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 2bma_1_E DATA FIRST_RESID -22 DATA SEQUENCE LKDKTGRFVV LDKNASNYES LVXDQEMNNV YERVMKLDPN QVEFLQAFHE DATA SEQUENCE ILYSLKPLFM EEPKYXXLPI IETLSEPERA IQFRVCWLDD NGVQRKNRCF DATA SEQUENCE RVQYNSALGP YKGGLRFHPS VNLSIVKFLG FEQIFKNSLT GLSMGGGKGG DATA SEQUENCE SDFDPKGKSD NEILKFCQAF MNELYRHIGP CTDVPAGDIG VGGREIGYLY DATA SEQUENCE GQYKKIVNSF NGTLTGKXNV KWGGSNLRVE ATGYGLVYFV LEVLKSLNIP DATA SEQUENCE VEKQTAVVSG SGNVALYCVQ KLLHLNVKVL TLSDSNGYVY EPNGFTHENL DATA SEQUENCE EFLIDLKEEK KGRIKEYLNH SSTAKYFPNE KPWGVPCTLA FPCATQNDVD DATA SEQUENCE LDQAKLLQKN GCILVGEGAN MPSTVDAINL FKSNXNIIYC PSKAANAGGV DATA SEQUENCE AISGLEMSQN FQFSHWTRET VDEKLKEIMR NIFIACSENL KYTKNKYDLQ DATA SEQUENCE AGANIAGFLK VAESYIEQGC F 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 -22 L HA 0.000 nan 4.340 nan 0.000 0.249 -22 L C 0.000 176.895 176.870 0.042 0.000 1.165 -22 L CA 0.000 54.860 54.840 0.033 0.000 0.813 -22 L CB 0.000 42.074 42.059 0.024 0.000 0.961 -21 K N 0.957 121.381 120.400 0.040 0.000 2.502 -21 K HA 0.302 4.621 4.320 -0.000 0.000 0.257 -21 K C -1.253 175.381 176.600 0.056 0.000 0.938 -21 K CA -0.746 55.572 56.287 0.053 0.000 0.819 -21 K CB 2.139 34.659 32.500 0.033 0.000 1.333 -21 K HN 0.054 nan 8.250 nan 0.000 0.434 -20 D N 1.460 121.913 120.400 0.089 0.000 2.314 -20 D HA -0.026 4.614 4.640 -0.000 0.000 0.252 -20 D C 0.347 176.683 176.300 0.061 0.000 1.295 -20 D CA 0.063 54.108 54.000 0.076 0.000 0.995 -20 D CB 0.635 41.503 40.800 0.114 0.000 1.125 -20 D HN 0.427 nan 8.370 nan 0.000 0.537 -19 K N -1.327 119.104 120.400 0.053 0.000 2.148 -19 K HA -0.097 4.222 4.320 -0.000 0.000 0.204 -19 K C 2.036 178.663 176.600 0.045 0.000 1.050 -19 K CA 1.236 57.547 56.287 0.041 0.000 0.942 -19 K CB -0.279 32.242 32.500 0.035 0.000 0.724 -19 K HN 0.372 nan 8.250 nan 0.000 0.446 -18 T N -0.933 113.665 114.554 0.074 0.000 3.055 -18 T HA 0.033 4.383 4.350 -0.000 0.000 0.265 -18 T C 1.365 176.073 174.700 0.014 0.000 1.111 -18 T CA 1.102 63.237 62.100 0.058 0.000 1.118 -18 T CB -0.196 68.739 68.868 0.111 0.000 0.909 -18 T HN 0.551 nan 8.240 nan 0.000 0.501 -17 G N 1.236 110.049 108.800 0.020 0.000 2.267 -17 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 -17 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 -17 G C 1.108 175.953 174.900 -0.091 0.000 0.998 -17 G CA 0.603 45.692 45.100 -0.018 0.000 0.620 -17 G HN 0.526 nan 8.290 nan 0.000 0.529 -16 R N -0.697 119.688 120.500 -0.192 0.000 2.276 -16 R HA 0.298 4.638 4.340 -0.000 0.000 0.203 -16 R C -0.018 175.790 176.300 -0.821 0.000 1.017 -16 R CA 0.616 56.409 56.100 -0.511 0.000 1.010 -16 R CB 0.018 29.903 30.300 -0.693 0.000 0.900 -16 R HN 0.410 nan 8.270 nan 0.000 0.469 -15 F N -0.602 119.359 119.950 0.018 0.000 2.547 -15 F HA 0.281 4.808 4.527 -0.000 0.000 0.316 -15 F C -0.039 175.771 175.800 0.017 0.000 1.121 -15 F CA -1.222 56.793 58.000 0.025 0.000 0.911 -15 F CB 1.633 40.649 39.000 0.027 0.000 1.179 -15 F HN -0.393 nan 8.300 nan 0.000 0.443 -14 V N 4.821 124.850 119.914 0.191 0.000 2.470 -14 V HA 0.185 4.305 4.120 -0.000 0.000 0.276 -14 V C 0.237 176.401 176.094 0.116 0.000 1.040 -14 V CA -0.438 61.933 62.300 0.118 0.000 1.008 -14 V CB 0.940 32.814 31.823 0.085 0.000 0.990 -14 V HN 0.536 nan 8.190 nan 0.000 0.477 -13 V N 6.205 126.173 119.914 0.090 0.000 3.264 -13 V HA 0.209 4.329 4.120 -0.000 0.000 0.304 -13 V C 0.328 176.480 176.094 0.097 0.000 1.086 -13 V CA -0.470 61.880 62.300 0.084 0.000 1.090 -13 V CB 1.365 33.224 31.823 0.060 0.000 1.112 -13 V HN 0.637 nan 8.190 nan 0.000 0.472 -12 L N 2.189 123.495 121.223 0.139 0.000 2.892 -12 L HA 0.394 4.734 4.340 -0.000 0.000 0.251 -12 L C 0.268 177.293 176.870 0.257 0.000 1.339 -12 L CA -0.064 54.888 54.840 0.187 0.000 0.900 -12 L CB -0.380 41.796 42.059 0.196 0.000 1.246 -12 L HN 0.750 nan 8.230 nan 0.000 0.524 -11 D N 1.494 121.962 120.400 0.113 0.000 8.243 -11 D HA -0.287 4.353 4.640 -0.000 0.000 0.131 -11 D C 1.156 177.370 176.300 -0.143 0.000 1.185 -11 D CA 0.738 54.746 54.000 0.013 0.000 0.889 -11 D CB 0.613 41.427 40.800 0.024 0.000 1.714 -11 D HN 0.497 nan 8.370 nan 0.000 0.978 -10 K N 2.785 122.903 120.400 -0.470 0.000 2.504 -10 K HA -0.092 4.227 4.320 -0.000 0.000 0.195 -10 K C 1.353 177.516 176.600 -0.728 0.000 1.036 -10 K CA 0.765 56.250 56.287 -1.337 0.000 0.984 -10 K CB 0.113 32.074 32.500 -0.898 0.000 0.788 -10 K HN 0.461 nan 8.250 nan 0.000 0.488 -9 N N -0.167 118.340 118.700 -0.320 0.000 2.214 -9 N HA 0.046 4.786 4.740 -0.000 0.000 0.214 -9 N C -0.077 175.389 175.510 -0.073 0.000 1.132 -9 N CA -0.174 52.778 53.050 -0.163 0.000 0.856 -9 N CB 0.515 38.940 38.487 -0.104 0.000 1.020 -9 N HN -0.009 nan 8.380 nan 0.000 0.509 -8 A N 1.189 123.983 122.820 -0.043 0.000 2.327 -8 A HA 0.319 4.639 4.320 -0.000 0.000 0.255 -8 A C 1.457 179.077 177.584 0.060 0.000 1.099 -8 A CA 0.111 52.169 52.037 0.036 0.000 0.801 -8 A CB 0.346 19.402 19.000 0.094 0.000 1.062 -8 A HN 0.385 nan 8.150 nan 0.000 0.496 -7 S N 0.166 115.901 115.700 0.059 0.000 2.406 -7 S HA -0.111 4.358 4.470 -0.000 0.000 0.228 -7 S C 0.704 175.352 174.600 0.080 0.000 1.020 -7 S CA 0.993 59.228 58.200 0.057 0.000 0.965 -7 S CB -0.337 62.887 63.200 0.040 0.000 0.798 -7 S HN 0.877 nan 8.310 nan 0.000 0.488 -6 N N 0.189 118.946 118.700 0.094 0.000 2.535 -6 N HA 0.095 4.835 4.740 -0.000 0.000 0.294 -6 N C 0.339 175.924 175.510 0.125 0.000 1.408 -6 N CA -0.651 52.453 53.050 0.089 0.000 0.927 -6 N CB -0.502 38.019 38.487 0.057 0.000 1.276 -6 N HN 0.325 nan 8.380 nan 0.000 0.505 -5 Y N 1.983 122.297 120.300 0.023 0.000 2.030 -5 Y HA -0.270 4.280 4.550 -0.000 0.000 0.274 -5 Y C 2.302 178.220 175.900 0.031 0.000 1.153 -5 Y CA 2.383 60.499 58.100 0.027 0.000 1.115 -5 Y CB -0.290 38.188 38.460 0.029 0.000 0.969 -5 Y HN 0.358 nan 8.280 nan 0.000 0.488 -4 E N -0.463 119.669 120.200 -0.114 0.000 2.114 -4 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 -4 E C 2.257 178.773 176.600 -0.140 0.000 1.008 -4 E CA 2.107 58.392 56.400 -0.191 0.000 0.810 -4 E CB -0.363 29.311 29.700 -0.044 0.000 0.739 -4 E HN 0.480 nan 8.360 nan 0.000 0.456 -3 S N -0.165 115.499 115.700 -0.061 0.000 2.383 -3 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 -3 S C 1.828 176.398 174.600 -0.049 0.000 1.026 -3 S CA 0.894 59.073 58.200 -0.034 0.000 0.981 -3 S CB -0.186 63.014 63.200 -0.001 0.000 0.818 -3 S HN 0.263 nan 8.310 nan 0.000 0.472 -2 L N 1.184 122.369 121.223 -0.062 0.000 2.017 -2 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 -2 L C 1.277 178.084 176.870 -0.106 0.000 1.073 -2 L CA 0.572 55.383 54.840 -0.050 0.000 0.745 -2 L CB -0.801 41.264 42.059 0.010 0.000 0.894 -2 L HN 0.146 nan 8.230 nan 0.000 0.432 2 Q N 1.532 121.326 119.800 -0.010 0.000 2.170 2 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 2 Q C 1.749 177.745 176.000 -0.007 0.000 0.976 2 Q CA 1.958 57.765 55.803 0.007 0.000 0.858 2 Q CB 0.090 28.831 28.738 0.005 0.000 0.907 2 Q HN 0.142 nan 8.270 nan 0.000 0.433 3 E N -0.423 119.749 120.200 -0.047 0.000 2.046 3 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 3 E C 1.777 178.312 176.600 -0.109 0.000 0.982 3 E CA 1.400 57.759 56.400 -0.067 0.000 0.800 3 E CB -0.223 29.424 29.700 -0.089 0.000 0.756 3 E HN 0.452 nan 8.360 nan 0.000 0.449 4 M N 0.465 119.957 119.600 -0.180 0.000 2.144 4 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 4 M C 2.185 178.408 176.300 -0.127 0.000 1.067 4 M CA 1.434 56.548 55.300 -0.309 0.000 1.095 4 M CB -0.396 31.924 32.600 -0.465 0.000 1.365 4 M HN 0.165 nan 8.290 nan 0.000 0.406 5 N N 0.668 119.388 118.700 0.033 0.000 2.142 5 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 5 N C 1.082 176.678 175.510 0.142 0.000 1.023 5 N CA 1.329 54.485 53.050 0.176 0.000 0.852 5 N CB -0.233 38.347 38.487 0.155 0.000 0.998 5 N HN 0.522 nan 8.380 nan 0.000 0.424 6 N N -0.245 118.492 118.700 0.062 0.000 2.244 6 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 6 N C 1.794 177.329 175.510 0.043 0.000 1.016 6 N CA 0.586 53.663 53.050 0.044 0.000 0.866 6 N CB 0.224 38.722 38.487 0.018 0.000 0.980 6 N HN -0.017 nan 8.380 nan 0.000 0.430 7 V N 0.470 120.407 119.914 0.038 0.000 2.343 7 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 7 V C 1.860 178.056 176.094 0.170 0.000 1.051 7 V CA 1.482 63.823 62.300 0.067 0.000 1.036 7 V CB -0.635 31.194 31.823 0.011 0.000 0.654 7 V HN 0.371 nan 8.190 nan 0.000 0.451 8 Y N 0.979 121.352 120.300 0.121 0.000 2.263 8 Y HA -0.109 4.441 4.550 -0.000 0.000 0.292 8 Y C 2.574 178.556 175.900 0.137 0.000 1.130 8 Y CA 1.432 59.666 58.100 0.223 0.000 1.179 8 Y CB -0.084 38.532 38.460 0.261 0.000 0.998 8 Y HN 0.232 nan 8.280 nan 0.000 0.532 9 E N 0.333 120.509 120.200 -0.039 0.000 2.110 9 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 9 E C 2.269 178.781 176.600 -0.146 0.000 0.988 9 E CA 1.213 57.545 56.400 -0.114 0.000 0.804 9 E CB -0.219 29.484 29.700 0.005 0.000 0.745 9 E HN 0.548 nan 8.360 nan 0.000 0.458 10 R N 0.196 120.639 120.500 -0.095 0.000 2.090 10 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 10 R C 2.523 178.741 176.300 -0.137 0.000 1.110 10 R CA 0.720 56.769 56.100 -0.085 0.000 0.973 10 R CB -0.286 29.990 30.300 -0.040 0.000 0.869 10 R HN -0.004 nan 8.270 nan 0.000 0.440 11 V N 1.639 121.430 119.914 -0.205 0.000 2.261 11 V HA -0.307 3.812 4.120 -0.000 0.000 0.246 11 V C 2.437 178.371 176.094 -0.266 0.000 1.047 11 V CA 1.830 63.957 62.300 -0.290 0.000 1.015 11 V CB -0.379 31.112 31.823 -0.553 0.000 0.642 11 V HN 0.356 nan 8.190 nan 0.000 0.446 12 M N -0.423 118.929 119.600 -0.413 0.000 2.073 12 M HA -0.285 4.195 4.480 -0.000 0.000 0.258 12 M C 2.305 178.509 176.300 -0.160 0.000 1.070 12 M CA 2.083 57.176 55.300 -0.344 0.000 1.103 12 M CB -0.305 31.991 32.600 -0.508 0.000 1.321 12 M HN 0.226 nan 8.290 nan 0.000 0.405 13 K N 0.083 120.397 120.400 -0.143 0.000 2.147 13 K HA -0.142 4.177 4.320 -0.000 0.000 0.205 13 K C 1.891 178.458 176.600 -0.055 0.000 1.049 13 K CA 1.142 57.382 56.287 -0.078 0.000 0.936 13 K CB -0.268 32.193 32.500 -0.064 0.000 0.722 13 K HN 0.434 nan 8.250 nan 0.000 0.446 14 L N 0.759 121.944 121.223 -0.062 0.000 2.093 14 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 14 L C 0.349 177.207 176.870 -0.019 0.000 1.085 14 L CA 1.138 55.954 54.840 -0.039 0.000 0.755 14 L CB 0.156 42.188 42.059 -0.045 0.000 0.904 14 L HN 0.159 nan 8.230 nan 0.000 0.435 15 D N -1.827 118.573 120.400 -0.000 0.000 2.613 15 D HA 0.159 4.799 4.640 -0.000 0.000 0.312 15 D C -1.933 174.392 176.300 0.042 0.000 1.202 15 D CA -1.035 52.988 54.000 0.039 0.000 0.825 15 D CB 1.087 41.956 40.800 0.115 0.000 1.113 15 D HN -0.023 nan 8.370 nan 0.000 0.502 16 P HA -0.172 nan 4.420 nan 0.000 0.216 16 P C 0.505 177.820 177.300 0.026 0.000 1.157 16 P CA 1.502 64.605 63.100 0.005 0.000 0.880 16 P CB 0.224 31.924 31.700 -0.001 0.000 0.791 17 N N -1.812 116.909 118.700 0.035 0.000 2.251 17 N HA 0.057 4.797 4.740 -0.000 0.000 0.217 17 N C -0.132 175.413 175.510 0.059 0.000 1.124 17 N CA -0.031 53.043 53.050 0.040 0.000 0.843 17 N CB -0.119 38.386 38.487 0.031 0.000 1.024 17 N HN 0.237 nan 8.380 nan 0.000 0.501 18 Q N 0.842 120.698 119.800 0.093 0.000 2.566 18 Q HA 0.167 4.506 4.340 -0.000 0.000 0.221 18 Q C 0.640 176.723 176.000 0.139 0.000 1.195 18 Q CA -0.208 55.677 55.803 0.136 0.000 0.967 18 Q CB 1.041 29.913 28.738 0.223 0.000 1.337 18 Q HN 0.159 nan 8.270 nan 0.000 0.553 19 V N 2.009 121.967 119.914 0.073 0.000 2.261 19 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 19 V C 1.577 177.671 176.094 -0.001 0.000 1.047 19 V CA 2.057 64.376 62.300 0.031 0.000 1.015 19 V CB -0.135 31.688 31.823 0.000 0.000 0.642 19 V HN 0.632 nan 8.190 nan 0.000 0.446 20 E N -0.279 119.905 120.200 -0.027 0.000 2.085 20 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 20 E C 1.838 178.418 176.600 -0.033 0.000 0.994 20 E CA 1.534 57.820 56.400 -0.190 0.000 0.801 20 E CB -0.425 29.136 29.700 -0.232 0.000 0.743 20 E HN 0.616 nan 8.360 nan 0.000 0.453 21 F N 0.910 120.894 119.950 0.057 0.000 2.060 21 F HA -0.083 4.444 4.527 -0.000 0.000 0.295 21 F C 1.751 177.651 175.800 0.167 0.000 1.120 21 F CA 1.278 59.380 58.000 0.169 0.000 1.205 21 F CB -0.495 38.581 39.000 0.127 0.000 0.986 21 F HN -0.067 nan 8.300 nan 0.000 0.470 22 L N 0.174 121.304 121.223 -0.155 0.000 2.081 22 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 22 L C 2.662 179.568 176.870 0.061 0.000 1.080 22 L CA 1.889 56.675 54.840 -0.091 0.000 0.754 22 L CB -0.881 41.240 42.059 0.103 0.000 0.893 22 L HN 0.364 nan 8.230 nan 0.000 0.433 23 Q N -0.180 119.621 119.800 0.002 0.000 2.123 23 Q HA -0.182 4.158 4.340 -0.000 0.000 0.199 23 Q C 2.290 178.315 176.000 0.042 0.000 0.966 23 Q CA 1.486 57.279 55.803 -0.015 0.000 0.845 23 Q CB 0.022 28.707 28.738 -0.089 0.000 0.907 23 Q HN 0.542 nan 8.270 nan 0.000 0.439 24 A N 0.081 122.956 122.820 0.092 0.000 1.929 24 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 24 A C 1.744 179.455 177.584 0.212 0.000 1.176 24 A CA 0.811 53.004 52.037 0.260 0.000 0.628 24 A CB -0.709 18.662 19.000 0.618 0.000 0.816 24 A HN 0.553 nan 8.150 nan 0.000 0.444 25 F N 0.201 120.069 119.950 -0.136 0.000 2.051 25 F HA -0.163 4.364 4.527 -0.000 0.000 0.296 25 F C 2.181 177.969 175.800 -0.020 0.000 1.122 25 F CA 2.271 60.134 58.000 -0.228 0.000 1.201 25 F CB -0.866 37.786 39.000 -0.580 0.000 0.978 25 F HN 0.460 nan 8.300 nan 0.000 0.472 26 H N -0.197 118.822 119.070 -0.085 0.000 2.394 26 H HA -0.200 4.356 4.556 -0.000 0.000 0.297 26 H C 2.344 177.577 175.328 -0.158 0.000 1.113 26 H CA 2.139 58.048 56.048 -0.231 0.000 1.277 26 H CB -0.201 29.336 29.762 -0.375 0.000 1.370 26 H HN 0.259 nan 8.280 nan 0.000 0.506 27 E N 0.529 120.761 120.200 0.052 0.000 2.031 27 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 27 E C 2.392 178.949 176.600 -0.070 0.000 0.994 27 E CA 1.506 57.922 56.400 0.027 0.000 0.800 27 E CB -0.197 29.541 29.700 0.063 0.000 0.752 27 E HN 0.622 nan 8.360 nan 0.000 0.447 28 I N 0.493 120.994 120.570 -0.116 0.000 2.233 28 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 28 I C 2.580 178.472 176.117 -0.374 0.000 1.093 28 I CA 0.336 61.497 61.300 -0.232 0.000 1.380 28 I CB -0.297 37.586 38.000 -0.194 0.000 1.067 28 I HN 0.128 nan 8.210 nan 0.000 0.413 29 L N 0.865 121.786 121.223 -0.504 0.000 1.976 29 L HA -0.314 4.026 4.340 -0.000 0.000 0.223 29 L C 2.390 178.999 176.870 -0.434 0.000 1.081 29 L CA 2.283 56.768 54.840 -0.591 0.000 0.784 29 L CB -1.065 40.410 42.059 -0.973 0.000 0.896 29 L HN 0.168 nan 8.230 nan 0.000 0.438 30 Y N -1.026 119.059 120.300 -0.358 0.000 2.373 30 Y HA -0.136 4.414 4.550 -0.000 0.000 0.293 30 Y C 2.958 178.728 175.900 -0.218 0.000 1.129 30 Y CA 1.440 59.385 58.100 -0.260 0.000 1.226 30 Y CB -0.488 37.781 38.460 -0.319 0.000 1.000 30 Y HN 0.375 nan 8.280 nan 0.000 0.549 31 S N 0.023 115.641 115.700 -0.137 0.000 2.399 31 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 31 S C 1.763 176.188 174.600 -0.293 0.000 1.022 31 S CA 1.106 59.200 58.200 -0.176 0.000 0.983 31 S CB -0.389 62.698 63.200 -0.188 0.000 0.803 31 S HN 0.490 nan 8.310 nan 0.000 0.480 32 L N 1.016 121.964 121.223 -0.458 0.000 2.554 32 L HA 0.126 4.466 4.340 -0.000 0.000 0.226 32 L C 2.316 178.683 176.870 -0.839 0.000 1.137 32 L CA 0.454 54.823 54.840 -0.785 0.000 0.863 32 L CB -0.345 40.973 42.059 -1.234 0.000 0.985 32 L HN 0.326 nan 8.230 nan 0.000 0.451 33 K N 1.129 121.298 120.400 -0.384 0.000 2.127 33 K HA -0.236 4.084 4.320 -0.000 0.000 0.212 33 K C -0.600 175.916 176.600 -0.140 0.000 1.050 33 K CA 1.992 58.214 56.287 -0.108 0.000 0.929 33 K CB -0.758 31.741 32.500 -0.001 0.000 0.715 33 K HN 0.183 nan 8.250 nan 0.000 0.457 34 P HA -0.181 nan 4.420 nan 0.000 0.216 34 P C 1.250 178.532 177.300 -0.031 0.000 1.153 34 P CA 1.013 64.089 63.100 -0.041 0.000 0.858 34 P CB 0.013 31.706 31.700 -0.012 0.000 0.789 35 L N -1.700 119.316 121.223 -0.345 0.000 2.072 35 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 35 L C 2.201 179.018 176.870 -0.088 0.000 1.079 35 L CA 1.621 56.230 54.840 -0.385 0.000 0.752 35 L CB -1.254 40.344 42.059 -0.768 0.000 0.906 35 L HN -0.130 nan 8.230 nan 0.000 0.436 36 F N -1.388 118.553 119.950 -0.015 0.000 2.134 36 F HA -0.284 4.243 4.527 -0.000 0.000 0.299 36 F C 2.421 178.265 175.800 0.073 0.000 1.097 36 F CA 0.851 58.866 58.000 0.026 0.000 1.264 36 F CB -0.428 38.523 