.000 0.324 945 A C -1.628 175.933 177.584 -0.038 0.000 1.117 945 A CA -0.736 51.428 52.037 0.212 0.000 0.785 945 A CB 1.496 20.575 19.000 0.133 0.000 1.254 945 A HN 0.595 nan 8.150 nan 0.000 0.453 946 L N 2.069 123.068 121.223 -0.373 0.000 2.305 946 L HA 0.709 4.950 4.340 -0.164 0.000 0.284 946 L C -1.634 175.025 176.870 -0.352 0.000 1.013 946 L CA -0.314 54.222 54.840 -0.506 0.000 0.819 946 L CB 1.219 42.665 42.059 -1.022 0.000 1.227 946 L HN 0.536 nan 8.230 nan 0.000 0.417 947 L N 4.466 125.559 121.223 -0.217 0.000 2.313 947 L HA 0.696 4.938 4.340 -0.164 0.000 0.283 947 L C -0.130 176.659 176.870 -0.135 0.000 1.013 947 L CA 0.002 54.740 54.840 -0.171 0.000 0.816 947 L CB 1.764 43.758 42.059 -0.108 0.000 1.236 947 L HN 0.626 nan 8.230 nan 0.000 0.419 948 S N 3.177 118.799 115.700 -0.129 0.000 2.511 948 S HA 0.664 5.036 4.470 -0.164 0.000 0.233 948 S C -0.932 173.625 174.600 -0.072 0.000 1.104 948 S CA -0.529 57.617 58.200 -0.089 0.000 1.129 948 S CB 0.536 63.678 63.200 -0.096 0.000 1.159 948 S HN 0.500 nan 8.310 nan 0.000 0.451 949 V N 3.133 123.018 119.914 -0.049 0.000 3.046 949 V HA 0.785 4.807 4.120 -0.164 0.000 0.316 949 V C -0.001 176.083 176.094 -0.017 0.000 1.104 949 V CA -1.449 60.832 62.300 -0.033 0.000 1.006 949 V CB 1.583 33.387 31.823 -0.031 0.000 1.058 949 V HN 0.910 nan 8.190 nan 0.000 0.440 950 R N 0.817 121.311 120.500 -0.010 0.000 2.726 950 R HA 0.378 4.619 4.340 -0.164 0.000 0.272 950 R C 0.773 177.075 176.300 0.004 0.000 1.097 950 R CA -0.447 55.648 56.100 -0.009 0.000 1.198 950 R CB 0.349 30.644 30.300 -0.009 0.000 1.114 950 R HN 0.733 nan 8.270 nan 0.000 0.550 951 E N 1.314 121.514 120.200 -0.000 0.000 2.035 951 E HA -0.186 4.066 4.350 -0.164 0.000 0.204 951 E C 2.093 178.708 176.600 0.025 0.000 1.025 951 E CA 2.374 58.780 56.400 0.010 0.000 0.835 951 E CB -0.957 28.745 29.700 0.003 0.000 0.764 951 E HN 0.915 nan 8.360 nan 0.000 0.457 952 G N 0.432 109.251 108.800 0.032 0.000 2.499 952 G HA2 -0.244 3.618 3.960 -0.164 0.000 0.221 952 G HA3 -0.244 3.618 3.960 -0.164 0.000 0.221 952 G C 1.079 176.012 174.900 0.056 0.000 1.109 952 G CA 1.161 46.291 45.100 0.051 0.000 0.749 952 G HN 0.204 nan 8.290 nan 0.000 0.568 953 D N -0.371 120.058 120.400 0.048 0.000 2.366 953 D HA 0.092 4.634 4.640 -0.164 0.000 0.205 953 D C 2.239 178.567 176.300 0.047 0.000 1.022 953 D CA 0.085 54.119 54.000 0.056 0.000 0.868 953 D CB 0.076 40.904 40.800 0.047 0.000 0.953 953 D HN 0.222 nan 8.370 nan 0.000 0.514 954 K N 0.930 121.350 120.400 0.033 0.000 2.089 954 K HA -0.208 4.013 4.320 -0.164 0.000 0.210 954 K C 1.881 178.503 176.600 0.036 0.000 1.048 954 K CA 1.156 57.459 56.287 0.026 0.000 0.926 954 K CB 0.097 32.610 32.500 0.021 0.000 0.714 954 K HN 0.182 nan 8.250 nan 0.000 0.448 955 E N 0.265 120.492 120.200 0.045 0.000 2.031 955 E HA -0.195 4.057 4.350 -0.164 0.000 0.193 955 E C 2.149 178.793 176.600 0.073 0.000 0.994 955 E CA 1.213 57.643 56.400 0.050 0.000 0.800 955 E CB 0.100 29.828 29.700 0.045 0.000 0.752 955 E HN 0.185 nan 8.360 nan 0.000 0.447 956 R N -0.017 120.545 120.500 0.103 0.000 2.148 956 R HA -0.051 4.190 4.340 -0.164 0.000 0.223 956 R C 2.374 178.809 176.300 0.226 0.000 1.088 956 R CA 0.445 56.656 56.100 0.186 0.000 0.985 956 R CB -0.134 30.316 30.300 0.249 0.000 0.880 956 R HN 0.086 nan 8.270 nan 0.000 0.451 957 V N 0.547 120.520 119.914 0.098 0.000 2.546 957 V HA -0.244 3.777 4.120 -0.164 0.000 0.254 957 V C 1.926 178.034 176.094 0.023 0.000 1.076 957 V CA 1.750 64.050 62.300 0.000 0.000 1.087 957 V CB -0.134 31.671 31.823 -0.030 0.000 0.674 957 V HN 0.145 nan 8.190 nan 0.000 0.470 958 V N 0.484 120.435 119.914 0.063 0.000 2.250 958 V HA -0.321 3.701 4.120 -0.164 0.000 0.250 958 V C 2.414 178.560 176.094 0.086 0.000 1.060 958 V CA 2.755 65.090 62.300 0.059 0.000 1.030 958 V CB -0.879 30.977 31.823 0.056 0.000 0.643 958 V HN 0.718 nan 8.190 nan 0.000 0.445 959 D N -0.591 119.903 120.400 0.157 0.000 2.178 959 D HA -0.142 4.400 4.640 -0.164 0.000 0.201 959 D C 1.866 178.318 176.300 0.252 0.000 0.980 959 D CA 0.973 55.101 54.000 0.213 0.000 0.842 959 D CB -0.126 40.825 40.800 0.253 0.000 0.948 959 D HN 0.338 nan 8.370 nan 0.000 0.472 960 L N 0.243 121.555 121.223 0.149 0.000 2.109 960 L HA 0.121 4.362 4.340 -0.164 0.000 0.207 960 L C 2.080 178.909 176.870 -0.069 0.000 1.086 960 L CA 1.927 56.683 54.840 -0.140 0.000 0.760 960 L CB -0.974 40.670 42.059 -0.691 0.000 0.910 960 L HN 0.013 nan 8.230 nan 0.000 0.437 961 A N -0.186 122.613 122.820 -0.035 0.000 1.902 961 A HA -0.075 4.147 4.320 -0.164 0.000 0.217 961 A C 2.478 180.078 177.584 0.026 0.000 1.181 