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 1uf2_1_G DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVXX DATA SEQUENCE XXYVSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.726 176.300 0.710 0.000 1.140 1 M CA 0.000 55.539 55.300 0.399 0.000 0.988 1 M CB 0.000 32.673 32.600 0.122 0.000 1.302 2 S N 1.820 117.758 115.700 0.397 0.000 2.536 2 S HA -0.067 4.403 4.470 -0.000 0.000 0.290 2 S C 1.223 176.032 174.600 0.349 0.000 1.302 2 S CA 0.806 59.185 58.200 0.298 0.000 1.037 2 S CB 0.487 63.765 63.200 0.130 0.000 0.804 2 S HN 0.609 nan 8.310 nan 0.000 0.506 3 R N 2.583 123.027 120.500 -0.093 0.000 2.096 3 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 3 R C 1.975 178.251 176.300 -0.039 0.000 1.127 3 R CA 1.967 57.771 56.100 -0.492 0.000 0.968 3 R CB -0.851 28.788 30.300 -1.103 0.000 0.861 3 R HN 0.711 nan 8.270 nan 0.000 0.440 4 Q N 0.975 120.757 119.800 -0.031 0.000 2.084 4 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 4 Q C 2.298 178.378 176.000 0.134 0.000 0.978 4 Q CA 2.173 57.999 55.803 0.038 0.000 0.844 4 Q CB -0.195 28.547 28.738 0.007 0.000 0.898 4 Q HN 0.445 nan 8.270 nan 0.000 0.426 5 M N -1.679 118.011 119.600 0.150 0.000 2.080 5 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 5 M C 1.660 178.059 176.300 0.165 0.000 1.068 5 M CA 1.738 57.106 55.300 0.113 0.000 1.109 5 M CB -0.496 32.142 32.600 0.065 0.000 1.342 5 M HN 0.310 nan 8.290 nan 0.000 0.405 6 W N 0.774 122.225 121.300 0.252 0.000 2.333 6 W HA -0.190 4.470 4.660 -0.000 0.000 0.316 6 W C 2.181 178.877 176.519 0.296 0.000 1.215 6 W CA 1.117 58.649 57.345 0.312 0.000 1.278 6 W CB -0.607 29.113 29.460 0.434 0.000 1.154 6 W HN 0.113 nan 8.180 nan 0.000 0.486 7 L N -0.188 121.324 121.223 0.481 0.000 1.971 7 L HA -0.311 4.029 4.340 -0.000 0.000 0.215 7 L C 2.056 179.112 176.870 0.311 0.000 1.072 7 L CA 1.828 56.905 54.840 0.395 0.000 0.758 7 L CB -1.134 41.109 42.059 0.307 0.000 0.889 7 L HN -0.056 nan 8.230 nan 0.000 0.433 8 D N -0.622 119.903 120.400 0.209 0.000 2.126 8 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 8 D C 2.139 178.452 176.300 0.021 0.000 1.001 8 D CA 1.930 55.970 54.000 0.066 0.000 0.841 8 D CB -0.214 40.609 40.800 0.039 0.000 0.949 8 D HN 0.233 nan 8.370 nan 0.000 0.446 9 T N -0.829 113.778 114.554 0.088 0.000 2.708 9 T HA -0.181 4.168 4.350 -0.000 0.000 0.266 9 T C 1.994 176.711 174.700 0.028 0.000 1.037 9 T CA 1.540 63.678 62.100 0.063 0.000 1.146 9 T CB -0.493 68.448 68.868 0.121 0.000 0.865 9 T HN 0.126 nan 8.240 nan 0.000 0.435 10 S N 1.518 117.344 115.700 0.210 0.000 2.359 10 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 10 S C 2.440 177.004 174.600 -0.060 0.000 1.039 10 S CA 1.758 60.001 58.200 0.072 0.000 1.042 10 S CB -0.750 62.673 63.200 0.373 0.000 0.915 10 S HN 0.511 nan 8.310 nan 0.000 0.439 11 A N 1.396 124.185 122.820 -0.053 0.000 1.958 11 A HA -0.115 4.205 4.320 -0.000 0.000 0.221 11 A C 2.256 179.713 177.584 -0.212 0.000 1.178 11 A CA 1.978 53.859 52.037 -0.261 0.000 0.642 11 A CB -1.030 17.566 19.000 -0.674 0.000 0.816 11 A HN 0.677 nan 8.150 nan 0.000 0.453 12 L N -0.529 120.590 121.223 -0.173 0.000 2.056 12 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 12 L C 2.230 179.016 176.870 -0.141 0.000 1.078 12 L CA 1.596 56.342 54.840 -0.158 0.000 0.749 12 L CB -0.456 41.523 42.059 -0.133 0.000 0.901 12 L HN 0.399 nan 8.230 nan 0.000 0.433 13 L N -0.662 120.458 121.223 -0.172 0.000 2.083 13 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 13 L C 2.488 179.319 176.870 -0.065 0.000 1.083 13 L CA 1.282 56.030 54.840 -0.154 0.000 0.752 13 L CB -0.565 41.283 42.059 -0.352 0.000 0.899 13 L HN 0.375 nan 8.230 nan 0.000 0.433 14 E N -0.023 120.136 120.200 -0.069 0.000 2.204 14 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 14 E C 2.222 178.840 176.600 0.030 0.000 0.989 14 E CA 0.935 57.336 56.400 0.003 0.000 0.824 14 E CB 0.016 29.722 29.700 0.009 0.000 0.756 14 E HN 0.500 nan 8.360 nan 0.000 0.477 15 A N 1.627 124.438 122.820 -0.016 0.000 1.872 15 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 15 A C 2.137 179.747 177.584 0.044 0.000 1.187 15 A CA 0.673 52.720 52.037 0.017 0.000 0.614 15 A CB -0.314 18.626 19.000 -0.100 0.000 0.826 15 A HN 0.065 nan 8.150 nan 0.000 0.442 16 I N 0.379 120.926 120.570 -0.039 0.000 2.068 16 I HA -0.272 3.898 4.170 -0.000 0.000 0.238 16 I C 2.853 179.019 176.117 0.082 0.000 1.046 16 I CA 2.124 63.391 61.300 -0.055 0.000 1.306 16 I CB -1.580 36.416 38.000 -0.006 0.000 1.023 16 I HN 0.486 nan 8.210 nan 0.000 0.399 17 S N 0.482 116.260 115.700 0.130 0.000 2.377 17 S HA -0.327 4.143 4.470 -0.000 0.000 0.224 17 S C 2.079 176.763 174.600 0.139 0.000 1.042 17 S CA 2.323 60.620 58.200 0.162 0.000 1.086 17 S CB -0.570 62.716 63.200 0.144 0.000 0.995 17 S HN 0.529 nan 8.310 nan 0.000 0.428 18 E N -0.805 119.475 120.200 0.132 0.000 2.068 18 E HA -0.261 4.089 4.350 -0.000 0.000 0.207 18 E C 1.919 178.550 176.600 0.053 0.000 1.032 18 E CA 2.094 58.552 56.400 0.096 0.000 0.839 18 E CB -0.441 29.330 29.700 0.118 0.000 0.758 18 E HN 0.795 nan 8.360 nan 0.000 0.457 19 Y N -0.295 119.999 120.300 -0.009 0.000 2.421 19 Y HA -0.099 4.451 4.550 -0.000 0.000 0.292 19 Y C 2.209 178.122 175.900 0.022 0.000 1.136 19 Y CA 0.641 58.731 58.100 -0.016 0.000 1.255 19 Y CB -0.001 38.409 38.460 -0.084 0.000 0.991 19 Y HN -0.003 nan 8.280 nan 0.000 0.552 20 V N -1.257 118.757 119.914 0.166 0.000 2.427 20 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 20 V C 2.089 178.257 176.094 0.122 0.000 1.051 20 V CA 1.484 63.887 62.300 0.173 0.000 1.048 20 V CB -0.581 31.367 31.823 0.208 0.000 0.666 20 V HN 0.218 nan 8.190 nan 0.000 0.456 21 V N -0.182 119.784 119.914 0.086 0.000 2.358 21 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 21 V C 2.496 178.601 176.094 0.019 0.000 1.047 21 V CA 1.750 64.080 62.300 0.049 0.000 1.035 21 V CB -0.849 30.994 31.823 0.034 0.000 0.658 21 V HN 0.439 nan 8.190 nan 0.000 0.452 22 R N -0.683 119.803 120.500 -0.022 0.000 2.127 22 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 22 R C 2.176 178.481 176.300 0.009 0.000 1.134 22 R CA 1.742 57.807 56.100 -0.058 0.000 0.975 22 R CB -0.591 29.587 30.300 -0.203 0.000 0.865 22 R HN 0.468 nan 8.270 nan 0.000 0.447 23 C N -0.023 119.314 119.300 0.062 0.000 2.563 23 C HA 0.049 4.509 4.460 -0.000 0.000 0.268 23 C C 1.151 176.156 174.990 0.025 0.000 1.365 23 C CA -0.756 58.314 59.018 0.088 0.000 1.754 23 C CB -1.350 26.513 27.740 0.206 0.000 1.932 23 C HN 0.484 nan 8.230 nan 0.000 0.536 24 N N 0.738 119.454 118.700 0.027 0.000 2.374 24 N HA 0.183 4.923 4.740 -0.000 0.000 0.269 24 N C 1.140 176.620 175.510 -0.051 0.000 1.310 24 N CA 0.900 53.948 53.050 -0.003 0.000 0.877 24 N CB 0.134 38.632 38.487 0.017 0.000 1.096 24 N HN 0.567 nan 8.380 nan 0.000 0.484 25 G N 3.263 111.993 108.800 -0.117 0.000 2.203 25 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.263 25 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.263 25 G C -0.069 174.653 174.900 -0.297 0.000 1.012 25 G CA 0.352 45.339 45.100 -0.189 0.000 0.749 25 G HN 0.778 nan 8.290 nan 0.000 0.512 26 D N -0.206 120.010 120.400 -0.306 0.000 2.673 26 D HA 0.201 4.841 4.640 -0.000 0.000 0.278 26 D C 1.046 177.136 176.300 -0.349 0.000 1.393 26 D CA 0.686 54.558 54.000 -0.214 0.000 0.805 26 D CB 0.266 41.102 40.800 0.060 0.000 1.110 26 D HN 0.450 nan 8.370 nan 0.000 0.476 27 T N -0.970 113.214 114.554 -0.616 0.000 3.383 27 T HA 0.397 4.747 4.350 -0.000 0.000 0.324 27 T C 0.333 174.723 174.700 -0.518 0.000 1.822 27 T CA -0.632 61.181 62.100 -0.479 0.000 1.424 27 T CB -0.851 67.763 68.868 -0.422 0.000 1.093 27 T HN -0.212 nan 8.240 nan 0.000 0.748 28 F N 1.328 121.221 119.950 -0.096 0.000 2.378 28 F HA 0.373 4.900 4.527 -0.000 0.000 0.319 28 F C 2.087 177.843 175.800 -0.074 0.000 1.155 28 F CA -0.852 57.107 58.000 -0.068 0.000 1.157 28 F CB 0.732 39.708 39.000 -0.041 0.000 1.252 28 F HN 0.398 nan 8.300 nan 0.000 0.550 29 S N 0.060 115.844 115.700 0.139 0.000 2.377 29 S HA -0.023 4.447 4.470 -0.000 0.000 0.223 29 S C 1.894 176.528 174.600 0.057 0.000 1.030 29 S CA 0.639 58.873 58.200 0.058 0.000 0.970 29 S CB -0.965 62.260 63.200 0.042 0.000 0.830 29 S HN 0.817 nan 8.310 nan 0.000 0.473 30 G N 1.006 109.848 108.800 0.069 0.000 3.026 30 G HA2 0.398 4.358 3.960 -0.000 0.000 0.208 30 G HA3 0.398 4.358 3.960 -0.000 0.000 0.208 30 G C -0.077 174.851 174.900 0.048 0.000 1.169 30 G CA 0.076 45.202 45.100 0.043 0.000 0.788 30 G HN 0.503 nan 8.290 nan 0.000 0.533 31 L N -0.984 120.282 121.223 0.073 0.000 2.431 31 L HA 0.675 5.015 4.340 -0.000 0.000 0.266 31 L C -1.015 175.905 176.870 0.083 0.000 0.978 31 L CA -0.415 54.472 54.840 0.077 0.000 0.822 31 L CB 2.429 44.541 42.059 0.088 0.000 1.310 31 L HN -0.180 nan 8.230 nan 0.000 0.409 32 T N 3.142 117.752 114.554 0.093 0.000 2.874 32 T HA 0.415 4.765 4.350 -0.000 0.000 0.321 32 T C 0.076 174.864 174.700 0.147 0.000 1.075 32 T CA -0.049 62.133 62.100 0.137 0.000 0.966 32 T CB 0.272 69.228 68.868 0.147 0.000 1.001 32 T HN 0.884 nan 8.240 nan 0.000 0.476 33 T N 0.869 115.525 114.554 0.171 0.000 2.813 33 T HA 0.359 4.709 4.350 -0.000 0.000 0.297 33 T C 1.812 176.616 174.700 0.173 0.000 1.036 33 T CA -0.148 62.048 62.100 0.161 0.000 1.044 33 T CB 1.066 70.034 68.868 0.166 0.000 0.993 33 T HN 0.437 nan 8.240 nan 0.000 0.535 34 G N 0.653 109.533 108.800 0.133 0.000 2.418 34 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 34 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 34 G C 1.212 176.213 174.900 0.168 0.000 1.158 34 G CA 0.650 45.824 45.100 0.123 0.000 0.771 34 G HN 0.851 nan 8.290 nan 0.000 0.545 35 D N 0.288 120.808 120.400 0.199 0.000 2.116 35 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 35 D C 2.035 178.516 176.300 0.302 0.000 0.998 35 D CA 0.898 55.070 54.000 0.286 0.000 0.836 35 D CB -0.327 40.571 40.800 0.164 0.000 0.951 35 D HN 0.312 nan 8.370 nan 0.000 0.449 36 F N 1.932 121.947 119.950 0.108 0.000 2.234 36 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 36 F C 2.007 177.831 175.800 0.041 0.000 1.087 36 F CA 0.858 58.903 58.000 0.076 0.000 1.340 36 F CB -0.224 38.816 39.000 0.067 0.000 1.031 36 F HN -0.168 nan 8.300 nan 0.000 0.500 37 N N 0.797 119.511 118.700 0.024 0.000 2.084 37 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 37 N C 2.002 177.398 175.510 -0.189 0.000 1.030 37 N CA 1.528 54.525 53.050 -0.089 0.000 0.849 37 N CB -0.431 38.060 38.487 0.006 0.000 1.012 37 N HN 0.379 nan 8.380 nan 0.000 0.423 38 A N 1.231 123.965 122.820 -0.143 0.000 1.858 38 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 38 A C 2.279 179.609 177.584 -0.424 0.000 1.190 38 A CA 1.223 53.092 52.037 -0.280 0.000 0.617 38 A CB -0.963 17.840 19.000 -0.329 0.000 0.827 38 A HN 0.357 nan 8.150 nan 0.000 0.443 39 L N 0.039 121.037 121.223 -0.375 0.000 2.079 39 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 39 L C 2.435 178.868 176.870 -0.727 0.000 1.081 39 L CA 2.573 57.097 54.840 -0.527 0.000 0.752 39 L CB -0.568 41.318 42.059 -0.288 0.000 0.896 39 L HN 0.298 nan 8.230 nan 0.000 0.433 40 S N -0.192 115.154 115.700 -0.589 0.000 2.345 40 S HA -0.147 4.323 4.470 -0.000 0.000 0.220 40 S C 1.710 176.157 174.600 -0.255 0.000 1.031 40 S CA 1.638 59.596 58.200 -0.404 0.000 0.996 40 S CB -0.620 62.301 63.200 -0.464 0.000 0.882 40 S HN 0.621 nan 8.310 nan 0.000 0.445 41 N N 0.529 119.073 118.700 -0.260 0.000 2.430 41 N HA -0.013 4.727 4.740 -0.000 0.000 0.186 41 N C 1.671 177.055 175.510 -0.209 0.000 1.032 41 N CA 0.805 53.741 53.050 -0.190 0.000 0.893 41 N CB -0.128 38.253 38.487 -0.177 0.000 0.957 41 N HN 0.377 nan 8.380 nan 0.000 0.442 42 M N -0.513 118.889 119.600 -0.329 0.000 2.193 42 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 42 M C 1.312 177.483 176.300 -0.216 0.000 1.071 42 M CA 1.231 56.330 55.300 -0.335 0.000 1.140 42 M CB -0.111 32.197 32.600 -0.487 0.000 1.369 42 M HN 0.127 nan 8.290 nan 0.000 0.423 43 F N 0.127 120.004 119.950 -0.122 0.000 2.161 43 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 43 F C 2.470 178.232 175.800 -0.064 0.000 1.089 43 F CA 1.042 58.991 58.000 -0.084 0.000 1.282 43 F CB -0.744 38.208 39.000 -0.079 0.000 1.010 43 F HN 0.148 nan 8.300 nan 0.000 0.485 44 T N -0.661 113.949 114.554 0.093 0.000 2.759 44 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 44 T C 1.827 176.524 174.700 -0.005 0.000 1.042 44 T CA 1.202 63.320 62.100 0.030 0.000 1.140 44 T CB -0.238 68.617 68.868 -0.022 0.000 0.864 44 T HN 0.277 nan 8.240 nan 0.000 0.455 45 Q N 0.119 119.898 119.800 -0.036 0.000 2.378 45 Q HA 0.160 4.500 4.340 -0.000 0.000 0.205 45 Q C 2.243 178.216 176.000 -0.045 0.000 0.954 45 Q CA 0.374 56.142 55.803 -0.057 0.000 0.901 45 Q CB -0.238 28.448 28.738 -0.087 0.000 0.981 45 Q HN 0.505 nan 8.270 nan 0.000 0.483 46 L N 0.776 121.999 121.223 0.000 0.000 1.938 46 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 46 L C 1.085 177.907 176.870 -0.079 0.000 1.085 46 L CA 0.898 55.753 54.840 0.026 0.000 0.760 46 L CB -0.348 41.788 42.059 0.128 0.000 0.888 46 L HN 0.128 nan 8.230 nan 0.000 0.433 47 S N 0.213 115.874 115.700 -0.064 0.000 2.523 47 S HA 0.354 4.824 4.470 -0.000 0.000 0.275 47 S C -0.055 174.478 174.600 -0.111 0.000 1.281 47 S CA -0.952 57.146 58.200 -0.170 0.000 1.050 47 S CB 0.855 64.020 63.200 -0.060 0.000 0.937 47 S HN 0.216 nan 8.310 nan 0.000 0.492 54 V N 0.782 120.723 119.914 0.045 0.000 2.944 54 V HA -0.280 3.840 4.120 -0.000 0.000 0.265 54 V C 1.860 177.968 176.094 0.023 0.000 1.125 54 V CA 2.312 64.626 62.300 0.023 0.000 1.145 54 V CB -0.685 31.139 31.823 0.001 0.000 0.725 54 V HN 0.384 nan 8.190 nan 0.000 0.510 55 S N -0.568 115.145 115.700 0.021 0.000 2.326 55 S HA -0.085 4.385 4.470 -0.000 0.000 0.211 55 S C 1.134 175.737 174.600 0.005 0.000 1.031 55 S CA 0.929 59.143 58.200 0.023 0.000 0.985 55 S CB -0.164 63.049 63.200 0.022 0.000 0.961 55 S HN 0.623 nan 8.310 nan 0.000 0.436 56 D N 2.119 122.510 120.400 -0.016 0.000 2.485 56 D HA 0.237 4.877 4.640 -0.000 0.000 0.229 56 D C -1.912 174.296 176.300 -0.154 0.000 1.101 56 D CA -2.269 51.696 54.000 -0.058 0.000 0.906 56 D CB 1.277 42.057 40.800 -0.033 0.000 1.019 56 D HN 0.073 nan 8.370 nan 0.000 0.516 57 P HA -0.107 nan 4.420 nan 0.000 0.234 57 P C 1.033 178.017 177.300 -0.526 0.000 1.162 57 P CA 0.400 63.103 63.100 -0.661 0.000 0.759 57 P CB 0.429 31.384 31.700 -1.242 0.000 0.813 58 R N -0.529 119.795 120.500 -0.293 0.000 2.119 58 R HA -0.003 4.337 4.340 -0.000 0.000 0.222 58 R C 2.345 178.539 176.300 -0.177 0.000 1.088 58 R CA 0.539 56.506 56.100 -0.223 0.000 0.984 58 R CB -0.839 29.397 30.300 -0.107 0.000 0.884 58 R HN 0.083 nan 8.270 nan 0.000 0.447 59 V N 2.216 122.043 119.914 -0.144 0.000 2.379 59 V HA -0.075 4.045 4.120 -0.000 0.000 0.245 59 V C -0.981 175.031 176.094 -0.137 0.000 1.044 59 V CA 1.509 63.742 62.300 -0.112 0.000 1.036 59 V CB -0.378 31.392 31.823 -0.089 0.000 0.664 59 V HN 0.224 nan 8.190 nan 0.000 0.453 60 P HA -0.117 nan 4.420 nan 0.000 0.219 60 P C 1.937 179.211 177.300 -0.043 0.000 1.150 60 P CA 1.407 64.428 63.100 -0.132 0.000 0.814 60 P CB 0.030 31.665 31.700 -0.108 0.000 0.787 61 L N -0.512 120.628 121.223 -0.138 0.000 2.056 61 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 61 L C 3.150 180.029 176.870 0.015 0.000 1.078 61 L CA 1.438 56.184 54.840 -0.156 0.000 0.749 61 L CB -0.943 40.749 42.059 -0.612 0.000 0.901 61 L HN 0.016 nan 8.230 nan 0.000 0.433 62 Q N -0.313 119.496 119.800 0.016 0.000 2.020 62 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 62 Q C 2.107 178.189 176.000 0.137 0.000 0.982 62 Q CA 2.477 58.353 55.803 0.122 0.000 0.838 62 Q CB -0.024 28.750 28.738 0.058 0.000 0.899 62 Q HN 0.397 nan 8.270 nan 0.000 0.423 63 T N 1.356 115.958 114.554 0.081 0.000 2.624 63 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 63 T C 1.651 176.441 174.700 0.150 0.000 1.041 63 T CA 1.678 63.843 62.100 0.109 0.000 1.159 63 T CB -0.325 68.587 68.868 0.075 0.000 0.863 63 T HN 0.349 nan 8.240 nan 0.000 0.434 64 M N 1.157 120.818 119.600 0.103 0.000 2.065 64 M HA -0.134 4.346 4.480 -0.000 0.000 0.259 64 M C 2.413 178.798 176.300 0.142 0.000 1.069 64 M CA 1.779 57.013 55.300 -0.110 0.000 1.110 64 M CB -0.818 31.670 32.600 -0.187 0.000 1.328 64 M HN 0.184 nan 8.290 nan 0.000 0.405 65 S N 1.177 117.029 115.700 0.254 0.000 2.359 65 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 65 S C 1.539 176.362 174.600 0.372 0.000 1.035 65 S CA 1.844 60.261 58.200 0.362 0.000 1.018 65 S CB -0.724 62.727 63.200 0.418 0.000 0.876 65 S HN 0.593 nan 8.310 nan 0.000 0.448 66 N N 0.778 119.700 118.700 0.370 0.000 2.036 66 N HA -0.108 4.632 4.740 -0.000 0.000 0.195 66 N C 1.815 177.461 175.510 0.227 0.000 1.037 66 N CA 1.489 54.770 53.050 0.385 0.000 0.855 66 N CB -0.231 38.425 38.487 0.280 0.000 1.033 66 N HN 0.353 nan 8.380 nan 0.000 0.423 67 M N -0.274 119.443 119.600 0.194 0.000 2.296 67 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 67 M C 1.821 178.040 176.300 -0.136 0.000 1.064 67 M CA 1.050 56.435 55.300 0.142 0.000 1.109 67 M CB -0.238 32.567 32.600 0.341 0.000 1.396 67 M HN 0.202 nan 8.290 nan 0.000 0.430 68 F N 1.287 121.065 119.950 -0.287 0.000 2.084 68 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 68 F C 2.289 177.926 175.800 -0.272 0.000 1.111 68 F CA 1.794 59.451 58.000 -0.572 0.000 1.224 68 F CB -0.696 38.185 39.000 -0.198 0.000 0.991 68 F HN -0.009 nan 8.300 nan 0.000 0.471 69 V N -1.407 118.256 119.914 -0.417 0.000 2.392 69 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 69 V C 2.398 178.286 176.094 -0.345 0.000 1.059 69 V CA 2.266 64.278 62.300 -0.480 0.000 1.051 69 V CB -1.580 29.927 31.823 -0.526 0.000 0.658 69 V HN 0.488 nan 8.190 nan 0.000 0.455 70 S N 0.154 115.739 115.700 -0.191 0.000 2.374 70 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 70 S C 1.758 176.270 174.600 -0.148 0.000 1.037 70 S CA 2.226 60.369 58.200 -0.094 0.000 1.024 70 S CB -0.684 62.522 63.200 0.009 0.000 0.861 70 S HN 0.853 nan 8.310 nan 0.000 0.456 71 F N 1.342 121.045 119.950 -0.412 0.000 2.074 71 F HA 0.123 4.650 4.527 -0.000 0.000 0.293 71 F C 1.781 177.307 175.800 -0.457 0.000 1.116 71 F CA 1.168 58.930 58.000 -0.397 0.000 1.212 71 F CB -0.662 38.026 39.000 -0.520 0.000 0.998 71 F HN 0.240 nan 8.300 nan 0.000 0.471 72 I N 0.544 120.663 120.570 -0.753 0.000 3.010 72 I HA -0.178 3.992 4.170 -0.000 0.000 0.271 72 I C 1.798 177.508 176.117 -0.679 0.000 