39.000 -0.082 0.000 1.001 36 F HN 0.064 nan 8.300 nan 0.000 0.479 37 M N -0.114 119.617 119.600 0.218 0.000 2.106 37 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 37 M C 2.163 178.676 176.300 0.355 0.000 1.068 37 M CA 1.658 57.086 55.300 0.214 0.000 1.100 37 M CB -0.904 31.791 32.600 0.158 0.000 1.351 37 M HN 0.149 nan 8.290 nan 0.000 0.404 38 E N 0.292 120.663 120.200 0.285 0.000 2.015 38 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 38 E C 0.387 177.140 176.600 0.255 0.000 0.991 38 E CA 1.006 57.573 56.400 0.278 0.000 0.802 38 E CB 0.103 30.025 29.700 0.370 0.000 0.759 38 E HN 0.362 nan 8.360 nan 0.000 0.447 39 E N 0.211 120.583 120.200 0.286 0.000 2.683 39 E HA 0.186 4.536 4.350 -0.000 0.000 0.224 39 E C -2.095 174.637 176.600 0.221 0.000 1.046 39 E CA -1.899 54.621 56.400 0.202 0.000 0.811 39 E CB 1.287 31.113 29.700 0.210 0.000 1.296 39 E HN -0.003 nan 8.360 nan 0.000 0.421 40 P HA -0.214 nan 4.420 nan 0.000 0.223 40 P C 1.294 178.655 177.300 0.102 0.000 1.144 40 P CA 1.244 64.465 63.100 0.203 0.000 0.783 40 P CB 0.210 32.046 31.700 0.227 0.000 0.771 41 K N -1.773 118.616 120.400 -0.018 0.000 2.280 41 K HA -0.155 4.165 4.320 -0.000 0.000 0.202 41 K C 0.694 177.204 176.600 -0.150 0.000 1.047 41 K CA 0.819 57.032 56.287 -0.123 0.000 0.942 41 K CB -0.750 31.591 32.500 -0.265 0.000 0.739 41 K HN 0.153 nan 8.250 nan 0.000 0.457 46 P HA -0.008 nan 4.420 nan 0.000 0.219 46 P C 1.615 179.046 177.300 0.218 0.000 1.150 46 P CA 1.313 64.520 63.100 0.178 0.000 0.814 46 P CB 0.248 32.143 31.700 0.326 0.000 0.787 47 I N -0.896 119.779 120.570 0.175 0.000 2.113 47 I HA -0.231 3.939 4.170 -0.000 0.000 0.238 47 I C 2.360 178.674 176.117 0.328 0.000 1.070 47 I CA 1.440 62.868 61.300 0.213 0.000 1.332 47 I CB -0.574 37.533 38.000 0.179 0.000 1.044 47 I HN -0.131 nan 8.210 nan 0.000 0.402 48 I N 0.664 121.533 120.570 0.497 0.000 2.335 48 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 48 I C 2.542 178.957 176.117 0.497 0.000 1.129 48 I CA 1.541 63.197 61.300 0.594 0.000 1.402 48 I CB -0.113 38.145 38.000 0.429 0.000 1.069 48 I HN 0.332 nan 8.210 nan 0.000 0.424 49 E N -0.284 120.114 120.200 0.330 0.000 2.106 49 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 49 E C 1.904 178.616 176.600 0.187 0.000 0.984 49 E CA 1.654 58.207 56.400 0.254 0.000 0.806 49 E CB 0.091 29.882 29.700 0.152 0.000 0.750 49 E HN 0.434 nan 8.360 nan 0.000 0.458 50 T N 1.027 115.696 114.554 0.193 0.000 2.851 50 T HA 0.005 4.355 4.350 -0.000 0.000 0.262 50 T C 1.771 176.543 174.700 0.119 0.000 1.043 50 T CA 0.575 62.751 62.100 0.127 0.000 1.140 50 T CB -0.016 68.924 68.868 0.121 0.000 0.872 50 T HN 0.153 nan 8.240 nan 0.000 0.446 51 L N 1.930 123.260 121.223 0.178 0.000 2.362 51 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 51 L C 2.555 179.783 176.870 0.596 0.000 1.134 51 L CA 0.899 55.895 54.840 0.260 0.000 0.807 51 L CB -0.697 41.528 42.059 0.275 0.000 0.927 51 L HN 0.337 nan 8.230 nan 0.000 0.447 52 S N -1.187 114.846 115.700 0.555 0.000 2.561 52 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 52 S C 0.724 175.574 174.600 0.417 0.000 0.977 52 S CA 0.026 58.510 58.200 0.472 0.000 0.926 52 S CB -0.208 62.964 63.200 -0.046 0.000 0.769 52 S HN 0.366 nan 8.310 nan 0.000 0.533 53 E N 2.635 123.006 120.200 0.286 0.000 2.073 53 E HA 0.447 4.797 4.350 -0.000 0.000 0.269 53 E C -2.948 173.652 176.600 0.000 0.000 0.917 53 E CA -2.795 53.651 56.400 0.076 0.000 0.757 53 E CB 0.835 30.551 29.700 0.027 0.000 1.111 53 E HN 0.095 nan 8.360 nan 0.000 0.410 54 P HA -0.090 nan 4.420 nan 0.000 0.261 54 P C -0.145 177.043 177.300 -0.186 0.000 1.173 54 P CA 0.462 63.230 63.100 -0.552 0.000 0.760 54 P CB 0.638 31.859 31.700 -0.798 0.000 0.783 55 E N 2.022 122.195 120.200 -0.045 0.000 2.204 55 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 55 E C 0.755 177.354 176.600 -0.001 0.000 0.990 55 E CA 1.030 57.466 56.400 0.061 0.000 0.821 55 E CB 0.090 29.941 29.700 0.252 0.000 0.750 55 E HN 0.326 nan 8.360 nan 0.000 0.477 56 R N -0.751 119.678 120.500 -0.117 0.000 2.560 56 R HA 0.429 4.769 4.340 -0.000 0.000 0.267 56 R C -2.124 174.045 176.300 -0.218 0.000 1.150 56 R CA -0.192 55.823 56.100 -0.142 0.000 0.997 56 R CB 1.524 31.756 30.300 -0.114 0.000 1.250 56 R HN 0.008 nan 8.270 nan 0.000 0.433 57 A N 6.008 128.724 122.820 -0.174 0.000 2.332 57 A HA 0.608 4.928 4.320 -0.000 0.000 0.300 57 A C -0.869 176.656 177.584 -0.099 0.000 1.153 57 A CA -0.639 51.309 52.037 -0.148 0.000 0.764 57 A CB 0.674 19.585 19.000 -0.148 0.000 1.174 57 A HN 0.620 nan 8.150 nan 0.000 0.467 58 I N 2.028 122.541 120.570 -0.095 0.000 2.362 58 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 58 I C 0.057 176.212 176.117 0.063 0.000 0.994 58 I CA -0.264 60.970 61.300 -0.109 0.000 1.158 58 I CB 1.868 39.641 38.000 -0.378 0.000 1.315 58 I HN 0.778 nan 8.210 nan 0.000 0.451 59 Q N 7.830 127.661 119.800 0.052 0.000 2.322 59 Q HA 0.608 4.947 4.340 -0.000 0.000 0.265 59 Q C -1.648 174.383 176.000 0.052 0.000 0.985 59 Q CA -0.646 55.144 55.803 -0.023 0.000 0.849 59 Q CB 1.623 30.317 28.738 -0.073 0.000 1.274 59 Q HN 0.605 nan 8.270 nan 0.000 0.449 60 F N 0.221 120.005 119.950 -0.275 0.000 2.599 60 F HA 0.641 5.168 4.527 -0.000 0.000 0.311 60 F C -0.906 174.794 175.800 -0.167 0.000 1.076 60 F CA -1.414 56.469 58.000 -0.195 0.000 0.937 60 F CB 1.291 40.181 39.000 -0.184 0.000 1.282 60 F HN 0.391 nan 8.300 nan 0.000 0.460 61 R N 1.631 122.142 120.500 0.018 0.000 2.410 61 R HA 0.749 5.089 4.340 -0.000 0.000 0.288 61 R C -1.832 174.494 176.300 0.043 0.000 1.051 61 R CA -0.569 55.518 56.100 -0.021 0.000 1.021 61 R CB 1.561 31.873 30.300 0.019 0.000 1.032 61 R HN 0.755 nan 8.270 nan 0.000 0.481 62 V N 4.520 124.466 119.914 0.054 0.000 2.567 62 V HA 0.279 4.399 4.120 -0.000 0.000 0.298 62 V C -0.767 175.484 176.094 0.262 0.000 1.047 62 V CA -0.779 61.595 62.300 0.122 0.000 0.880 62 V CB 1.696 33.539 31.823 0.033 0.000 1.009 62 V HN 0.891 nan 8.190 nan 0.000 0.429 63 C N 6.068 125.502 119.300 0.223 0.000 2.376 63 C HA 0.859 5.318 4.460 -0.000 0.000 0.335 63 C C -0.593 174.596 174.990 0.332 0.000 1.229 63 C CA -0.665 58.488 59.018 0.224 0.000 1.867 63 C CB 0.943 28.735 27.740 0.088 0.000 2.319 63 C HN 0.969 nan 8.230 nan 0.000 0.515 64 W N 1.816 123.177 121.300 0.101 0.000 3.213 64 W HA 0.607 5.267 4.660 -0.000 0.000 0.318 64 W C -2.300 174.278 176.519 0.099 0.000 1.248 64 W CA -1.582 55.823 57.345 0.101 0.000 1.187 64 W CB 0.071 29.627 29.460 0.161 0.000 1.403 64 W HN 0.401 nan 8.180 nan 0.000 0.556 65 L N 3.750 125.043 121.223 0.118 0.000 2.290 65 L HA 0.166 4.506 4.340 -0.000 0.000 0.284 65 L C 0.696 177.585 176.870 0.031 0.000 1.078 65 L CA -0.266 54.553 54.840 -0.035 0.000 0.815 65 L CB 0.372 42.454 42.059 0.038 0.000 1.162 65 L HN 0.360 nan 8.230 nan 0.000 0.435 66 D N 0.451 120.734 120.400 -0.195 0.000 2.411 66 D HA 0.011 4.651 4.640 -0.000 0.000 0.251 66 D C 0.307 176.656 176.300 0.082 0.000 1.201 66 D CA -0.587 53.408 54.000 -0.008 0.000 0.996 66 D CB 0.663 41.375 40.800 -0.146 0.000 1.101 66 D HN 0.329 nan 8.370 nan 0.000 0.504 67 D N -1.287 119.192 120.400 0.131 0.000 2.403 67 D HA -0.061 4.579 4.640 -0.000 0.000 0.227 67 D C 0.290 176.619 176.300 0.048 0.000 0.995 67 D CA 0.595 54.652 54.000 0.095 0.000 0.928 67 D CB -0.434 40.428 40.800 0.104 0.000 0.887 67 D HN 0.449 nan 8.370 nan 0.000 0.529 68 N N -1.269 117.444 118.700 0.022 0.000 2.205 68 N HA 0.170 4.910 4.740 -0.000 0.000 0.201 68 N C 1.203 176.707 175.510 -0.010 0.000 1.128 68 N CA 0.305 53.357 53.050 0.003 0.000 0.867 68 N CB 1.385 39.867 38.487 -0.008 0.000 0.996 68 N HN 0.108 nan 8.380 nan 0.000 0.503 69 G N 0.785 109.576 108.800 -0.014 0.000 2.213 69 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.236 69 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.236 69 G C 0.121 174.990 174.900 -0.053 0.000 0.991 69 G CA -0.204 44.883 45.100 -0.022 0.000 0.629 69 G HN 0.123 nan 8.290 nan 0.000 0.517 70 V N 2.198 122.066 119.914 -0.078 0.000 2.521 70 V HA 0.336 4.456 4.120 -0.000 0.000 0.286 70 V C 1.008 176.994 176.094 -0.180 0.000 1.034 70 V CA 0.418 62.653 62.300 -0.110 0.000 1.045 70 V CB 1.536 33.293 31.823 -0.111 0.000 0.974 70 V HN 0.580 nan 8.190 nan 0.000 0.480 71 Q N 5.552 125.258 119.800 -0.158 0.000 2.332 71 Q HA 0.244 4.584 4.340 -0.000 0.000 0.263 71 Q C -0.336 175.485 176.000 -0.299 0.000 0.979 71 Q CA -0.189 55.494 55.803 -0.200 0.000 0.885 71 Q CB 0.554 29.224 28.738 -0.113 0.000 1.218 71 Q HN 0.603 nan 8.270 nan 0.000 0.405 72 R N 2.889 123.085 120.500 -0.506 0.000 2.902 72 R HA 0.555 4.894 4.340 -0.000 0.000 0.258 72 R C -0.969 175.173 176.300 -0.265 0.000 1.071 72 R CA -0.817 54.950 56.100 -0.554 0.000 1.024 72 R CB 1.621 31.203 30.300 -1.195 0.000 1.184 72 R HN 0.606 nan 8.270 nan 0.000 0.492 73 K N 1.498 121.880 120.400 -0.031 0.000 2.468 73 K HA 0.413 4.732 4.320 -0.000 0.000 0.252 73 K C -1.396 175.353 176.600 0.249 0.000 0.932 73 K CA -0.496 55.870 56.287 0.133 0.000 0.794 73 K CB 1.779 34.312 32.500 0.054 0.000 1.241 73 K HN 0.588 nan 8.250 nan 0.000 0.428 74 N N 1.094 119.979 118.700 0.307 0.000 2.242 74 N HA 0.322 5.062 4.740 -0.000 0.000 0.292 74 N C -1.631 173.935 175.510 0.094 0.000 1.125 74 N CA -0.831 52.374 53.050 0.258 0.000 0.783 74 N CB 2.193 40.925 38.487 0.409 0.000 1.558 74 N HN 0.443 nan 8.380 nan 0.000 0.472 75 R N 1.536 122.041 120.500 0.008 0.000 2.297 75 R HA 0.638 4.978 4.340 -0.000 0.000 0.308 75 R C -1.197 174.885 176.300 -0.363 0.000 1.029 75 R CA -0.262 55.715 56.100 -0.206 0.000 0.929 75 R CB 0.199 30.405 30.300 -0.157 0.000 1.046 75 R HN 0.610 nan 8.270 nan 0.000 0.461 76 C N 4.112 122.945 119.300 -0.778 0.000 2.667 76 C HA 0.722 5.181 4.460 -0.000 0.000 0.323 76 C C -0.977 173.365 174.990 -1.079 0.000 1.214 76 C CA -0.706 57.808 59.018 -0.840 0.000 1.721 76 C CB 1.008 27.925 27.740 -1.373 0.000 2.275 76 C HN 0.799 nan 8.230 nan 0.000 0.491 77 F N 0.160 120.103 119.950 -0.011 0.000 2.675 77 F HA 0.830 5.357 4.527 -0.000 0.000 0.324 77 F C 0.054 176.055 175.800 0.335 0.000 1.106 77 F CA -0.878 57.219 58.000 0.160 0.000 0.970 77 F CB 1.229 40.304 39.000 0.125 0.000 1.385 77 F HN 0.371 nan 8.300 nan 0.000 0.489 78 R N 0.925 121.680 120.500 0.425 0.000 3.090 78 R HA 0.411 4.751 4.340 -0.000 0.000 0.264 78 R C -2.545 173.798 176.300 0.072 0.000 1.380 78 R CA -0.112 56.137 56.100 0.249 0.000 0.952 78 R CB 0.490 30.901 30.300 0.186 0.000 1.428 78 R HN 0.457 nan 8.270 nan 0.000 0.371 79 V N 5.540 125.486 119.914 0.052 0.000 2.353 79 V HA 0.288 4.408 4.120 -0.000 0.000 0.264 79 V C 0.287 176.286 176.094 -0.158 0.000 1.049 79 V CA -0.170 62.082 62.300 -0.081 0.000 0.896 79 V CB 1.381 33.167 31.823 -0.061 0.000 1.025 79 V HN 0.570 nan 8.190 nan 0.000 0.475 80 Q N 4.474 124.055 119.800 -0.366 0.000 2.681 80 Q HA 0.224 4.564 4.340 -0.000 0.000 0.222 80 Q C 0.154 175.850 176.000 -0.506 0.000 1.258 80 Q CA -0.167 55.146 55.803 -0.816 0.000 1.014 80 Q CB 0.470 28.390 28.738 -1.363 0.000 1.384 80 Q HN 0.814 nan 8.270 nan 0.000 0.570 81 Y N 1.699 121.927 120.300 -0.120 0.000 2.062 81 Y HA -0.195 4.355 4.550 -0.000 0.000 0.272 81 Y C 1.185 177.213 175.900 0.213 0.000 1.117 81 Y CA 1.224 59.366 58.100 0.070 0.000 1.095 81 Y CB 0.476 38.987 38.460 0.085 0.000 0.985 81 Y HN 0.441 nan 8.280 nan 0.000 0.479 82 N N -0.942 118.073 118.700 0.525 0.000 2.238 82 N HA 0.130 4.870 4.740 -0.000 0.000 0.302 82 N C -0.889 174.787 175.510 0.276 0.000 1.072 82 N CA 0.469 53.739 53.050 0.367 0.000 0.792 82 N CB 1.865 40.426 38.487 0.124 0.000 1.425 82 N HN 0.179 nan 8.380 nan 0.000 0.478 83 S N 0.858 116.659 115.700 0.167 0.000 2.855 83 S HA 0.274 4.743 4.470 -0.000 0.000 0.249 83 S C 1.072 175.683 174.600 0.020 0.000 1.033 83 S CA -0.124 57.999 58.200 -0.128 0.000 1.038 83 S CB 0.425 63.442 63.200 -0.305 0.000 0.960 83 S HN 0.552 nan 8.310 nan 0.000 0.548 84 A N 2.066 124.964 122.820 0.130 0.000 1.897 84 A HA 0.315 4.635 4.320 -0.000 0.000 0.215 84 A C 1.875 179.490 177.584 0.051 0.000 1.181 84 A CA 0.969 53.101 52.037 0.159 0.000 0.620 84 A CB -0.560 18.569 19.000 0.214 0.000 0.821 84 A HN 0.560 nan 8.150 nan 0.000 0.443 85 L N -1.768 119.459 121.223 0.008 0.000 2.567 85 L HA 0.369 4.709 4.340 -0.000 0.000 0.225 85 L C 1.096 177.947 176.870 -0.032 0.000 1.119 85 L CA 0.355 55.187 54.840 -0.012 0.000 0.871 85 L CB -0.039 42.009 42.059 -0.019 0.000 1.036 85 L HN 0.570 nan 8.230 nan 0.000 0.459 86 G N -1.118 107.646 108.800 -0.061 0.000 2.324 86 G HA2 0.136 4.096 3.960 -0.000 0.000 0.293 86 G HA3 0.136 4.096 3.960 -0.000 0.000 0.293 86 G C -3.124 171.696 174.900 -0.133 0.000 1.297 86 G CA -0.944 44.112 45.100 -0.073 0.000 0.853 86 G HN -0.352 nan 8.290 nan 0.000 0.535 87 P HA 0.264 nan 4.420 nan 0.000 0.266 87 P C -0.477 176.772 177.300 -0.084 0.000 1.195 87 P CA 0.142 63.168 63.100 -0.123 0.000 0.768 87 P CB 0.016 31.728 31.700 0.020 0.000 0.838 88 Y N 1.756 122.096 120.300 0.068 0.000 2.810 88 Y HA 0.013 4.563 4.550 -0.000 0.000 0.332 88 Y C 1.309 177.240 175.900 0.053 0.000 1.243 88 Y CA 0.582 58.721 58.100 0.064 0.000 1.537 88 Y CB 0.083 38.590 38.460 0.079 0.000 1.265 88 Y HN 0.064 nan 8.280 nan 0.000 0.572 89 K N 2.639 123.146 120.400 0.177 0.000 2.463 89 K HA 0.714 5.034 4.320 -0.000 0.000 0.255 89 K C -0.374 176.276 176.600 0.083 0.000 0.942 89 K CA -0.637 55.710 56.287 0.101 0.000 0.814 89 K CB 1.912 34.442 32.500 0.051 0.000 1.122 89 K HN 0.899 nan 8.250 nan 0.000 0.425 90 G N 0.850 109.693 108.800 0.073 0.000 2.498 90 G HA2 0.436 4.396 3.960 -0.000 0.000 0.301 90 G HA3 0.436 4.396 3.960 -0.000 0.000 0.301 90 G C -0.480 174.450 174.900 0.051 0.000 1.577 90 G CA -0.558 44.575 45.100 0.054 0.000 0.868 90 G HN 0.545 nan 8.290 nan 0.000 0.599 91 G N -0.818 107.996 108.800 0.023 0.000 2.621 91 G HA2 0.588 4.548 3.960 -0.000 0.000 0.271 91 G HA3 0.588 4.548 3.960 -0.000 0.000 0.271 91 G C -0.150 174.772 174.900 0.038 0.000 1.236 91 G CA -0.669 44.435 45.100 0.008 0.000 0.958 91 G HN 0.706 nan 8.290 nan 0.000 0.512 92 L N -0.361 120.855 121.223 -0.011 0.000 2.334 92 L HA 0.593 4.933 4.340 -0.000 0.000 0.276 92 L C 0.314 177.120 176.870 -0.107 0.000 1.014 92 L CA -0.788 54.050 54.840 -0.003 0.000 0.815 92 L CB 2.083 44.100 42.059 -0.069 0.000 1.268 92 L HN 0.501 nan 8.230 nan 0.000 0.428 93 R N 3.036 123.565 120.500 0.048 0.000 2.451 93 R HA 0.454 4.794 4.340 -0.000 0.000 0.307 93 R C -1.665 174.862 176.300 0.378 0.000 0.965 93 R CA -0.344 55.809 56.100 0.090 0.000 0.865 93 R CB 0.914 31.286 30.300 0.120 0.000 1.174 93 R HN 0.503 nan 8.270 nan 0.000 0.455 94 F N 4.537 124.565 119.950 0.129 0.000 2.313 94 F HA 0.295 4.822 4.527 -0.000 0.000 0.369 94 F C -0.064 175.861 175.800 0.209 0.000 1.109 94 F CA -0.895 57.207 58.000 0.170 0.000 1.132 94 F CB 1.004 40.122 39.000 0.198 0.000 1.291 94 F HN 0.567 nan 8.300 nan 0.000 0.496 95 H N 4.299 123.515 119.070 0.242 0.000 3.087 95 H HA 0.238 4.794 4.556 -0.000 0.000 0.348 95 H C -2.284 173.101 175.328 0.095 0.000 1.092 95 H CA -1.669 54.456 56.048 0.128 0.000 1.285 95 H CB 2.467 32.300 29.762 0.119 0.000 1.875 95 H HN 0.079 nan 8.280 nan 0.000 0.512 96 P HA -0.226 nan 4.420 nan 0.000 0.218 96 P C 0.789 178.079 177.300 -0.016 0.000 1.150 96 P CA 2.208 65.210 63.100 -0.164 0.000 0.841 96 P CB 0.248 31.793 31.700 -0.257 0.000 0.784 97 S N -2.886 112.851 115.700 0.062 0.000 2.577 97 S HA 0.115 4.585 4.470 -0.000 0.000 0.219 97 S C 0.626 175.334 174.600 0.180 0.000 0.962 97 S CA -0.389 57.902 58.200 0.151 0.000 0.921 97 S CB -0.896 62.426 63.200 0.203 0.000 0.789 97 S HN -0.162 nan 8.310 nan 0.000 0.497 98 V N 4.012 124.053 119.914 0.212 0.000 2.740 98 V HA 0.307 4.427 4.120 -0.000 0.000 0.303 98 V C 0.298 176.470 176.094 0.131 0.000 1.054 98 V CA 0.128 62.540 62.300 0.186 0.000 1.106 98 V CB 0.107 32.092 31.823 0.270 0.000 0.957 98 V HN 0.885 nan 8.190 nan 0.000 0.486 99 N N 2.685 121.334 118.700 -0.084 0.000 3.046 99 N HA 0.256 4.996 4.740 -0.000 0.000 0.243 99 N C 0.292 175.385 175.510 -0.696 0.000 1.452 99 N CA -1.029 51.873 53.050 -0.247 0.000 0.882 99 N CB 1.214 39.701 38.487 -0.000 0.000 1.425 99 N HN 0.292 nan 8.380 nan 0.000 0.517 100 L N 1.447 122.225 121.223 -0.742 0.000 1.963 100 L HA -0.218 4.122 4.340 -0.000 0.000 0.220 100 L C 2.563 179.271 176.870 -0.270 0.000 1.076 100 L CA 2.636 57.139 54.840 -0.562 0.000 0.772 100 L CB -1.157 40.829 42.059 -0.123 