961 A CA 1.744 53.775 52.037 -0.009 0.000 0.623 961 A CB -1.177 17.825 19.000 0.003 0.000 0.818 961 A HN 0.584 nan 8.150 nan 0.000 0.443 962 A N -0.167 122.681 122.820 0.046 0.000 1.908 962 A HA -0.196 4.026 4.320 -0.164 0.000 0.218 962 A C 2.108 179.730 177.584 0.062 0.000 1.181 962 A CA 2.042 54.114 52.037 0.058 0.000 0.627 962 A CB -0.438 18.602 19.000 0.067 0.000 0.818 962 A HN 0.538 nan 8.150 nan 0.000 0.445 963 K N -0.456 119.983 120.400 0.066 0.000 2.057 963 K HA -0.008 4.214 4.320 -0.164 0.000 0.207 963 K C 1.807 178.430 176.600 0.039 0.000 1.049 963 K CA 1.401 57.725 56.287 0.061 0.000 0.931 963 K CB -0.364 32.184 32.500 0.080 0.000 0.714 963 K HN 0.466 nan 8.250 nan 0.000 0.440 964 L N 0.682 121.901 121.223 -0.007 0.000 2.083 964 L HA -0.174 4.068 4.340 -0.164 0.000 0.209 964 L C 2.240 179.206 176.870 0.161 0.000 1.083 964 L CA 0.937 55.764 54.840 -0.022 0.000 0.752 964 L CB -0.343 41.616 42.059 -0.166 0.000 0.899 964 L HN 0.176 nan 8.230 nan 0.000 0.433 965 L N -0.315 120.981 121.223 0.122 0.000 2.056 965 L HA -0.235 4.006 4.340 -0.164 0.000 0.207 965 L C 2.729 179.675 176.870 0.127 0.000 1.078 965 L CA 1.293 56.215 54.840 0.137 0.000 0.749 965 L CB -0.365 41.748 42.059 0.090 0.000 0.901 965 L HN 0.237 nan 8.230 nan 0.000 0.433 966 K N -0.382 120.079 120.400 0.102 0.000 2.074 966 K HA -0.275 3.947 4.320 -0.164 0.000 0.209 966 K C 2.076 178.740 176.600 0.106 0.000 1.048 966 K CA 1.496 57.836 56.287 0.087 0.000 0.926 966 K CB 0.050 32.593 32.500 0.071 0.000 0.713 966 K HN 0.107 nan 8.250 nan 0.000 0.444 967 Q N -0.829 119.065 119.800 0.157 0.000 2.437 967 Q HA 0.000 4.242 4.340 -0.164 0.000 0.210 967 Q C 0.763 176.865 176.000 0.170 0.000 0.972 967 Q CA 1.117 57.039 55.803 0.198 0.000 0.903 967 Q CB 0.328 29.259 28.738 0.321 0.000 0.967 967 Q HN 0.594 nan 8.270 nan 0.000 0.486 968 G N -1.554 107.339 108.800 0.155 0.000 2.131 968 G HA2 -0.254 3.608 3.960 -0.164 0.000 0.223 968 G HA3 -0.254 3.608 3.960 -0.164 0.000 0.223 968 G C -0.152 174.756 174.900 0.013 0.000 0.990 968 G CA -0.209 44.928 45.100 0.062 0.000 0.671 968 G HN 0.250 nan 8.290 nan 0.000 0.521 969 F N 0.862 120.851 119.950 0.066 0.000 2.370 969 F HA 0.601 5.031 4.527 -0.163 0.000 0.324 969 F C 1.034 176.881 175.800 0.079 0.000 1.116 969 F CA -0.259 57.790 58.000 0.082 0.000 1.123 969 F CB 0.913 39.961 39.000 0.081 0.000 1.238 969 F HN 0.072 nan 8.300 nan 0.000 0.536 970 E N 1.791 122.161 120.200 0.283 0.000 2.214 970 E HA 0.538 4.790 4.350 -0.164 0.000 0.274 970 E C -1.249 175.486 176.600 0.224 0.000 0.977 970 E CA -0.651 55.868 56.400 0.198 0.000 0.827 970 E CB 1.489 31.269 29.700 0.135 0.000 1.130 970 E HN 0.371 nan 8.360 nan 0.000 0.394 971 L N 2.036 123.353 121.223 0.157 0.000 2.346 971 L HA 0.537 4.779 4.340 -0.164 0.000 0.274 971 L C -0.713 176.226 176.870 0.114 0.000 1.007 971 L CA -1.008 53.912 54.840 0.133 0.000 0.818 971 L CB 1.514 43.623 42.059 0.084 0.000 1.284 971 L HN 0.365 nan 8.230 nan 0.000 0.424 972 D N 1.470 121.938 120.400 0.114 0.000 2.481 972 D HA 0.797 5.339 4.640 -0.164 0.000 0.244 972 D C -0.850 175.462 176.300 0.019 0.000 1.057 972 D CA -0.115 53.946 54.000 0.102 0.000 0.848 972 D CB 2.386 43.317 40.800 0.218 0.000 1.388 972 D HN 0.676 nan 8.370 nan 0.000 0.475 973 A N 0.579 123.405 122.820 0.011 0.000 2.539 973 A HA 0.715 4.937 4.320 -0.164 0.000 0.296 973 A C -0.301 177.278 177.584 -0.008 0.000 1.073 973 A CA -0.819 51.206 52.037 -0.020 0.000 0.700 973 A CB 1.159 20.142 19.000 -0.027 0.000 1.296 973 A HN 0.458 nan 8.150 nan 0.000 0.405 974 T N -0.958 113.589 114.554 -0.012 0.000 2.897 974 T HA 0.365 4.617 4.350 -0.164 0.000 0.294 974 T C 1.066 175.801 174.700 0.057 0.000 1.004 974 T CA 0.551 62.663 62.100 0.021 0.000 1.106 974 T CB 0.610 69.484 68.868 0.009 0.000 0.949 974 T HN 0.821 nan 8.240 nan 0.000 0.520 975 H N 3.115 122.180 119.070 -0.007 0.000 2.322 975 H HA -0.289 4.169 4.556 -0.164 0.000 0.266 975 H C 2.394 177.723 175.328 0.001 0.000 1.106 975 H CA 3.034 59.082 56.048 0.001 0.000 1.253 975 H CB -0.909 28.858 29.762 0.008 0.000 1.538 975 H HN 0.871 nan 8.280 nan 0.000 0.656 976 G N -2.050 106.894 108.800 0.239 0.000 2.503 976 G HA2 -0.322 3.540 3.960 -0.164 0.000 0.221 976 G HA3 -0.322 3.540 3.960 -0.164 0.000 0.221 976 G C 1.708 176.634 174.900 0.045 0.000 1.131 976 G CA 1.548 46.738 45.100 0.149 0.000 0.756 976 G HN 0.541 nan 8.290 nan 0.000 0.572 977 T N 1.244 115.811 114.554 0.021 0.000 2.857 977 T HA 0.164 4.416 4.350 -0.164 0.000 0.266 977 T C 2.798 177.483 174.700 -0.026 0.000 1.048 977 T CA 1.197 63.293 62.100 -0.006 0.000 1.139 977 T CB -0.234 