1.293 72 I CA 1.427 62.210 61.300 -0.862 0.000 1.452 72 I CB -1.018 36.397 38.000 -0.976 0.000 1.082 72 I HN 0.274 nan 8.210 nan 0.000 0.484 73 T N -1.442 112.787 114.554 -0.543 0.000 2.976 73 T HA 0.056 4.406 4.350 -0.000 0.000 0.257 73 T C 0.954 175.431 174.700 -0.371 0.000 1.051 73 T CA 0.731 62.573 62.100 -0.431 0.000 1.141 73 T CB -0.028 68.670 68.868 -0.282 0.000 0.881 73 T HN 0.335 nan 8.240 nan 0.000 0.461 74 S N 1.307 116.795 115.700 -0.353 0.000 2.411 74 S HA 0.163 4.633 4.470 -0.000 0.000 0.294 74 S C 1.299 175.711 174.600 -0.312 0.000 1.115 74 S CA -0.482 57.553 58.200 -0.275 0.000 1.071 74 S CB 0.663 63.749 63.200 -0.189 0.000 0.967 74 S HN 0.273 nan 8.310 nan 0.000 0.488 75 T N 4.270 118.670 114.554 -0.256 0.000 2.778 75 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 75 T C 1.190 175.782 174.700 -0.181 0.000 1.050 75 T CA 1.605 63.567 62.100 -0.231 0.000 1.137 75 T CB -0.267 68.498 68.868 -0.173 0.000 0.860 75 T HN 0.667 nan 8.240 nan 0.000 0.468 76 D N 0.639 120.956 120.400 -0.139 0.000 2.144 76 D HA -0.036 4.604 4.640 -0.000 0.000 0.199 76 D C 2.368 178.632 176.300 -0.059 0.000 0.984 76 D CA 0.969 54.922 54.000 -0.079 0.000 0.834 76 D CB 0.019 40.787 40.800 -0.053 0.000 0.955 76 D HN 0.434 nan 8.370 nan 0.000 0.465 77 R N 0.291 120.721 120.500 -0.116 0.000 2.048 77 R HA 0.004 4.344 4.340 -0.000 0.000 0.224 77 R C 2.621 178.859 176.300 -0.104 0.000 1.163 77 R CA 1.224 57.296 56.100 -0.047 0.000 0.956 77 R CB -0.608 29.671 30.300 -0.036 0.000 0.849 77 R HN 0.259 nan 8.270 nan 0.000 0.435 78 C N 0.441 119.346 119.300 -0.659 0.000 2.525 78 C HA 0.262 4.722 4.460 -0.000 0.000 0.279 78 C C 2.219 176.980 174.990 -0.383 0.000 1.437 78 C CA -0.591 57.968 59.018 -0.764 0.000 1.704 78 C CB -1.476 25.451 27.740 -1.356 0.000 1.672 78 C HN 0.552 nan 8.230 nan 0.000 0.582 79 G N 1.223 109.903 108.800 -0.199 0.000 2.442 79 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 79 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 79 G C 1.267 176.117 174.900 -0.085 0.000 1.141 79 G CA 1.222 46.239 45.100 -0.139 0.000 0.763 79 G HN 0.850 nan 8.290 nan 0.000 0.554 80 Y N 0.194 120.459 120.300 -0.057 0.000 2.315 80 Y HA 0.009 4.559 4.550 -0.000 0.000 0.288 80 Y C 2.438 178.293 175.900 -0.075 0.000 1.154 80 Y CA 1.470 59.572 58.100 0.003 0.000 1.229 80 Y CB -0.264 38.249 38.460 0.089 0.000 0.980 80 Y HN 0.189 nan 8.280 nan 0.000 0.540 81 M N 0.182 119.129 119.600 -1.088 0.000 2.562 81 M HA 0.053 4.533 4.480 -0.000 0.000 0.257 81 M C 1.049 177.007 176.300 -0.570 0.000 1.099 81 M CA 0.879 55.295 55.300 -1.473 0.000 1.099 81 M CB 0.023 31.602 32.600 -1.702 0.000 1.427 81 M HN 0.320 nan 8.290 nan 0.000 0.489 82 L N -0.523 120.521 121.223 -0.297 0.000 2.629 82 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 82 L C 0.563 177.401 176.870 -0.054 0.000 1.151 82 L CA -0.131 54.629 54.840 -0.132 0.000 0.924 82 L CB -0.307 41.642 42.059 -0.183 0.000 1.137 82 L HN 0.142 nan 8.230 nan 0.000 0.457 83 R N 0.348 120.884 120.500 0.060 0.000 2.536 83 R HA 0.152 4.492 4.340 -0.000 0.000 0.279 83 R C 1.074 177.448 176.300 0.124 0.000 1.001 83 R CA -0.423 55.705 56.100 0.047 0.000 1.027 83 R CB 1.514 31.864 30.300 0.084 0.000 1.096 83 R HN -0.084 nan 8.270 nan 0.000 0.502 84 K N 0.646 120.949 120.400 -0.161 0.000 2.173 84 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 84 K C 1.173 177.873 176.600 0.167 0.000 1.046 84 K CA 2.047 58.200 56.287 -0.224 0.000 0.929 84 K CB 0.092 32.301 32.500 -0.484 0.000 0.720 84 K HN 0.545 nan 8.250 nan 0.000 0.453 85 T N -0.328 114.325 114.554 0.166 0.000 2.821 85 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 85 T C 1.055 175.923 174.700 0.279 0.000 1.046 85 T CA 1.270 63.489 62.100 0.199 0.000 1.139 85 T CB -0.331 68.635 68.868 0.165 0.000 0.871 85 T HN 0.502 nan 8.240 nan 0.000 0.454 86 W N 1.094 122.511 121.300 0.195 0.000 2.338 86 W HA -0.105 4.555 4.660 -0.000 0.000 0.304 86 W C 1.785 178.393 176.519 0.148 0.000 1.212 86 W CA 0.693 58.146 57.345 0.180 0.000 1.264 86 W CB -0.570 28.977 29.460 0.144 0.000 1.142 86 W HN 0.248 nan 8.180 nan 0.000 0.512 87 F N 0.952 120.966 119.950 0.106 0.000 2.367 87 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 87 F C 2.174 177.912 175.800 -0.103 0.000 1.094 87 F CA 1.766 59.666 58.000 -0.167 0.000 1.409 87 F CB -0.629 38.355 39.000 -0.028 0.000 1.064 87 F HN -0.162 nan 8.300 nan 0.000 0.528 88 N N -0.211 118.551 118.700 0.104 0.000 2.148 88 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 88 N C 0.664 176.128 175.510 -0.077 0.000 1.031 88 N CA 1.282 54.356 53.050 0.040 0.000 0.848 88 N CB -0.007 38.563 38.487 0.137 0.000 1.005 88 N HN 0.334 nan 8.380 nan 0.000 0.427 89 S N -0.830 114.829 115.700 -0.068 0.000 2.715 89 S HA 0.369 4.839 4.470 -0.000 0.000 0.307 89 S C -0.539 173.995 174.600 -0.110 0.000 1.119 89 S CA -0.816 57.340 58.200 -0.072 0.000 0.937 89 S CB 2.063 65.259 63.200 -0.006 0.000 1.150 89 S HN -0.045 nan 8.310 nan 0.000 0.521 90 D N 1.205 121.563 120.400 -0.071 0.000 2.738 90 D HA 0.223 4.863 4.640 -0.000 0.000 0.246 90 D C -0.548 175.750 176.300 -0.004 0.000 1.270 90 D CA 0.083 54.049 54.000 -0.058 0.000 0.833 90 D CB 0.384 41.150 40.800 -0.056 0.000 1.040 90 D HN 0.464 nan 8.370 nan 0.000 0.487 91 T N 1.095 115.663 114.554 0.024 0.000 2.761 91 T HA 0.085 4.435 4.350 -0.000 0.000 0.296 91 T C 0.678 175.431 174.700 0.088 0.000 0.934 91 T CA -0.248 61.885 62.100 0.054 0.000 1.091 91 T CB 1.332 70.240 68.868 0.067 0.000 0.896 91 T HN -0.103 nan 8.240 nan 0.000 0.515 92 K N 4.791 125.233 120.400 0.070 0.000 2.453 92 K HA 0.085 4.405 4.320 -0.000 0.000 0.280 92 K C -2.229 174.426 176.600 0.092 0.000 1.045 92 K CA -0.923 55.410 56.287 0.078 0.000 1.059 92 K CB 0.176 32.703 32.500 0.045 0.000 0.901 92 K HN 0.343 nan 8.250 nan 0.000 0.475 93 P HA 0.068 nan 4.420 nan 0.000 0.282 93 P C -0.875 176.424 177.300 -0.001 0.000 1.249 93 P CA -0.564 62.594 63.100 0.096 0.000 0.806 93 P CB 0.970 32.761 31.700 0.151 0.000 0.984 94 T N -0.596 113.957 114.554 -0.001 0.000 2.997 94 T HA 0.503 4.853 4.350 -0.000 0.000 0.311 94 T C -0.053 174.610 174.700 -0.061 0.000 1.079 94 T CA -0.586 61.502 62.100 -0.019 0.000 0.982 94 T CB -0.852 68.022 68.868 0.009 0.000 1.032 94 T HN 0.262 nan 8.240 nan 0.000 0.581 95 V N -0.473 119.375 119.914 -0.110 0.000 2.733 95 V HA 0.751 4.871 4.120 -0.000 0.000 0.306 95 V C -0.340 175.713 176.094 -0.067 0.000 1.084 95 V CA -0.928 61.295 62.300 -0.128 0.000 0.905 95 V CB 2.074 33.692 31.823 -0.342 0.000 1.010 95 V HN 0.540 nan 8.190 nan 0.000 0.424 96 S N 3.447 119.138 115.700 -0.015 0.000 2.252 96 S HA 0.433 4.903 4.470 -0.000 0.000 0.180 96 S C -0.683 173.946 174.600 0.047 0.000 1.534 96 S CA -0.295 57.910 58.200 0.009 0.000 1.141 96 S CB -0.237 62.971 63.200 0.012 0.000 1.122 96 S HN 0.915 nan 8.310 nan 0.000 0.475 97 D N 2.197 122.638 120.400 0.068 0.000 2.549 97 D HA 0.088 4.728 4.640 -0.000 0.000 0.251 97 D C 0.258 176.628 176.300 0.116 0.000 1.153 97 D CA -0.422 53.661 54.000 0.139 0.000 0.861 97 D CB 1.297 42.250 40.800 0.255 0.000 1.207 97 D HN 0.404 nan 8.370 nan 0.000 0.543 98 D N 2.952 123.422 120.400 0.117 0.000 2.389 98 D HA -0.201 4.439 4.640 -0.000 0.000 0.221 98 D C 1.426 177.805 176.300 0.131 0.000 0.974 98 D CA 0.176 54.231 54.000 0.092 0.000 0.923 98 D CB -0.246 40.605 40.800 0.084 0.000 0.892 98 D HN 0.389 nan 8.370 nan 0.000 0.518 99 F N 1.353 121.332 119.950 0.048 0.000 2.187 99 F HA -0.024 4.503 4.527 -0.000 0.000 0.295 99 F C 2.094 177.878 175.800 -0.028 0.000 1.091 99 F CA 0.517 58.548 58.000 0.050 0.000 1.308 99 F CB -0.037 38.910 39.000 -0.088 0.000 1.030 99 F HN -0.224 nan 8.300 nan 0.000 0.487 100 I N 1.137 121.647 120.570 -0.099 0.000 2.127 100 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 100 I C 2.708 178.682 176.117 -0.238 0.000 1.075 100 I CA 2.204 63.368 61.300 -0.227 0.000 1.334 100 I CB -1.929 36.038 38.000 -0.056 0.000 1.040 100 I HN 0.336 nan 8.210 nan 0.000 0.405 101 T N -2.340 112.132 114.554 -0.137 0.000 2.833 101 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 101 T C 1.798 176.386 174.700 -0.186 0.000 1.054 101 T CA 1.925 63.946 62.100 -0.131 0.000 1.135 101 T CB -0.821 68.001 68.868 -0.077 0.000 0.869 101 T HN 0.234 nan 8.240 nan 0.000 0.466 102 T N 0.445 114.865 114.554 -0.224 0.000 2.809 102 T HA 0.102 4.452 4.350 -0.000 0.000 0.260 102 T C 1.303 175.664 174.700 -0.566 0.000 1.039 102 T CA 1.158 63.034 62.100 -0.374 0.000 1.141 102 T CB -0.301 68.333 68.868 -0.389 0.000 0.869 102 T HN 0.579 nan 8.240 nan 0.000 0.437 103 Y N -0.320 119.698 120.300 -0.471 0.000 2.559 103 Y HA 0.426 4.976 4.550 -0.000 0.000 0.279 103 Y C 0.480 176.119 175.900 -0.434 0.000 1.117 103 Y CA -0.786 57.035 58.100 -0.465 0.000 1.263 103 Y CB 0.248 38.335 38.460 -0.620 0.000 1.230 103 Y HN 0.037 nan 8.280 nan 0.000 0.528 104 I N 2.512 122.830 120.570 -0.420 0.000 2.308 104 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 104 I C -0.183 175.783 176.117 -0.250 0.000 1.078 104 I CA -0.084 60.961 61.300 -0.424 0.000 1.292 104 I CB 0.030 37.565 38.000 -0.774 0.000 1.423 104 I HN 0.077 nan 8.210 nan 0.000 0.493 105 R N 5.330 125.733 120.500 -0.162 0.000 2.752 105 R HA 0.541 4.881 4.340 -0.000 0.000 0.271 105 R C -2.836 173.425 176.300 -0.065 0.000 1.026 105 R CA -1.996 54.042 56.100 -0.103 0.000 0.901 105 R CB 0.832 31.069 30.300 -0.105 0.000 1.243 105 R HN 0.093 nan 8.270 nan 0.000 0.463 106 P HA 0.193 nan 4.420 nan 0.000 0.271 106 P C -0.277 176.999 177.300 -0.041 0.000 1.216 106 P CA -0.062 63.022 63.100 -0.026 0.000 0.771 106 P CB 0.833 32.520 31.700 -0.020 0.000 0.864 107 R N 1.702 122.177 120.500 -0.040 0.000 2.383 107 R HA 0.316 4.656 4.340 -0.000 0.000 0.205 107 R C 0.288 176.548 176.300 -0.067 0.000 0.875 107 R CA 0.173 56.236 56.100 -0.061 0.000 1.039 107 R CB -0.185 30.071 30.300 -0.074 0.000 1.267 107 R HN 0.358 nan 8.270 nan 0.000 0.635 108 L N 1.995 123.184 121.223 -0.056 0.000 2.349 108 L HA 0.255 4.595 4.340 -0.000 0.000 0.275 108 L C 0.283 177.131 176.870 -0.037 0.000 1.115 108 L CA -0.232 54.575 54.840 -0.055 0.000 0.820 108 L CB 1.091 43.125 42.059 -0.042 0.000 1.135 108 L HN 0.193 nan 8.230 nan 0.000 0.445 109 Q N 2.889 122.665 119.800 -0.041 0.000 2.296 109 Q HA 0.306 4.646 4.340 -0.000 0.000 0.262 109 Q C -1.161 174.827 176.000 -0.020 0.000 0.981 109 Q CA -0.280 55.504 55.803 -0.032 0.000 0.905 109 Q CB 1.704 30.420 28.738 -0.036 0.000 1.186 109 Q HN 0.488 nan 8.270 nan 0.000 0.399 110 V N 5.473 125.377 119.914 -0.015 0.000 2.769 110 V HA 0.417 4.537 4.120 -0.000 0.000 0.312 110 V C -1.985 174.102 176.094 -0.011 0.000 1.058 110 V CA -1.604 60.690 62.300 -0.009 0.000 0.952 110 V CB 1.797 33.616 31.823 -0.007 0.000 1.019 110 V HN 0.932 nan 8.190 nan 0.000 0.445 111 P HA 0.121 nan 4.420 nan 0.000 0.257 111 P C 1.234 178.532 177.300 -0.004 0.000 1.241 111 P CA -0.077 63.020 63.100 -0.006 0.000 0.816 111 P CB 0.145 31.841 31.700 -0.006 0.000 1.150 112 M N 0.511 120.107 119.600 -0.007 0.000 2.116 112 M HA -0.207 4.273 4.480 -0.000 0.000 0.255 112 M C 1.857 178.156 176.300 -0.003 0.000 1.075 112 M CA 1.803 57.098 55.300 -0.007 0.000 1.087 112 M CB -1.283 31.310 32.600 -0.012 0.000 1.340 112 M HN -0.195 nan 8.290 nan 0.000 0.402 113 S N 0.579 116.279 115.700 -0.000 0.000 2.354 113 S HA -0.187 4.283 4.470 -0.000 0.000 0.219 113 S C 1.588 176.202 174.600 0.024 0.000 1.035 113 S CA 1.664 59.871 58.200 0.012 0.000 1.037 113 S CB -0.744 62.467 63.200 0.017 0.000 0.956 113 S HN 0.572 nan 8.310 nan 0.000 0.428 114 D N 1.028 121.441 120.400 0.021 0.000 2.116 114 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 114 D C 2.076 178.379 176.300 0.005 0.000 0.998 114 D CA 1.553 55.563 54.000 0.016 0.000 0.836 114 D CB -0.961 39.842 40.800 0.005 0.000 0.951 114 D HN 0.359 nan 8.370 nan 0.000 0.449 115 T N 1.210 115.765 114.554 0.000 0.000 2.665 115 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 115 T C 2.331 177.028 174.700 -0.006 0.000 1.035 115 T CA 1.221 63.318 62.100 -0.005 0.000 1.151 115 T CB -0.503 68.362 68.868 -0.005 0.000 0.862 115 T HN 0.001 nan 8.240 nan 0.000 0.438 116 V N 1.471 121.384 119.914 -0.000 0.000 2.343 116 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 116 V C 2.613 178.708 176.094 0.000 0.000 1.051 116 V CA 1.868 64.169 62.300 0.001 0.000 1.036 116 V CB -0.697 31.131 31.823 0.007 0.000 0.654 116 V HN 0.384 nan 8.190 nan 0.000 0.451 117 R N -0.061 120.446 120.500 0.011 0.000 2.097 117 R HA -0.283 4.057 4.340 -0.000 0.000 0.236 117 R C 2.445 178.731 176.300 -0.024 0.000 1.135 117 R CA 2.453 58.559 56.100 0.011 0.000 0.934 117 R CB -0.281 30.034 30.300 0.025 0.000 0.846 117 R HN 0.549 nan 8.270 nan 0.000 0.431 118 Q N 0.348 120.128 119.800 -0.032 0.000 2.050 118 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 118 Q C 2.220 178.169 176.000 -0.084 0.000 0.980 118 Q CA 1.676 57.443 55.803 -0.060 0.000 0.840 118 Q CB -0.168 28.545 28.738 -0.042 0.000 0.898 118 Q HN 0.385 nan 8.270 nan 0.000 0.424 119 L N 0.815 122.005 121.223 -0.055 0.000 2.263 119 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 119 L C 1.994 178.824 176.870 -0.068 0.000 1.111 119 L CA 0.912 55.719 54.840 -0.055 0.000 0.773 119 L CB -0.315 41.726 42.059 -0.030 0.000 0.906 119 L HN 0.371 nan 8.230 nan 0.000 0.439 120 N N 0.143 118.806 118.700 -0.063 0.000 2.173 120 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 120 N C 1.505 176.953 175.510 -0.104 0.000 1.025 120 N CA 1.039 54.055 53.050 -0.056 0.000 0.852 120 N CB -0.065 38.409 38.487 -0.021 0.000 0.998 120 N HN 0.147 nan 8.380 nan 0.000 0.427 121 N N 0.486 119.088 118.700 -0.165 0.000 2.247 121 N HA -0.142 4.598 4.740 -0.000 0.000 0.189 121 N C 1.016 176.271 175.510 -0.425 0.000 1.009 121 N CA 0.736 53.605 53.050 -0.301 0.000 0.872 121 N CB -0.224 37.994 38.487 -0.448 0.000 0.980 121 N HN 0.413 nan 8.380 nan 0.000 0.436 122 L N 0.252 121.283 121.223 -0.321 0.000 2.611 122 L HA 0.131 4.471 4.340 -0.000 0.000 0.229 122 L C 0.248 177.059 176.870 -0.098 0.000 1.137 122 L CA -0.073 54.627 54.840 -0.232 0.000 0.901 122 L CB -0.045 41.912 42.059 -0.170 0.000 1.098 122 L HN -0.088 nan 8.230 nan 0.000 0.456 123 S N 0.150 115.805 115.700 -0.075 0.000 2.576 123 S HA 0.188 4.658 4.470 -0.000 0.000 0.276 123 S C 1.361 175.957 174.600 -0.007 0.000 1.339 123 S CA -0.545 57.638 58.200 -0.029 0.000 1.039 123 S CB 1.602 64.791 63.200 -0.019 0.000 0.902 123 S HN 0.164 nan 8.310 nan 0.000 0.516 124 L N 1.379 122.604 121.223 0.004 0.000 2.017 124 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 124 L C 0.949 177.831 176.870 0.020 0.000 1.073 124 L CA 1.396 56.244 54.840 0.014 0.000 0.745 124 L CB -0.201 41.865 42.059 0.011 0.000 0.894 124 L HN 0.627 nan 8.230 nan 0.000 0.432 125 Q N -0.061 119.751 119.800 0.019 0.000 2.674 125 Q HA 0.320 4.660 4.340 -0.000 0.000 0.249 125 Q C -2.202 173.816 176.000 0.030 0.000 1.011 125 Q CA -1.618 54.201 55.803 0.025 0.000 0.734 125 Q CB 1.347 30.098 28.738 0.021 0.000 1.201 125 Q HN 0.129 nan 8.270 nan 0.000 0.498 126 P HA 0.060 nan 4.420 nan 0.000 0.277 126 P C -0.353 176.981 177.300 0.056 0.000 1.276 126 P CA -0.593 62.534 63.100 0.045 0.000 0.788 126 P CB 0.682 32.413 31.700 0.053 0.000 1.114 127 S N -0.629 115.111 115.700 0.067 0.000 2.510 127 S HA 0.316 4.786 4.470 -0.000 0.000 0.279 127 S C 1.333 175.988 174.600 0.091 0.000 1.284 127 S CA 0.003 58.249 58.200 0.076 0.000 1.059 127 S CB -0.203 63.050 63.200 0.088 0.000 0.901 127 S HN 0.455 nan 8.310 nan 0.000 0.491 128 A N 5.823 128.693 122.820 0.083 0.000 1.902 128 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 128 A C 0.911 178.562 177.584 0.113 0.000 1.181 128 A CA 1.189 53.280 52.037 0.089 0.000 0.623 128 A CB -0.085 18.958 19.000 0.071 0.000 0.818 128 A HN 0.772 nan 8.150 nan 0.000 0.443 129 K N 0.905 121.375 120.400 0.116 0.000 2.478 129 K HA 0.305 4.625 4.320 -0.000 0.000 0.236 129 K C -2.787 173.925 176.600 0.186 0.000 1.021 129 K CA -1.785 54.591 56.287 0.149 0.000 1.010 129 K CB 1.538 34.105 32.500 0.112 0.000 1.331 129 K HN 0.332 nan 8.250 nan 0.000 0.470 130 P HA 0.070 nan 4.420 nan 0.000 0.272 130 P C -0.526 176.940 177.300 0.276 0.000 1.240 130 P CA -0.310 62.917 63.100 0.212 0.000 0.791 130 P CB 1.077 32.887 31.700 0.184 0.000 0.978 131 K N 0.291 120.819 120.400 0.213 0.000 2.118 131 K HA 0.194 4.514 4.320 -0.000 0.000 0.240 131 K C 1.577 178.217 176.600 0.067 0.000 1.035 131 K CA -0.610 55.789 56.287 0.187 0.000 0.899 131 K CB 0.217 32.816 32.500 0.165 0.000 1.085 131 K HN 0.344 nan 8.250 nan 0.000 0.498 132 L N 0.394 121.547 121.223 -0.116 0.000 2.156 132 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 132 L C 2.318 179.219 176.870 0.052 0.000 1.095 132 L CA 0.908 55.645 54.840 -0.171 0.000 0.770 132 L CB -0.361 41.497 42.059 -0.336 0.000 0.914 132 L HN 0.614 nan 8.230 nan 0.000 0.439 133 Y N 1.451 121.734 120.300 -0.028 0.000 2.062 133 Y HA -0.417 4.133 4.550 -0.000 0.000 0.276 133 Y C 2.633 178.512 175.900 -0.035 0.000 1.189 133 Y CA 2.307 60.404 58.100 -0.005 0.000 1.130 133 Y CB -0.394 38.067 38.460 0.002 0.000 0.959 133 Y HN 0.259 nan 8.280 nan 0.000 0.499 134 E N -0.323 119.835 120.200 -0.071 0.000 2.070 134 E HA -0.301 4.048 4.350 -0.000 0.000 0.197 134 E C 2.451 178.850 176.600 -0.335 0.000 1.004 134 E CA 1.694 57.970 56.400 -0.207 0.000 0.805 134 E CB -0.229 29.442 29.700 -0.048 0.000 0.744 134 E HN 0.491 nan 8.360 nan 0.000 0.451 135 R N -0.104 120.240 120.500 -0.260 0.000 2.073 135 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 135 R C 2.678 178.677 176.300 -0.502 0.000 1.134 135 R CA 1.944 57.760 56.100 -0.474 0.000 0.952 135 R CB -0.159 30.038 30.300 -0.172 0.000 0.850 135 R HN 0.320 nan 8.270 nan 0.000 0.433 136 Q N 0.143 119.845 119.800 -0.163 0.000 2.045 136 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 136 Q C 1.887 177.730 176.000 -0.262 0.000 0.991 136 Q CA 1.587 57.364 55.803 -0.045 0.000 0.851 136 Q CB -0.279 28.505 28.738 0.075 0.000 0.911 136 Q HN 0.358 nan 8.270 nan 0.000 0.418 137 N N 0.365 118.827 118.700 -0.397 0.000 2.104 137 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 137 N C 1.738 177.015 175.510 -0.390 0.000 1.024 137 N CA 1.424 54.227 53.050 -0.412 0.000 0.853 137 N CB -0.318 37.866 38.487 -0.505 0.000 1.008 137 N HN 0.274 nan 8.380 nan 0.000 0.424 138 A N 1.346 123.859 122.820 -0.510 0.000 1.877 138 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 138 A C 2.272 179.571 