0.000 0.892 100 L HN 0.888 nan 8.230 nan 0.000 0.435 101 S N -0.724 114.912 115.700 -0.106 0.000 2.380 101 S HA -0.276 4.194 4.470 -0.000 0.000 0.229 101 S C 2.067 176.748 174.600 0.135 0.000 1.050 101 S CA 2.273 60.495 58.200 0.036 0.000 1.100 101 S CB -0.604 62.646 63.200 0.082 0.000 0.984 101 S HN 0.477 nan 8.310 nan 0.000 0.434 102 I N 0.991 121.623 120.570 0.103 0.000 2.286 102 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 102 I C 2.242 178.496 176.117 0.228 0.000 1.115 102 I CA 0.966 62.416 61.300 0.249 0.000 1.392 102 I CB -0.330 37.778 38.000 0.180 0.000 1.065 102 I HN 0.233 nan 8.210 nan 0.000 0.418 103 V N 0.605 120.530 119.914 0.019 0.000 2.427 103 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 103 V C 2.453 178.606 176.094 0.098 0.000 1.051 103 V CA 1.671 63.973 62.300 0.005 0.000 1.048 103 V CB -0.624 31.098 31.823 -0.169 0.000 0.666 103 V HN 0.379 nan 8.190 nan 0.000 0.456 104 K N -0.477 119.982 120.400 0.097 0.000 2.148 104 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 104 K C 2.095 178.972 176.600 0.462 0.000 1.050 104 K CA 1.448 57.855 56.287 0.199 0.000 0.942 104 K CB -0.190 32.214 32.500 -0.160 0.000 0.724 104 K HN 0.452 nan 8.250 nan 0.000 0.446 105 F N 1.345 121.485 119.950 0.318 0.000 2.146 105 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 105 F C 1.395 177.369 175.800 0.290 0.000 1.096 105 F CA 1.267 59.490 58.000 0.373 0.000 1.275 105 F CB -0.241 38.917 39.000 0.264 0.000 1.008 105 F HN -0.084 nan 8.300 nan 0.000 0.480 106 L N -0.073 120.969 121.223 -0.300 0.000 2.179 106 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 106 L C 2.755 179.546 176.870 -0.133 0.000 1.096 106 L CA 0.938 55.524 54.840 -0.423 0.000 0.779 106 L CB -1.410 40.512 42.059 -0.229 0.000 0.922 106 L HN 0.337 nan 8.230 nan 0.000 0.443 107 G N -0.253 108.583 108.800 0.059 0.000 2.394 107 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.215 107 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.215 107 G C 1.472 176.315 174.900 -0.094 0.000 1.165 107 G CA 0.224 45.404 45.100 0.134 0.000 0.784 107 G HN 0.224 nan 8.290 nan 0.000 0.535 108 F N 1.857 121.637 119.950 -0.283 0.000 2.134 108 F HA 0.003 4.529 4.527 -0.000 0.000 0.299 108 F C 2.654 178.356 175.800 -0.164 0.000 1.097 108 F CA 1.679 59.402 58.000 -0.462 0.000 1.264 108 F CB 0.077 39.083 39.000 0.011 0.000 1.001 108 F HN 0.220 nan 8.300 nan 0.000 0.479 109 E N -0.793 119.392 120.200 -0.024 0.000 2.216 109 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 109 E C 2.030 178.545 176.600 -0.142 0.000 0.988 109 E CA 0.335 56.732 56.400 -0.005 0.000 0.834 109 E CB -0.287 29.425 29.700 0.020 0.000 0.772 109 E HN 0.460 nan 8.360 nan 0.000 0.479 110 Q N 0.763 120.449 119.800 -0.191 0.000 2.226 110 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 110 Q C 2.232 178.080 176.000 -0.254 0.000 0.975 110 Q CA 0.729 56.433 55.803 -0.165 0.000 0.866 110 Q CB -0.112 28.567 28.738 -0.099 0.000 0.915 110 Q HN 0.418 nan 8.270 nan 0.000 0.440 111 I N -0.204 120.070 120.570 -0.493 0.000 2.076 111 I HA -0.309 3.861 4.170 -0.000 0.000 0.237 111 I C 1.936 177.662 176.117 -0.652 0.000 1.059 111 I CA 1.495 62.380 61.300 -0.690 0.000 1.317 111 I CB -0.590 36.655 38.000 -1.259 0.000 1.037 111 I HN 0.100 nan 8.210 nan 0.000 0.398 112 F N 0.837 120.669 119.950 -0.196 0.000 2.269 112 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 112 F C 2.539 178.280 175.800 -0.100 0.000 1.082 112 F CA 1.147 59.061 58.000 -0.142 0.000 1.360 112 F CB -0.499 38.403 39.000 -0.164 0.000 1.041 112 F HN 0.016 nan 8.300 nan 0.000 0.512 113 K N 0.938 121.320 120.400 -0.029 0.000 2.031 113 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 113 K C 1.663 178.242 176.600 -0.034 0.000 1.049 113 K CA 1.505 57.776 56.287 -0.025 0.000 0.939 113 K CB -0.227 32.246 32.500 -0.046 0.000 0.717 113 K HN 0.302 nan 8.250 nan 0.000 0.438 114 N N -0.041 118.619 118.700 -0.066 0.000 2.120 114 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 114 N C 1.793 177.283 175.510 -0.032 0.000 1.024 114 N CA 1.126 54.148 53.050 -0.046 0.000 0.852 114 N CB -0.077 38.374 38.487 -0.060 0.000 1.003 114 N HN 0.111 nan 8.380 nan 0.000 0.424 115 S N 0.975 116.647 115.700 -0.047 0.000 2.383 115 S HA -0.034 4.436 4.470 -0.000 0.000 0.229 115 S C 1.810 176.415 174.600 0.008 0.000 1.030 115 S CA 0.780 58.968 58.200 -0.019 0.000 1.002 115 S CB -0.180 63.016 63.200 -0.007 0.000 0.829 115 S HN 0.248 nan 8.310 nan 0.000 0.467 116 L N 1.253 122.486 121.223 0.017 0.000 2.291 116 L HA -0.028 4.312 4.340 -0.000 0.000 0.214 116 L C 2.751 179.641 176.870 0.033 0.000 1.120 116 L CA 1.475 56.331 54.840 0.026 0.000 0.799 116 L CB -0.783 41.289 42.059 0.023 0.000 0.925 116 L HN 0.558 nan 8.230 nan 0.000 0.446 117 T N -3.749 110.822 114.554 0.027 0.000 3.007 117 T HA -0.021 4.329 4.350 -0.000 0.000 0.270 117 T C 1.626 176.352 174.700 0.044 0.000 1.107 117 T CA 0.902 63.026 62.100 0.040 0.000 1.118 117 T CB 0.014 68.902 68.868 0.034 0.000 0.889 117 T HN 0.507 nan 8.240 nan 0.000 0.506 118 G N 1.077 109.897 108.800 0.033 0.000 2.284 118 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.247 118 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.247 118 G C 0.137 175.054 174.900 0.028 0.000 1.012 118 G CA 0.264 45.382 45.100 0.030 0.000 0.618 118 G HN 0.643 nan 8.290 nan 0.000 0.521 119 L N 0.675 121.919 121.223 0.034 0.000 2.464 119 L HA 0.531 4.871 4.340 -0.000 0.000 0.224 119 L C 0.982 177.866 176.870 0.023 0.000 1.219 119 L CA -0.117 54.746 54.840 0.038 0.000 0.831 119 L CB 0.458 42.549 42.059 0.053 0.000 1.284 119 L HN 0.092 nan 8.230 nan 0.000 0.522 120 S N 1.444 117.159 115.700 0.025 0.000 2.592 120 S HA 0.573 5.043 4.470 -0.000 0.000 0.305 120 S C -0.410 174.197 174.600 0.010 0.000 1.118 120 S CA -0.341 57.864 58.200 0.007 0.000 1.075 120 S CB -0.256 62.940 63.200 -0.006 0.000 1.107 120 S HN 0.320 nan 8.310 nan 0.000 0.503 121 M N 1.808 121.409 119.600 0.000 0.000 2.378 121 M HA 0.444 4.923 4.480 -0.000 0.000 0.289 121 M C 0.564 176.850 176.300 -0.022 0.000 1.136 121 M CA -0.724 54.576 55.300 -0.000 0.000 0.917 121 M CB 2.167 34.774 32.600 0.013 0.000 1.669 121 M HN 0.562 nan 8.290 nan 0.000 0.461 122 G N 1.074 109.859 108.800 -0.026 0.000 2.582 122 G HA2 0.777 4.737 3.960 -0.000 0.000 0.232 122 G HA3 0.777 4.737 3.960 -0.000 0.000 0.232 122 G C -0.467 174.449 174.900 0.026 0.000 1.458 122 G CA -0.456 44.631 45.100 -0.022 0.000 1.062 122 G HN 0.821 nan 8.290 nan 0.000 0.566 123 G N -1.659 107.214 108.800 0.123 0.000 2.732 123 G HA2 0.663 4.622 3.960 -0.000 0.000 0.295 123 G HA3 0.663 4.622 3.960 -0.000 0.000 0.295 123 G C -0.499 174.544 174.900 0.238 0.000 1.456 123 G CA 0.389 45.546 45.100 0.095 0.000 1.050 123 G HN 1.087 nan 8.290 nan 0.000 0.525 124 G N 0.019 108.925 108.800 0.177 0.000 2.788 124 G HA2 0.802 4.762 3.960 -0.000 0.000 0.293 124 G HA3 0.802 4.762 3.960 -0.000 0.000 0.293 124 G C -1.553 173.425 174.900 0.130 0.000 1.392 124 G CA -0.826 44.376 45.100 0.170 0.000 0.810 124 G HN 0.744 nan 8.290 nan 0.000 0.508 125 K N -2.177 118.301 120.400 0.130 0.000 2.736 125 K HA 0.643 4.963 4.320 -0.000 0.000 0.290 125 K C -0.508 176.196 176.600 0.174 0.000 1.033 125 K CA 0.351 56.716 56.287 0.129 0.000 0.852 125 K CB 1.486 34.052 32.500 0.111 0.000 1.494 125 K HN 1.657 nan 8.250 nan 0.000 0.378 126 G N -0.383 108.549 108.800 0.220 0.000 2.441 126 G HA2 0.644 4.604 3.960 -0.000 0.000 0.294 126 G HA3 0.644 4.604 3.960 -0.000 0.000 0.294 126 G C -0.793 174.350 174.900 0.406 0.000 1.393 126 G CA 0.067 45.381 45.100 0.357 0.000 0.796 126 G HN 1.179 nan 8.290 nan 0.000 0.494 127 G N -1.623 107.538 108.800 0.602 0.000 2.333 127 G HA2 0.648 4.608 3.960 -0.000 0.000 0.288 127 G HA3 0.648 4.608 3.960 -0.000 0.000 0.288 127 G C -1.216 174.099 174.900 0.692 0.000 1.286 127 G CA 0.853 46.323 45.100 0.616 0.000 0.865 127 G HN 1.846 nan 8.290 nan 0.000 0.506 128 S N -1.145 114.909 115.700 0.590 0.000 2.564 128 S HA 0.518 4.988 4.470 -0.000 0.000 0.274 128 S C -0.482 174.292 174.600 0.290 0.000 1.124 128 S CA 0.419 58.831 58.200 0.354 0.000 0.869 128 S CB 1.754 65.009 63.200 0.091 0.000 1.105 128 S HN 0.980 nan 8.310 nan 0.000 0.472 129 D N 1.711 122.250 120.400 0.231 0.000 2.344 129 D HA 0.058 4.698 4.640 -0.000 0.000 0.242 129 D C 0.110 176.443 176.300 0.056 0.000 1.159 129 D CA -0.252 53.847 54.000 0.165 0.000 0.859 129 D CB -0.659 40.240 40.800 0.165 0.000 0.925 129 D HN 0.307 nan 8.370 nan 0.000 0.510 130 F N 1.768 121.578 119.950 -0.234 0.000 2.504 130 F HA 0.220 4.747 4.527 -0.000 0.000 0.369 130 F C 0.054 175.663 175.800 -0.318 0.000 1.082 130 F CA -0.782 56.910 58.000 -0.513 0.000 1.216 130 F CB 0.703 38.848 39.000 -1.424 0.000 1.108 130 F HN -0.245 nan 8.300 nan 0.000 0.554 131 D N 8.691 128.627 120.400 -0.774 0.000 2.396 131 D HA 0.279 4.919 4.640 -0.000 0.000 0.225 131 D C -1.984 173.821 176.300 -0.824 0.000 1.121 131 D CA -2.407 51.243 54.000 -0.583 0.000 0.853 131 D CB 1.779 42.359 40.800 -0.367 0.000 1.043 131 D HN 0.287 nan 8.370 nan 0.000 0.500 132 P HA -0.055 nan 4.420 nan 0.000 0.219 132 P C -0.257 176.941 177.300 -0.170 0.000 1.150 132 P CA 0.702 63.631 63.100 -0.285 0.000 0.814 132 P CB 0.229 31.971 31.700 0.069 0.000 0.787 133 K N 0.152 120.477 120.400 -0.126 0.000 2.491 133 K HA 0.212 4.532 4.320 -0.000 0.000 0.279 133 K C 1.219 177.773 176.600 -0.077 0.000 1.026 133 K CA 1.024 57.270 56.287 -0.068 0.000 1.070 133 K CB -0.620 31.849 32.500 -0.051 0.000 0.887 133 K HN 0.204 nan 8.250 nan 0.000 0.481 134 G N 2.013 110.795 108.800 -0.030 0.000 2.176 134 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 134 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 134 G C -0.223 174.680 174.900 0.004 0.000 0.979 134 G CA 0.042 45.133 45.100 -0.014 0.000 0.641 134 G HN 0.451 nan 8.290 nan 0.000 0.530 135 K N 1.277 121.677 120.400 0.001 0.000 2.110 135 K HA 0.670 4.990 4.320 -0.000 0.000 0.263 135 K C 0.929 177.584 176.600 0.091 0.000 0.975 135 K CA 0.238 56.557 56.287 0.053 0.000 0.895 135 K CB 1.393 33.910 32.500 0.028 0.000 1.060 135 K HN 0.434 nan 8.250 nan 0.000 0.448 136 S N 0.015 115.788 115.700 0.121 0.000 2.624 136 S HA 0.053 4.523 4.470 -0.000 0.000 0.263 136 S C 0.792 175.478 174.600 0.144 0.000 1.287 136 S CA -0.178 58.093 58.200 0.118 0.000 0.990 136 S CB 0.942 64.213 63.200 0.117 0.000 0.950 136 S HN 0.655 nan 8.310 nan 0.000 0.561 137 D N 0.437 120.922 120.400 0.143 0.000 2.117 137 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 137 D C 1.738 178.136 176.300 0.164 0.000 0.982 137 D CA 1.160 55.275 54.000 0.190 0.000 0.828 137 D CB -0.169 40.745 40.800 0.189 0.000 0.967 137 D HN 0.551 nan 8.370 nan 0.000 0.464 138 N N 0.228 118.995 118.700 0.111 0.000 2.334 138 N HA -0.157 4.583 4.740 -0.000 0.000 0.187 138 N C 1.367 176.950 175.510 0.121 0.000 1.016 138 N CA 0.841 53.936 53.050 0.075 0.000 0.879 138 N CB 0.015 38.548 38.487 0.076 0.000 0.965 138 N HN 0.470 nan 8.380 nan 0.000 0.438 139 E N 0.279 120.588 120.200 0.181 0.000 2.102 139 E HA 0.095 4.445 4.350 -0.000 0.000 0.190 139 E C 2.044 178.732 176.600 0.146 0.000 0.971 139 E CA 0.199 56.746 56.400 0.245 0.000 0.821 139 E CB 0.122 30.024 29.700 0.336 0.000 0.777 139 E HN 0.267 nan 8.360 nan 0.000 0.460 140 I N 1.131 121.828 120.570 0.212 0.000 2.335 140 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 140 I C 2.393 178.640 176.117 0.217 0.000 1.129 140 I CA 0.569 62.032 61.300 0.272 0.000 1.402 140 I CB -0.142 38.062 38.000 0.340 0.000 1.069 140 I HN 0.167 nan 8.210 nan 0.000 0.424 141 L N 1.124 122.431 121.223 0.140 0.000 1.988 141 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 141 L C 2.431 179.274 176.870 -0.045 0.000 1.071 141 L CA 1.891 56.686 54.840 -0.075 0.000 0.744 141 L CB -0.587 41.201 42.059 -0.452 0.000 0.893 141 L HN 0.021 nan 8.230 nan 0.000 0.433 142 K N -1.123 119.281 120.400 0.008 0.000 2.103 142 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 142 K C 2.097 178.695 176.600 -0.003 0.000 1.048 142 K CA 1.953 58.279 56.287 0.065 0.000 0.930 142 K CB -0.509 32.129 32.500 0.230 0.000 0.716 142 K HN 0.330 nan 8.250 nan 0.000 0.444 143 F N 1.041 120.784 119.950 -0.345 0.000 2.206 143 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 143 F C 2.045 177.597 175.800 -0.414 0.000 1.090 143 F CA 0.904 58.462 58.000 -0.736 0.000 1.323 143 F CB -0.248 37.690 39.000 -1.771 0.000 1.028 143 F HN -0.024 nan 8.300 nan 0.000 0.492 144 C N 0.495 119.675 119.300 -0.200 0.000 2.435 144 C HA -0.141 4.319 4.460 -0.000 0.000 0.279 144 C C 2.680 177.673 174.990 0.006 0.000 1.321 144 C CA 1.159 60.162 59.018 -0.026 0.000 1.752 144 C CB -1.098 26.775 27.740 0.222 0.000 1.959 144 C HN 0.545 nan 8.230 nan 0.000 0.500 145 Q N 0.232 120.014 119.800 -0.030 0.000 2.187 145 Q HA -0.012 4.328 4.340 -0.000 0.000 0.199 145 Q C 2.452 178.443 176.000 -0.016 0.000 0.957 145 Q CA 1.394 57.196 55.803 -0.001 0.000 0.857 145 Q CB -0.244 28.483 28.738 -0.018 0.000 0.929 145 Q HN 0.716 nan 8.270 nan 0.000 0.453 146 A N 0.736 123.501 122.820 -0.092 0.000 1.897 146 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 146 A C 1.845 179.380 177.584 -0.082 0.000 1.181 146 A CA 0.820 52.808 52.037 -0.080 0.000 0.620 146 A CB -0.714 18.235 19.000 -0.086 0.000 0.821 146 A HN 0.381 nan 8.150 nan 0.000 0.443 147 F N -0.195 119.499 119.950 -0.427 0.000 2.069 147 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 147 F C 2.205 178.050 175.800 0.075 0.000 1.113 147 F CA 2.446 60.306 58.000 -0.233 0.000 1.214 147 F CB -0.193 38.548 39.000 -0.431 0.000 0.978 147 F HN 0.263 nan 8.300 nan 0.000 0.474 148 M N 0.758 120.517 119.600 0.265 0.000 2.374 148 M HA -0.154 4.326 4.480 -0.000 0.000 0.264 148 M C 1.533 177.944 176.300 0.184 0.000 1.067 148 M CA 1.583 57.024 55.300 0.234 0.000 1.103 148 M CB -1.159 31.603 32.600 0.270 0.000 1.402 148 M HN 0.199 nan 8.290 nan 0.000 0.444 149 N N -0.631 118.137 118.700 0.113 0.000 2.519 149 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 149 N C 1.325 176.909 175.510 0.123 0.000 1.062 149 N CA 0.986 54.114 53.050 0.130 0.000 0.910 149 N CB 0.099 38.619 38.487 0.056 0.000 0.958 149 N HN 0.411 nan 8.380 nan 0.000 0.445 150 E N 0.131 120.300 120.200 -0.052 0.000 2.444 150 E HA 0.062 4.412 4.350 -0.000 0.000 0.203 150 E C 1.498 177.777 176.600 -0.534 0.000 0.847 150 E CA -0.106 56.111 56.400 -0.305 0.000 1.142 150 E CB -0.497 28.993 29.700 -0.351 0.000 1.125 150 E HN 0.050 nan 8.360 nan 0.000 0.521 151 L N 1.360 122.261 121.223 -0.537 0.000 2.079 151 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 151 L C 2.360 179.140 176.870 -0.149 0.000 1.081 151 L CA 2.250 56.851 54.840 -0.397 0.000 0.752 151 L CB -0.974 40.924 42.059 -0.269 0.000 0.896 151 L HN 0.451 nan 8.230 nan 0.000 0.433 152 Y N 0.988 121.255 120.300 -0.056 0.000 2.151 152 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 152 Y C 2.499 178.375 175.900 -0.039 0.000 1.166 152 Y CA 1.874 60.016 58.100 0.070 0.000 1.163 152 Y CB -1.288 37.210 38.460 0.064 0.000 0.974 152 Y HN 0.353 nan 8.280 nan 0.000 0.511 153 R N -0.003 119.742 120.500 -1.259 0.000 2.293 153 R HA -0.145 4.195 4.340 -0.000 0.000 0.219 153 R C 0.517 176.403 176.300 -0.691 0.000 1.091 153 R CA 1.971 57.421 56.100 -1.083 0.000 1.004 153 R CB -0.998 28.531 30.300 -1.285 0.000 0.865 153 R HN 0.618 nan 8.270 nan 0.000 0.469 154 H N 0.251 119.177 119.070 -0.239 0.000 2.705 154 H HA 0.321 4.877 4.556 -0.000 0.000 0.269 154 H C 0.656 175.979 175.328 -0.007 0.000 0.998 154 H CA 0.024 55.997 56.048 -0.125 0.000 1.193 154 H CB 0.463 30.114 29.762 -0.183 0.000 1.485 154 H HN 0.284 nan 8.280 nan 0.000 0.521 155 I N -1.760 118.882 120.570 0.119 0.000 3.023 155 I HA 0.890 5.059 4.170 -0.000 0.000 0.312 155 I C -0.018 176.206 176.117 0.178 0.000 1.056 155 I CA -1.039 60.353 61.300 0.153 0.000 1.033 155 I CB 2.478 40.555 38.000 0.129 0.000 1.233 155 I HN 0.076 nan 8.210 nan 0.000 0.462 156 G N 1.958 110.843 108.800 0.141 0.000 2.387 156 G HA2 0.379 4.338 3.960 -0.000 0.000 0.294 156 G HA3 0.379 4.338 3.960 -0.000 0.000 0.294 156 G C -2.935 172.037 174.900 0.120 0.000 1.509 156 G CA -0.653 44.539 45.100 0.153 0.000 0.806 156 G HN 0.374 nan 8.290 nan 0.000 0.546 157 P HA -0.052 nan 4.420 nan 0.000 0.216 157 P C 1.280 178.750 177.300 0.284 0.000 1.154 157 P CA 1.499 64.697 63.100 0.164 0.000 0.865 157 P CB 