68.624 68.868 -0.017 0.000 0.874 977 T HN 0.380 nan 8.240 nan 0.000 0.455 978 A N 1.557 124.348 122.820 -0.049 0.000 1.930 978 A HA -0.001 4.220 4.320 -0.164 0.000 0.217 978 A C 2.216 179.750 177.584 -0.084 0.000 1.175 978 A CA 0.840 52.834 52.037 -0.073 0.000 0.627 978 A CB -0.609 18.327 19.000 -0.107 0.000 0.815 978 A HN 0.355 nan 8.150 nan 0.000 0.443 979 I N -0.157 120.349 120.570 -0.106 0.000 2.099 979 I HA -0.210 3.862 4.170 -0.164 0.000 0.239 979 I C 2.549 178.647 176.117 -0.032 0.000 1.066 979 I CA 1.404 62.656 61.300 -0.080 0.000 1.324 979 I CB -1.204 36.765 38.000 -0.050 0.000 1.037 979 I HN 0.159 nan 8.210 nan 0.000 0.401 980 V N 1.016 120.922 119.914 -0.014 0.000 2.287 980 V HA -0.276 3.746 4.120 -0.164 0.000 0.248 980 V C 2.627 178.720 176.094 -0.001 0.000 1.053 980 V CA 1.496 63.795 62.300 -0.001 0.000 1.027 980 V CB -0.494 31.333 31.823 0.008 0.000 0.646 980 V HN 0.333 nan 8.190 nan 0.000 0.447 981 L N 0.138 121.357 121.223 -0.007 0.000 2.012 981 L HA -0.158 4.084 4.340 -0.164 0.000 0.210 981 L C 2.656 179.525 176.870 -0.002 0.000 1.073 981 L CA 1.952 56.791 54.840 -0.001 0.000 0.748 981 L CB -1.241 40.815 42.059 -0.005 0.000 0.891 981 L HN 0.489 nan 8.230 nan 0.000 0.431 982 G N -0.405 108.387 108.800 -0.013 0.000 2.440 982 G HA2 -0.247 3.615 3.960 -0.164 0.000 0.218 982 G HA3 -0.247 3.615 3.960 -0.164 0.000 0.218 982 G C 1.322 176.219 174.900 -0.006 0.000 1.154 982 G CA 0.593 45.685 45.100 -0.013 0.000 0.767 982 G HN 0.467 nan 8.290 nan 0.000 0.552 983 E N 0.613 120.810 120.200 -0.005 0.000 2.401 983 E HA -0.008 4.243 4.350 -0.164 0.000 0.199 983 E C 2.344 178.948 176.600 0.006 0.000 1.023 983 E CA 0.618 57.019 56.400 0.001 0.000 0.859 983 E CB -0.069 29.634 29.700 0.004 0.000 0.780 983 E HN 0.476 nan 8.360 nan 0.000 0.523 984 A N 0.114 122.939 122.820 0.008 0.000 2.348 984 A HA 0.409 4.631 4.320 -0.164 0.000 0.224 984 A C 1.598 179.191 177.584 0.014 0.000 1.227 984 A CA 0.591 52.636 52.037 0.014 0.000 0.885 984 A CB 0.324 19.335 19.000 0.019 0.000 0.933 984 A HN 0.291 nan 8.150 nan 0.000 0.506 985 G N -0.905 107.902 108.800 0.011 0.000 2.184 985 G HA2 -0.163 3.698 3.960 -0.164 0.000 0.206 985 G HA3 -0.163 3.698 3.960 -0.164 0.000 0.206 985 G C -0.004 174.905 174.900 0.014 0.000 0.995 985 G CA 0.051 45.159 45.100 0.013 0.000 0.651 985 G HN 0.422 nan 8.290 nan 0.000 0.511 986 I N 1.652 122.230 120.570 0.013 0.000 2.355 986 I HA 0.319 4.391 4.170 -0.164 0.000 0.288 986 I C -0.308 175.815 176.117 0.009 0.000 0.999 986 I CA -0.575 60.735 61.300 0.016 0.000 1.163 986 I CB 1.492 39.504 38.000 0.021 0.000 1.316 986 I HN 0.043 nan 8.210 nan 0.000 0.454 987 N N 8.331 127.038 118.700 0.012 0.000 2.609 987 N HA 0.366 5.008 4.740 -0.164 0.000 0.234 987 N C -2.396 173.123 175.510 0.014 0.000 1.001 987 N CA -1.292 51.762 53.050 0.006 0.000 0.926 987 N CB 1.326 39.817 38.487 0.006 0.000 1.130 987 N HN 0.358 nan 8.380 nan 0.000 0.510 988 P HA 0.191 nan 4.420 nan 0.000 0.278 988 P C -0.528 176.786 177.300 0.023 0.000 1.266 988 P CA -0.531 62.583 63.100 0.024 0.000 0.807 988 P CB 1.313 33.021 31.700 0.013 0.000 1.094 989 R N 0.888 121.412 120.500 0.041 0.000 2.340 989 R HA 0.279 4.521 4.340 -0.164 0.000 0.300 989 R C -0.382 175.938 176.300 0.034 0.000 1.069 989 R CA -0.644 55.479 56.100 0.038 0.000 0.984 989 R CB -0.028 30.304 30.300 0.053 0.000 1.003 989 R HN 0.329 nan 8.270 nan 0.000 0.459 990 L N 5.694 126.928 121.223 0.018 0.000 2.367 990 L HA 0.252 4.494 4.340 -0.164 0.000 0.275 990 L C -0.779 176.112 176.870 0.035 0.000 1.129 990 L CA 0.250 55.098 54.840 0.013 0.000 0.839 990 L CB 1.439 43.496 42.059 -0.003 0.000 1.133 990 L HN 0.467 nan 8.230 nan 0.000 0.453 991 V N 6.173 126.113 119.914 0.044 0.000 2.667 991 V HA 0.514 4.535 4.120 -0.164 0.000 0.308 991 V C -0.208 175.911 176.094 0.042 0.000 1.048 991 V CA -0.658 61.676 62.300 0.056 0.000 0.928 991 V CB 2.005 33.880 31.823 0.088 0.000 1.004 991 V HN 0.983 nan 8.190 nan 0.000 0.444 992 N N 4.034 122.755 118.700 0.035 0.000 2.456 992 N HA 0.410 5.051 4.740 -0.164 0.000 0.288 992 N C -0.907 174.589 175.510 -0.022 0.000 1.059 992 N CA -0.698 52.355 53.050 0.004 0.000 0.946 992 N CB 1.303 39.796 38.487 0.011 0.000 1.150 992 N HN 0.628 nan 8.380 nan 0.000 0.479 993 K N 0.715 121.022 120.400 -0.156 0.000 2.180 993 K HA 0.097 4.319 4.320 -0.164 0.000 0.251 993 K C 0.931 177.320 176.600 -0.351 0.000 1.014 993 K CA -0.558 55.553 56.287 -0.294 0.000 0.913 993 K CB 0.789 33.002 32.500 -0.477 0.000 1.008 993 K HN 0.220 nan 8.250 nan 0.000 0.490 994 V N 1.465 121.170 119.914 -0.350 0.000 2.324 994 V HA -0.279 3.742 4.120 -0.164 0.000 0.250 994 V C 1.894 177.881 176.094 -0.177 0.000 1.060 994 V CA 2.209 64.280 62.300 -0.383 0.000 1.042 994 V CB -1.175 30.354 31.823 -0.489 0.000 0.650 994 V HN 0.830 nan 8.190 nan 0.000 0.450 995 H N -1.039 118.004 119.070 -0.046 0.000 2.556 995 H HA 0.126 4.584 4.556 -0.164 0.000 0.268 995 H C 1.752 177.085 175.328 0.009 0.000 0.996 995 H CA 0.933 56.971 56.048 -0.017 0.000 1.157 995 H CB -0.320 29.424 29.762 -0.031 0.000 1.355 995 H HN 0.481 nan 8.280 nan 0.000 0.597 996 E N -0.009 120.065 120.200 -0.210 0.000 2.389 996 E HA 0.301 4.553 4.350 -0.164 0.000 0.199 996 E C 0.597 177.200 176.600 0.005 0.000 0.978 996 E CA 0.288 56.651 56.400 -0.060 0.000 0.912 996 E CB 0.728 30.350 29.700 -0.130 0.000 0.907 996 E HN 0.621 nan 8.360 nan 0.000 0.494 997 G N 0.065 108.881 108.800 0.028 0.000 2.343 997 G HA2 0.203 4.065 3.960 -0.164 0.000 0.289 997 G HA3 0.203 4.065 3.960 -0.164 0.000 0.289 997 G C -1.593 173.331 174.900 0.041 0.000 1.295 997 G CA -1.074 44.048 45.100 0.038 0.000 0.869 997 G HN -0.056 nan 8.290 nan 0.000 0.522 998 R N 0.510 120.998 120.500 -0.020 0.000 2.621 998 R HA 0.614 4.856 4.340 -0.164 0.000 0.292 998 R C -2.338 173.905 176.300 -0.094 0.000 0.969 998 R CA -1.323 54.712 56.100 -0.109 0.000 0.887 998 R CB 2.143 32.369 30.300 -0.122 0.000 1.180 998 R HN 0.494 nan 8.270 nan 0.000 0.450 999 P HA 0.210 nan 4.420 nan 0.000 0.278 999 P C -0.986 176.197 177.300 -0.194 0.000 1.258 999 P CA -0.443 62.506 63.100 -0.252 0.000 0.811 999 P CB 0.662 32.241 31.700 -0.202 0.000 1.063 1000 H N -0.816 118.235 119.070 -0.032 0.000 2.754 1000 H HA 0.356 4.815 4.556 -0.162 0.000 0.352 1000 H C 1.367 176.690 175.328 -0.009 0.000 1.213 1000 H CA -0.937 55.090 56.048 -0.034 0.000 1.244 1000 H CB 1.315 31.041 29.762 -0.060 0.000 1.843 1000 H HN 0.314 nan 8.280 nan 0.000 0.587 1001 I N -1.955 118.759 120.570 0.240 0.000 2.143 1001 I HA -0.351 3.720 4.170 -0.164 0.000 0.245 1001 I C 2.348 178.595 176.117 0.217 0.000 1.068 1001 I CA 1.655 63.073 61.300 0.195 0.000 1.326 1001 I CB -0.697 37.349 38.000 0.077 0.000 1.028 1001 I HN 0.535 nan 8.210 nan 0.000 0.412 1002 Q N 1.511 121.477 119.800 0.277 0.000 2.096 1002 Q HA -0.256 3.986 4.340 -0.164 0.000 0.204 1002 Q C 1.880 177.966 176.000 0.144 0.000 0.982 1002 Q CA 2.475 58.393 55.803 0.192 0.000 0.850 1002 Q CB -0.287 28.502 28.738 0.085 0.000 0.901 1002 Q HN 0.636 nan 8.270 nan 0.000 0.422 1003 D N -0.130 120.384 120.400 0.190 0.000 2.097 1003 D HA -0.152 4.389 4.640 -0.164 0.000 0.195 1003 D C 2.089 178.318 176.300 -0.119 0.000 0.989 1003 D CA 0.950 54.904 54.000 -0.077 0.000 0.827 1003 D CB -0.160 40.461 40.800 -0.298 0.000 0.966 1003 D HN 0.284 nan 8.370 nan 0.000 0.456 1004 R N 0.384 120.834 120.500 -0.083 0.000 2.073 1004 R HA -0.072 4.170 4.340 -0.164 0.000 0.234 1004 R C 2.640 178.804 176.300 -0.226 0.000 1.134 1004 R CA 0.628 56.611 56.100 -0.196 0.000 0.952 1004 R CB -0.555 29.625 30.300 -0.201 0.000 0.850 1004 R HN 0.262 nan 8.270 nan 0.000 0.433 1005 I N 1.614 122.168 120.570 -0.028 0.000 2.076 1005 I HA -0.360 3.712 4.170 -0.164 0.000 0.237 1005 I C 2.678 178.606 176.117 -0.314 0.000 1.059 1005 I CA 1.790 63.092 61.300 0.003 0.000 1.317 1005 I CB -0.429 37.621 38.000 0.083 0.000 1.037 1005 I HN 0.151 nan 8.210 nan 0.000 0.398 1006 K N 1.078 121.153 120.400 -0.542 0.000 2.228 1006 K HA -0.262 3.960 4.320 -0.164 0.000 0.205 1006 K C 1.423 177.691 176.600 -0.554 0.000 1.045 1006 K CA 2.220 57.867 56.287 -1.067 0.000 0.931 1006 K CB -0.352 31.734 32.500 -0.691 0.000 0.727 1006 K HN 0.180 nan 8.250 nan 0.000 0.458 1007 N N 0.293 118.805 118.700 -0.312 0.000 2.375 1007 N HA 0.102 4.743 4.740 -0.164 0.000 0.220 1007 N C -0.185 175.231 175.510 -0.156 0.000 1.170 1007 N CA 0.698 53.630 53.050 -0.198 0.000 0.833 1007 N CB 0.239 38.627 38.487 -0.165 0.000 1.069 1007 N HN 0.471 nan 8.380 nan 0.000 0.479 1008 G N 0.550 109.265 108.800 -0.142 0.000 2.341 1008 G HA2 -0.337 3.525 3.960 -0.164 0.000 0.292 1008 G HA3 -0.337 3.525 3.960 -0.164 0.000 0.292 1008 G C 0.772 175.609 174.900 -0.105 0.000 1.021 1008 G CA 0.771 45.838 45.100 -0.056 0.000 0.905 1008 G HN 0.534 nan 8.290 nan 0.000 0.508 1009 E N -1.580 118.466 120.200 -0.256 0.000 2.285 1009 E HA 0.159 4.411 4.350 -0.164 0.000 0.194 1009 E C 0.297 176.639 176.600 -0.430 0.000 0.997 1009 E CA 0.620 56.757 56.400 -0.440 0.000 0.845 1009 E CB 0.098 29.353 29.700 -0.742 0.000 0.782 1009 E HN 0.658 nan 8.360 nan 0.000 0.491 1010 Y N -1.388 118.943 120.300 0.051 0.000 2.485 1010 Y HA 0.223 4.676 4.550 -0.163 0.000 0.345 1010 Y C 1.106 177.084 175.900 0.130 0.000 0.998 