177.584 -0.475 0.000 1.186 138 A CA 1.014 52.709 52.037 -0.570 0.000 0.620 138 A CB -0.618 17.727 19.000 -1.091 0.000 0.822 138 A HN 0.239 nan 8.150 nan 0.000 0.443 139 I N -1.450 118.783 120.570 -0.562 0.000 2.676 139 I HA -0.128 4.042 4.170 -0.000 0.000 0.259 139 I C 2.538 178.582 176.117 -0.122 0.000 1.194 139 I CA 1.293 62.358 61.300 -0.391 0.000 1.473 139 I CB -0.098 37.543 38.000 -0.599 0.000 1.096 139 I HN 0.470 nan 8.210 nan 0.000 0.443 140 M N 0.138 119.612 119.600 -0.210 0.000 2.718 140 M HA 0.026 4.506 4.480 -0.000 0.000 0.259 140 M C 1.645 177.701 176.300 -0.406 0.000 1.240 140 M CA 1.350 56.426 55.300 -0.373 0.000 1.210 140 M CB 0.371 32.714 32.600 -0.428 0.000 1.281 140 M HN -0.140 nan 8.290 nan 0.000 0.515 141 K N 0.036 120.252 120.400 -0.306 0.000 2.353 141 K HA 0.239 4.559 4.320 -0.000 0.000 0.195 141 K C 0.471 176.967 176.600 -0.172 0.000 1.031 141 K CA 0.520 56.663 56.287 -0.240 0.000 1.079 141 K CB 0.510 32.879 32.500 -0.218 0.000 0.857 141 K HN 0.582 nan 8.250 nan 0.000 0.535 142 G N 2.404 111.100 108.800 -0.173 0.000 2.314 142 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.292 142 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.292 142 G C -0.121 174.719 174.900 -0.100 0.000 1.059 142 G CA 0.068 45.099 45.100 -0.117 0.000 0.982 142 G HN 0.123 nan 8.290 nan 0.000 0.505 143 L N -0.503 120.634 121.223 -0.143 0.000 2.454 143 L HA 0.457 4.797 4.340 -0.000 0.000 0.256 143 L C 0.841 177.667 176.870 -0.073 0.000 1.136 143 L CA -1.115 53.661 54.840 -0.107 0.000 0.804 143 L CB 0.393 42.365 42.059 -0.145 0.000 1.181 143 L HN 0.082 nan 8.230 nan 0.000 0.469 144 D N 0.509 120.898 120.400 -0.018 0.000 2.360 144 D HA 0.339 4.979 4.640 -0.000 0.000 0.242 144 D C -0.476 175.843 176.300 0.032 0.000 1.184 144 D CA 0.148 54.179 54.000 0.051 0.000 0.930 144 D CB 1.802 42.674 40.800 0.120 0.000 1.161 144 D HN 0.231 nan 8.370 nan 0.000 0.447 145 I N 0.595 121.233 120.570 0.115 0.000 2.740 145 I HA 0.269 4.439 4.170 -0.000 0.000 0.303 145 I C -2.417 173.805 176.117 0.175 0.000 1.044 145 I CA -2.658 58.712 61.300 0.117 0.000 1.064 145 I CB 2.393 40.514 38.000 0.201 0.000 1.249 145 I HN 0.014 nan 8.210 nan 0.000 0.433 146 P HA -0.047 nan 4.420 nan 0.000 0.265 146 P C -0.286 177.170 177.300 0.259 0.000 1.187 146 P CA 0.209 63.369 63.100 0.100 0.000 0.766 146 P CB 0.176 31.915 31.700 0.065 0.000 0.820 147 Y N 0.191 120.518 120.300 0.045 0.000 2.293 147 Y HA -0.070 4.480 4.550 -0.000 0.000 0.291 147 Y C 2.046 177.970 175.900 0.039 0.000 1.137 147 Y CA 1.057 59.181 58.100 0.041 0.000 1.202 147 Y CB -1.235 37.242 38.460 0.029 0.000 0.990 147 Y HN 0.245 nan 8.280 nan 0.000 0.537 148 S N -0.399 115.414 115.700 0.189 0.000 2.597 148 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 148 S C 0.518 175.180 174.600 0.103 0.000 0.955 148 S CA -0.348 57.922 58.200 0.117 0.000 0.933 148 S CB -0.245 63.004 63.200 0.081 0.000 0.788 148 S HN 0.361 nan 8.310 nan 0.000 0.488 149 E N 3.546 123.821 120.200 0.126 0.000 2.290 149 E HA 0.126 4.476 4.350 -0.000 0.000 0.277 149 E C -2.372 174.304 176.600 0.126 0.000 1.035 149 E CA -2.041 54.433 56.400 0.125 0.000 0.873 149 E CB 0.696 30.484 29.700 0.146 0.000 1.029 149 E HN 0.114 nan 8.360 nan 0.000 0.419 150 P HA 0.197 nan 4.420 nan 0.000 0.274 150 P C -0.912 176.466 177.300 0.130 0.000 1.237 150 P CA -0.355 62.817 63.100 0.120 0.000 0.793 150 P CB 1.043 32.805 31.700 0.104 0.000 0.977 151 I N 0.081 120.727 120.570 0.127 0.000 2.722 151 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 151 I C -0.741 175.405 176.117 0.048 0.000 1.267 151 I CA -0.941 60.413 61.300 0.088 0.000 1.036 151 I CB 2.112 40.141 38.000 0.049 0.000 1.281 151 I HN 0.272 nan 8.210 nan 0.000 0.423 152 E N 8.376 128.586 120.200 0.016 0.000 2.166 152 E HA 0.189 4.539 4.350 -0.000 0.000 0.279 152 E C -1.956 174.586 176.600 -0.097 0.000 1.095 152 E CA -1.369 55.007 56.400 -0.040 0.000 0.888 152 E CB 0.432 30.132 29.700 -0.001 0.000 1.041 152 E HN 0.405 nan 8.360 nan 0.000 0.414 153 P HA -0.335 nan 4.420 nan 0.000 0.219 153 P C 1.588 178.874 177.300 -0.024 0.000 1.161 153 P CA 1.570 64.583 63.100 -0.145 0.000 0.909 153 P CB -0.118 31.364 31.700 -0.363 0.000 0.793 154 C N -0.583 118.697 119.300 -0.034 0.000 2.398 154 C HA -0.170 4.290 4.460 -0.000 0.000 0.282 154 C C 2.242 177.219 174.990 -0.023 0.000 1.275 154 C CA 0.817 59.827 59.018 -0.013 0.000 1.797 154 C CB -1.906 25.887 27.740 0.089 0.000 1.991 154 C HN 0.196 nan 8.230 nan 0.000 0.505 155 K N 0.811 121.197 120.400 -0.023 0.000 2.057 155 K HA 0.038 4.358 4.320 -0.000 0.000 0.206 155 K C 2.058 178.628 176.600 -0.050 0.000 1.050 155 K CA 1.234 57.515 56.287 -0.009 0.000 0.935 155 K CB -0.379 32.132 32.500 0.018 0.000 0.715 155 K HN 0.521 nan 8.250 nan 0.000 0.439 156 L N 0.882 122.003 121.223 -0.170 0.000 2.353 156 L HA -0.087 4.253 4.340 -0.000 0.000 0.220 156 L C 0.943 177.804 176.870 -0.015 0.000 1.133 156 L CA -0.006 54.719 54.840 -0.193 0.000 0.798 156 L CB -0.203 41.792 42.059 -0.107 0.000 0.922 156 L HN 0.078 nan 8.230 nan 0.000 0.445 157 F N 0.635 120.345 119.950 -0.401 0.000 2.595 157 F HA 0.178 4.705 4.527 -0.000 0.000 0.359 157 F C 0.695 176.217 175.800 -0.462 0.000 1.147 157 F CA 0.206 57.658 58.000 -0.914 0.000 1.341 157 F CB 0.360 38.797 39.000 -0.939 0.000 1.104 157 F HN -0.135 nan 8.300 nan 0.000 0.603 158 R N 1.838 121.313 120.500 -1.708 0.000 2.680 158 R HA 0.371 4.711 4.340 -0.000 0.000 0.269 158 R C -1.190 174.373 176.300 -1.229 0.000 1.026 158 R CA -0.689 54.861 56.100 -0.917 0.000 0.889 158 R CB 1.931 32.045 30.300 -0.310 0.000 1.241 158 R HN 0.696 nan 8.270 nan 0.000 0.463 159 S N 0.820 116.215 115.700 -0.508 0.000 2.562 159 S HA 0.335 4.805 4.470 -0.000 0.000 0.281 159 S C -0.522 174.005 174.600 -0.122 0.000 1.333 159 S CA -0.491 57.579 58.200 -0.217 0.000 1.052 159 S CB 1.188 64.372 63.200 -0.026 0.000 0.884 159 S HN 0.346 nan 8.310 nan 0.000 0.506 160 V N 1.503 121.419 119.914 0.004 0.000 3.156 160 V HA 0.707 4.827 4.120 -0.000 0.000 0.311 160 V C 0.997 177.133 176.094 0.070 0.000 1.208 160 V CA -0.065 62.266 62.300 0.051 0.000 1.063 160 V CB 1.369 33.258 31.823 0.110 0.000 1.098 160 V HN 0.934 nan 8.190 nan 0.000 0.452 161 A N 1.441 124.292 122.820 0.053 0.000 1.877 161 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 161 A C 2.039 179.663 177.584 0.067 0.000 1.301 161 A CA 3.103 55.169 52.037 0.048 0.000 0.699 161 A CB -1.721 17.299 19.000 0.032 0.000 0.844 161 A HN 1.619 nan 8.150 nan 0.000 0.464 162 G N -1.142 107.707 108.800 0.082 0.000 2.464 162 G HA2 0.005 3.965 3.960 -0.000 0.000 0.214 162 G HA3 0.005 3.965 3.960 -0.000 0.000 0.214 162 G C 0.921 175.896 174.900 0.123 0.000 1.218 162 G CA 0.740 45.897 45.100 0.096 0.000 0.794 162 G HN 0.683 nan 8.290 nan 0.000 0.542 163 Q N -0.084 119.823 119.800 0.179 0.000 2.296 163 Q HA 0.300 4.640 4.340 -0.000 0.000 0.262 163 Q C 1.077 177.208 176.000 0.218 0.000 0.981 163 Q CA -0.030 55.905 55.803 0.220 0.000 0.905 163 Q CB 1.508 30.449 28.738 0.338 0.000 1.186 163 Q HN 0.268 nan 8.270 nan 0.000 0.399 164 T N 1.172 115.828 114.554 0.170 0.000 2.976 164 T HA 0.172 4.522 4.350 -0.000 0.000 0.257 164 T C 0.506 175.339 174.700 0.221 0.000 1.051 164 T CA 0.956 63.145 62.100 0.148 0.000 1.141 164 T CB 0.246 69.167 68.868 0.089 0.000 0.881 164 T HN 0.717 nan 8.240 nan 0.000 0.461 165 G N -0.361 108.569 108.800 0.217 0.000 2.866 165 G HA2 0.463 4.423 3.960 -0.000 0.000 0.289 165 G HA3 0.463 4.423 3.960 -0.000 0.000 0.289 165 G C -0.014 174.789 174.900 -0.162 0.000 1.396 165 G CA -0.224 44.981 45.100 0.176 0.000 0.848 165 G HN 0.171 nan 8.290 nan 0.000 0.515 166 N N -1.397 116.951 118.700 -0.587 0.000 2.638 166 N HA 0.071 4.811 4.740 -0.000 0.000 0.220 166 N C 2.027 177.436 175.510 -0.169 0.000 1.031 166 N CA 0.120 52.733 53.050 -0.729 0.000 1.062 166 N CB 0.091 37.782 38.487 -1.326 0.000 1.406 166 N HN 0.257 nan 8.380 nan 0.000 0.495 167 I N 1.771 122.232 120.570 -0.182 0.000 2.286 167 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 167 I C -0.786 175.308 176.117 -0.038 0.000 1.115 167 I CA 1.265 62.487 61.300 -0.130 0.000 1.392 167 I CB -2.072 35.750 38.000 -0.296 0.000 1.065 167 I HN 0.224 nan 8.210 nan 0.000 0.418 168 P HA -0.150 nan 4.420 nan 0.000 0.217 168 P C 1.894 179.191 177.300 -0.005 0.000 1.150 168 P CA 1.021 64.104 63.100 -0.028 0.000 0.832 168 P CB -0.095 31.591 31.700 -0.023 0.000 0.787 169 M N -1.460 118.134 119.600 -0.009 0.000 2.435 169 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 169 M C 1.899 178.176 176.300 -0.038 0.000 1.065 169 M CA 1.476 56.753 55.300 -0.038 0.000 1.076 169 M CB -0.956 31.596 32.600 -0.079 0.000 1.403 169 M HN -0.109 nan 8.290 nan 0.000 0.454 170 M N -0.933 118.732 119.600 0.108 0.000 2.126 170 M HA -0.134 4.346 4.480 -0.000 0.000 0.259 170 M C 2.048 178.388 176.300 0.067 0.000 1.073 170 M CA 2.369 57.803 55.300 0.225 0.000 1.103 170 M CB -1.112 31.660 32.600 0.288 0.000 1.284 170 M HN 0.351 nan 8.290 nan 0.000 0.420 171 G N 0.439 109.258 108.800 0.031 0.000 2.517 171 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.222 171 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.222 171 G C 1.363 176.251 174.900 -0.021 0.000 1.109 171 G CA 