0.253 32.083 31.700 0.217 0.000 0.789 158 C N -2.352 117.082 119.300 0.223 0.000 2.760 158 C HA 0.310 4.770 4.460 -0.000 0.000 0.293 158 C C 1.692 176.737 174.990 0.091 0.000 1.383 158 C CA 0.191 59.303 59.018 0.156 0.000 1.771 158 C CB -1.400 26.402 27.740 0.104 0.000 2.353 158 C HN 0.281 nan 8.230 nan 0.000 0.578 159 T N -0.926 113.698 114.554 0.117 0.000 3.280 159 T HA 0.138 4.488 4.350 -0.000 0.000 0.256 159 T C -0.562 174.254 174.700 0.194 0.000 0.995 159 T CA 0.523 62.697 62.100 0.124 0.000 1.144 159 T CB 0.325 69.289 68.868 0.160 0.000 1.140 159 T HN 0.334 nan 8.240 nan 0.000 0.423 160 D N 1.070 121.600 120.400 0.217 0.000 2.591 160 D HA 0.314 4.954 4.640 -0.000 0.000 0.222 160 D C -1.537 174.856 176.300 0.155 0.000 1.360 160 D CA -0.333 53.828 54.000 0.268 0.000 0.967 160 D CB 1.422 42.422 40.800 0.334 0.000 1.456 160 D HN -0.007 nan 8.370 nan 0.000 0.588 161 V N 5.788 125.777 119.914 0.124 0.000 2.240 161 V HA 0.390 4.510 4.120 -0.000 0.000 0.265 161 V C -1.961 174.166 176.094 0.055 0.000 1.073 161 V CA -1.343 60.992 62.300 0.058 0.000 0.857 161 V CB 0.714 32.555 31.823 0.030 0.000 1.114 161 V HN 0.449 nan 8.190 nan 0.000 0.469 162 P HA 0.443 nan 4.420 nan 0.000 0.271 162 P C -0.121 177.189 177.300 0.018 0.000 1.244 162 P CA 0.225 63.368 63.100 0.071 0.000 0.793 162 P CB 0.929 32.703 31.700 0.124 0.000 0.984 163 A N 0.186 123.008 122.820 0.003 0.000 2.566 163 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 163 A C -0.103 177.442 177.584 -0.064 0.000 1.278 163 A CA -0.195 51.817 52.037 -0.041 0.000 0.711 163 A CB 0.561 19.533 19.000 -0.047 0.000 1.332 163 A HN 0.533 nan 8.150 nan 0.000 0.478 164 G N -1.459 107.287 108.800 -0.090 0.000 2.535 164 G HA2 0.553 4.513 3.960 -0.000 0.000 0.303 164 G HA3 0.553 4.513 3.960 -0.000 0.000 0.303 164 G C -0.739 174.098 174.900 -0.105 0.000 1.237 164 G CA 0.489 45.516 45.100 -0.121 0.000 0.986 164 G HN 0.864 nan 8.290 nan 0.000 0.494 165 D N -2.106 118.222 120.400 -0.120 0.000 3.024 165 D HA -0.004 4.636 4.640 -0.000 0.000 0.354 165 D C -0.555 175.693 176.300 -0.086 0.000 1.431 165 D CA -0.668 53.280 54.000 -0.086 0.000 0.842 165 D CB 0.686 41.445 40.800 -0.067 0.000 1.437 165 D HN 0.272 nan 8.370 nan 0.000 0.507 166 I N 1.261 121.796 120.570 -0.059 0.000 2.741 166 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 166 I C 1.714 177.826 176.117 -0.009 0.000 1.192 166 I CA 1.841 63.118 61.300 -0.039 0.000 1.426 166 I CB 0.166 38.118 38.000 -0.079 0.000 1.367 166 I HN 0.796 nan 8.210 nan 0.000 0.563 167 G N 4.493 113.305 108.800 0.020 0.000 2.284 167 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.230 167 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.230 167 G C 0.123 174.978 174.900 -0.076 0.000 1.021 167 G CA -0.065 45.076 45.100 0.068 0.000 0.619 167 G HN 0.479 nan 8.290 nan 0.000 0.510 168 V N 2.031 121.808 119.914 -0.227 0.000 2.304 168 V HA 0.733 4.853 4.120 -0.000 0.000 0.278 168 V C 0.964 176.959 176.094 -0.165 0.000 1.018 168 V CA 0.128 62.245 62.300 -0.306 0.000 0.814 168 V CB 0.646 32.150 31.823 -0.532 0.000 1.021 168 V HN 0.784 nan 8.190 nan 0.000 0.440 169 G N 2.794 111.529 108.800 -0.108 0.000 2.940 169 G HA2 0.529 4.489 3.960 -0.000 0.000 0.164 169 G HA3 0.529 4.489 3.960 -0.000 0.000 0.164 169 G C 1.091 175.935 174.900 -0.094 0.000 1.326 169 G CA 0.186 45.233 45.100 -0.087 0.000 1.020 169 G HN 0.684 nan 8.290 nan 0.000 0.586 170 G N -0.760 107.988 108.800 -0.088 0.000 2.402 170 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 170 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 170 G C 1.718 176.565 174.900 -0.088 0.000 1.162 170 G CA 1.171 46.216 45.100 -0.091 0.000 0.777 170 G HN 0.539 nan 8.290 nan 0.000 0.539 171 R N 0.417 120.842 120.500 -0.125 0.000 2.083 171 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 171 R C 2.446 178.514 176.300 -0.386 0.000 1.137 171 R CA 1.902 57.839 56.100 -0.271 0.000 0.951 171 R CB -0.233 29.951 30.300 -0.195 0.000 0.851 171 R HN 0.279 nan 8.270 nan 0.000 0.434 172 E N 0.697 120.800 120.200 -0.163 0.000 2.031 172 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 172 E C 1.935 178.529 176.600 -0.009 0.000 0.994 172 E CA 1.508 57.878 56.400 -0.050 0.000 0.800 172 E CB -0.233 29.445 29.700 -0.037 0.000 0.752 172 E HN 0.396 nan 8.360 nan 0.000 0.447 173 I N 0.476 121.034 120.570 -0.020 0.000 2.423 173 I HA -0.213 3.957 4.170 -0.000 0.000 0.254 173 I C 2.132 178.378 176.117 0.214 0.000 1.151 173 I CA 1.143 62.483 61.300 0.068 0.000 1.421 173 I CB -0.370 37.634 38.000 0.007 0.000 1.079 173 I HN 0.200 nan 8.210 nan 0.000 0.431 174 G N -0.228 108.672 108.800 0.167 0.000 2.402 174 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 174 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 174 G C 1.512 176.513 174.900 0.168 0.000 1.162 174 G CA 0.462 45.718 45.100 0.260 0.000 0.777 174 G HN 0.397 nan 8.290 nan 0.000 0.539 175 Y N 0.050 120.425 120.300 0.125 0.000 2.337 175 Y HA 0.151 4.701 4.550 -0.000 0.000 0.293 175 Y C 2.713 178.671 175.900 0.096 0.000 1.123 175 Y CA -0.259 57.888 58.100 0.079 0.000 1.201 175 Y CB 0.003 38.511 38.460 0.081 0.000 1.011 175 Y HN 0.061 nan 8.280 nan 0.000 0.545 176 L N -1.239 120.155 121.223 0.284 0.000 2.056 176 L HA -0.251 4.089 4.340 -0.000 0.000 0.207 176 L C 2.334 179.364 176.870 0.266 0.000 1.078 176 L CA 1.329 56.325 54.840 0.260 0.000 0.749 176 L CB -0.589 41.611 42.059 0.234 0.000 0.901 176 L HN 0.257 nan 8.230 nan 0.000 0.433 177 Y N 0.844 121.211 120.300 0.111 0.000 2.200 177 Y HA -0.138 4.412 4.550 -0.000 0.000 0.290 177 Y C 2.314 178.238 175.900 0.040 0.000 1.137 177 Y CA 1.311 59.451 58.100 0.066 0.000 1.163 177 Y CB -0.703 37.782 38.460 0.042 0.000 0.988 177 Y HN 0.065 nan 8.280 nan 0.000 0.518 178 G N -0.464 108.343 108.800 0.011 0.000 2.446 178 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.217 178 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.217 178 G C 1.507 176.357 174.900 -0.083 0.000 1.168 178 G CA 1.157 46.199 45.100 -0.097 0.000 0.771 178 G HN 0.423 nan 8.290 nan 0.000 0.551 179 Q N -0.349 119.453 119.800 0.004 0.000 2.050 179 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 179 Q C 2.165 178.123 176.000 -0.070 0.000 0.980 179 Q CA 1.759 57.549 55.803 -0.022 0.000 0.840 179 Q CB -0.723 28.038 28.738 0.039 0.000 0.898 179 Q HN 0.598 nan 8.270 nan 0.000 0.424 180 Y N 0.994 121.220 120.300 -0.124 0.000 2.097 180 Y HA -0.291 4.259 4.550 -0.000 0.000 0.282 180 Y C 2.178 177.924 175.900 -0.256 0.000 1.152 180 Y CA 2.573 60.579 58.100 -0.156 0.000 1.136 180 Y CB -0.344 38.068 38.460 -0.081 0.000 0.975 180 Y HN 0.183 nan 8.280 nan 0.000 0.498 181 K N 0.242 120.483 120.400 -0.264 0.000 2.152 181 K HA -0.257 4.063 4.320 -0.000 0.000 0.206 181 K C 2.147 178.561 176.600 -0.310 0.000 1.048 181 K CA 1.756 57.835 56.287 -0.347 0.000 0.933 181 K CB -0.196 32.072 32.500 -0.386 0.000 0.721 181 K HN 0.185 nan 8.250 nan 0.000 0.447 182 K N 1.101 121.340 120.400 -0.268 0.000 2.062 182 K HA -0.014 4.306 4.320 -0.000 0.000 0.205 182 K C 1.754 178.186 176.600 -0.280 0.000 1.051 182 K CA 1.422 57.576 56.287 -0.222 0.000 0.941 182 K CB -0.144 32.256 32.500 -0.167 0.000 0.719 182 K HN 0.241 nan 8.250 nan 0.000 0.440 183 I N -0.258 120.076 120.570 -0.393 0.000 2.235 183 I HA -0.171 3.999 4.170 -0.000 0.000 0.241 183 I C 1.816 177.609 176.117 -0.541 0.000 1.085 183 I CA 0.746 61.745 61.300 -0.501 0.000 1.378 183 I CB 0.043 37.594 38.000 -0.749 0.000 1.076 183 I HN -0.087 nan 8.210 nan 0.000 0.415 184 V N -0.148 119.358 119.914 -0.679 0.000 2.871 184 V HA -0.141 3.978 4.120 -0.000 0.000 0.256 184 V C 0.881 176.769 176.094 -0.343 0.000 1.082 184 V CA 0.917 62.887 62.300 -0.550 0.000 1.105 184 V CB -1.075 30.273 31.823 -0.792 0.000 0.713 184 V HN 0.677 nan 8.190 nan 0.000 0.473 185 N N 0.252 118.762 118.700 -0.318 0.000 2.726 185 N HA -0.183 4.557 4.740 -0.000 0.000 0.253 185 N C -0.319 175.132 175.510 -0.099 0.000 1.059 185 N CA 0.473 53.420 53.050 -0.172 0.000 0.701 185 N CB -0.697 37.714 38.487 -0.127 0.000 0.899 185 N HN 0.440 nan 8.380 nan 0.000 0.548 186 S N 0.868 116.515 115.700 -0.088 0.000 2.533 186 S HA 0.545 5.015 4.470 -0.000 0.000 0.271 186 S C -1.561 173.138 174.600 0.164 0.000 1.143 186 S CA -0.589 57.648 58.200 0.060 0.000 0.891 186 S CB 0.939 64.183 63.200 0.074 0.000 1.105 186 S HN 0.330 nan 8.310 nan 0.000 0.468 187 F N 5.612 125.630 119.950 0.113 0.000 2.311 187 F HA 0.589 5.116 4.527 -0.000 0.000 0.371 187 F C -0.169 175.791 175.800 0.267 0.000 1.083 187 F CA -0.282 57.834 58.000 0.193 0.000 1.113 187 F CB 0.222 39.332 39.000 0.184 0.000 1.349 187 F HN 0.759 nan 8.300 nan 0.000 0.470 188 N N 1.571 120.314 118.700 0.071 0.000 3.278 188 N HA 0.509 5.248 4.740 -0.000 0.000 0.307 188 N C -0.233 175.235 175.510 -0.070 0.000 1.551 188 N CA -0.874 52.205 53.050 0.048 0.000 0.794 188 N CB 0.777 39.333 38.487 0.115 0.000 1.770 188 N HN 0.268 nan 8.380 nan 0.000 0.612 189 G N -1.319 107.361 108.800 -0.200 0.000 3.782 189 G HA2 0.111 4.071 3.960 -0.000 0.000 0.288 189 G HA3 0.111 4.071 3.960 -0.000 0.000 0.288 189 G C 0.168 174.937 174.900 -0.219 0.000 1.300 189 G CA -0.236 44.691 45.100 -0.289 0.000 1.261 189 G HN 0.557 nan 8.290 nan 0.000 0.591 190 T N 0.566 115.022 114.554 -0.163 0.000 3.007 190 T HA 0.115 4.465 4.350 -0.000 0.000 0.270 190 T C 0.732 175.339 174.700 -0.155 0.000 1.107 190 T CA 0.783 62.761 62.100 -0.205 0.000 1.118 190 T CB -0.242 68.296 68.868 -0.549 0.000 0.889 190 T HN 0.160 nan 8.240 nan 0.000 0.506 191 L N 1.185 122.324 121.223 -0.140 0.000 2.431 191 L HA 0.422 4.762 4.340 -0.000 0.000 0.266 191 L C 0.120 176.884 176.870 -0.177 0.000 0.978 191 L CA -0.985 53.792 54.840 -0.106 0.000 0.822 191 L CB 2.465 44.508 42.059 -0.026 0.000 1.310 191 L HN 0.033 nan 8.230 nan 0.000 0.409 192 T N -2.143 112.324 114.554 -0.145 0.000 2.936 192 T HA 0.670 5.020 4.350 -0.000 0.000 0.282 192 T C 0.875 175.465 174.700 -0.183 0.000 1.003 192 T CA 0.058 62.049 62.100 -0.182 0.000 1.005 192 T CB 1.765 70.549 68.868 -0.140 0.000 1.097 192 T HN 0.981 nan 8.240 nan 0.000 0.532 193 G N 0.404 109.074 108.800 -0.217 0.000 2.141 193 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.231 193 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.231 193 G C 0.054 174.780 174.900 -0.290 0.000 0.984 193 G CA 0.185 45.157 45.100 -0.214 0.000 0.660 193 G HN 0.873 nan 8.290 nan 0.000 0.525 197 V N 2.500 122.130 119.914 -0.472 0.000 2.828 197 V HA -0.180 3.940 4.120 -0.000 0.000 0.260 197 V C 1.768 177.649 176.094 -0.355 0.000 1.101 197 V CA 1.530 63.634 62.300 -0.328 0.000 1.123 197 V CB -0.490 31.237 31.823 -0.160 0.000 0.704 197 V HN 0.638 nan 8.190 nan 0.000 0.493 198 K N -0.311 119.880 120.400 -0.349 0.000 2.365 198 K HA -0.027 4.293 4.320 -0.000 0.000 0.197 198 K C 0.788 177.414 176.600 0.044 0.000 1.042 198 K CA 0.787 56.995 56.287 -0.131 0.000 0.987 198 K CB 0.112 32.642 32.500 0.050 0.000 0.779 198 K HN 0.793 nan 8.250 nan 0.000 0.484 199 W N -0.699 120.593 121.300 -0.014 0.000 1.139 199 W HA 0.436 5.096 4.660 -0.000 0.000 0.302 199 W C -0.020 176.525 176.519 0.043 0.000 0.847 199 W CA -0.412 57.020 57.345 0.144 0.000 1.982 199 W CB -0.368 29.259 29.460 0.279 0.000 1.803 199 W HN 0.156 nan 8.180 nan 0.000 0.492 200 G N 0.149 108.912 108.800 -0.063 0.000 2.255 200 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.196 200 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.196 200 G C 0.557 175.269 174.900 -0.313 0.000 0.998 200 G CA -0.320 44.672 45.100 -0.179 0.000 0.656 200 G HN 0.688 nan 8.290 nan 0.000 0.490 201 G N 0.138 108.683 108.800 -0.425 0.000 2.667 201 G HA2 0.522 4.481 3.960 -0.000 0.000 0.250 201 G HA3 0.522 4.481 3.960 -0.000 0.000 0.250 201 G C 0.259 175.039 174.900 -0.200 0.000 1.212 201 G CA 1.067 45.942 45.100 -0.376 0.000 0.874 201 G HN 1.255 nan 8.290 nan 0.000 0.561 202 S N -0.506 115.068 115.700 -0.209 0.000 2.621 202 S HA 0.426 4.896 4.470 -0.000 0.000 0.302 202 S C 0.050 174.558 174.600 -0.153 0.000 1.093 202 S CA -1.006 57.078 58.200 -0.193 0.000 1.017 202 S CB 0.838 63.890 63.200 -0.247 0.000 1.077 202 S HN 0.566 nan 8.310 nan 0.000 0.517 203 N N 2.263 120.866 118.700 -0.162 0.000 2.467 203 N HA 0.310 5.050 4.740 -0.000 0.000 0.262 203 N C 0.593 176.031 175.510 -0.120 0.000 1.234 203 N CA -0.148 52.831 53.050 -0.118 0.000 0.952 203 N CB 0.369 38.795 38.487 -0.101 0.000 1.158 203 N HN 0.821 nan 8.380 nan 0.000 0.463 204 L N -0.893 120.249 121.223 -0.135 0.000 4.937 204 L HA -0.298 4.042 4.340 -0.000 0.000 0.422 204 L C 1.942 178.682 176.870 -0.218 0.000 1.059 204 L CA 0.482 55.219 54.840 -0.171 0.000 1.111 204 L CB -0.597 41.431 42.059 -0.052 0.000 2.033 204 L HN 0.689 nan 8.230 nan 0.000 0.708 205 R N 0.799 121.176 120.500 -0.206 0.000 2.127 205 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 205 R C 1.509 177.668 176.300 -0.235 0.000 1.134 205 R CA 2.275 58.253 56.100 -0.203 0.000 0.975 205 R CB 0.002 30.179 30.300 -0.205 0.000 0.865 205 R HN 0.417 nan 8.270 nan 0.000 0.447 206 V N 0.646 120.371 119.914 -0.314 0.000 2.685 206 V HA -0.049 4.071 4.120 -0.000 0.000 0.244 206 V C 1.528 177.248 176.094 -0.623 0.000 1.054 206 V CA 1.385 63.457 62.300 -0.379 0.000 1.076 206 V CB 0.098 31.706 31.823 -0.358 0.000 0.725 206 V HN 0.258 nan 8.190 nan 0.000 0.467 207 E N 0.581 120.259 120.200 -0.870 0.000 2.371 207 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 207 E C 2.126 178.278 176.600 -0.748 0.000 1.012 207 E CA 0.835 56.508 56.400 -1.212 0.000 0.860 207 E CB -0.377 28.358 29.700 -1.608 0.000 0.811 207 E HN 0.535 nan 8.360 nan 0.000 0.502 208 A N 0.787 123.378 122.820 -0.382 0.000 1.863 208 A HA -0.344 3.976 4.320 -0.000 0.000 0.218 208 A C 2.338 179.886 177.584 -0.059 0.000 1.233 208 A CA 2.691 54.648 52.037 -0.133 0.000 0.655 208 A CB -1.417 17.529 19.000 -0.090 0.000 0.839 208 A HN 0.308 nan 8.150 nan 0.000 0.454 209 T N -0.371 114.139 114.554 -0.073 0.000 2.622 209 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 209 T C 2.015 176.717 174.700 0.003 0.000 1.047 209 T CA 1.818 63.906 62.100 -0.020 0.000 1.159 209 T CB -1.043 67.810 68.868 -0.025 0.000 0.863 209 T HN 0.697 nan 8.240 nan 0.000 0.422 210 G N 0.200 108.987 108.800 -0.022 0.000 2.469 210 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 210 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 210 G C 1.310 176.258 174.900 0.081 0.000 1.136 210 G CA 0.773 45.887 45.100 0.024 0.000 0.759 210 G HN 0.426 nan 8.290 nan 0.000 0.562 211 Y N 1.072 121.305 120.300 -0.111 0.000 2.206 211 Y HA 0.080 4.629 4.550 -0.000 0.000 0.292 211 Y C 3.034 178.716 175.900 -0.364 0.000 1.123 211 Y CA 0.119 58.022 58.100 -0.327 0.000 1.142 211 Y CB -1.189 37.103 38.460 -0.279 0.000 1.006 211 Y HN 0.182 nan 8.280 nan 0.000 0.518 212 G N 0.317 109.193 108.800 0.126 0.000 2.469 212 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 212 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 212 G C 1.922 176.946 174.900 0.207 0.000 1.150 212 G CA 0.974 46.211 45.100 0.228 0.000 0.763 212 G HN 0.381 nan 8.290 nan 0.000 0.561 213 L N 0.220 121.525 121.223 0.136 0.000 1.971 213 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 213 L C 3.026 180.041 176.870 0.242 0.000 1.072 213 L CA 1.433 56.384 54.840 0.185 0.000 0.758 213 L CB -0.309 41.845 42.059 0.158 0.000 0.889 213 L HN 0.171 nan 8.230 nan 0.000 0.433 214 V N -1.030 118.935 119.914 0.085 0.000 2.407 214 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 214 V C 2.101 178.253 176.094 0.096 0.000 1.055 214 V CA 1.838 64.162 62.300 0.040 0.000 1.049 214 V CB -0.848 30.878 31.823 -0.163 0.000 0.662 214 V HN 0.441 nan 8.190 nan 0.000 0.455 215 Y N -1.382 118.992 120.300 0.123 0.000 2.181 215 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 215 Y C 2.383 178.331 175.900 0.080 0.000 1.146 215 Y CA 1.792 59.938 58.100 0.076 0.000 1.164 215 Y CB -0.332 38.183 38.460 0.090 0.000 0.982 215 Y HN 0.264 nan 8.280 nan 0.000 0.515 216 F N -0.010 120.056 119.950 0.193 0.000 2.134 216 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 216 F C 2.084 177.902 175.800 0.030 0.000 1.097 216 F CA 1.233 59.303 58.000 0.116 0.000 1.264 216 F CB -0.535 38.539 39.000 0.124 0.000 1.001 216 F HN -0.247 nan 8.300 nan 0.000 0.479 217 V N 0.159 120.172 119.914 0.164 0.000 2.548 217 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 