1010 Y CA -0.893 57.263 58.100 0.094 0.000 1.059 1010 Y CB 1.861 40.362 38.460 0.069 0.000 1.234 1010 Y HN -0.146 nan 8.280 nan 0.000 0.461 1011 T N -2.361 112.419 114.554 0.377 0.000 3.001 1011 T HA 0.204 4.456 4.350 -0.164 0.000 0.251 1011 T C -0.556 174.400 174.700 0.426 0.000 1.040 1011 T CA 0.195 62.478 62.100 0.305 0.000 0.985 1011 T CB -0.029 68.919 68.868 0.134 0.000 1.011 1011 T HN 0.452 nan 8.240 nan 0.000 0.509 1012 Y N 0.316 120.766 120.300 0.251 0.000 2.544 1012 Y HA 0.675 5.127 4.550 -0.164 0.000 0.342 1012 Y C -2.244 173.672 175.900 0.028 0.000 1.062 1012 Y CA -2.731 55.452 58.100 0.138 0.000 1.023 1012 Y CB 1.536 39.995 38.460 -0.001 0.000 1.308 1012 Y HN 0.114 nan 8.280 nan 0.000 0.457 1013 I N 6.744 126.836 120.570 -0.796 0.000 2.569 1013 I HA 0.423 4.495 4.170 -0.164 0.000 0.290 1013 I C -1.515 174.077 176.117 -0.875 0.000 1.088 1013 I CA -0.934 59.935 61.300 -0.718 0.000 1.047 1013 I CB 2.250 40.051 38.000 -0.331 0.000 1.237 1013 I HN 0.554 nan 8.210 nan 0.000 0.421 1014 I N 6.860 127.026 120.570 -0.674 0.000 2.410 1014 I HA 0.434 4.506 4.170 -0.164 0.000 0.286 1014 I C -1.057 174.928 176.117 -0.220 0.000 1.009 1014 I CA 0.134 61.200 61.300 -0.390 0.000 1.111 1014 I CB 1.184 39.011 38.000 -0.287 0.000 1.262 1014 I HN 0.615 nan 8.210 nan 0.000 0.443 1015 N N 5.802 124.429 118.700 -0.121 0.000 2.577 1015 N HA 0.334 4.976 4.740 -0.164 0.000 0.275 1015 N C -1.389 174.100 175.510 -0.036 0.000 1.091 1015 N CA -0.280 52.716 53.050 -0.090 0.000 0.843 1015 N CB 1.279 39.697 38.487 -0.116 0.000 1.295 1015 N HN 0.713 nan 8.380 nan 0.000 0.530 1016 T N 0.285 114.821 114.554 -0.030 0.000 2.855 1016 T HA 0.612 4.864 4.350 -0.164 0.000 0.281 1016 T C -0.272 174.420 174.700 -0.013 0.000 1.007 1016 T CA -0.380 61.719 62.100 -0.001 0.000 1.009 1016 T CB 1.885 70.765 68.868 0.019 0.000 0.983 1016 T HN 0.225 nan 8.240 nan 0.000 0.455 1017 T N 1.867 116.417 114.554 -0.007 0.000 2.952 1017 T HA 0.651 4.903 4.350 -0.164 0.000 0.305 1017 T C -0.807 173.874 174.700 -0.031 0.000 1.064 1017 T CA -0.696 61.387 62.100 -0.028 0.000 1.008 1017 T CB 1.920 70.766 68.868 -0.036 0.000 1.078 1017 T HN 0.690 nan 8.240 nan 0.000 0.459 1018 S N 0.821 116.473 115.700 -0.080 0.000 2.548 1018 S HA 0.885 5.257 4.470 -0.164 0.000 0.286 1018 S C -0.063 174.377 174.600 -0.267 0.000 1.098 1018 S CA 0.213 58.318 58.200 -0.158 0.000 0.930 1018 S CB 1.496 64.580 63.200 -0.193 0.000 1.070 1018 S HN 1.460 nan 8.310 nan 0.000 0.480 1019 G N 2.032 110.624 108.800 -0.347 0.000 2.785 1019 G HA2 -0.132 3.730 3.960 -0.164 0.000 0.686 1019 G HA3 -0.132 3.730 3.960 -0.164 0.000 0.686 1019 G C 0.056 174.902 174.900 -0.089 0.000 1.155 1019 G CA -0.017 44.912 45.100 -0.285 0.000 0.760 1019 G HN 0.727 nan 8.290 nan 0.000 0.624 1020 R N 0.589 121.077 120.500 -0.020 0.000 2.091 1020 R HA -0.019 4.223 4.340 -0.164 0.000 0.238 1020 R C 2.764 179.052 176.300 -0.020 0.000 1.136 1020 R CA 2.163 58.264 56.100 0.003 0.000 0.959 1020 R CB -0.194 30.128 30.300 0.036 0.000 0.856 1020 R HN 0.570 nan 8.270 nan 0.000 0.437 1021 R N -0.430 120.050 120.500 -0.032 0.000 2.062 1021 R HA -0.042 4.199 4.340 -0.164 0.000 0.231 1021 R C 2.189 178.461 176.300 -0.047 0.000 1.136 1021 R CA 1.405 57.482 56.100 -0.038 0.000 0.948 1021 R CB -0.468 29.807 30.300 -0.042 0.000 0.845 1021 R HN 0.326 nan 8.270 nan 0.000 0.430 1022 A N 1.190 123.973 122.820 -0.061 0.000 1.948 1022 A HA -0.179 4.043 4.320 -0.164 0.000 0.220 1022 A C 2.186 179.740 177.584 -0.051 0.000 1.177 1022 A CA 1.374 53.376 52.037 -0.059 0.000 0.636 1022 A CB -0.545 18.411 19.000 -0.074 0.000 0.815 1022 A HN 0.267 nan 8.150 nan 0.000 0.449 1023 I N -0.424 120.115 120.570 -0.051 0.000 2.142 1023 I HA -0.269 3.803 4.170 -0.164 0.000 0.240 1023 I C 2.492 178.584 176.117 -0.042 0.000 1.078 1023 I CA 1.769 63.043 61.300 -0.044 0.000 1.343 1023 I CB -0.525 37.455 38.000 -0.033 0.000 1.046 1023 I HN 0.457 nan 8.210 nan 0.000 0.405 1024 E N 0.675 120.854 120.200 -0.035 0.000 2.118 1024 E HA -0.239 4.013 4.350 -0.164 0.000 0.195 1024 E C 1.610 178.189 176.600 -0.036 0.000 0.992 1024 E CA 1.303 57.683 56.400 -0.033 0.000 0.804 1024 E CB -0.198 29.486 29.700 -0.025 0.000 0.741 1024 E HN 0.534 nan 8.360 nan 0.000 0.458 1025 D N 0.566 120.945 120.400 -0.036 0.000 2.178 1025 D HA -0.081 4.461 4.640 -0.164 0.000 0.202 1025 D C 2.038 178.322 176.300 -0.026 0.000 0.974 1025 D CA 1.433 55.416 54.000 -0.029 0.000 0.841 1025 D CB 0.036 40.818 40.800 -0.030 0.000 0.953 1025 D HN 0.183 nan 8.370 nan 0.000 0.478 1026 S N 0.372 116.048 115.700 -0.041 0.000 2.528 1026 S HA 0.014 4.386 4.470 -0.164 0.000 0.219 1026 S C 1.766 176.318 174.600 -0.080 0.000 0.985 1026 S CA -0.271 57.895 58.200 -0.056 0.000 0.914 1026 S CB 0.302 63.466 63.200 -0.060 0.000 0.776 1026 S HN 0.099 nan 8.310 nan 0.000 0.526 1027 R N 1.248 121.704 120.500 -0.074 0.000 2.196 1027 R HA -0.181 4.061 4.340 -0.164 0.000 0.259 1027 R C 2.144 178.384 176.300 -0.100 0.000 1.154 1027 R CA 2.012 58.060 56.100 -0.086 0.000 0.976 1027 R CB -1.097 29.166 30.300 -0.062 0.000 0.888 1027 R HN 0.449 nan 8.270 nan 0.000 0.453 1028 V N 0.760 120.624 119.914 -0.083 0.000 2.490 1028 V HA -0.210 3.812 4.120 -0.164 0.000 0.250 1028 V C 2.177 178.212 176.094 -0.097 0.000 1.061 1028 V CA 1.822 64.076 62.300 -0.078 0.000 1.064 1028 V CB -0.190 31.589 31.823 -0.073 0.000 0.670 1028 V HN 0.309 nan 8.190 nan 0.000 0.461 1029 I N 0.104 120.602 120.570 -0.120 0.000 2.142 1029 I HA -0.242 3.830 4.170 -0.164 0.000 0.240 1029 I C 2.784 178.756 176.117 -0.242 0.000 1.078 1029 I CA 2.192 63.402 61.300 -0.150 0.000 1.343 1029 I CB -0.483 37.425 38.000 -0.153 0.000 1.046 1029 I HN 0.237 nan 8.210 nan 0.000 0.405 1030 R N 0.408 120.722 120.500 -0.311 0.000 2.081 1030 R HA -0.115 4.127 4.340 -0.164 0.000 0.235 1030 R C 2.426 178.478 176.300 -0.413 0.000 1.131 1030 R CA 1.243 57.024 56.100 -0.531 0.000 0.960 1030 R CB -0.440 29.595 30.300 -0.441 0.000 0.856 1030 R HN 0.382 nan 8.270 nan 0.000 0.436 1031 R N 0.236 120.606 120.500 -0.216 0.000 2.096 1031 R HA -0.035 4.206 4.340 -0.164 0.000 0.235 1031 R C 2.392 178.661 176.300 -0.052 0.000 1.127 1031 R CA 1.507 57.537 56.100 -0.117 0.000 0.968 1031 R CB -0.298 29.961 30.300 -0.067 0.000 0.861 1031 R HN 0.121 nan 8.270 nan 0.000 0.440 1032 S N 0.991 116.679 115.700 -0.020 0.000 2.355 1032 S HA -0.087 4.285 4.470 -0.164 0.000 0.222 1032 S C 2.171 176.886 174.600 0.192 0.000 1.031 1032 S CA 1.083 59.369 58.200 0.145 0.000 0.993 1032 S CB -0.186 63.098 63.200 0.139 0.000 0.859 1032 S HN 0.474 nan 8.310 nan 0.000 0.453 1033 A N 1.693 124.513 122.820 -0.000 0.000 1.873 1033 A HA -0.139 4.083 4.320 -0.164 0.000 0.218 1033 A C 2.124 179.771 177.584 0.105 0.000 1.193 1033 A CA 1.687 53.729 52.037 0.007 0.000 0.629 1033 A CB -0.963 17.872 19.000 -0.274 0.000 0.826 1033 A HN 0.406 nan 8.150 nan 0.000 0.447 1034 L N -0.147 121.089 121.223 0.021 0.000 1.955 1034 L HA -0.259 3.983 4.340 -0.164 0.000 0.213 1034 L C 2.679 179.585 176.870 0.062 0.000 1.072 1034 L CA 2.867 57.798 54.840 0.152 0.000 0.755 1034 L CB -1.078 41.055 42.059 0.124 0.000 0.888 1034 L HN 0.662 nan 8.230 nan 0.000 0.432 1035 Q N -1.574 118.211 119.800 -0.024 0.000 2.133 1035 Q HA -0.296 3.946 4.340 -0.164 0.000 0.208 1035 Q C 1.653 177.423 176.000 -0.383 0.000 0.991 1035 Q CA 2.474 58.151 55.803 -0.209 0.000 0.867 1035 Q CB -0.408 28.172 28.738 -0.263 0.000 0.911 1035 Q HN 0.671 nan 8.270 nan 0.000 0.417 1036 Y N 0.372 120.703 120.300 0.052 0.000 2.461 1036 Y HA 0.130 4.582 4.550 -0.163 0.000 0.277 1036 Y C -0.122 175.831 175.900 0.087 0.000 1.182 1036 Y CA -0.001 58.137 58.100 0.063 0.000 1.276 1036 Y CB 0.706 39.204 38.460 0.064 0.000 1.087 1036 Y HN 0.008 nan 8.280 nan 0.000 0.519 1037 K N -0.956 119.538 120.400 0.157 0.000 3.125 1037 K HA -0.149 4.073 4.320 -0.164 0.000 0.268 1037 K C -0.871 175.857 176.600 0.214 0.000 1.078 1037 K CA 0.308 56.694 56.287 0.164 0.000 0.775 1037 K CB -2.557 30.015 32.500 0.120 0.000 1.253 1037 K HN 0.120 nan 8.250 nan 0.000 0.486 1038 V N 1.210 121.276 119.914 0.253 0.000 2.394 1038 V HA 0.143 4.165 4.120 -0.164 0.000 0.282 1038 V C 0.755 177.030 176.094 0.302 0.000 1.031 1038 V CA -0.853 61.611 62.300 0.273 0.000 0.881 1038 V CB 1.311 33.291 31.823 0.262 0.000 0.982 1038 V HN 0.402 nan 8.190 nan 0.000 0.451 1039 H N 5.199 124.413 119.070 0.241 0.000 2.964 1039 H HA 0.305 4.764 4.556 -0.162 0.000 0.328 1039 H C -0.669 174.816 175.328 0.261 0.000 1.030 1039 H CA 0.322 56.498 56.048 0.213 0.000 1.445 1039 H CB 0.172 30.056 29.762 0.203 0.000 1.449 1039 H HN 0.670 nan 8.280 nan 0.000 0.581 1040 Y N 1.590 121.579 120.300 -0.519 0.000 2.553 1040 Y HA 0.510 4.959 4.550 -0.168 0.000 0.347 1040 Y C -1.409 174.311 175.900 -0.299 0.000 1.019 1040 Y CA -1.376 56.528 58.100 -0.327 0.000 1.032 1040 Y CB 1.476 39.801 38.460 -0.224 0.000 1.284 1040 Y HN 0.432 nan 8.280 nan 0.000 0.466 1041 D N 1.098 121.461 120.400 -0.060 0.000 2.481 1041 D HA 0.290 4.832 4.640 -0.164 0.000 0.244 1041 D C 0.072 176.424 176.300 0.085 0.000 1.057 1041 D CA -0.380 53.633 54.000 0.022 0.000 0.848 1041 D CB 2.268 43.177 40.800 0.182 0.000 1.388 1041 D HN 0.818 nan 8.370 nan 0.000 0.475 1042 T N -2.925 111.691 114.554 