1.356 46.456 45.100 0.001 0.000 0.746 171 G HN 0.584 nan 8.290 nan 0.000 0.576 172 I N -0.113 120.433 120.570 -0.039 0.000 2.400 172 I HA 0.020 4.190 4.170 -0.000 0.000 0.248 172 I C 2.455 178.509 176.117 -0.106 0.000 1.109 172 I CA 0.342 61.604 61.300 -0.063 0.000 1.425 172 I CB -0.126 37.836 38.000 -0.063 0.000 1.094 172 I HN 0.100 nan 8.210 nan 0.000 0.425 173 L N 0.794 121.924 121.223 -0.156 0.000 2.353 173 L HA -0.131 4.209 4.340 -0.000 0.000 0.220 173 L C 2.470 179.256 176.870 -0.140 0.000 1.133 173 L CA 0.821 55.514 54.840 -0.246 0.000 0.798 173 L CB -0.558 41.279 42.059 -0.371 0.000 0.922 173 L HN 0.227 nan 8.230 nan 0.000 0.445 174 A N -1.134 121.645 122.820 -0.070 0.000 2.218 174 A HA 0.073 4.393 4.320 -0.000 0.000 0.209 174 A C 0.904 178.467 177.584 -0.035 0.000 1.168 174 A CA 0.271 52.286 52.037 -0.035 0.000 0.804 174 A CB -0.297 18.700 19.000 -0.006 0.000 0.834 174 A HN 0.256 nan 8.150 nan 0.000 0.482 175 T N 2.603 117.130 114.554 -0.046 0.000 2.733 175 T HA 0.441 4.791 4.350 -0.000 0.000 0.294 175 T C -2.819 171.858 174.700 -0.038 0.000 0.956 175 T CA -1.232 60.847 62.100 -0.035 0.000 0.987 175 T CB 1.139 69.988 68.868 -0.031 0.000 0.920 175 T HN 0.014 nan 8.240 nan 0.000 0.470 176 P HA 0.068 nan 4.420 nan 0.000 0.258 176 P C -2.017 175.268 177.300 -0.024 0.000 1.172 176 P CA -0.812 62.273 63.100 -0.025 0.000 0.762 176 P CB -0.367 31.324 31.700 -0.015 0.000 0.764 177 P HA -0.027 nan 4.420 nan 0.000 0.267 177 P C 0.275 177.569 177.300 -0.010 0.000 1.200 177 P CA 0.026 63.113 63.100 -0.022 0.000 0.772 177 P CB 0.946 32.631 31.700 -0.024 0.000 0.855 178 A N 2.688 125.504 122.820 -0.007 0.000 1.855 178 A HA 0.355 4.675 4.320 -0.000 0.000 0.213 178 A C 1.128 178.714 177.584 0.004 0.000 1.195 178 A CA 1.764 53.801 52.037 -0.001 0.000 0.610 178 A CB -0.774 18.226 19.000 -0.000 0.000 0.837 178 A HN 0.813 nan 8.150 nan 0.000 0.444 179 A N -1.929 120.894 122.820 0.006 0.000 2.588 179 A HA 0.566 4.886 4.320 -0.000 0.000 0.290 179 A C -0.446 177.148 177.584 0.016 0.000 1.136 179 A CA -0.216 51.829 52.037 0.013 0.000 0.681 179 A CB 0.121 19.130 19.000 0.015 0.000 1.282 179 A HN 0.368 nan 8.150 nan 0.000 0.421 180 Q N 0.635 120.450 119.800 0.026 0.000 2.320 180 Q HA 0.060 4.400 4.340 -0.000 0.000 0.311 180 Q C -0.099 175.920 176.000 0.031 0.000 1.083 180 Q CA 0.932 56.755 55.803 0.033 0.000 1.001 180 Q CB 0.156 28.924 28.738 0.051 0.000 1.074 180 Q HN 0.611 nan 8.270 nan 0.000 0.379 181 Q N 2.418 122.235 119.800 0.028 0.000 2.166 181 Q HA 0.236 4.576 4.340 -0.000 0.000 0.226 181 Q C -0.710 175.321 176.000 0.052 0.000 0.989 181 Q CA -0.773 55.050 55.803 0.033 0.000 0.966 181 Q CB 1.162 29.913 28.738 0.022 0.000 1.173 181 Q HN 0.641 nan 8.270 nan 0.000 0.509 182 Q N 1.706 121.543 119.800 0.061 0.000 2.373 182 Q HA 0.173 4.513 4.340 -0.000 0.000 0.255 182 Q C -2.095 173.982 176.000 0.129 0.000 0.980 182 Q CA -1.517 54.331 55.803 0.074 0.000 0.882 182 Q CB 0.495 29.276 28.738 0.072 0.000 1.249 182 Q HN 0.330 nan 8.270 nan 0.000 0.438 183 P HA -0.012 nan 4.420 nan 0.000 0.269 183 P C -1.178 176.305 177.300 0.305 0.000 1.209 183 P CA 0.253 63.467 63.100 0.189 0.000 0.776 183 P CB 0.282 32.018 31.700 0.060 0.000 0.876 184 F N -0.001 120.060 119.950 0.185 0.000 2.594 184 F HA 0.790 5.317 4.527 -0.000 0.000 0.335 184 F C -1.183 174.808 175.800 0.318 0.000 1.058 184 F CA -1.427 56.684 58.000 0.184 0.000 0.981 184 F CB 1.577 40.596 39.000 0.032 0.000 1.289 184 F HN 0.158 nan 8.300 nan 0.000 0.490 185 F N 2.917 122.965 119.950 0.164 0.000 3.228 185 F HA 0.496 5.023 4.527 -0.000 0.000 0.385 185 F C -1.067 174.927 175.800 0.323 0.000 1.247 185 F CA -0.771 57.315 58.000 0.144 0.000 1.211 185 F CB 1.166 40.278 39.000 0.186 0.000 1.719 185 F HN 0.636 nan 8.300 nan 0.000 0.630 186 V N 1.264 121.311 119.914 0.221 0.000 3.193 186 V HA 1.024 5.144 4.120 -0.000 0.000 0.320 186 V C -0.412 175.857 176.094 0.291 0.000 1.112 186 V CA -0.650 61.753 62.300 0.172 0.000 1.026 186 V CB 1.501 33.116 31.823 -0.347 0.000 1.128 186 V HN 0.799 nan 8.190 nan 0.000 0.452 187 A N 0.573 123.593 122.820 0.334 0.000 2.455 187 A HA 0.788 5.108 4.320 -0.000 0.000 0.300 187 A C -0.533 177.211 177.584 0.267 0.000 1.040 187 A CA -0.681 51.520 52.037 0.273 0.000 0.697 187 A CB 1.590 20.742 19.000 0.254 0.000 1.265 187 A HN 0.943 nan 8.150 nan 0.000 0.407 188 E N 0.186 120.387 120.200 0.001 0.000 2.819 188 E HA 0.415 4.765 4.350 -0.000 0.000 0.241 188 E C 0.748 177.196 176.600 -0.253 0.000 0.987 188 E CA -0.894 55.254 56.400 -0.420 0.000 1.024 188 E CB 0.840 30.136 29.700 -0.672 0.000 1.448 188 E HN 0.615 nan 8.360 nan 0.000 0.484 189 R N 0.330 120.631 120.500 -0.332 0.000 2.066 189 R HA 0.054 4.394 4.340 -0.000 0.000 0.224 189 R C 1.964 178.184 176.300 -0.133 0.000 1.122 189 R CA 0.943 56.959 56.100 -0.140 0.000 0.974 189 R CB 0.071 30.319 30.300 -0.088 0.000 0.871 189 R HN 0.202 nan 8.270 nan 0.000 0.435 190 R N 0.595 121.018 120.500 -0.129 0.000 2.432 190 R HA 0.093 4.433 4.340 -0.000 0.000 0.260 190 R C -0.475 175.853 176.300 0.047 0.000 0.935 190 R CA -0.027 56.062 56.100 -0.019 0.000 1.080 190 R CB 0.384 30.703 30.300 0.031 0.000 1.155 190 R HN 0.086 nan 8.270 nan 0.000 0.531 191 R N -1.326 119.120 120.500 -0.090 0.000 2.728 191 R HA 0.384 4.724 4.340 -0.000 0.000 0.274 191 R C -1.381 174.871 176.300 -0.080 0.000 1.030 191 R CA -0.879 55.236 56.100 0.025 0.000 0.876 191 R CB 0.835 31.198 30.300 0.106 0.000 1.259 191 R HN -0.095 nan 8.270 nan 0.000 0.468 192 I N 1.592 122.203 120.570 0.069 0.000 2.530 192 I HA 0.448 4.618 4.170 -0.000 0.000 0.297 192 I C -0.812 175.277 176.117 -0.048 0.000 1.011 192 I CA -1.181 60.141 61.300 0.036 0.000 1.107 192 I CB 2.036 40.118 38.000 0.138 0.000 1.285 192 I HN 0.342 nan 8.210 nan 0.000 0.436 193 L N 6.615 127.756 121.223 -0.136 0.000 2.386 193 L HA 0.625 4.965 4.340 -0.000 0.000 0.271 193 L C -1.108 175.451 176.870 -0.518 0.000 0.993 193 L CA -0.729 53.962 54.840 -0.248 0.000 0.819 193 L CB 1.787 43.812 42.059 -0.058 0.000 1.294 193 L HN 0.496 nan 8.230 nan 0.000 0.414 194 F N 0.282 119.709 119.950 -0.873 0.000 2.631 194 F HA 0.998 5.525 4.527 -0.000 0.000 0.308 194 F C -0.139 175.013 175.800 -1.079 0.000 1.097 194 F CA -0.574 56.721 58.000 -1.175 0.000 0.952 194 F CB 2.056 40.367 39.000 -1.148 0.000 1.307 194 F HN 0.604 nan 8.300 nan 0.000 0.450 195 G N 1.064 109.223 108.800 -1.068 0.000 2.317 195 G HA2 0.464 4.424 3.960 -0.000 0.000 0.293 195 G HA3 0.464 4.424 3.960 -0.000 0.000 0.293 195 G C -2.440 172.331 174.900 -0.215 0.000 1.287 195 G CA -0.875 43.829 45.100 -0.659 0.000 0.850 195 G HN 0.877 nan 8.290 nan 0.000 0.515 196 I N 1.187 121.465 120.570 -0.486 0.000 2.468 196 I HA 0.400 4.570 4.170 -0.000 0.000 0.285 196 I C 0.067 176.083 176.117 -0.168 0.000 1.039 196 I CA -0.869 60.319 61.300 -0.187 0.000 1.074 196 I CB 2.090 39.958 38.000 -0.219 0.000 1.228 196 I HN 0.546 nan 8.210 nan 0.000 0.436 197 R N 3.929 124.430 120.500 0.002 0.000 2.428 197 R HA 0.813 5.153 4.340 -0.000 0.000 0.294 197 R C -0.548 175.743 176.300 -0.014 0.000 1.000 197 R CA -0.663 55.415 56.100 -0.037 0.000 0.960 197 R CB 2.094 32.341 30.300 -0.089 0.000 1.076 197 R HN 0.550 nan 8.270 nan 0.000 0.475 198 S N 0.177 115.874 115.700 -0.004 0.000 2.596 198 S HA 0.160 4.630 4.470 -0.000 0.000 0.270 198 S C -0.141 174.465 174.600 0.011 0.000 1.155 198 S CA -0.887 57.321 58.200 0.013 0.000 0.827 198 S CB 1.470 64.692 63.200 0.036 0.000 1.130 198 S HN 0.858 nan 8.310 nan 0.000 0.467 199 N N 1.527 120.234 118.700 0.013 0.000 2.353 199 N HA 0.265 5.005 4.740 -0.000 0.000 0.185 199 N C -0.012 175.508 175.510 0.016 0.000 1.098 199 N CA 0.267 53.323 53.050 0.010 0.000 0.872 199 N CB 0.360 38.851 38.487 0.007 0.000 0.970 199 N HN 0.667 nan 8.380 nan 0.000 0.467 200 A N 0.012 122.847 122.820 0.025 0.000 2.515 200 A HA 0.762 5.082 4.320 -0.000 0.000 0.298 200 A C -0.274 177.335 177.584 0.041 0.000 1.059 200 A CA -0.473 51.581 52.037 0.029 0.000 0.698 200 A CB 1.119 20.136 19.000 0.028 0.000 1.289 200 A HN 0.367 nan 8.150 nan 0.000 0.404 201 A N 0.936 123.780 122.820 0.039 0.000 2.632 201 A HA 0.341 4.661 4.320 -0.000 0.000 0.229 201 A C -0.015 177.612 177.584 0.072 0.000 1.047 201 A CA 0.785 52.851 52.037 0.049 0.000 0.754 201 A CB -0.434 18.588 19.000 0.037 0.000 0.969 201 A HN 0.816 nan 8.150 nan 0.000 0.509 202 I N 3.405 124.028 120.570 0.088 0.000 2.389 202 I HA 0.276 4.446 4.170 -0.000 0.000 0.288 202 I C -2.086 174.109 176.117 0.129 0.000 0.999 202 I CA -2.157 59.219 61.300 0.127 0.000 1.129 202 I CB 1.942 40.021 38.000 0.132 0.000 1.288 202 I HN 0.454 nan 8.210 nan 0.000 0.444 203 P HA -0.011 nan 4.420 nan 0.000 0.271 203 P C -0.658 176.776 177.300 0.223 0.000 1.228 203 P CA -0.130 63.078 63.100 0.181 0.000 0.797 203 P CB 0.514 32.324 31.700 0.185 0.000 0.914 204 A N 0.600 123.515 122.820 0.159 0.000 2.293 204 A HA 0.776 5.096 4.320 -0.000 0.000 0.302 204 A C 0.498 178.210 177.584 0.213 0.000 1.119 204 A CA 0.405 52.536 52.037 0.156 0.000 0.823 204 A CB 0.332 19.376 19.000 0.073 0.000 1.097 204 A HN 0.753 nan 8.150 nan 0.000 0.491 205 G N -1.118 107.832 108.800 0.251 0.000 2.302 205 G HA2 0.567 4.527 3.960 -0.000 0.000 0.264 205 G HA3 0.567 4.527 3.960 -0.000 0.000 