217 V C 2.221 178.269 176.094 -0.076 0.000 1.055 217 V CA 1.444 63.769 62.300 0.042 0.000 1.065 217 V CB -0.529 31.418 31.823 0.208 0.000 0.681 217 V HN 0.400 nan 8.190 nan 0.000 0.462 218 L N 0.175 121.381 121.223 -0.029 0.000 2.093 218 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 218 L C 2.311 179.059 176.870 -0.203 0.000 1.085 218 L CA 1.924 56.727 54.840 -0.062 0.000 0.755 218 L CB -0.595 41.477 42.059 0.021 0.000 0.904 218 L HN 0.232 nan 8.230 nan 0.000 0.435 219 E N -0.713 119.296 120.200 -0.319 0.000 2.077 219 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 219 E C 2.164 178.165 176.600 -0.999 0.000 0.989 219 E CA 1.580 57.632 56.400 -0.581 0.000 0.800 219 E CB -0.360 28.982 29.700 -0.597 0.000 0.746 219 E HN 0.365 nan 8.360 nan 0.000 0.452 220 V N 0.481 119.793 119.914 -1.003 0.000 2.307 220 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 220 V C 2.388 178.296 176.094 -0.310 0.000 1.045 220 V CA 1.535 63.395 62.300 -0.734 0.000 1.024 220 V CB -0.485 31.151 31.823 -0.312 0.000 0.651 220 V HN 0.273 nan 8.190 nan 0.000 0.449 221 L N -0.499 120.582 121.223 -0.237 0.000 2.046 221 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 221 L C 2.620 179.415 176.870 -0.125 0.000 1.077 221 L CA 1.715 56.473 54.840 -0.137 0.000 0.747 221 L CB -0.680 41.326 42.059 -0.090 0.000 0.896 221 L HN 0.288 nan 8.230 nan 0.000 0.432 222 K N 0.003 120.307 120.400 -0.161 0.000 2.097 222 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 222 K C 2.266 178.823 176.600 -0.073 0.000 1.049 222 K CA 1.720 57.938 56.287 -0.114 0.000 0.933 222 K CB -0.140 32.283 32.500 -0.128 0.000 0.717 222 K HN 0.396 nan 8.250 nan 0.000 0.442 223 S N 0.359 116.011 115.700 -0.080 0.000 2.489 223 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 223 S C 1.616 176.284 174.600 0.113 0.000 0.995 223 S CA 0.433 58.675 58.200 0.070 0.000 0.934 223 S CB 0.105 63.442 63.200 0.230 0.000 0.771 223 S HN 0.088 nan 8.310 nan 0.000 0.522 224 L N 1.626 122.865 121.223 0.028 0.000 2.616 224 L HA 0.375 4.715 4.340 -0.000 0.000 0.229 224 L C 0.738 177.588 176.870 -0.033 0.000 1.110 224 L CA 0.767 55.591 54.840 -0.027 0.000 0.884 224 L CB -1.294 40.682 42.059 -0.138 0.000 1.115 224 L HN 0.518 nan 8.230 nan 0.000 0.481 225 N N 0.075 118.758 118.700 -0.028 0.000 2.815 225 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 225 N C -0.328 175.161 175.510 -0.036 0.000 1.114 225 N CA 0.370 53.403 53.050 -0.028 0.000 0.717 225 N CB -1.568 36.909 38.487 -0.016 0.000 1.074 225 N HN 0.318 nan 8.380 nan 0.000 0.555 226 I N 0.993 121.534 120.570 -0.047 0.000 2.301 226 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 226 I C -1.737 174.358 176.117 -0.035 0.000 1.046 226 I CA -1.873 59.401 61.300 -0.044 0.000 1.282 226 I CB 0.796 38.763 38.000 -0.056 0.000 1.409 226 I HN 0.009 nan 8.210 nan 0.000 0.484 227 P HA -0.085 nan 4.420 nan 0.000 0.255 227 P C 0.877 178.168 177.300 -0.016 0.000 1.173 227 P CA 0.306 63.393 63.100 -0.021 0.000 0.780 227 P CB 0.678 32.370 31.700 -0.015 0.000 0.758 228 V N 4.002 123.905 119.914 -0.019 0.000 2.515 228 V HA -0.164 3.955 4.120 -0.000 0.000 0.250 228 V C 1.757 177.851 176.094 0.000 0.000 1.058 228 V CA 1.857 64.152 62.300 -0.008 0.000 1.064 228 V CB -0.667 31.147 31.823 -0.015 0.000 0.675 228 V HN 0.591 nan 8.190 nan 0.000 0.461 229 E N 0.013 120.208 120.200 -0.007 0.000 2.365 229 E HA -0.072 4.277 4.350 -0.000 0.000 0.188 229 E C 0.883 177.487 176.600 0.007 0.000 1.102 229 E CA 0.299 56.698 56.400 -0.002 0.000 0.927 229 E CB -0.123 29.570 29.700 -0.011 0.000 1.073 229 E HN 0.579 nan 8.360 nan 0.000 0.467 230 K N 0.216 120.622 120.400 0.010 0.000 2.533 230 K HA 0.177 4.497 4.320 -0.000 0.000 0.202 230 K C -0.094 176.521 176.600 0.024 0.000 1.096 230 K CA -0.282 56.014 56.287 0.015 0.000 1.056 230 K CB 0.845 33.349 32.500 0.007 0.000 0.890 230 K HN -0.057 nan 8.250 nan 0.000 0.552 231 Q N 0.522 120.341 119.800 0.032 0.000 2.205 231 Q HA 0.351 4.691 4.340 -0.000 0.000 0.249 231 Q C -0.732 175.308 176.000 0.067 0.000 0.948 231 Q CA 0.196 56.027 55.803 0.048 0.000 0.895 231 Q CB 1.863 30.635 28.738 0.057 0.000 1.249 231 Q HN -0.112 nan 8.270 nan 0.000 0.458 232 T N 0.892 115.496 114.554 0.083 0.000 2.841 232 T HA 0.827 5.177 4.350 -0.000 0.000 0.285 232 T C -1.240 173.542 174.700 0.136 0.000 0.991 232 T CA -0.604 61.557 62.100 0.101 0.000 0.966 232 T CB 1.289 70.214 68.868 0.095 0.000 0.962 232 T HN 0.582 nan 8.240 nan 0.000 0.438 233 A N 2.736 125.649 122.820 0.156 0.000 2.340 233 A HA 0.860 5.180 4.320 -0.000 0.000 0.331 233 A C -0.735 176.960 177.584 0.185 0.000 1.140 233 A CA -0.645 51.529 52.037 0.229 0.000 0.801 233 A CB 1.175 20.330 19.000 0.258 0.000 1.234 233 A HN 0.657 nan 8.150 nan 0.000 0.469 234 V N 2.544 122.594 119.914 0.227 0.000 2.444 234 V HA 0.510 4.630 4.120 -0.000 0.000 0.294 234 V C -0.541 175.646 176.094 0.154 0.000 1.022 234 V CA -0.360 62.010 62.300 0.116 0.000 0.850 234 V CB 1.495 33.362 31.823 0.074 0.000 0.992 234 V HN 0.699 nan 8.190 nan 0.000 0.426 235 V N 4.051 123.961 119.914 -0.007 0.000 2.680 235 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 235 V C 0.075 176.082 176.094 -0.144 0.000 1.052 235 V CA -0.466 61.843 62.300 0.015 0.000 0.908 235 V CB 2.420 34.207 31.823 -0.061 0.000 1.001 235 V HN 0.963 nan 8.190 nan 0.000 0.431 236 S N 2.032 117.703 115.700 -0.048 0.000 2.664 236 S HA 0.981 5.450 4.470 -0.000 0.000 0.304 236 S C 0.044 174.651 174.600 0.012 0.000 1.099 236 S CA -0.031 58.113 58.200 -0.094 0.000 1.003 236 S CB 1.738 64.931 63.200 -0.012 0.000 1.092 236 S HN 2.384 nan 8.310 nan 0.000 0.525 237 G N 0.362 109.170 108.800 0.013 0.000 2.746 237 G HA2 0.040 4.000 3.960 -0.000 0.000 0.685 237 G HA3 0.040 4.000 3.960 -0.000 0.000 0.685 237 G C -0.066 174.824 174.900 -0.017 0.000 1.350 237 G CA -0.232 44.882 45.100 0.024 0.000 0.837 237 G HN 1.462 nan 8.290 nan 0.000 0.564 238 S N 0.102 115.793 115.700 -0.015 0.000 2.993 238 S HA 0.482 4.952 4.470 -0.000 0.000 0.257 238 S C 1.174 175.747 174.600 -0.045 0.000 0.997 238 S CA 0.748 58.920 58.200 -0.046 0.000 1.191 238 S CB 0.440 63.629 63.200 -0.019 0.000 1.143 238 S HN 1.522 nan 8.310 nan 0.000 0.655 239 G N 1.702 110.487 108.800 -0.025 0.000 2.489 239 G HA2 0.157 4.117 3.960 -0.000 0.000 0.271 239 G HA3 0.157 4.117 3.960 -0.000 0.000 0.271 239 G C 0.520 175.408 174.900 -0.020 0.000 1.427 239 G CA -0.385 44.707 45.100 -0.013 0.000 1.057 239 G HN 0.403 nan 8.290 nan 0.000 0.532 240 N N -1.456 117.258 118.700 0.023 0.000 2.459 240 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 240 N C 2.176 177.757 175.510 0.118 0.000 1.046 240 N CA 0.271 53.386 53.050 0.109 0.000 0.904 240 N CB 0.122 38.670 38.487 0.102 0.000 0.964 240 N HN 0.190 nan 8.380 nan 0.000 0.444 241 V N 0.870 120.805 119.914 0.035 0.000 2.331 241 V HA -0.059 4.061 4.120 -0.000 0.000 0.242 241 V C 2.356 178.445 176.094 -0.008 0.000 1.034 241 V CA 1.680 63.994 62.300 0.024 0.000 1.027 241 V CB -0.773 31.063 31.823 0.023 0.000 0.667 241 V HN 0.243 nan 8.190 nan 0.000 0.457 242 A N -0.078 122.720 122.820 -0.037 0.000 1.898 242 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 242 A C 2.251 179.725 177.584 -0.182 0.000 1.181 242 A CA 1.539 53.523 52.037 -0.089 0.000 0.620 242 A CB -0.563 18.390 19.000 -0.078 0.000 0.819 242 A HN 0.463 nan 8.150 nan 0.000 0.442 243 L N -2.070 119.016 121.223 -0.228 0.000 2.012 243 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 243 L C 2.468 179.007 176.870 -0.553 0.000 1.073 243 L CA 1.708 56.292 54.840 -0.426 0.000 0.748 243 L CB -0.553 41.182 42.059 -0.540 0.000 0.891 243 L HN 0.540 nan 8.230 nan 0.000 0.431 244 Y N -2.123 118.096 120.300 -0.135 0.000 2.517 244 Y HA -0.134 4.415 4.550 -0.000 0.000 0.281 244 Y C 2.616 178.498 175.900 -0.030 0.000 1.125 244 Y CA 0.563 58.592 58.100 -0.118 0.000 1.283 244 Y CB -0.403 37.861 38.460 -0.326 0.000 1.042 244 Y HN 0.329 nan 8.280 nan 0.000 0.547 245 C N -0.718 118.566 119.300 -0.027 0.000 2.453 245 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 245 C C 2.517 177.382 174.990 -0.209 0.000 1.262 245 C CA 1.034 59.977 59.018 -0.124 0.000 1.718 245 C CB -1.111 26.506 27.740 -0.205 0.000 2.031 245 C HN 0.352 nan 8.230 nan 0.000 0.480 246 V N 0.831 120.605 119.914 -0.232 0.000 2.427 246 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 246 V C 2.664 178.681 176.094 -0.128 0.000 1.051 246 V CA 2.362 64.517 62.300 -0.242 0.000 1.048 246 V CB -0.995 30.634 31.823 -0.323 0.000 0.666 246 V HN 0.686 nan 8.190 nan 0.000 0.456 247 Q N -0.214 119.543 119.800 -0.071 0.000 2.084 247 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 247 Q C 2.288 178.353 176.000 0.107 0.000 0.978 247 Q CA 1.785 57.619 55.803 0.052 0.000 0.844 247 Q CB 0.005 28.822 28.738 0.131 0.000 0.898 247 Q HN 0.419 nan 8.270 nan 0.000 0.426 248 K N 0.292 120.754 120.400 0.103 0.000 2.155 248 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 248 K C 1.877 178.452 176.600 -0.042 0.000 1.052 248 K CA 0.751 57.017 56.287 -0.034 0.000 0.948 248 K CB -0.183 32.196 32.500 -0.202 0.000 0.728 248 K HN 0.210 nan 8.250 nan 0.000 0.448 249 L N 0.067 121.238 121.223 -0.087 0.000 2.046 249 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 249 L C 2.081 178.939 176.870 -0.020 0.000 1.077 249 L CA 1.130 55.910 54.840 -0.100 0.000 0.747 249 L CB -0.356 41.586 42.059 -0.196 0.000 0.896 249 L HN 0.177 nan 8.230 nan 0.000 0.432 250 L N -1.367 119.866 121.223 0.017 0.000 2.083 250 L HA -0.273 4.067 4.340 -0.000 0.000 0.209 250 L C 2.591 179.527 176.870 0.109 0.000 1.083 250 L CA 1.304 56.185 54.840 0.068 0.000 0.752 250 L CB -0.835 41.285 42.059 0.102 0.000 0.899 250 L HN 0.398 nan 8.230 nan 0.000 0.433 251 H N 0.552 119.615 119.070 -0.013 0.000 2.387 251 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 251 H C 2.024 177.333 175.328 -0.033 0.000 1.090 251 H CA 0.908 56.938 56.048 -0.031 0.000 1.332 251 H CB 0.256 29.987 29.762 -0.052 0.000 1.386 251 H HN 0.279 nan 8.280 nan 0.000 0.516 252 L N 0.697 121.899 121.223 -0.034 0.000 2.627 252 L HA -0.042 4.298 4.340 -0.000 0.000 0.233 252 L C 0.135 176.975 176.870 -0.050 0.000 1.144 252 L CA 0.107 54.888 54.840 -0.099 0.000 0.892 252 L CB -0.082 41.937 42.059 -0.066 0.000 1.039 252 L HN 0.405 nan 8.230 nan 0.000 0.442 253 N N -0.637 118.055 118.700 -0.013 0.000 2.776 253 N HA -0.135 4.604 4.740 -0.000 0.000 0.249 253 N C -0.384 175.133 175.510 0.013 0.000 1.111 253 N CA 0.362 53.415 53.050 0.004 0.000 0.711 253 N CB -1.559 36.922 38.487 -0.010 0.000 1.065 253 N HN 0.056 nan 8.380 nan 0.000 0.556 254 V N 0.696 120.619 119.914 0.015 0.000 2.567 254 V HA 0.202 4.322 4.120 -0.000 0.000 0.289 254 V C 0.943 177.062 176.094 0.041 0.000 1.049 254 V CA -0.622 61.693 62.300 0.025 0.000 0.969 254 V CB 2.032 33.862 31.823 0.013 0.000 0.995 254 V HN 0.084 nan 8.190 nan 0.000 0.471 255 K N 3.425 123.860 120.400 0.059 0.000 2.285 255 K HA 0.477 4.797 4.320 -0.000 0.000 0.286 255 K C -1.068 175.592 176.600 0.099 0.000 1.072 255 K CA -0.321 56.015 56.287 0.081 0.000 0.913 255 K CB 1.068 33.617 32.500 0.082 0.000 1.067 255 K HN 0.500 nan 8.250 nan 0.000 0.479 256 V N 7.032 127.018 119.914 0.120 0.000 2.427 256 V HA 0.171 4.291 4.120 -0.000 0.000 0.286 256 V C 0.855 177.126 176.094 0.295 0.000 1.034 256 V CA -0.438 61.933 62.300 0.118 0.000 0.893 256 V CB 1.451 33.263 31.823 -0.019 0.000 0.982 256 V HN 0.846 nan 8.190 nan 0.000 0.452 257 L N 3.625 125.014 121.223 0.276 0.000 2.609 257 L HA 0.257 4.597 4.340 -0.000 0.000 0.230 257 L C 0.902 178.124 176.870 0.587 0.000 1.087 257 L CA 0.500 55.586 54.840 0.411 0.000 0.874 257 L CB 0.644 42.940 42.059 0.394 0.000 1.114 257 L HN 0.871 nan 8.230 nan 0.000 0.488 258 T N -2.394 112.340 114.554 0.300 0.000 2.762 258 T HA 0.684 5.034 4.350 -0.000 0.000 0.301 258 T C -0.938 173.664 174.700 -0.164 0.000 1.299 258 T CA -0.625 61.615 62.100 0.234 0.000 1.005 258 T CB 2.393 71.332 68.868 0.119 0.000 1.377 258 T HN -0.095 nan 8.240 nan 0.000 0.504 259 L N 0.578 121.763 121.223 -0.062 0.000 2.671 259 L HA 0.787 5.127 4.340 -0.000 0.000 0.259 259 L C -0.912 175.978 176.870 0.034 0.000 1.021 259 L CA -1.013 53.742 54.840 -0.141 0.000 0.871 259 L CB 2.460 44.351 42.059 -0.280 0.000 1.472 259 L HN 1.213 nan 8.230 nan 0.000 0.410 260 S N -1.449 114.265 115.700 0.023 0.000 2.615 260 S HA 0.696 5.165 4.470 -0.000 0.000 0.269 260 S C -1.873 172.789 174.600 0.103 0.000 1.161 260 S CA -0.910 57.357 58.200 0.112 0.000 0.817 260 S CB 2.858 66.099 63.200 0.068 0.000 1.131 260 S HN 0.545 nan 8.310 nan 0.000 0.467 261 D N 0.114 120.609 120.400 0.158 0.000 2.490 261 D HA 0.490 5.130 4.640 -0.000 0.000 0.232 261 D C 1.094 177.476 176.300 0.136 0.000 1.053 261 D CA -0.258 53.824 54.000 0.136 0.000 0.914 261 D CB 2.415 43.312 40.800 0.161 0.000 1.431 261 D HN 0.595 nan 8.370 nan 0.000 0.483 262 S N 1.231 116.997 115.700 0.110 0.000 2.528 262 S HA -0.155 4.315 4.470 -0.000 0.000 0.244 262 S C 0.941 175.611 174.600 0.117 0.000 0.982 262 S CA 1.068 59.330 58.200 0.105 0.000 0.953 262 S CB -0.184 63.070 63.200 0.089 0.000 0.754 262 S HN 0.385 nan 8.310 nan 0.000 0.529 263 N N 0.880 119.671 118.700 0.153 0.000 2.432 263 N HA 0.443 5.183 4.740 -0.000 0.000 0.174 263 N C 0.638 176.268 175.510 0.199 0.000 1.037 263 N CA 0.805 53.965 53.050 0.182 0.000 0.892 263 N CB 0.702 39.321 38.487 0.219 0.000 1.049 263 N HN 0.583 nan 8.380 nan 0.000 0.442 264 G N -1.150 107.788 108.800 0.229 0.000 2.356 264 G HA2 0.335 4.295 3.960 -0.000 0.000 0.294 264 G HA3 0.335 4.295 3.960 -0.000 0.000 0.294 264 G C -2.128 172.875 174.900 0.172 0.000 1.423 264 G CA -0.904 44.194 45.100 -0.004 0.000 0.806 264 G HN 0.107 nan 8.290 nan 0.000 0.527 265 Y N -0.826 119.442 120.300 -0.052 0.000 2.528 265 Y HA 0.840 5.390 4.550 -0.000 0.000 0.335 265 Y C -0.552 175.522 175.900 0.290 0.000 1.093 265 Y CA -1.695 56.459 58.100 0.089 0.000 1.134 265 Y CB 2.001 40.416 38.460 -0.075 0.000 1.253 265 Y HN 0.692 nan 8.280 nan 0.000 0.478 266 V N 4.094 124.301 119.914 0.488 0.000 2.630 266 V HA 0.506 4.625 4.120 -0.000 0.000 0.305 266 V C -1.817 174.688 176.094 0.686 0.000 1.046 266 V CA -0.698 61.918 62.300 0.528 0.000 0.934 266 V CB 1.547 33.671 31.823 0.502 0.000 1.003 266 V HN 0.836 nan 8.190 nan 0.000 0.451 267 Y N 4.193 124.764 120.300 0.452 0.000 2.373 267 Y HA 0.596 5.146 4.550 -0.000 0.000 0.336 267 Y C -0.424 175.600 175.900 0.207 0.000 0.979 267 Y CA -0.893 57.452 58.100 0.408 0.000 1.080 267 Y CB 1.892 40.626 38.460 0.457 0.000 1.190 267 Y HN 0.587 nan 8.280 nan 0.000 0.446 268 E N 8.528 128.446 120.200 -0.469 0.000 2.101 268 E HA 0.255 4.605 4.350 -0.000 0.000 0.260 268 E C -2.136 174.007 176.600 -0.762 0.000 0.897 268 E CA -2.167 53.843 56.400 -0.650 0.000 0.744 268 E CB 1.654 30.800 29.700 -0.923 0.000 1.140 268 E HN 0.557 nan 8.360 nan 0.000 0.419 269 P HA -0.246 nan 4.420 nan 0.000 0.218 269 P C 0.947 178.127 177.300 -0.200 0.000 1.165 269 P CA 1.551 64.367 63.100 -0.473 0.000 0.922 269 P CB 0.277 31.864 31.700 -0.188 0.000 0.794 270 N N -1.281 117.327 118.700 -0.153 0.000 2.398 270 N HA 0.109 4.849 4.740 -0.000 0.000 0.188 270 N C 0.321 175.808 175.510 -0.039 0.000 1.122 270 N CA 0.434 53.446 53.050 -0.064 0.000 0.866 270 N CB 0.086 38.544 38.487 -0.049 0.000 0.970 270 N HN 0.115 nan 8.380 nan 0.000 0.462 271 G N 0.123 108.881 108.800 -0.070 0.000 2.619 271 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 271 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 271 G C -1.016 173.897 174.900 0.022 0.000 1.256 271 G CA -0.879 44.245 45.100 0.040 0.000 0.826 271 G HN 0.099 nan 8.290 nan 0.000 0.619 272 F N 0.385 120.342 119.950 0.011 0.000 2.370 272 F HA 0.703 5.230 4.527 -0.000 0.000 0.319 272 F C 1.414 177.238 175.800 0.039 0.000 1.129 272 F CA 0.373 58.390 58.000 0.028 0.000 1.109 272 F CB 1.922 40.917 39.000 -0.008 0.000 1.262 272 F HN 0.531 nan 8.300 nan 0.000 0.534 273 T N -0.202 114.498 114.554 0.245 0.000 2.932 273 T HA 0.148 4.498 4.350 -0.000 0.000 0.289 273 T C 0.576 175.377 174.700 0.168 0.000 1.039 273 T CA -0.352 61.850 62.100 0.170 0.000 1.024 273 T CB 1.421 70.358 68.868 0.115 0.000 1.090 273 T HN 0.630 nan 8.240 nan 0.000 0.496 274 H N 1.115 120.213 119.070 0.046 0.000 2.352 274 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 274 H C 2.106 177.417 175.328 -0.029 0.000 1.097 274 H CA 