0.103 0.000 3.085 1042 T HA 0.188 4.440 4.350 -0.164 0.000 0.264 1042 T C 0.552 175.307 174.700 0.091 0.000 1.019 1042 T CA -0.208 61.958 62.100 0.110 0.000 0.910 1042 T CB -0.070 68.885 68.868 0.145 0.000 1.059 1042 T HN 0.402 nan 8.240 nan 0.000 0.542 1043 T N -0.862 113.750 114.554 0.097 0.000 2.909 1043 T HA 0.621 4.873 4.350 -0.164 0.000 0.299 1043 T C 0.546 175.302 174.700 0.093 0.000 1.073 1043 T CA -0.884 61.281 62.100 0.107 0.000 0.999 1043 T CB 1.887 70.838 68.868 0.138 0.000 1.098 1043 T HN -0.070 nan 8.240 nan 0.000 0.477 1044 L N 2.179 123.458 121.223 0.094 0.000 2.093 1044 L HA 0.098 4.339 4.340 -0.164 0.000 0.208 1044 L C 2.198 179.170 176.870 0.170 0.000 1.085 1044 L CA 1.634 56.515 54.840 0.068 0.000 0.755 1044 L CB -0.869 41.249 42.059 0.098 0.000 0.904 1044 L HN 0.707 nan 8.230 nan 0.000 0.435 1045 N N -0.036 118.800 118.700 0.226 0.000 2.069 1045 N HA -0.148 4.494 4.740 -0.164 0.000 0.191 1045 N C 1.792 177.426 175.510 0.207 0.000 1.031 1045 N CA 1.516 54.726 53.050 0.266 0.000 0.852 1045 N CB -0.857 37.761 38.487 0.218 0.000 1.018 1045 N HN 0.476 nan 8.380 nan 0.000 0.423 1046 G N -0.224 108.677 108.800 0.169 0.000 2.432 1046 G HA2 -0.152 3.710 3.960 -0.164 0.000 0.219 1046 G HA3 -0.152 3.710 3.960 -0.164 0.000 0.219 1046 G C 1.550 176.523 174.900 0.122 0.000 1.135 1046 G CA 1.071 46.266 45.100 0.159 0.000 0.767 1046 G HN 0.450 nan 8.290 nan 0.000 0.550 1047 G N 0.097 108.951 108.800 0.091 0.000 2.421 1047 G HA2 -0.019 3.843 3.960 -0.164 0.000 0.217 1047 G HA3 -0.019 3.843 3.960 -0.164 0.000 0.217 1047 G C 1.504 176.366 174.900 -0.064 0.000 1.143 1047 G CA 0.352 45.480 45.100 0.047 0.000 0.784 1047 G HN 0.304 nan 8.290 nan 0.000 0.541 1048 F N 1.898 121.848 119.950 -0.000 0.000 2.102 1048 F HA 0.051 4.480 4.527 -0.164 0.000 0.298 1048 F C 3.012 178.748 175.800 -0.107 0.000 1.105 1048 F CA 0.895 58.874 58.000 -0.036 0.000 1.239 1048 F CB -0.537 38.455 39.000 -0.013 0.000 0.991 1048 F HN 0.233 nan 8.300 nan 0.000 0.474 1049 A N -0.604 122.185 122.820 -0.052 0.000 1.883 1049 A HA -0.206 4.016 4.320 -0.164 0.000 0.217 1049 A C 2.263 179.582 177.584 -0.442 0.000 1.186 1049 A CA 2.393 54.140 52.037 -0.484 0.000 0.624 1049 A CB -1.396 16.776 19.000 -1.380 0.000 0.822 1049 A HN 0.348 nan 8.150 nan 0.000 0.444 1050 T N 0.209 114.645 114.554 -0.195 0.000 2.737 1050 T HA -0.088 4.164 4.350 -0.164 0.000 0.269 1050 T C 2.147 176.762 174.700 -0.143 0.000 1.040 1050 T CA 1.739 63.809 62.100 -0.049 0.000 1.142 1050 T CB -0.422 68.395 68.868 -0.085 0.000 0.861 1050 T HN 0.618 nan 8.240 nan 0.000 0.456 1051 A N 1.168 123.903 122.820 -0.141 0.000 1.898 1051 A HA 0.000 4.222 4.320 -0.164 0.000 0.216 1051 A C 2.336 179.900 177.584 -0.033 0.000 1.181 1051 A CA 1.354 53.318 52.037 -0.121 0.000 0.620 1051 A CB -0.626 18.325 19.000 -0.082 0.000 0.819 1051 A HN 0.449 nan 8.150 nan 0.000 0.442 1052 M N -0.283 119.323 119.600 0.009 0.000 2.073 1052 M HA -0.231 4.151 4.480 -0.164 0.000 0.258 1052 M C 2.484 178.800 176.300 0.026 0.000 1.070 1052 M CA 1.705 57.032 55.300 0.045 0.000 1.103 1052 M CB -0.581 32.083 32.600 0.107 0.000 1.321 1052 M HN 0.465 nan 8.290 nan 0.000 0.405 1053 A N 0.293 123.120 122.820 0.012 0.000 2.084 1053 A HA -0.148 4.074 4.320 -0.164 0.000 0.221 1053 A C 2.071 179.653 177.584 -0.003 0.000 1.161 1053 A CA 1.348 53.400 52.037 0.025 0.000 0.653 1053 A CB -1.037 18.033 19.000 0.117 0.000 0.802 1053 A HN 0.506 nan 8.150 nan 0.000 0.457 1054 L N -0.977 120.238 121.223 -0.012 0.000 2.275 1054 L HA -0.174 4.068 4.340 -0.164 0.000 0.215 1054 L C 1.866 178.746 176.870 0.017 0.000 1.119 1054 L CA 1.258 56.099 54.840 0.002 0.000 0.790 1054 L CB -0.479 41.590 42.059 0.017 0.000 0.919 1054 L HN 0.495 nan 8.230 nan 0.000 0.443 1055 N N -0.560 118.151 118.700 0.019 0.000 2.515 1055 N HA 0.064 4.706 4.740 -0.164 0.000 0.185 1055 N C 0.427 175.946 175.510 0.014 0.000 1.109 1055 N CA 0.115 53.179 53.050 0.024 0.000 0.903 1055 N CB 0.253 38.760 38.487 0.034 0.000 0.969 1055 N HN 0.262 nan 8.380 nan 0.000 0.450 1056 A N 0.045 122.866 122.820 0.001 0.000 2.309 1056 A HA 0.470 4.691 4.320 -0.164 0.000 0.317 1056 A C -1.174 176.391 177.584 -0.032 0.000 1.134 1056 A CA -0.502 51.528 52.037 -0.012 0.000 0.866 1056 A CB 1.177 20.167 19.000 -0.017 0.000 1.329 1056 A HN 0.022 nan 8.150 nan 0.000 0.477 1057 D N -0.161 120.214 120.400 -0.043 0.000 2.389 1057 D HA 0.513 5.054 4.640 -0.164 0.000 0.256 1057 D C 0.755 177.003 176.300 -0.087 0.000 1.239 1057 D CA 0.231 54.191 54.000 -0.067 0.000 0.925 1057 D CB 1.194 41.958 40.800 -0.060 0.000 1.145 1057 D HN 0.512 nan 8.370 