0.264 205 G C -0.352 174.674 174.900 0.211 0.000 1.335 205 G CA 0.028 45.224 45.100 0.160 0.000 0.982 205 G HN 1.980 nan 8.290 nan 0.000 0.473 206 A N -0.784 122.050 122.820 0.025 0.000 2.310 206 A HA 0.830 5.150 4.320 -0.000 0.000 0.299 206 A C -1.335 176.153 177.584 -0.159 0.000 1.147 206 A CA -0.187 51.882 52.037 0.053 0.000 0.818 206 A CB 0.525 19.529 19.000 0.007 0.000 1.096 206 A HN 1.235 nan 8.150 nan 0.000 0.495 207 Y N 0.667 121.044 120.300 0.128 0.000 2.361 207 Y HA 0.313 4.863 4.550 -0.000 0.000 0.328 207 Y C 0.085 176.080 175.900 0.158 0.000 1.044 207 Y CA -0.512 57.656 58.100 0.114 0.000 1.085 207 Y CB 1.892 40.476 38.460 0.205 0.000 1.194 207 Y HN 0.659 nan 8.280 nan 0.000 0.438 208 Q N 3.298 123.167 119.800 0.114 0.000 2.241 208 Q HA 0.512 4.852 4.340 -0.000 0.000 0.254 208 Q C -1.476 174.531 176.000 0.011 0.000 0.917 208 Q CA -0.592 55.294 55.803 0.138 0.000 0.919 208 Q CB 2.001 30.769 28.738 0.050 0.000 1.237 208 Q HN 0.539 nan 8.270 nan 0.000 0.434 209 F N 0.455 120.451 119.950 0.077 0.000 2.520 209 F HA 0.367 4.894 4.527 -0.000 0.000 0.322 209 F C -0.078 175.696 175.800 -0.045 0.000 1.103 209 F CA -1.008 57.025 58.000 0.054 0.000 0.926 209 F CB 1.562 40.603 39.000 0.068 0.000 1.154 209 F HN 0.179 nan 8.300 nan 0.000 0.453 210 V N 5.317 125.282 119.914 0.084 0.000 2.370 210 V HA 0.580 4.700 4.120 -0.000 0.000 0.283 210 V C -0.613 175.345 176.094 -0.226 0.000 1.023 210 V CA -0.836 61.430 62.300 -0.057 0.000 0.857 210 V CB 1.452 33.237 31.823 -0.063 0.000 0.985 210 V HN 0.627 nan 8.190 nan 0.000 0.443 211 V N 7.274 126.980 119.914 -0.347 0.000 2.485 211 V HA 0.440 4.559 4.120 -0.000 0.000 0.287 211 V C -1.744 173.947 176.094 -0.671 0.000 1.022 211 V CA -1.324 60.548 62.300 -0.713 0.000 1.067 211 V CB 0.202 31.691 31.823 -0.556 0.000 0.967 211 V HN 0.849 nan 8.190 nan 0.000 0.479 212 P HA 0.145 nan 4.420 nan 0.000 0.269 212 P C 0.912 177.819 177.300 -0.654 0.000 1.215 212 P CA 0.433 63.148 63.100 -0.643 0.000 0.780 212 P CB 1.165 32.495 31.700 -0.617 0.000 0.898 213 A N 4.353 126.966 122.820 -0.345 0.000 1.903 213 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 213 A C 2.079 179.532 177.584 -0.219 0.000 1.191 213 A CA 2.148 54.052 52.037 -0.221 0.000 0.638 213 A CB -1.957 16.994 19.000 -0.083 0.000 0.823 213 A HN 0.861 nan 8.150 nan 0.000 0.451 214 W N -1.065 120.158 121.300 -0.128 0.000 2.364 214 W HA 0.021 4.681 4.660 -0.000 0.000 0.281 214 W C 1.610 178.095 176.519 -0.056 0.000 1.219 214 W CA 1.243 58.528 57.345 -0.100 0.000 1.220 214 W CB -0.874 28.483 29.460 -0.171 0.000 1.127 214 W HN 0.433 nan 8.180 nan 0.000 0.556 215 A N 1.066 123.326 122.820 -0.933 0.000 2.308 215 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 215 A C 1.939 179.302 177.584 -0.368 0.000 1.216 215 A CA 0.780 52.363 52.037 -0.757 0.000 0.864 215 A CB -0.806 17.346 19.000 -1.414 0.000 0.902 215 A HN 0.277 nan 8.150 nan 0.000 0.499 216 S N -0.065 115.441 115.700 -0.324 0.000 2.660 216 S HA 0.056 4.526 4.470 -0.000 0.000 0.223 216 S C 0.984 175.533 174.600 -0.086 0.000 0.963 216 S CA 0.827 58.913 58.200 -0.191 0.000 0.932 216 S CB -0.673 62.417 63.200 -0.183 0.000 0.775 216 S HN 0.884 nan 8.310 nan 0.000 0.531 217 V N -2.247 117.637 119.914 -0.049 0.000 3.380 217 V HA 0.498 4.618 4.120 -0.000 0.000 0.307 217 V C 0.262 176.371 176.094 0.025 0.000 1.434 217 V CA -0.538 61.761 62.300 -0.003 0.000 1.075 217 V CB -0.628 31.209 31.823 0.024 0.000 0.954 217 V HN 0.378 nan 8.190 nan 0.000 0.444 218 L N 1.504 122.753 121.223 0.043 0.000 2.375 218 L HA 0.677 5.017 4.340 -0.000 0.000 0.271 218 L C 0.269 177.188 176.870 0.081 0.000 1.107 218 L CA 0.224 55.137 54.840 0.121 0.000 0.806 218 L CB 1.636 43.834 42.059 0.233 0.000 1.146 218 L HN 0.339 nan 8.230 nan 0.000 0.447 219 S N 1.880 117.612 115.700 0.053 0.000 2.540 219 S HA 0.740 5.210 4.470 -0.000 0.000 0.275 219 S C -1.001 173.432 174.600 -0.279 0.000 1.123 219 S CA -0.637 57.507 58.200 -0.094 0.000 0.907 219 S CB 1.684 64.844 63.200 -0.066 0.000 1.081 219 S HN 0.386 nan 8.310 nan 0.000 0.476 220 V N 1.509 121.098 119.914 -0.541 0.000 2.914 220 V HA 1.003 5.123 4.120 -0.000 0.000 0.314 220 V C -0.363 175.407 176.094 -0.539 0.000 1.084 220 V CA -0.619 61.237 62.300 -0.740 0.000 0.963 220 V CB 1.301 32.427 31.823 -1.163 0.000 1.025 220 V HN 1.041 nan 8.190 nan 0.000 0.432 221 T N -1.823 112.481 114.554 -0.417 0.000 2.900 221 T HA 0.705 5.055 4.350 -0.000 0.000 0.303 221 T C 0.551 175.099 174.700 -0.255 0.000 1.142 221 T CA -0.105 61.835 62.100 -0.268 0.000 1.007 221 T CB 1.171 69.940 68.868 -0.166 0.000 1.156 221 T HN 2.514 nan 8.240 nan 0.000 0.490 222 G N 0.414 109.091 108.800 -0.204 0.000 2.371 222 G HA2 0.231 4.191 3.960 -0.000 0.000 0.299 222 G HA3 0.231 4.191 3.960 -0.000 0.000 0.299 222 G C 0.185 174.892 174.900 -0.321 0.000 1.014 222 G CA -0.017 44.944 45.100 -0.232 0.000 1.097 222 G HN 1.479 nan 8.290 nan 0.000 0.512 223 A N 0.207 122.861 122.820 -0.275 0.000 2.337 223 A HA 0.821 5.141 4.320 -0.000 0.000 0.329 223 A C -0.449 177.117 177.584 -0.030 0.000 1.146 223 A CA -0.751 51.158 52.037 -0.212 0.000 0.800 223 A CB 1.149 19.999 19.000 -0.250 0.000 1.220 223 A HN 0.573 nan 8.150 nan 0.000 0.472 224 Y N 1.265 121.648 120.300 0.139 0.000 2.341 224 Y HA 0.494 5.044 4.550 -0.000 0.000 0.337 224 Y C -0.132 175.948 175.900 0.299 0.000 1.014 224 Y CA -0.947 57.287 58.100 0.222 0.000 1.111 224 Y CB 2.187 40.788 38.460 0.235 0.000 1.194 224 Y HN 0.380 nan 8.280 nan 0.000 0.462 225 V N 5.352 125.533 119.914 0.445 0.000 2.409 225 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 225 V C -0.854 175.360 176.094 0.201 0.000 1.020 225 V CA -0.851 61.594 62.300 0.243 0.000 0.848 225 V CB 0.601 32.611 31.823 0.312 0.000 0.990 225 V HN 0.746 nan 8.190 nan 0.000 0.430 226 Y N 2.506 122.769 120.300 -0.062 0.000 2.829 226 Y HA 0.811 5.361 4.550 -0.000 0.000 0.322 226 Y C -1.487 174.256 175.900 -0.261 0.000 1.357 226 Y CA -1.952 56.079 58.100 -0.116 0.000 1.081 226 Y CB 1.170 39.639 38.460 0.015 0.000 1.339 226 Y HN 0.312 nan 8.280 nan 0.000 0.469 227 F N 1.348 121.421 119.950 0.205 0.000 2.415 227 F HA 0.701 5.228 4.527 -0.000 0.000 0.348 227 F C 0.172 176.081 175.800 0.182 0.000 1.119 227 F CA -0.266 57.787 58.000 0.087 0.000 1.069 227 F CB 2.066 41.113 39.000 0.079 0.000 1.124 227 F HN 0.685 nan 8.300 nan 0.000 0.472 228 T N -1.180 113.525 114.554 0.251 0.000 2.831 228 T HA 0.451 4.801 4.350 -0.000 0.000 0.287 228 T C -0.450 174.346 174.700 0.161 0.000 1.070 228 T CA -1.016 61.221 62.100 0.227 0.000 1.010 228 T CB 1.768 70.760 68.868 0.207 0.000 1.264 228 T HN 0.474 nan 8.240 nan 0.000 0.532 229 N N -1.032 117.748 118.700 0.134 0.000 2.536 229 N HA 0.367 5.107 4.740 -0.000 0.000 0.286 229 N C -0.949 174.618 175.510 0.095 0.000 1.577 229 N CA -0.667 52.441 53.050 0.097 0.000 0.883 229 N CB 0.866 39.398 38.487 0.076 0.000 1.390 229 N HN 0.577 nan 8.380 nan 0.000 0.491 230 S N 0.189 115.962 115.700 0.122 0.000 2.547 230 S HA 0.696 5.166 4.470 -0.000 0.000 0.281 230 S C -2.136 172.593 174.600 0.215 0.000 1.118 230 S CA -0.692 57.590 58.200 0.137 0.000 0.947 230 S CB 0.734 63.997 63.200 0.105 0.000 1.053 230 S HN 0.243 nan 8.310 nan 0.000 0.482 231 F N 5.464 125.440 119.950 0.042 0.000 2.539 231 F HA 0.595 5.122 4.527 -0.000 0.000 0.328 231 F C -0.281 175.617 175.800 0.163 0.000 1.148 231 F CA -1.305 56.738 58.000 0.072 0.000 0.940 231 F CB 0.397 39.447 39.000 0.083 0.000 1.194 231 F HN 0.802 nan 8.300 nan 0.000 0.438 232 F N 4.153 123.828 119.950 -0.460 0.000 3.069 232 F HA -0.169 4.358 4.527 -0.000 0.000 0.285 232 F C 1.329 177.003 175.800 -0.211 0.000 0.827 232 F CA 1.394 59.124 58.000 -0.451 0.000 1.108 232 F CB -1.012 37.553 39.000 -0.726 0.000 1.252 232 F HN 1.126 nan 8.300 nan 0.000 0.483 233 G N 0.553 109.349 108.800 -0.007 0.000 2.204 233 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.244 233 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.244 233 G C -0.088 174.837 174.900 0.041 0.000 1.062 233 G CA 0.191 45.304 45.100 0.023 0.000 0.798 233 G HN 0.613 nan 8.290 nan 0.000 0.496 234 T N 0.891 115.485 114.554 0.066 0.000 2.886 234 T HA 0.558 4.908 4.350 -0.000 0.000 0.292 234 T C 0.536 175.289 174.700 0.088 0.000 1.012 234 T CA -0.722 61.420 62.100 0.070 0.000 0.982 234 T CB 1.492 70.408 68.868 0.079 0.000 1.018 234 T HN 0.251 nan 8.240 nan 0.000 0.451 235 I N 3.301 123.905 120.570 0.057 0.000 2.683 235 I HA 0.145 4.315 4.170 -0.000 0.000 0.286 235 I C 0.397 176.538 176.117 0.040 0.000 1.175 235 I CA 0.054 61.383 61.300 0.048 0.000 1.429 235 I CB -0.159 37.858 38.000 0.029 0.000 1.371 235 I HN 0.585 nan 8.210 nan 0.000 0.569 236 I N 5.567 126.157 120.570 0.032 0.000 2.312 236 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 236 I C 0.558 176.657 176.117 -0.029 0.000 1.008 236 I CA -0.386 60.903 61.300 -0.018 0.000 1.226 236 I CB 1.432 39.413 38.000 -0.033 0.000 1.371 236 I HN 0.672 nan 8.210 nan 0.000 0.468 237 A N 4.253 127.044 122.820 -0.050 0.000 2.279 237 A HA 0.701 5.021 4.320 -0.000 0.000 0.303 237 A C 0.958 178.510 177.584 -0.054 0.000 1.108 237 A CA 0.201 52.215 52.037 -0.038 0.000 0.830 237 A CB 0.658 19.638 19.000 -0.033 0.000 1.106 237 A HN 1.127 nan 8.150 nan 