2.462 58.513 56.048 0.005 0.000 1.311 274 H CB 0.298 30.051 29.762 -0.015 0.000 1.377 274 H HN 0.764 nan 8.280 nan 0.000 0.504 275 E N -0.005 120.189 120.200 -0.011 0.000 2.051 275 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 275 E C 1.809 178.291 176.600 -0.197 0.000 0.991 275 E CA 1.377 57.672 56.400 -0.174 0.000 0.799 275 E CB -0.131 29.493 29.700 -0.127 0.000 0.748 275 E HN 0.707 nan 8.360 nan 0.000 0.449 276 N N 0.851 119.598 118.700 0.079 0.000 2.069 276 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 276 N C 2.086 177.764 175.510 0.281 0.000 1.031 276 N CA 0.930 54.206 53.050 0.377 0.000 0.852 276 N CB -0.169 38.587 38.487 0.450 0.000 1.018 276 N HN 0.171 nan 8.380 nan 0.000 0.423 277 L N 1.484 122.767 121.223 0.099 0.000 2.191 277 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 277 L C 1.813 178.598 176.870 -0.141 0.000 1.103 277 L CA 1.451 56.258 54.840 -0.056 0.000 0.769 277 L CB -0.246 41.728 42.059 -0.141 0.000 0.908 277 L HN 0.254 nan 8.230 nan 0.000 0.438 278 E N -0.465 119.602 120.200 -0.222 0.000 2.152 278 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 278 E C 2.085 178.595 176.600 -0.149 0.000 0.983 278 E CA 0.949 57.190 56.400 -0.265 0.000 0.818 278 E CB -0.213 29.255 29.700 -0.387 0.000 0.758 278 E HN 0.496 nan 8.360 nan 0.000 0.467 279 F N 0.856 120.756 119.950 -0.083 0.000 2.060 279 F HA -0.147 4.379 4.527 -0.000 0.000 0.295 279 F C 2.448 178.283 175.800 0.058 0.000 1.120 279 F CA 0.552 58.493 58.000 -0.098 0.000 1.205 279 F CB -0.319 38.606 39.000 -0.125 0.000 0.986 279 F HN -0.056 nan 8.300 nan 0.000 0.470 280 L N -0.008 121.400 121.223 0.308 0.000 2.043 280 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 280 L C 2.241 179.130 176.870 0.031 0.000 1.075 280 L CA 1.313 56.231 54.840 0.131 0.000 0.752 280 L CB -0.588 41.452 42.059 -0.032 0.000 0.891 280 L HN 0.275 nan 8.230 nan 0.000 0.432 281 I N 0.034 120.584 120.570 -0.034 0.000 2.186 281 I HA -0.253 3.917 4.170 -0.000 0.000 0.228 281 I C 0.984 177.091 176.117 -0.017 0.000 1.062 281 I CA 1.442 62.688 61.300 -0.089 0.000 1.347 281 I CB 0.079 37.971 38.000 -0.181 0.000 1.122 281 I HN 0.136 nan 8.210 nan 0.000 0.402 282 D N 0.205 120.599 120.400 -0.011 0.000 2.941 282 D HA 0.130 4.770 4.640 -0.000 0.000 0.236 282 D C 0.657 176.994 176.300 0.062 0.000 1.147 282 D CA 0.413 54.424 54.000 0.018 0.000 0.975 282 D CB -0.095 40.703 40.800 -0.003 0.000 1.162 282 D HN 0.343 nan 8.370 nan 0.000 0.444 283 L N -0.667 120.604 121.223 0.080 0.000 1.301 283 L HA 0.076 4.416 4.340 -0.000 0.000 0.088 283 L C 0.433 177.358 176.870 0.092 0.000 1.466 283 L CA -0.291 54.618 54.840 0.115 0.000 1.141 283 L CB 0.147 42.335 42.059 0.215 0.000 2.338 283 L HN -0.170 nan 8.230 nan 0.000 0.453 284 K N 1.149 121.605 120.400 0.094 0.000 3.165 284 K HA 0.167 4.487 4.320 -0.000 0.000 0.259 284 K C 0.111 176.729 176.600 0.031 0.000 1.282 284 K CA 0.285 56.608 56.287 0.061 0.000 1.259 284 K CB 0.692 33.235 32.500 0.071 0.000 1.546 284 K HN 0.195 nan 8.250 nan 0.000 0.384 285 E N -0.532 119.685 120.200 0.029 0.000 1.338 285 E HA -0.091 4.259 4.350 -0.000 0.000 0.206 285 E C 0.932 177.546 176.600 0.025 0.000 0.983 285 E CA 0.271 56.682 56.400 0.018 0.000 1.002 285 E CB -0.190 29.511 29.700 0.002 0.000 4.624 285 E HN 0.127 nan 8.360 nan 0.000 0.692 286 E N 0.940 121.160 120.200 0.032 0.000 2.250 286 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 286 E C 1.538 178.159 176.600 0.036 0.000 0.986 286 E CA 1.362 57.782 56.400 0.033 0.000 0.849 286 E CB 0.307 30.029 29.700 0.038 0.000 0.797 286 E HN 0.153 nan 8.360 nan 0.000 0.482 287 K N 0.175 120.600 120.400 0.041 0.000 2.435 287 K HA 0.086 4.406 4.320 -0.000 0.000 0.199 287 K C -0.277 176.342 176.600 0.032 0.000 1.153 287 K CA 0.302 56.613 56.287 0.038 0.000 0.974 287 K CB 0.457 32.984 32.500 0.045 0.000 0.997 287 K HN -0.076 nan 8.250 nan 0.000 0.547 288 K N 0.928 121.347 120.400 0.031 0.000 3.200 288 K HA -0.123 4.197 4.320 -0.000 0.000 0.272 288 K C 0.373 176.987 176.600 0.022 0.000 1.150 288 K CA 0.202 56.505 56.287 0.026 0.000 0.801 288 K CB -1.820 30.696 32.500 0.026 0.000 1.269 288 K HN 0.522 nan 8.250 nan 0.000 0.500 289 G N 0.654 109.467 108.800 0.021 0.000 2.514 289 G HA2 0.285 4.245 3.960 -0.000 0.000 0.245 289 G HA3 0.285 4.245 3.960 -0.000 0.000 0.245 289 G C -0.246 174.656 174.900 0.002 0.000 1.488 289 G CA -0.519 44.585 45.100 0.007 0.000 1.063 289 G HN 0.195 nan 8.290 nan 0.000 0.557 290 R N -0.824 119.664 120.500 -0.021 0.000 2.494 290 R HA 0.325 4.664 4.340 -0.000 0.000 0.305 290 R C 0.831 177.099 176.300 -0.054 0.000 0.959 290 R CA -0.783 55.297 56.100 -0.033 0.000 0.864 290 R CB 2.191 32.453 30.300 -0.063 0.000 1.159 290 R HN 0.441 nan 8.270 nan 0.000 0.446 291 I N 2.516 123.077 120.570 -0.016 0.000 2.908 291 I HA -0.313 3.857 4.170 -0.000 0.000 0.271 291 I C 1.480 177.552 176.117 -0.076 0.000 1.275 291 I CA 1.544 62.855 61.300 0.018 0.000 1.446 291 I CB 0.095 38.155 38.000 0.100 0.000 1.092 291 I HN 0.572 nan 8.210 nan 0.000 0.482 292 K N 0.481 120.680 120.400 -0.334 0.000 2.097 292 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 292 K C 1.689 178.123 176.600 -0.276 0.000 1.050 292 K CA 1.480 57.413 56.287 -0.589 0.000 0.938 292 K CB -0.091 31.999 32.500 -0.684 0.000 0.718 292 K HN 0.420 nan 8.250 nan 0.000 0.442 293 E N -0.088 119.998 120.200 -0.189 0.000 2.396 293 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 293 E C 1.422 177.897 176.600 -0.209 0.000 1.023 293 E CA 0.722 57.003 56.400 -0.198 0.000 0.857 293 E CB -0.182 29.424 29.700 -0.157 0.000 0.775 293 E HN 0.393 nan 8.360 nan 0.000 0.525 294 Y N 1.033 121.225 120.300 -0.179 0.000 2.298 294 Y HA -0.244 4.305 4.550 -0.000 0.000 0.287 294 Y C 1.713 177.511 175.900 -0.171 0.000 1.164 294 Y CA 0.956 59.002 58.100 -0.091 0.000 1.229 294 Y CB 0.072 38.563 38.460 0.051 0.000 0.977 294 Y HN 0.032 nan 8.280 nan 0.000 0.538 295 L N 0.284 121.328 121.223 -0.298 0.000 2.275 295 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 295 L C 1.449 178.076 176.870 -0.405 0.000 1.119 295 L CA 0.754 55.378 54.840 -0.359 0.000 0.790 295 L CB -0.554 41.376 42.059 -0.215 0.000 0.919 295 L HN 0.304 nan 8.230 nan 0.000 0.443 296 N N -0.896 117.517 118.700 -0.477 0.000 2.571 296 N HA -0.113 4.627 4.740 -0.000 0.000 0.189 296 N C 1.330 176.493 175.510 -0.579 0.000 1.154 296 N CA 0.814 53.568 53.050 -0.494 0.000 0.907 296 N CB -0.035 38.136 38.487 -0.526 0.000 0.977 296 N HN 0.475 nan 8.380 nan 0.000 0.449 297 H N -1.566 117.139 119.070 -0.608 0.000 2.800 297 H HA 0.227 4.783 4.556 -0.000 0.000 0.257 297 H C 0.135 175.122 175.328 -0.567 0.000 0.967 297 H CA 0.058 55.582 56.048 -0.873 0.000 1.192 297 H CB 0.451 29.267 29.762 -1.577 0.000 1.441 297 H HN -0.052 nan 8.280 nan 0.000 0.461 298 S N 1.230 116.622 115.700 -0.514 0.000 2.566 298 S HA 0.220 4.690 4.470 -0.000 0.000 0.324 298 S C 1.037 175.460 174.600 -0.296 0.000 1.081 298 S CA -0.289 57.675 58.200 -0.394 0.000 1.105 298 S CB 0.767 63.615 63.200 -0.586 0.000 0.981 298 S HN 0.337 nan 8.310 nan 0.000 0.464 299 S N 3.086 118.678 115.700 -0.180 0.000 2.522 299 S HA -0.034 4.436 4.470 -0.000 0.000 0.227 299 S C 1.427 175.956 174.600 -0.118 0.000 0.986 299 S CA 1.013 59.130 58.200 -0.137 0.000 0.929 299 S CB -0.216 62.928 63.200 -0.093 0.000 0.769 299 S HN 0.639 nan 8.310 nan 0.000 0.529 300 T N 1.143 115.619 114.554 -0.129 0.000 3.044 300 T HA 0.558 4.908 4.350 -0.000 0.000 0.250 300 T C 0.768 175.402 174.700 -0.111 0.000 1.081 300 T CA 0.394 62.430 62.100 -0.105 0.000 1.040 300 T CB -0.380 68.428 68.868 -0.099 0.000 0.962 300 T HN 0.614 nan 8.240 nan 0.000 0.506 301 A N 1.782 124.518 122.820 -0.140 0.000 2.280 301 A HA 0.680 5.000 4.320 -0.000 0.000 0.268 301 A C -0.346 177.240 177.584 0.004 0.000 1.111 301 A CA -0.434 51.568 52.037 -0.059 0.000 0.814 301 A CB 0.418 19.380 19.000 -0.064 0.000 1.093 301 A HN 0.577 nan 8.150 nan 0.000 0.498 302 K N -0.503 119.970 120.400 0.121 0.000 2.561 302 K HA 0.415 4.735 4.320 -0.000 0.000 0.254 302 K C -1.741 174.935 176.600 0.127 0.000 0.942 302 K CA -0.504 55.819 56.287 0.060 0.000 0.818 302 K CB 1.251 33.780 32.500 0.049 0.000 1.306 302 K HN 0.663 nan 8.250 nan 0.000 0.435 303 Y N 1.993 122.178 120.300 -0.190 0.000 2.419 303 Y HA 0.591 5.141 4.550 -0.000 0.000 0.328 303 Y C -1.301 174.312 175.900 -0.479 0.000 1.162 303 Y CA -1.022 56.983 58.100 -0.159 0.000 1.174 303 Y CB 1.130 39.537 38.460 -0.088 0.000 1.228 303 Y HN 0.558 nan 8.280 nan 0.000 0.473 304 F N 5.535 124.876 119.950 -1.016 0.000 2.513 304 F HA 0.421 4.948 4.527 -0.000 0.000 0.358 304 F C -2.450 172.769 175.800 -0.967 0.000 1.118 304 F CA -2.639 54.853 58.000 -0.847 0.000 1.037 304 F CB 1.150 39.608 39.000 -0.905 0.000 1.276 304 F HN 0.354 nan 8.300 nan 0.000 0.446 305 P HA 0.032 nan 4.420 nan 0.000 0.268 305 P C -0.108 177.109 177.300 -0.138 0.000 1.205 305 P CA 0.250 63.147 63.100 -0.340 0.000 0.771 305 P CB 0.390 32.041 31.700 -0.083 0.000 0.858 306 N N 0.264 118.930 118.700 -0.055 0.000 2.714 306 N HA -0.212 4.528 4.740 -0.000 0.000 0.252 306 N C -0.432 175.101 175.510 0.038 0.000 1.014 306 N CA 1.274 54.333 53.050 0.016 0.000 0.735 306 N CB -0.919 37.585 38.487 0.029 0.000 0.924 306 N HN 0.644 nan 8.380 nan 0.000 0.540 307 E N -0.292 119.942 120.200 0.056 0.000 2.393 307 E HA 0.416 4.766 4.350 -0.000 0.000 0.273 307 E C -0.491 176.211 176.600 0.170 0.000 0.918 307 E CA -0.784 55.693 56.400 0.129 0.000 0.773 307 E CB 2.045 31.861 29.700 0.192 0.000 1.275 307 E HN 0.032 nan 8.360 nan 0.000 0.451 308 K N 0.914 121.321 120.400 0.011 0.000 2.185 308 K HA 0.329 4.649 4.320 -0.000 0.000 0.240 308 K C -2.035 174.075 176.600 -0.816 0.000 0.983 308 K CA -1.866 54.244 56.287 -0.295 0.000 0.873 308 K CB 1.143 33.527 32.500 -0.193 0.000 1.118 308 K HN 0.116 nan 8.250 nan 0.000 0.441 309 P HA -0.047 nan 4.420 nan 0.000 0.233 309 P C 0.005 176.711 177.300 -0.990 0.000 1.167 309 P CA 0.615 62.759 63.100 -1.594 0.000 0.770 309 P CB 0.067 30.985 31.700 -1.303 0.000 0.837 310 W N -0.048 121.081 121.300 -0.285 0.000 2.389 310 W HA -0.054 4.606 4.660 -0.000 0.000 0.267 310 W C 2.085 178.518 176.519 -0.143 0.000 1.219 310 W CA 0.502 57.757 57.345 -0.150 0.000 1.189 310 W CB -1.260 28.160 29.460 -0.066 0.000 1.129 310 W HN 0.029 nan 8.180 nan 0.000 0.581 311 G N 0.029 108.777 108.800 -0.087 0.000 2.985 311 G HA2 0.095 4.055 3.960 -0.000 0.000 0.209 311 G HA3 0.095 4.055 3.960 -0.000 0.000 0.209 311 G C 0.124 174.948 174.900 -0.126 0.000 1.165 311 G CA -0.181 44.874 45.100 -0.075 0.000 0.776 311 G HN -0.009 nan 8.290 nan 0.000 0.541 312 V N 2.198 121.993 119.914 -0.199 0.000 2.432 312 V HA 0.228 4.348 4.120 -0.000 0.000 0.271 312 V C -1.994 174.074 176.094 -0.043 0.000 1.046 312 V CA -1.792 60.400 62.300 -0.181 0.000 0.945 312 V CB 1.468 33.130 31.823 -0.268 0.000 0.992 312 V HN 0.012 nan 8.190 nan 0.000 0.471 313 P HA 0.181 nan 4.420 nan 0.000 0.262 313 P C -0.365 176.974 177.300 0.063 0.000 1.182 313 P CA 0.162 63.284 63.100 0.036 0.000 0.761 313 P CB 0.231 31.951 31.700 0.035 0.000 0.795 314 C N 0.315 119.659 119.300 0.073 0.000 3.314 314 C HA 0.681 5.141 4.460 -0.000 0.000 0.344 314 C C 1.412 176.441 174.990 0.064 0.000 1.461 314 C CA 0.301 59.370 59.018 0.085 0.000 1.249 314 C CB 1.243 29.050 27.740 0.113 0.000 1.632 314 C HN 0.597 nan 8.230 nan 0.000 0.452 315 T N -1.400 113.190 114.554 0.060 0.000 2.999 315 T HA 0.353 4.703 4.350 -0.000 0.000 0.247 315 T C 0.202 174.904 174.700 0.003 0.000 1.012 315 T CA 0.184 62.301 62.100 0.028 0.000 1.048 315 T CB -0.181 68.704 68.868 0.028 0.000 1.020 315 T HN 0.702 nan 8.240 nan 0.000 0.478 316 L N 1.849 123.097 121.223 0.041 0.000 2.341 316 L HA 0.823 5.163 4.340 -0.000 0.000 0.278 316 L C -0.587 176.285 176.870 0.003 0.000 1.005 316 L CA -1.380 53.449 54.840 -0.019 0.000 0.818 316 L CB 1.922 44.081 42.059 0.167 0.000 1.259 316 L HN 0.210 nan 8.230 nan 0.000 0.418 317 A N 3.097 125.785 122.820 -0.220 0.000 2.318 317 A HA 0.804 5.124 4.320 -0.000 0.000 0.317 317 A C -1.128 176.305 177.584 -0.251 0.000 1.159 317 A CA -0.267 51.757 52.037 -0.021 0.000 0.799 317 A CB 0.453 19.433 19.000 -0.033 0.000 1.194 317 A HN 0.547 nan 8.150 nan 0.000 0.479 318 F N 3.163 123.224 119.950 0.186 0.000 2.453 318 F HA 0.338 4.865 4.527 -0.000 0.000 0.358 318 F C -2.436 173.500 175.800 0.227 0.000 1.129 318 F CA -2.286 55.787 58.000 0.122 0.000 1.200 318 F CB 1.740 40.772 39.000 0.053 0.000 1.431 318 F HN 0.305 nan 8.300 nan 0.000 0.503 319 P HA 0.056 nan 4.420 nan 0.000 0.263 319 P C -0.166 177.272 177.300 0.232 0.000 1.276 319 P CA 0.261 63.581 63.100 0.367 0.000 0.986 319 P CB 0.108 31.876 31.700 0.114 0.000 1.105 320 C N 3.264 122.695 119.300 0.217 0.000 2.741 320 C HA 0.563 5.023 4.460 -0.000 0.000 0.267 320 C C 1.558 176.611 174.990 0.104 0.000 1.549 320 C CA 0.113 59.209 59.018 0.130 0.000 1.772 320 C CB -1.128 26.669 27.740 0.094 0.000 2.962 320 C HN 0.492 nan 8.230 nan 0.000 0.514 321 A N 1.545 124.447 122.820 0.135 0.000 2.759 321 A HA 0.709 5.029 4.320 -0.000 0.000 0.214 321 A C 0.931 178.574 177.584 0.098 0.000 2.342 321 A CA 0.924 53.029 52.037 0.112 0.000 1.364 321 A CB -0.564 18.520 19.000 0.140 0.000 1.221 321 A HN 0.463 nan 8.150 nan 0.000 0.468 322 T N -2.222 112.401 114.554 0.114 0.000 2.807 322 T HA 0.557 4.907 4.350 -0.000 0.000 0.277 322 T C -0.529 174.232 174.700 0.101 0.000 1.006 322 T CA -0.706 61.450 62.100 0.094 0.000 1.006 322 T CB 0.789 69.710 68.868 0.087 0.000 1.274 322 T HN 0.416 nan 8.240 nan 0.000 0.569 323 Q N 1.340 121.196 119.800 0.092 0.000 2.332 323 Q HA 0.239 4.579 4.340 -0.000 0.000 0.263 323 Q C -0.063 175.986 176.000 0.083 0.000 0.979 323 Q CA -0.313 55.548 55.803 0.097 0.000 0.885 323 Q CB 0.304 29.105 28.738 0.105 0.000 1.218 323 Q HN 0.709 nan 8.270 nan 0.000 0.405 324 N N 1.706 120.451 118.700 0.075 0.000 2.747 324 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 324 N C 0.058 175.608 175.510 0.068 0.000 1.107 324 N CA 0.847 53.929 53.050 0.052 0.000 0.707 324 N CB -0.667 37.841 38.487 0.035 0.000 1.054 324 N HN 0.697 nan 8.380 nan 0.000 0.555 325 D N 0.481 120.941 120.400 0.100 0.000 2.087 325 D HA -0.041 4.599 4.640 -0.000 0.000 0.192 325 D C 0.521 176.898 176.300 0.128 0.000 0.993 325 D CA 1.156 55.262 54.000 0.176 0.000 0.828 325 D CB 0.207 41.154 40.800 0.246 0.000 0.968 325 D HN 0.191 nan 8.370 nan 0.000 0.448 326 V N 2.369 122.241 119.914 -0.070 0.000 2.455 326 V HA 0.197 4.317 4.120 -0.000 0.000 0.273 326 V C 0.153 176.157 176.094 -0.151 0.000 1.045 326 V CA -0.383 61.729 62.300 -0.314 0.000 0.976 326 V CB 1.037 32.572 31.823 -0.480 0.000 0.993 326 V HN 0.260 nan 8.190 nan 0.000 0.475 327 D N 3.713 124.036 120.400 -0.127 0.000 2.595 327 D HA 0.243 4.883 4.640 -0.000 0.000 0.268 327 D C 1.208 177.407 176.300 -0.168 0.000 1.181 327 D CA -0.764 53.172 54.000 -0.106 0.000 1.085 327 D CB 0.707 41.480 40.800 -0.046 0.000 1.186 327 D HN 0.239 nan 8.370 nan 0.000 0.621 328 L N -0.359 120.774 121.223 -0.151 0.000 1.994 328 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 328 L C 1.264 178.040 176.870 -0.157 0.000 1.071 328 L CA 1.880 56.610 54.840 -0.183 0.000 0.745 328 L CB -0.331 41.646 42.059 -0.138 0.000 0.892 328 L HN 0.393 nan 8.230 nan 0.000 0.431 329 D N -0.737 119.607 120.400 -0.094 0.000 2.178 329 D HA -0.210 4.430 4.640 -0.000 0.000 0.202 329 D C 2.122 178.395 176.300 -0.045 0.000 0.974 329 D CA 1.152 55.117 54.000 -0.059 0.000 0.841 329 D CB 0.054 40.839 40.800 -0.025 0.000 0.953 329 D HN 0.533 nan 8.370 nan 0.000 0.478 330 Q N 0.453 120.225 119.800 -0.047 0.000 2.172 330 Q HA -0.004 4.336 4.340 -0.000 0.000 0.200 330 Q C 2.157 178.116 176.000 -0.068 0.000 0.964 330 Q CA 1.108 56.907 55.803 -0.007 0.000 0.855 330 Q CB 0.000 28.724 28.738 -0.023 0.000 0.918 330 Q HN 0.169 nan 8.270 nan 0.000 0.444 331 A N 1.035 123.728 122.820 -0.211 0.000 2.066 331 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 331 A C 1.762 179.234 177.584 -0.187 0.000 1.157 331 A CA 1.035 52.856 52.037 -0.360 0.000 0.670 331 A CB -0.092 18.298 19.000 -1.018 0.000 0.804 331 A HN 0.143 nan 8.150 nan 0.000 0.453 332 K N -0.301 120.016 120.400 -0.138 0.000 2.062 332 K HA 0.070 4.390 4.320 -0.000 0.000 0.205 332 K C 1.780 178.374 176.600 -0.009 0.000 1.051 332 K CA 1.045 57.288 56.287 -0.074 0.000 0.941 332 K CB -0.303 32.155 32.500 -0.070 