nan 0.000 0.542 1058 A N 2.470 125.222 122.820 -0.115 0.000 2.131 1058 A HA -0.105 4.117 4.320 -0.164 0.000 0.220 1058 A C 1.631 179.126 177.584 -0.148 0.000 1.158 1058 A CA 1.857 53.815 52.037 -0.131 0.000 0.665 1058 A CB -0.401 18.505 19.000 -0.156 0.000 0.795 1058 A HN 0.538 nan 8.150 nan 0.000 0.460 1059 T N -3.906 110.548 114.554 -0.165 0.000 3.214 1059 T HA 0.282 4.534 4.350 -0.164 0.000 0.264 1059 T C 1.018 175.639 174.700 -0.131 0.000 1.012 1059 T CA 0.459 62.453 62.100 -0.177 0.000 0.901 1059 T CB 0.308 69.033 68.868 -0.239 0.000 1.070 1059 T HN 0.530 nan 8.240 nan 0.000 0.561 1060 E N 1.597 121.739 120.200 -0.096 0.000 2.086 1060 E HA 0.086 4.338 4.350 -0.164 0.000 0.190 1060 E C 0.637 177.203 176.600 -0.057 0.000 0.975 1060 E CA 0.474 56.833 56.400 -0.068 0.000 0.813 1060 E CB 0.299 29.971 29.700 -0.046 0.000 0.768 1060 E HN 0.644 nan 8.360 nan 0.000 0.457 1061 K N 0.329 120.698 120.400 -0.052 0.000 2.501 1061 K HA 0.335 4.557 4.320 -0.164 0.000 0.252 1061 K C -1.072 175.509 176.600 -0.032 0.000 0.934 1061 K CA -0.795 55.470 56.287 -0.035 0.000 0.797 1061 K CB 2.221 34.714 32.500 -0.012 0.000 1.270 1061 K HN -0.035 nan 8.250 nan 0.000 0.431 1062 V N 1.755 121.658 119.914 -0.018 0.000 2.715 1062 V HA 0.766 4.788 4.120 -0.164 0.000 0.310 1062 V C -0.599 175.584 176.094 0.148 0.000 1.054 1062 V CA -0.789 61.534 62.300 0.039 0.000 0.928 1062 V CB 1.472 33.262 31.823 -0.055 0.000 1.007 1062 V HN 0.940 nan 8.190 nan 0.000 0.437 1063 I N 2.957 123.643 120.570 0.193 0.000 2.802 1063 I HA 0.687 4.759 4.170 -0.164 0.000 0.298 1063 I C 0.063 176.100 176.117 -0.132 0.000 1.176 1063 I CA -0.306 61.032 61.300 0.063 0.000 1.025 1063 I CB 2.531 40.494 38.000 -0.063 0.000 1.243 1063 I HN 1.094 nan 8.210 nan 0.000 0.424 1064 S N 4.664 120.141 115.700 -0.371 0.000 2.616 1064 S HA 0.319 4.691 4.470 -0.164 0.000 0.277 1064 S C 0.959 175.306 174.600 -0.422 0.000 1.234 1064 S CA -0.616 57.191 58.200 -0.655 0.000 1.028 1064 S CB 1.840 64.649 63.200 -0.651 0.000 0.988 1064 S HN 0.495 nan 8.310 nan 0.000 0.522 1065 V N 2.534 122.189 119.914 -0.431 0.000 2.332 1065 V HA -0.203 3.818 4.120 -0.164 0.000 0.248 1065 V C 2.739 178.554 176.094 -0.464 0.000 1.055 1065 V CA 2.182 64.201 62.300 -0.468 0.000 1.038 1065 V CB -1.485 30.072 31.823 -0.443 0.000 0.651 1065 V HN 0.862 nan 8.190 nan 0.000 0.450 1066 Q N 0.466 120.077 119.800 -0.314 0.000 2.045 1066 Q HA -0.254 3.988 4.340 -0.164 0.000 0.206 1066 Q C 2.218 178.153 176.000 -0.108 0.000 0.991 1066 Q CA 2.368 58.065 55.803 -0.176 0.000 0.851 1066 Q CB -0.435 28.224 28.738 -0.133 0.000 0.911 1066 Q HN 0.741 nan 8.270 nan 0.000 0.418 1067 E N -0.092 120.028 120.200 -0.132 0.000 2.058 1067 E HA -0.227 4.025 4.350 -0.164 0.000 0.194 1067 E C 2.027 178.613 176.600 -0.024 0.000 0.997 1067 E CA 1.432 57.791 56.400 -0.068 0.000 0.801 1067 E CB -0.254 29.396 29.700 -0.084 0.000 0.746 1067 E HN 0.340 nan 8.360 nan 0.000 0.450 1068 M N 0.191 119.728 119.600 -0.105 0.000 2.226 1068 M HA -0.274 4.108 4.480 -0.164 0.000 0.257 1068 M C 2.208 178.673 176.300 0.276 0.000 1.070 1068 M CA 1.879 57.159 55.300 -0.032 0.000 1.087 1068 M CB -0.753 31.691 32.600 -0.261 0.000 1.278 1068 M HN 0.285 nan 8.290 nan 0.000 0.426 1069 H N -1.000 118.092 119.070 0.038 0.000 2.489 1069 H HA -0.027 4.430 4.556 -0.164 0.000 0.293 1069 H C 1.882 177.236 175.328 0.043 0.000 1.066 1069 H CA 0.584 56.665 56.048 0.054 0.000 1.305 1069 H CB -0.007 29.767 29.762 0.019 0.000 1.386 1069 H HN 0.486 nan 8.280 nan 0.000 0.551 1070 A N 0.599 123.515 122.820 0.159 0.000 2.208 1070 A HA -0.049 4.173 4.320 -0.164 0.000 0.209 1070 A C 1.849 179.482 177.584 0.082 0.000 1.161 1070 A CA 0.401 52.491 52.037 0.089 0.000 0.782 1070 A CB 0.086 19.116 19.000 0.051 0.000 0.816 1070 A HN 0.434 nan 8.150 nan 0.000 0.477 1071 Q N -0.468 119.405 119.800 0.122 0.000 2.356 1071 Q HA 0.278 4.520 4.340 -0.164 0.000 0.205 1071 Q C -0.316 175.725 176.000 0.068 0.000 0.901 1071 Q CA -0.062 55.805 55.803 0.107 0.000 0.938 1071 Q CB 0.402 29.243 28.738 0.171 0.000 1.081 1071 Q HN 0.620 nan 8.270 nan 0.000 0.517 1072 I N 2.098 122.706 120.570 0.063 0.000 2.452 1072 I HA 0.067 4.139 4.170 -0.164 0.000 0.287 1072 I C 0.219 176.328 176.117 -0.013 0.000 1.079 1072 I CA -0.121 61.178 61.300 -0.001 0.000 1.387 1072 I CB 0.437 38.420 38.000 -0.029 0.000 1.404 1072 I HN -0.134 nan 8.210 nan 0.000 0.522 1073 K N 0.000 120.382 120.400 -0.029 0.000 2.780 1073 K HA 0.000 4.222 4.320 -0.164 0.000 0.191 1073 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 1073 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543