0.000 0.719 332 K HN 0.440 nan 8.250 nan 0.000 0.440 333 L N 1.001 122.232 121.223 0.014 0.000 1.994 333 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 333 L C 2.409 179.321 176.870 0.070 0.000 1.071 333 L CA 1.197 56.062 54.840 0.043 0.000 0.745 333 L CB -0.604 41.492 42.059 0.061 0.000 0.892 333 L HN 0.166 nan 8.230 nan 0.000 0.431 334 L N -0.569 120.721 121.223 0.112 0.000 2.012 334 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 334 L C 2.872 179.819 176.870 0.129 0.000 1.073 334 L CA 1.280 56.211 54.840 0.151 0.000 0.748 334 L CB -0.630 41.564 42.059 0.224 0.000 0.891 334 L HN 0.406 nan 8.230 nan 0.000 0.431 335 Q N 1.480 121.357 119.800 0.129 0.000 2.020 335 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 335 Q C 2.088 178.121 176.000 0.055 0.000 0.982 335 Q CA 2.343 58.206 55.803 0.100 0.000 0.838 335 Q CB -0.133 28.640 28.738 0.058 0.000 0.899 335 Q HN 0.635 nan 8.270 nan 0.000 0.423 336 K N -0.862 119.560 120.400 0.037 0.000 2.439 336 K HA -0.020 4.300 4.320 -0.000 0.000 0.197 336 K C 1.009 177.627 176.600 0.029 0.000 1.041 336 K CA 1.111 57.413 56.287 0.025 0.000 0.970 336 K CB 0.036 32.545 32.500 0.014 0.000 0.773 336 K HN 0.029 nan 8.250 nan 0.000 0.479 337 N N 0.367 119.092 118.700 0.041 0.000 2.336 337 N HA 0.057 4.797 4.740 -0.000 0.000 0.189 337 N C 0.757 176.291 175.510 0.039 0.000 1.113 337 N CA 0.958 54.032 53.050 0.039 0.000 0.858 337 N CB 1.183 39.697 38.487 0.044 0.000 0.970 337 N HN 0.569 nan 8.380 nan 0.000 0.471 338 G N -0.043 108.780 108.800 0.040 0.000 2.192 338 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.193 338 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.193 338 G C 0.287 175.204 174.900 0.029 0.000 0.999 338 G CA -0.120 44.999 45.100 0.031 0.000 0.659 338 G HN 0.425 nan 8.290 nan 0.000 0.503 339 C N 1.777 121.101 119.300 0.040 0.000 2.538 339 C HA 0.452 4.912 4.460 -0.000 0.000 0.408 339 C C 2.298 177.283 174.990 -0.008 0.000 1.421 339 C CA 0.889 59.917 59.018 0.017 0.000 1.642 339 C CB -0.865 26.894 27.740 0.032 0.000 2.553 339 C HN 0.837 nan 8.230 nan 0.000 0.604 340 I N 3.497 124.041 120.570 -0.043 0.000 4.323 340 I HA 0.465 4.635 4.170 -0.000 0.000 0.328 340 I C -0.057 176.000 176.117 -0.100 0.000 1.310 340 I CA 0.131 61.398 61.300 -0.056 0.000 1.186 340 I CB -0.065 37.905 38.000 -0.050 0.000 1.130 340 I HN 0.603 nan 8.210 nan 0.000 0.411 341 L N 0.948 122.077 121.223 -0.157 0.000 2.518 341 L HA 0.697 5.037 4.340 -0.000 0.000 0.257 341 L C -1.890 174.758 176.870 -0.370 0.000 0.980 341 L CA -0.709 53.999 54.840 -0.220 0.000 0.837 341 L CB 2.606 44.561 42.059 -0.172 0.000 1.410 341 L HN -0.182 nan 8.230 nan 0.000 0.410 342 V N 2.334 121.969 119.914 -0.464 0.000 2.531 342 V HA 0.707 4.827 4.120 -0.000 0.000 0.301 342 V C 0.184 175.916 176.094 -0.602 0.000 1.034 342 V CA -0.176 61.753 62.300 -0.619 0.000 0.865 342 V CB 1.781 33.116 31.823 -0.813 0.000 0.995 342 V HN 0.863 nan 8.190 nan 0.000 0.424 343 G N 3.191 111.599 108.800 -0.653 0.000 2.522 343 G HA2 0.492 4.452 3.960 -0.000 0.000 0.318 343 G HA3 0.492 4.452 3.960 -0.000 0.000 0.318 343 G C -0.393 174.334 174.900 -0.288 0.000 1.192 343 G CA -0.376 44.445 45.100 -0.465 0.000 0.988 343 G HN 0.703 nan 8.290 nan 0.000 0.480 344 E N 2.038 122.065 120.200 -0.289 0.000 2.159 344 E HA 0.196 4.546 4.350 -0.000 0.000 0.272 344 E C 1.223 177.795 176.600 -0.046 0.000 1.138 344 E CA -0.074 56.223 56.400 -0.171 0.000 0.915 344 E CB 1.365 30.940 29.700 -0.207 0.000 1.028 344 E HN 0.565 nan 8.360 nan 0.000 0.423 345 G N 3.041 111.864 108.800 0.040 0.000 2.459 345 G HA2 0.068 4.027 3.960 -0.000 0.000 0.213 345 G HA3 0.068 4.027 3.960 -0.000 0.000 0.213 345 G C 0.662 175.590 174.900 0.046 0.000 1.155 345 G CA 0.560 45.705 45.100 0.075 0.000 0.811 345 G HN 0.554 nan 8.290 nan 0.000 0.534 346 A N -0.174 122.679 122.820 0.056 0.000 2.336 346 A HA 0.535 4.855 4.320 -0.000 0.000 0.291 346 A C 0.088 177.699 177.584 0.045 0.000 1.266 346 A CA -0.636 51.433 52.037 0.053 0.000 0.891 346 A CB 0.235 19.281 19.000 0.077 0.000 1.366 346 A HN 0.192 nan 8.150 nan 0.000 0.507 347 N N 0.931 119.665 118.700 0.058 0.000 2.408 347 N HA 0.253 4.993 4.740 -0.000 0.000 0.257 347 N C 0.187 175.767 175.510 0.118 0.000 1.064 347 N CA 0.262 53.357 53.050 0.075 0.000 0.952 347 N CB 0.249 38.782 38.487 0.076 0.000 1.093 347 N HN 0.784 nan 8.380 nan 0.000 0.490 348 M N 2.864 122.540 119.600 0.127 0.000 2.351 348 M HA -0.136 4.344 4.480 -0.000 0.000 0.181 348 M C -1.819 174.557 176.300 0.127 0.000 0.852 348 M CA 0.122 55.512 55.300 0.150 0.000 0.520 348 M CB -0.914 31.800 32.600 0.190 0.000 1.076 348 M HN 0.313 nan 8.290 nan 0.000 0.881 349 P HA 0.005 nan 4.420 nan 0.000 0.220 349 P C 0.105 177.451 177.300 0.077 0.000 1.152 349 P CA 0.997 64.154 63.100 0.094 0.000 0.812 349 P CB 0.190 31.940 31.700 0.084 0.000 0.792 350 S N 0.098 115.872 115.700 0.123 0.000 2.523 350 S HA 0.223 4.693 4.470 -0.000 0.000 0.275 350 S C 0.534 175.164 174.600 0.049 0.000 1.281 350 S CA -0.172 58.098 58.200 0.117 0.000 1.050 350 S CB 0.515 63.912 63.200 0.328 0.000 0.937 350 S HN 0.056 nan 8.310 nan 0.000 0.492 351 T N 1.762 116.303 114.554 -0.022 0.000 2.748 351 T HA 0.098 4.447 4.350 -0.000 0.000 0.304 351 T C 1.666 176.317 174.700 -0.082 0.000 1.041 351 T CA -0.463 61.607 62.100 -0.050 0.000 1.033 351 T CB 0.337 69.159 68.868 -0.076 0.000 0.995 351 T HN 0.349 nan 8.240 nan 0.000 0.536 352 V N 2.127 121.991 119.914 -0.085 0.000 2.407 352 V HA -0.098 4.022 4.120 -0.000 0.000 0.248 352 V C 2.234 178.240 176.094 -0.146 0.000 1.055 352 V CA 1.729 63.964 62.300 -0.107 0.000 1.049 352 V CB -0.479 31.287 31.823 -0.096 0.000 0.662 352 V HN 0.764 nan 8.190 nan 0.000 0.455 353 D N 0.257 120.569 120.400 -0.147 0.000 2.224 353 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 353 D C 2.199 178.348 176.300 -0.252 0.000 0.965 353 D CA 1.380 55.276 54.000 -0.173 0.000 0.852 353 D CB -0.107 40.605 40.800 -0.147 0.000 0.947 353 D HN 0.438 nan 8.370 nan 0.000 0.494 354 A N 0.646 123.297 122.820 -0.281 0.000 1.898 354 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 354 A C 2.316 179.567 177.584 -0.554 0.000 1.181 354 A CA 0.670 52.421 52.037 -0.477 0.000 0.620 354 A CB -0.580 18.207 19.000 -0.355 0.000 0.819 354 A HN 0.163 nan 8.150 nan 0.000 0.442 355 I N 0.129 120.503 120.570 -0.326 0.000 2.127 355 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 355 I C 2.173 178.119 176.117 -0.285 0.000 1.075 355 I CA 1.612 62.680 61.300 -0.386 0.000 1.334 355 I CB -0.632 37.082 38.000 -0.476 0.000 1.040 355 I HN 0.291 nan 8.210 nan 0.000 0.405 356 N N 0.913 119.467 118.700 -0.243 0.000 2.094 356 N HA -0.221 4.519 4.740 -0.000 0.000 0.191 356 N C 1.687 177.094 175.510 -0.173 0.000 1.023 356 N CA 1.199 54.142 53.050 -0.177 0.000 0.857 356 N CB -0.521 37.873 38.487 -0.155 0.000 1.013 356 N HN 0.192 nan 8.380 nan 0.000 0.426 357 L N -0.191 120.871 121.223 -0.268 0.000 2.046 357 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 357 L C 1.734 178.495 176.870 -0.182 0.000 1.077 357 L CA 1.473 56.150 54.840 -0.272 0.000 0.747 357 L CB -0.571 41.233 42.059 -0.424 0.000 0.896 357 L HN 0.155 nan 8.230 nan 0.000 0.432 358 F N -0.287 119.597 119.950 -0.110 0.000 2.102 358 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 358 F C 2.417 178.187 175.800 -0.051 0.000 1.105 358 F CA 1.247 59.206 58.000 -0.070 0.000 1.239 358 F CB -0.270 38.697 39.000 -0.055 0.000 0.991 358 F HN -0.013 nan 8.300 nan 0.000 0.474 359 K N -0.353 120.108 120.400 0.103 0.000 2.097 359 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 359 K C 2.231 178.849 176.600 0.031 0.000 1.050 359 K CA 1.370 57.690 56.287 0.055 0.000 0.938 359 K CB -0.416 32.084 32.500 -0.001 0.000 0.718 359 K HN 0.086 nan 8.250 nan 0.000 0.442 360 S N 0.677 116.376 115.700 -0.002 0.000 2.447 360 S HA -0.039 4.431 4.470 -0.000 0.000 0.233 360 S C 0.798 175.401 174.600 0.004 0.000 1.006 360 S CA 0.587 58.780 58.200 -0.012 0.000 0.957 360 S CB -0.011 63.165 63.200 -0.040 0.000 0.773 360 S HN 0.188 nan 8.310 nan 0.000 0.507 364 I N 2.082 122.696 120.570 0.074 0.000 2.355 364 I HA 0.401 4.571 4.170 -0.000 0.000 0.288 364 I C 0.277 176.425 176.117 0.052 0.000 0.999 364 I CA -0.742 60.590 61.300 0.054 0.000 1.163 364 I CB 1.501 39.568 38.000 0.112 0.000 1.316 364 I HN 0.133 nan 8.210 nan 0.000 0.454 365 I N 7.049 127.621 120.570 0.005 0.000 2.752 365 I HA -0.157 4.013 4.170 -0.000 0.000 0.286 365 I C -0.571 175.567 176.117 0.035 0.000 1.180 365 I CA 0.660 61.990 61.300 0.049 0.000 1.404 365 I CB -0.256 37.754 38.000 0.016 0.000 1.389 365 I HN 0.444 nan 8.210 nan 0.000 0.549 366 Y N 7.108 127.401 120.300 -0.012 0.000 2.369 366 Y HA 0.364 4.914 4.550 -0.000 0.000 0.337 366 Y C -0.195 175.721 175.900 0.027 0.000 0.961 366 Y CA -0.877 57.192 58.100 -0.052 0.000 1.186 366 Y CB 0.885 39.343 38.460 -0.004 0.000 1.139 366 Y HN 0.553 nan 8.280 nan 0.000 0.494 367 C N 9.067 128.113 119.300 -0.423 0.000 2.246 367 C HA 0.357 4.817 4.460 -0.000 0.000 0.329 367 C C -2.213 172.544 174.990 -0.388 0.000 1.221 367 C CA -1.792 57.108 59.018 -0.196 0.000 1.697 367 C CB -0.216 27.519 27.740 -0.008 0.000 2.312 367 C HN 0.654 nan 8.230 nan 0.000 0.509 368 P HA 0.058 nan 4.420 nan 0.000 0.267 368 P C 0.866 178.070 177.300 -0.160 0.000 1.205 368 P CA 0.505 63.548 63.100 -0.096 0.000 0.765 368 P CB 0.756 32.447 31.700 -0.014 0.000 0.828 369 S N 3.870 119.518 115.700 -0.087 0.000 2.372 369 S HA -0.278 4.192 4.470 -0.000 0.000 0.227 369 S C 1.485 176.028 174.600 -0.095 0.000 1.044 369 S CA 1.746 59.900 58.200 -0.077 0.000 1.050 369 S CB -0.620 62.575 63.200 -0.008 0.000 0.901 369 S HN 0.405 nan 8.310 nan 0.000 0.447 370 K N 0.680 121.042 120.400 -0.064 0.000 2.127 370 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 370 K C 2.235 178.769 176.600 -0.111 0.000 1.047 370 K CA 1.509 57.761 56.287 -0.057 0.000 0.927 370 K CB -0.319 32.172 32.500 -0.014 0.000 0.716 370 K HN 0.507 nan 8.250 nan 0.000 0.450 371 A N 0.920 123.611 122.820 -0.215 0.000 1.938 371 A HA 0.269 4.589 4.320 -0.000 0.000 0.207 371 A C 2.322 179.549 177.584 -0.596 0.000 1.292 371 A CA 0.685 52.499 52.037 -0.372 0.000 0.700 371 A CB -0.476 18.252 19.000 -0.454 0.000 0.947 371 A HN 0.219 nan 8.150 nan 0.000 0.476 372 A N 1.335 123.720 122.820 -0.724 0.000 1.933 372 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 372 A C 1.621 179.110 177.584 -0.158 0.000 1.175 372 A CA 1.837 53.554 52.037 -0.534 0.000 0.628 372 A CB -0.565 18.240 19.000 -0.325 0.000 0.814 372 A HN 0.675 nan 8.150 nan 0.000 0.444 373 N N -0.289 118.338 118.700 -0.123 0.000 2.279 373 N HA 0.354 5.094 4.740 -0.000 0.000 0.226 373 N C 0.812 176.301 175.510 -0.036 0.000 1.126 373 N CA 0.670 53.696 53.050 -0.041 0.000 0.846 373 N CB 0.027 38.498 38.487 -0.026 0.000 1.050 373 N HN 0.232 nan 8.380 nan 0.000 0.502 374 A N -0.088 122.703 122.820 -0.050 0.000 2.167 374 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 374 A C 2.086 179.680 177.584 0.016 0.000 1.151 374 A CA 0.849 52.872 52.037 -0.024 0.000 0.735 374 A CB -0.872 18.110 19.000 -0.031 0.000 0.802 374 A HN 0.401 nan 8.150 nan 0.000 0.467 375 G N 0.031 108.858 108.800 0.046 0.000 2.450 375 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.220 375 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.220 375 G C 1.449 176.369 174.900 0.033 0.000 1.130 375 G CA 1.139 46.285 45.100 0.076 0.000 0.760 375 G HN 0.630 nan 8.290 nan 0.000 0.557 376 G N 0.117 108.919 108.800 0.003 0.000 2.432 376 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.219 376 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.219 376 G C 1.637 176.520 174.900 -0.028 0.000 1.135 376 G CA 1.103 46.187 45.100 -0.027 0.000 0.767 376 G HN 0.342 nan 8.290 nan 0.000 0.550 377 V N 0.847 120.751 119.914 -0.015 0.000 2.788 377 V HA 0.092 4.212 4.120 -0.000 0.000 0.251 377 V C 3.132 179.226 176.094 0.000 0.000 1.068 377 V CA 1.417 63.708 62.300 -0.015 0.000 1.090 377 V CB -0.056 31.758 31.823 -0.015 0.000 0.710 377 V HN 0.455 nan 8.190 nan 0.000 0.467 378 A N 0.421 123.253 122.820 0.019 0.000 1.858 378 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 378 A C 2.119 179.723 177.584 0.033 0.000 1.190 378 A CA 1.619 53.680 52.037 0.041 0.000 0.617 378 A CB -0.482 18.560 19.000 0.070 0.000 0.827 378 A HN 0.360 nan 8.150 nan 0.000 0.443 379 I N 0.440 121.020 120.570 0.015 0.000 2.335 379 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 379 I C 2.775 178.860 176.117 -0.055 0.000 1.129 379 I CA 1.876 63.166 61.300 -0.015 0.000 1.402 379 I CB -1.139 36.834 38.000 -0.045 0.000 1.069 379 I HN 0.500 nan 8.210 nan 0.000 0.424 380 S N 1.198 116.869 115.700 -0.049 0.000 2.359 380 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 380 S C 2.184 176.756 174.600 -0.046 0.000 1.035 380 S CA 1.799 59.961 58.200 -0.064 0.000 1.018 380 S CB -0.621 62.551 63.200 -0.046 0.000 0.876 380 S HN 0.490 nan 8.310 nan 0.000 0.448 381 G N 1.138 109.936 108.800 -0.003 0.000 2.422 381 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.218 381 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.218 381 G C 1.445 176.366 174.900 0.036 0.000 1.140 381 G CA 0.744 45.865 45.100 0.035 0.000 0.775 381 G HN 0.538 nan 8.290 nan 0.000 0.545 382 L N -0.082 121.148 121.223 0.010 0.000 2.291 382 L HA 0.064 4.404 4.340 -0.000 0.000 0.214 382 L C 2.611 179.333 176.870 -0.248 0.000 1.120 382 L CA 0.916 55.739 54.840 -0.029 0.000 0.799 382 L CB -0.216 41.875 42.059 0.053 0.000 0.925 382 L HN 0.329 nan 8.230 nan 0.000 0.446 383 E N 0.574 120.652 120.200 -0.202 0.000 2.072 383 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 383 E C 2.355 178.800 176.600 -0.258 0.000 0.982 383 E CA 0.992 57.232 56.400 -0.266 0.000 0.803 383 E CB 0.063 29.627 29.700 -0.226 0.000 0.755 383 E HN 0.407 nan 8.360 nan 0.000 0.453 384 M N -0.080 119.418 119.600 -0.170 0.000 2.099 384 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 384 M C 2.639 178.909 176.300 -0.050 0.000 1.067 384 M CA 1.168 56.349 55.300 -0.199 0.000 1.124 384 M CB -0.265 32.340 32.600 0.007 0.000 1.353 384 M HN 0.065 nan 8.290 nan 0.000 0.410 385 S N 0.195 115.963 115.700 0.114 0.000 2.370 385 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 385 S C 1.835 176.490 174.600 0.091 0.000 1.033 385 S CA 1.532 59.884 58.200 0.252 0.000 1.011 385 S CB -0.162 63.218 63.200 0.300 0.000 0.852 385 S HN 0.503 nan 8.310 nan 0.000 0.457 386 Q N 0.194 119.816 119.800 -0.296 0.000 2.230 386 Q HA 0.007 4.347 4.340 -0.000 0.000 0.202 386 Q C 1.903 177.808 176.000 -0.158 0.000 0.963 386 Q CA 1.198 56.748 55.803 -0.421 0.000 0.866 386 Q CB -0.233 28.018 28.738 -0.811 0.000 0.931 386 Q HN 0.686 nan 8.270 nan 0.000 0.452 387 N N -0.384 118.209 118.700 -0.179 0.000 2.300 387 N HA -0.039 4.701 4.740 -0.000 0.000 0.179 387 N C 1.338 176.844 175.510 -0.007 0.000 1.016 387 N CA 0.526 53.487 53.050 -0.150 0.000 0.876 387 N CB 0.034 38.323 38.487 -0.330 0.000 0.979 387 N HN 0.135 nan 8.380 nan 0.000 0.432 388 F N 1.576 121.587 119.950 0.101 0.000 2.206 388 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 388 F C 2.273 178.180 175.800 0.179 0.000 1.090 388 F CA 0.715 58.794 58.000 0.133 0.000 1.323 388 F CB 0.058 39.116 39.000 0.097 0.000 1.028 388 F HN -0.017 nan 8.300 nan 0.000 0.492 389 Q N -0.695 119.330 119.800 0.376 0.000 2.451 389 Q HA -0.063 4.277 4.340 -0.000 0.000 0.206 389 Q C 0.044 176.278 176.000 0.391 0.000 0.947 389 Q CA 0.029 56.035 55.803 0.338 0.000 0.937 389 Q CB 0.054 29.003 28.738 0.351 0.000 1.025 389 Q HN 0.325 nan 8.270 nan 0.000 0.511 390 F N 0.958 120.992 119.950 0.141 0.000 3.039 390 F HA -0.293 4.234 4.527 -0.000 0.000 0.287 390 F C -0.329 175.542 175.800 0.119 0.000 0.956 390 F CA 0.783 58.854 58.000 0.119 0.000 0.971 390 F CB -1.194 37.879 39.000 0.121 0.000 0.943 390 F HN 0.026 nan 8.300 nan 0.000 0.766 391 S N -0.154 115.605 115.700 0.098 0.000 2.745 391 S HA 0.741 5.211 4.470 -0.000 0.000 0.306 391 S C -1.184 173.414 174.600 -0.004 0.000 1.137 391 S CA -0.324 57.942 58.200 0.110 0.000 0.900 391 S CB 1.640 65.027 63.200 0.311 0.000 1.176 391 S HN 0.461 nan 8.310 nan 0.000 0.520 392 H N 0.953 119.985 119.070 -0.062 0.000 2.895 392 H HA 0.398 4.954 4.556 -0.000 0.000 0.282 392 H C -1.314 174.038 175.328 0.040 0.000 1.338 392 H CA -0.509 55.450 56.048 -0.148 0.000 1.595 392 H CB -0.187 29.505 29.762 -0.116 0.000 1.771 392 H HN 0.472 nan 8.280 nan 0.000 0.573 393 W N 2.764 123.916 121.300 -0.247 0.000 2.112 393 W HA 0.222 4.882 4.660 -0.000 0.000 0.349 393 W C 0.819 177.167 176.519 -0.285 0.000 1.289 393 W CA -0.334 56.893 57.345 -0.196 0.000 1.256 393 W CB -0.196 29.190 29.460 -0.123 0.000 1.148 393 W HN 0.546 nan 8.180 nan 0.000 0.590 394 T N -1.264 113.350 114.554 0.100 0.000 2.748 394 T HA 0.138 4.488 4.350 -0.000 0.000 0.304 394 T C 1.286 175.997 174.700 0.018 0.000 1.041 394 T CA -0.386 61.727 62.100 0.021 0.000 1.033 394 T CB 1.114 70.005 68.868 0.039 0.000 0.995 394 T HN 0.501 nan 8.240 nan 0.000 0.536 395 R N 0.166 120.670 120.500 0.006 0.000 2.115 395 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 395 R C 1.954 178.287 176.300 0.056 0.000 1.111 395 R CA 1.541 57.654 56.100 0.022 0.000 0.976 395 R CB -0.239 30.075 30.300 0.023 0.000 0.870 395 R HN 0.778 nan 8.270 nan 0.000 0.445 396 E N -0.805 119.423 120.200 0.046 0.000 2.152 396 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 396 E C 1.780 178.402 176.600 0.037 0.000 0.983 396 E CA 1.562 57.987 56.400 0.042 0.000 0.818 396 E CB -0.043 29.671 29.700 0.025 0.000 0.758 396 E HN 0.235 nan 8.360 nan 0.000 0.467 397 T N -0.007 114.574 114.554 0.045 0.000 2.812 397 T HA -0.072 4.278 4.350 -0.000 0.000 0.264 397 T C 1.970 176.723 174.700 0.088 0.000 1.042 397 T CA 0.961 63.075 62.100 0.024 0.000 1.140 397 T CB -0.173 68.695 68.868 -0.001 0.000 0.870 397 T HN -0.031 nan 8.240 nan 0.000 0.445 398 V N 1.886 121.908 119.914 0.180 0.000 2.343 398 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 398 V C 2.389 178.573 176.094 0.150 0.000 1.051 398 V CA 1.887 64.321 62.300 0.222 0.000 1.036 398 V CB -0.564 31.351 31.823 0.153 0.000 0.654 398 V HN 0.445 nan 8.190 nan 0.000 0.451 399 D N -0.276 120.201 120.400 0.129 0.000 2.144 399 D HA -0.161 4.478 4.640 -0.000 0.000 0.199 399 D C 2.223 178.558 176.300 0.058 0.000 0.984 399 D CA 0.955 55.045 54.000 0.151 0.000 0.834 399 D CB -0.025 40.870 40.800 0.159 0.000 0.955 399 D HN 0.303 nan 8.370 nan 0.000 0.465 400 E N 0.404 120.612 120.200 0.013 0.000 2.110 400 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 400 E C 2.080 178.649 176.600 -0.051 0.000 0.988 400 E CA 0.775 57.145 56.400 -0.051 0.000 0.804 400 E CB -0.104 29.565 29.700 -0.052 0.000 0.745 400 E HN 0.422 nan 8.360 nan 0.000 0.458 401 K N 0.332 120.734 120.400 0.003 0.000 2.097 401 K HA -0.107 4.212 4.320 -0.000 0.000 0.205 401 K C 2.157 178.783 176.600 0.044 0.000 1.050 401 K CA 0.565 56.866 56.287 0.023 0.000 0.938 401 K CB -0.167 32.380 32.500 0.077 0.000 0.718 401 K HN 0.003 nan 8.250 nan 0.000 0.442 402 L N 1.929 123.199 121.223 0.077 0.000 2.141 402 L HA -0.149 4.190 4.340 -0.000 0.000 0.209 402 L C 1.683 178.579 176.870 0.043 0.000 1.094 402 L CA 1.779 56.697 54.840 0.129 0.000 0.763 402 L CB -0.122 42.087 42.059 0.250 0.000 0.908 402 L HN -0.011 nan 8.230 nan 0.000 0.437 403 K N -0.653 119.634 120.400 -0.188 0.000 2.062 403 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 403 K C 2.024 178.518 176.600 -0.176 0.000 1.051 403 K CA 1.430 57.444 56.287 -0.454 0.000 0.941 403 K CB -0.124 31.989 32.500 -0.644 0.000 0.719 403 K HN 0.460 nan 8.250 nan 0.000 0.440 404 E N 1.247 121.389 120.200 -0.095 0.000 2.152 404 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 404 E C 1.937 178.548 176.600 0.019 0.000 0.983 404 E CA 0.567 56.944 56.400 -0.038 0.000 0.818 404 E CB 0.112 29.791 29.700 -0.035 0.000 0.758 404 E HN 0.233 nan 8.360 nan 0.000 0.467 405 I N 0.737 121.332 120.570 0.042 0.000 2.202 405 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 405 I C 2.284 178.475 176.117 0.125 0.000 1.091 405 I CA 0.744 62.091 61.300 0.080 0.000 1.368 405 I CB -0.177 37.877 38.000 0.091 0.000 1.058 405 I HN 0.245 nan 8.210 nan 0.000 0.410 406 M N -0.135 119.557 119.600 0.154 0.000 2.374 406 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 406 M C 2.222 178.675 176.300 0.255 0.000 1.067 406 M CA 1.404 56.859 55.300 0.259 0.000 1.103 406 M CB -1.405 31.391 32.600 0.327 0.000 1.402 406 M HN 0.233 nan 8.290 nan 0.000 0.444 407 R N 0.184 120.768 120.500 0.139 0.000 2.119 407 R HA -0.065 4.275 4.340 -0.000 0.000 0.222 407 R C 1.659 178.057 176.300 0.165 0.000 1.088 407 R CA 0.874 57.052 56.100 0.130 0.000 0.984 407 R CB 0.112 30.439 30.300 0.046 0.000 0.884 407 R HN 0.297 nan 8.270 nan 0.000 0.447 408 N N 0.873 119.647 118.700 0.123 0.000 2.188 408 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 408 N C 1.772 177.353 175.510 0.120 0.000 1.018 408 N CA 1.131 54.238 53.050 0.095 0.000 0.858 408 N CB -0.071 38.456 38.487 0.067 0.000 0.989 408 N HN 0.284 nan 8.380 nan 0.000 0.426 409 I N -0.142 120.543 120.570 0.191 0.000 2.202 409 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 409 I C 2.045 178.359 176.117 0.329 0.000 1.091 409 I CA 0.818 62.259 61.300 0.234 0.000 1.368 409 I CB -0.267 37.895 38.000 0.270 0.000 1.058 409 I HN -0.008 nan 8.210 nan 0.000 0.410 410 F N 1.775 121.894 119.950 0.281 0.000 2.171 410 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 410 F C 2.197 178.005 175.800 0.014 0.000 1.090 410 F CA 1.520 59.583 58.000 0.104 0.000 1.293 410 F CB -0.252 38.565 39.000 -0.305 0.000 1.013 410 F HN -0.088 nan 8.300 nan 0.000 0.486 411 I N 0.181 120.660 120.570 -0.153 0.000 2.315 411 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 411 I C 2.636 178.620 176.117 -0.221 0.000 1.117 411 I CA 1.134 62.286 61.300 -0.245 0.000 1.404 411 I CB -0.793 37.185 38.000 -0.036 0.000 1.071 411 I HN 0.251 nan 8.210 nan 0.000 0.419 412 A N -0.393 122.364 122.820 -0.104 0.000 1.968 412 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 412 A C 2.348 179.874 177.584 -0.097 0.000 1.169 412 A CA 1.349 53.344 52.037 -0.070 0.000 0.638 412 A CB -0.966 18.028 19.000 -0.010 0.000 0.812 412 A HN 0.527 nan 8.150 nan 0.000 0.446 413 C N -0.848 118.383 119.300 -0.115 0.000 2.464 413 C HA 0.039 4.499 4.460 -0.000 0.000 0.278 413 C C 3.178 178.037 174.990 -0.219 0.000 1.375 413 C CA 1.002 59.960 59.018 -0.099 0.000 1.761 413 C CB -1.006 26.757 27.740 0.038 0.000 1.944 413 C HN 0.598 nan 8.230 nan 0.000 0.509 414 S N 1.011 116.443 115.700 -0.446 0.000 2.345 414 S HA -0.131 4.339 4.470 -0.000 0.000 0.219 414 S C 1.728 176.146 174.600 -0.303 0.000 1.031 414 S CA 1.237 59.123 58.200 -0.523 0.000 0.984 414 S CB -0.292 62.400 63.200 -0.847 0.000 0.874 414 S HN 0.687 nan 8.310 nan 0.000 0.451 415 E N 1.634 121.690 120.200 -0.240 0.000 2.077 415 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 415 E C 0.852 177.411 176.600 -0.068 0.000 0.989 415 E CA 0.609 56.925 56.400 -0.140 0.000 0.800 415 E CB -0.208 29.425 29.700 -0.112 0.000 0.746 415 E HN 0.324 nan 8.360 nan 0.000 0.452 416 N N 1.675 120.361 118.700 -0.023 0.000 2.523 416 N HA -0.056 4.684 4.740 -0.000 0.000 0.208 416 N C 1.224 176.817 175.510 0.138 0.000 1.313 416 N CA 0.079 53.202 53.050 0.121 0.000 0.853 416 N CB 0.213 38.747 38.487 0.079 0.000 1.090 416 N HN 0.103 nan 8.380 nan 0.000 0.463 417 L N 1.185 122.372 121.223 -0.060 0.000 2.924 417 L HA -0.443 3.896 4.340 -0.000 0.000 0.200 417 L C 1.945 178.775 176.870 -0.067 0.000 1.115 417 L CA 2.244 57.046 54.840 -0.063 0.000 0.826 417 L CB -0.915 41.087 42.059 -0.094 0.000 0.938 417 L HN 0.260 nan 8.230 nan 0.000 0.445 418 K N -2.260 118.082 120.400 -0.097 0.000 2.097 418 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 418 K C 1.718 178.113 176.600 -0.341 0.000 1.050 418 K CA 2.004 58.150 56.287 -0.235 0.000 0.938 418 K CB -0.278 32.033 32.500 -0.315 0.000 0.718 418 K HN 0.632 nan 8.250 nan 0.000 0.442 419 Y N -0.745 119.526 120.300 -0.050 0.000 2.442 419 Y HA 0.068 4.617 4.550 -0.000 0.000 0.250 419 Y C 1.666 177.539 175.900 -0.045 0.000 1.113 419 Y CA 0.727 58.798 58.100 -0.049 0.000 1.273 419 Y CB 1.245 39.661 38.460 -0.074 0.000 1.138 419 Y HN 0.246 nan 8.280 nan 0.000 0.522 420 T N -4.619 109.985 114.554 0.084 0.000 3.087 420 T HA 0.180 4.530 4.350 -0.000 0.000 0.283 420 T C 0.731 175.446 174.700 0.024 0.000 0.956 420 T CA -0.210 61.917 62.100 0.046 0.000 0.894 420 T CB 0.082 68.971 68.868 0.035 0.000 1.160 420 T HN 0.082 nan 8.240 nan 0.000 0.532 421 K N 0.623 121.027 120.400 0.007 0.000 3.363 421 K HA -0.320 4.000 4.320 -0.000 0.000 0.313 421 K C 0.897 177.508 176.600 0.018 0.000 1.259 421 K CA 1.333 57.620 56.287 0.000 0.000 0.942 421 K CB -1.970 30.530 32.500 0.001 0.000 1.229 421 K HN 0.688 nan 8.250 nan 0.000 0.440 422 N N 0.673 119.390 118.700 0.028 0.000 2.197 422 N HA -0.174 4.565 4.740 -0.000 0.000 0.184 422 N C 1.246 176.800 175.510 0.073 0.000 1.030 422 N CA 1.736 54.821 53.050 0.059 0.000 0.851 422 N CB 0.142 38.668 38.487 0.065 0.000 1.003 422 N HN 0.242 nan 8.380 nan 0.000 0.430 423 K N -2.266 118.131 120.400 -0.005 0.000 3.030 423 K HA -0.221 4.099 4.320 -0.000 0.000 0.384 423 K C -0.432 175.975 176.600 -0.322 0.000 0.560 423 K CA 1.599 57.795 56.287 -0.151 0.000 1.690 423 K CB -1.844 30.587 32.500 -0.114 0.000 1.009 423 K HN 0.368 nan 8.250 nan 0.000 0.444 424 Y N 1.168 121.494 120.300 0.043 0.000 2.681 424 Y HA 0.335 4.885 4.550 -0.000 0.000 0.267 424 Y C 0.107 176.057 175.900 0.083 0.000 1.166 424 Y CA -0.119 58.027 58.100 0.077 0.000 1.209 424 Y CB 0.811 39.321 38.460 0.085 0.000 1.161 424 Y HN 0.137 nan 8.280 nan 0.000 0.534 425 D N 0.983 121.456 120.400 0.122 0.000 2.741 425 D HA 0.093 4.732 4.640 -0.000 0.000 0.233 425 D C 1.135 177.482 176.300 0.077 0.000 1.160 425 D CA 0.208 54.269 54.000 0.101 0.000 1.003 425 D CB -0.127 40.708 40.800 0.058 0.000 1.064 425 D HN 0.348 nan 8.370 nan 0.000 0.503 426 L N 0.724 122.024 121.223 0.128 0.000 2.187 426 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 426 L C 2.386 179.308 176.870 0.087 0.000 1.100 426 L CA 0.920 55.835 54.840 0.125 0.000 0.765 426 L CB -0.256 41.947 42.059 0.239 0.000 0.904 426 L HN 0.374 nan 8.230 nan 0.000 0.437 427 Q N -0.016 119.849 119.800 0.107 0.000 2.124 427 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 427 Q C 2.302 178.297 176.000 -0.009 0.000 0.977 427 Q CA 1.730 57.577 55.803 0.073 0.000 0.850 427 Q CB 0.008 28.810 28.738 0.107 0.000 0.901 427 Q HN 0.538 nan 8.270 nan 0.000 0.429 428 A N -0.105 122.702 122.820 -0.021 0.000 1.898 428 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 428 A C 2.212 179.736 177.584 -0.099 0.000 1.183 428 A CA 1.256 53.244 52.037 -0.081 0.000 0.622 428 A CB -1.049 17.914 19.000 -0.062 0.000 0.824 428 A HN 0.555 nan 8.150 nan 0.000 0.444 429 G N -0.244 108.525 108.800 -0.052 0.000 2.418 429 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.217 429 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.217 429 G C 1.750 176.615 174.900 -0.058 0.000 1.158 429 G CA 1.492 46.559 45.100 -0.054 0.000 0.771 429 G HN 0.755 nan 8.290 nan 0.000 0.545 430 A N 1.263 124.060 122.820 -0.037 0.000 1.877 430 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 430 A C 2.303 179.847 177.584 -0.068 0.000 1.186 430 A CA 1.875 53.892 52.037 -0.034 0.000 0.620 430 A CB -0.487 18.496 19.000 -0.029 0.000 0.822 430 A HN 0.354 nan 8.150 nan 0.000 0.443 431 N N 0.001 118.625 118.700 -0.127 0.000 2.120 431 N HA -0.082 4.658 4.740 -0.000 0.000 0.188 431 N C 1.743 177.088 175.510 -0.276 0.000 1.024 431 N CA 1.522 54.425 53.050 -0.244 0.000 0.852 431 N CB -0.370 37.933 38.487 -0.307 0.000 1.003 431 N HN 0.566 nan 8.380 nan 0.000 0.424 432 I N 1.135 121.550 120.570 -0.259 0.000 2.163 432 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 432 I C 2.395 178.414 176.117 -0.162 0.000 1.081 432 I CA 0.898 62.018 61.300 -0.300 0.000 1.353 432 I CB -0.324 37.441 38.000 -0.391 0.000 1.054 432 I HN 0.040 nan 8.210 nan 0.000 0.407 433 A N 0.903 123.665 122.820 -0.097 0.000 1.877 433 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 433 A C 2.402 179.980 177.584 -0.009 0.000 1.186 433 A CA 1.985 53.997 52.037 -0.042 0.000 0.620 433 A CB -1.468 17.519 19.000 -0.022 0.000 0.822 433 A HN 0.476 nan 8.150 nan 0.000 0.443 434 G N -1.982 106.833 108.800 0.024 0.000 2.443 434 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 434 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 434 G C 1.386 176.429 174.900 0.237 0.000 1.131 434 G CA 1.126 46.301 45.100 0.124 0.000 0.775 434 G HN 0.511 nan 8.290 nan 0.000 0.547 435 F N 0.524 120.435 119.950 -0.065 0.000 2.317 435 F HA 0.325 4.852 4.527 -0.000 0.000 0.293 435 F C 2.313 178.000 175.800 -0.187 0.000 1.085 435 F CA 0.325 58.260 58.000 -0.109 0.000 1.390 435 F CB -0.038 38.707 39.000 -0.426 0.000 1.077 435 F HN -0.015 nan 8.300 nan 0.000 0.517 436 L N 0.557 121.653 121.223 -0.211 0.000 2.042 436 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 436 L C 2.550 179.273 176.870 -0.244 0.000 1.076 436 L CA 1.805 56.438 54.840 -0.344 0.000 0.749 436 L CB -0.596 41.353 42.059 -0.183 0.000 0.893 436 L HN 0.156 nan 8.230 nan 0.000 0.432 437 K N -0.267 120.055 120.400 -0.129 0.000 2.057 437 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 437 K C 1.961 178.512 176.600 -0.082 0.000 1.050 437 K CA 1.130 57.374 56.287 -0.071 0.000 0.935 437 K CB 0.111 32.594 32.500 -0.029 0.000 0.715 437 K HN 0.068 nan 8.250 nan 0.000 0.439 438 V N 1.087 120.929 119.914 -0.119 0.000 2.515 438 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 438 V C 2.290 178.309 176.094 -0.124 0.000 1.058 438 V CA 1.852 64.090 62.300 -0.103 0.000 1.064 438 V CB -0.275 31.488 31.823 -0.101 0.000 0.675 438 V HN 0.470 nan 8.190 nan 0.000 0.461 439 A N -0.356 122.263 122.820 -0.334 0.000 1.855 439 A HA -0.173 4.147 4.320 -0.000 0.000 0.213 439 A C 2.137 179.749 177.584 0.046 0.000 1.195 439 A CA 1.495 53.383 52.037 -0.248 0.000 0.610 439 A CB -0.482 18.085 19.000 -0.721 0.000 0.837 439 A HN 0.538 nan 8.150 nan 0.000 0.444 440 E N 0.045 120.262 120.200 0.028 0.000 2.070 440 E HA -0.175 4.174 4.350 -0.000 0.000 0.197 440 E C 2.337 178.995 176.600 0.097 0.000 1.004 440 E CA 1.648 58.117 56.400 0.116 0.000 0.805 440 E CB -0.183 29.568 29.700 0.085 0.000 0.744 440 E HN 0.552 nan 8.360 nan 0.000 0.451 441 S N -0.098 115.648 115.700 0.077 0.000 2.370 441 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 441 S C 1.712 176.421 174.600 0.182 0.000 1.033 441 S CA 1.251 59.512 58.200 0.103 0.000 1.011 441 S CB -0.406 62.843 63.200 0.082 0.000 0.852 441 S HN 0.366 nan 8.310 nan 0.000 0.457 442 Y N 1.956 122.312 120.300 0.093 0.000 2.165 442 Y HA -0.120 4.430 4.550 -0.000 0.000 0.286 442 Y C 1.855 177.874 175.900 0.198 0.000 1.155 442 Y CA 1.064 59.265 58.100 0.168 0.000 1.164 442 Y CB -0.523 37.976 38.460 0.065 0.000 0.978 442 Y HN 0.204 nan 8.280 nan 0.000 0.513 443 I N 0.100 120.684 120.570 0.024 0.000 2.252 443 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 443 I C 2.259 178.389 176.117 0.021 0.000 1.102 443 I CA 1.725 63.017 61.300 -0.014 0.000 1.385 443 I CB -0.383 37.650 38.000 0.055 0.000 1.064 443 I HN 0.240 nan 8.210 nan 0.000 0.414 444 E N 0.325 120.556 120.200 0.052 0.000 2.160 444 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 444 E C 1.891 178.515 176.600 0.040 0.000 0.991 444 E CA 1.018 57.446 56.400 0.048 0.000 0.810 444 E CB -0.039 29.691 29.700 0.050 0.000 0.742 444 E HN 0.565 nan 8.360 nan 0.000 0.466 445 Q N -0.349 119.489 119.800 0.062 0.000 2.403 445 Q HA 0.138 4.478 4.340 -0.000 0.000 0.203 445 Q C 0.576 176.624 176.000 0.081 0.000 0.932 445 Q CA 0.166 56.007 55.803 0.063 0.000 0.945 445 Q CB 0.895 29.697 28.738 0.107 0.000 1.045 445 Q HN 0.253 nan 8.270 nan 0.000 0.511 446 G N 0.728 109.555 108.800 0.045 0.000 2.725 446 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 446 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 446 G C -0.494 174.458 174.900 0.088 0.000 1.357 446 G CA -0.549 44.581 45.100 0.050 0.000 0.866 446 G HN 0.324 nan 8.290 nan 0.000 0.548 447 C N 1.939 121.294 119.300 0.092 0.000 2.540 447 C HA 0.736 5.196 4.460 -0.000 0.000 0.377 447 C C 0.437 175.609 174.990 0.303 0.000 1.274 447 C CA 0.471 59.556 59.018 0.111 0.000 1.718 447 C CB -2.584 25.184 27.740 0.046 0.000 2.391 447 C HN 1.654 nan 8.230 nan 0.000 0.565 448 F N 0.000 120.041 119.950 0.152 0.000 2.286 448 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 448 F CA 0.000 58.111 58.000 0.186 0.000 1.383 448 F CB 0.000 39.093 39.000 0.156 0.000 1.145 448 F HN 0.000 nan 8.300 nan 0.000 0.574