0.000 0.493 238 G N -1.111 107.671 108.800 -0.031 0.000 2.182 238 G HA2 0.046 4.006 3.960 -0.000 0.000 0.248 238 G HA3 0.046 4.006 3.960 -0.000 0.000 0.248 238 G C -0.170 174.718 174.900 -0.019 0.000 1.042 238 G CA 0.236 45.319 45.100 -0.028 0.000 0.775 238 G HN 1.634 nan 8.290 nan 0.000 0.501 239 V N -0.335 119.578 119.914 -0.001 0.000 3.048 239 V HA 0.842 4.962 4.120 -0.000 0.000 0.303 239 V C 0.089 176.205 176.094 0.037 0.000 1.214 239 V CA -0.224 62.093 62.300 0.028 0.000 0.984 239 V CB 2.365 34.209 31.823 0.035 0.000 1.054 239 V HN 1.015 nan 8.190 nan 0.000 0.430 240 T N 0.040 114.622 114.554 0.047 0.000 2.841 240 T HA 0.749 5.099 4.350 -0.000 0.000 0.283 240 T C 0.287 174.991 174.700 0.007 0.000 1.000 240 T CA 0.024 62.136 62.100 0.019 0.000 0.977 240 T CB 2.042 70.905 68.868 -0.008 0.000 0.979 240 T HN 1.059 nan 8.240 nan 0.000 0.446 241 A N 2.208 125.037 122.820 0.015 0.000 2.387 241 A HA 0.418 4.738 4.320 -0.000 0.000 0.234 241 A C 1.066 178.628 177.584 -0.037 0.000 1.253 241 A CA -0.409 51.643 52.037 0.024 0.000 0.894 241 A CB -0.428 18.625 19.000 0.089 0.000 0.963 241 A HN 0.827 nan 8.150 nan 0.000 0.508 242 T N 1.466 115.983 114.554 -0.060 0.000 2.932 242 T HA 0.502 4.852 4.350 -0.000 0.000 0.312 242 T C 0.209 174.841 174.700 -0.114 0.000 1.071 242 T CA 0.912 62.972 62.100 -0.065 0.000 1.128 242 T CB 1.045 69.882 68.868 -0.052 0.000 0.984 242 T HN 0.911 nan 8.240 nan 0.000 0.549 243 A N 1.895 124.667 122.820 -0.080 0.000 2.586 243 A HA 0.738 5.058 4.320 -0.000 0.000 0.290 243 A C -0.703 176.853 177.584 -0.047 0.000 1.086 243 A CA -0.908 51.078 52.037 -0.085 0.000 0.665 243 A CB 1.505 20.452 19.000 -0.087 0.000 1.279 243 A HN 0.673 nan 8.150 nan 0.000 0.423 244 T N 0.629 115.160 114.554 -0.039 0.000 2.916 244 T HA 0.559 4.909 4.350 -0.000 0.000 0.298 244 T C 1.150 175.840 174.700 -0.016 0.000 1.031 244 T CA 0.215 62.300 62.100 -0.024 0.000 0.993 244 T CB 1.679 70.533 68.868 -0.023 0.000 1.045 244 T HN 1.753 nan 8.240 nan 0.000 0.454 245 A N 1.862 124.675 122.820 -0.010 0.000 2.093 245 A HA -0.042 4.278 4.320 -0.000 0.000 0.222 245 A C 2.264 179.845 177.584 -0.004 0.000 1.162 245 A CA 2.227 54.260 52.037 -0.005 0.000 0.655 245 A CB -0.732 18.265 19.000 -0.005 0.000 0.805 245 A HN 0.963 nan 8.150 nan 0.000 0.461 246 A N -0.471 122.344 122.820 -0.008 0.000 2.021 246 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 246 A C 0.527 178.107 177.584 -0.007 0.000 1.163 246 A CA 0.427 52.461 52.037 -0.006 0.000 0.676 246 A CB -0.352 18.643 19.000 -0.007 0.000 0.818 246 A HN 0.448 nan 8.150 nan 0.000 0.453 247 D N 0.729 121.122 120.400 -0.013 0.000 2.601 247 D HA 0.318 4.958 4.640 -0.000 0.000 0.229 247 D C 0.538 176.835 176.300 -0.004 0.000 1.140 247 D CA 1.156 55.146 54.000 -0.017 0.000 0.862 247 D CB 0.463 41.243 40.800 -0.032 0.000 1.192 247 D HN 0.458 nan 8.370 nan 0.000 0.480 248 A N 1.537 124.356 122.820 -0.003 0.000 2.386 248 A HA 0.563 4.883 4.320 -0.000 0.000 0.248 248 A C 0.385 177.979 177.584 0.017 0.000 1.082 248 A CA -0.186 51.855 52.037 0.007 0.000 0.789 248 A CB 0.300 19.305 19.000 0.008 0.000 1.025 248 A HN 0.656 nan 8.150 nan 0.000 0.490 249 A N 1.059 123.893 122.820 0.024 0.000 2.520 249 A HA 0.496 4.816 4.320 -0.000 0.000 0.235 249 A C 0.476 178.092 177.584 0.052 0.000 1.065 249 A CA 0.565 52.625 52.037 0.038 0.000 0.764 249 A CB -0.281 18.735 19.000 0.026 0.000 1.002 249 A HN 0.880 nan 8.150 nan 0.000 0.502 250 T N 1.844 116.448 114.554 0.084 0.000 2.815 250 T HA 0.587 4.937 4.350 -0.000 0.000 0.289 250 T C 0.061 174.815 174.700 0.090 0.000 1.000 250 T CA 0.046 62.211 62.100 0.107 0.000 0.958 250 T CB 1.047 70.042 68.868 0.211 0.000 0.944 250 T HN 1.030 nan 8.240 nan 0.000 0.442 251 T N 0.648 115.243 114.554 0.068 0.000 2.930 251 T HA 0.875 5.225 4.350 -0.000 0.000 0.290 251 T C -0.750 174.012 174.700 0.103 0.000 1.052 251 T CA -0.956 61.155 62.100 0.019 0.000 1.017 251 T CB 1.425 70.265 68.868 -0.048 0.000 1.137 251 T HN 0.459 nan 8.240 nan 0.000 0.511 252 F N -1.028 118.892 119.950 -0.049 0.000 2.620 252 F HA 0.889 5.416 4.527 -0.000 0.000 0.320 252 F C -0.951 174.789 175.800 -0.100 0.000 1.069 252 F CA -0.984 56.981 58.000 -0.059 0.000 0.953 252 F CB 1.526 40.479 39.000 -0.079 0.000 1.322 252 F HN 0.668 nan 8.300 nan 0.000 0.479 253 T N 1.734 116.415 114.554 0.211 0.000 2.893 253 T HA 0.660 5.010 4.350 -0.000 0.000 0.293 253 T C -1.339 173.423 174.700 0.103 0.000 1.027 253 T CA -0.613 61.516 62.100 0.049 0.000 0.988 253 T CB 1.966 70.847 68.868 0.021 0.000 1.043 253 T HN 0.616 nan 8.240 nan 0.000 0.461 254 V N 4.548 124.481 119.914 0.031 0.000 2.680 254 V HA 0.314 4.434 4.120 -0.000 0.000 0.309 254 V C -1.681 174.424 176.094 0.018 0.000 1.052 254 V CA -2.051 60.270 62.300 0.035 0.000 0.908 254 V CB 1.999 33.852 31.823 0.051 0.000 1.001 254 V HN 0.626 nan 8.190 nan 0.000 0.431 255 P HA -0.189 nan 4.420 nan 0.000 0.217 255 P C 1.682 178.987 177.300 0.009 0.000 1.151 255 P CA 2.044 65.149 63.100 0.007 0.000 0.849 255 P CB 0.106 31.806 31.700 0.000 0.000 0.787 256 T N -5.221 109.345 114.554 0.019 0.000 2.985 256 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 256 T C 0.687 175.399 174.700 0.019 0.000 1.076 256 T CA 0.658 62.771 62.100 0.021 0.000 1.135 256 T CB -0.432 68.457 68.868 0.035 0.000 0.890 256 T HN -0.064 nan 8.240 nan 0.000 0.480 257 D N 0.461 120.871 120.400 0.017 0.000 2.425 257 D HA 0.599 5.239 4.640 -0.000 0.000 0.240 257 D C 0.885 177.175 176.300 -0.018 0.000 1.080 257 D CA -0.271 53.731 54.000 0.003 0.000 0.836 257 D CB 1.756 42.562 40.800 0.009 0.000 1.125 257 D HN 0.178 nan 8.370 nan 0.000 0.525 258 A N 4.092 126.903 122.820 -0.016 0.000 2.125 258 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 258 A C 0.752 178.315 177.584 -0.035 0.000 1.156 258 A CA 0.783 52.807 52.037 -0.021 0.000 0.671 258 A CB -0.263 18.729 19.000 -0.014 0.000 0.794 258 A HN 0.562 nan 8.150 nan 0.000 0.459 259 N N 0.417 119.089 118.700 -0.047 0.000 2.489 259 N HA 0.250 4.990 4.740 -0.000 0.000 0.284 259 N C -0.572 174.869 175.510 -0.114 0.000 1.158 259 N CA -0.589 52.422 53.050 -0.065 0.000 0.965 259 N CB 0.454 38.908 38.487 -0.054 0.000 1.195 259 N HN 0.255 nan 8.380 nan 0.000 0.506 260 N N 0.592 119.218 118.700 -0.123 0.000 2.508 260 N HA 0.139 4.879 4.740 -0.000 0.000 0.264 260 N C -0.915 174.417 175.510 -0.296 0.000 1.216 260 N CA 0.190 53.125 53.050 -0.191 0.000 0.943 260 N CB 0.830 39.241 38.487 -0.127 0.000 1.113 260 N HN 0.280 nan 8.380 nan 0.000 0.447 261 L N 3.535 124.425 121.223 -0.555 0.000 2.316 261 L HA 0.341 4.681 4.340 -0.000 0.000 0.280 261 L C -2.029 174.487 176.870 -0.590 0.000 1.006 261 L CA -1.756 52.633 54.840 -0.752 0.000 0.836 261 L CB 1.803 42.914 42.059 -1.580 0.000 1.221 261 L HN 0.295 nan 8.230 nan 0.000 0.418 262 P HA 0.073 nan 4.420 nan 0.000 0.268 262 P C -0.759 176.557 177.300 0.026 0.000 1.205 262 P CA -0.039 63.016 63.100 -0.074 0.000 0.771 262 P CB 1.594 33.280 31.700 -0.024 0.000 0.858 263 V N 3.501 123.461 119.914 0.077 0.000 2.815 263 V HA 0.245 4.365 4.120 -0.000 0.000 0.314 263 V C 0.786 176.962 176.094 0.137 0.000 1.064 263 V CA -0.448 61.913 62.300 0.101 0.000 0.952 263 V CB 1.088 32.920 31.823 0.014 0.000 1.020 263 V HN 0.630 nan 8.190 nan 0.000 0.439 264 Q N 0.567 120.463 119.800 0.161 0.000 2.494 264 Q HA -0.190 4.150 4.340 -0.000 0.000 0.266 264 Q C 0.038 176.105 176.000 0.111 0.000 1.053 264 Q CA 1.425 57.348 55.803 0.200 0.000 1.029 264 Q CB -1.342 27.575 28.738 0.299 0.000 1.423 264 Q HN 1.049 nan 8.270 nan 0.000 0.516 265 T N -1.853 112.759 114.554 0.095 0.000 2.918 265 T HA 0.351 4.700 4.350 -0.000 0.000 0.286 265 T C 0.283 175.000 174.700 0.029 0.000 1.026 265 T CA -0.422 61.712 62.100 0.057 0.000 1.031 265 T CB 1.161 70.070 68.868 0.069 0.000 1.046 265 T HN 0.141 nan 8.240 nan 0.000 0.479 266 D N 2.023 122.419 120.400 -0.005 0.000 2.336 266 D HA 0.149 4.789 4.640 -0.000 0.000 0.229 266 D C 0.190 176.565 176.300 0.125 0.000 1.061 266 D CA 0.288 54.260 54.000 -0.046 0.000 0.875 266 D CB 0.263 41.028 40.800 -0.059 0.000 0.904 266 D HN 0.369 nan 8.370 nan 0.000 0.525 267 S N 0.234 116.029 115.700 0.159 0.000 2.584 267 S HA 0.302 4.772 4.470 -0.000 0.000 0.273 267 S C 0.490 175.250 174.600 0.267 0.000 1.311 267 S CA -0.533 57.776 58.200 0.181 0.000 1.034 267 S CB 1.493 64.756 63.200 0.105 0.000 0.939 267 S HN 0.076 nan 8.310 nan 0.000 0.513 268 R N 2.165 122.767 120.500 0.170 0.000 2.202 268 R HA 0.395 4.735 4.340 -0.000 0.000 0.334 268 R C -0.613 175.708 176.300 0.035 0.000 1.036 268 R CA -0.227 55.897 56.100 0.040 0.000 0.878 268 R CB 0.250 30.506 30.300 -0.074 0.000 1.067 268 R HN 0.479 nan 8.270 nan 0.000 0.457 269 L N 1.057 122.314 121.223 0.057 0.000 2.358 269 L HA 0.519 4.859 4.340 -0.000 0.000 0.268 269 L C 0.116 176.977 176.870 -0.014 0.000 1.032 269 L CA -0.762 54.142 54.840 0.105 0.000 0.805 269 L CB 1.792 44.041 42.059 0.316 0.000 1.253 269 L HN 0.520 nan 8.230 nan 0.000 0.452 270 S N 1.465 117.193 115.700 0.047 0.000 2.672 270 S HA 0.806 5.276 4.470 -0.000 0.000 0.291 270 S C -1.050 173.611 174.600 0.101 0.000 1.145 270 S CA -0.570 57.584 58.200 -0.078 0.000 1.013 270 S CB 1.441 64.613 63.200 -0.046 0.000 1.017 270 S HN 0.501 nan 8.310 nan 0.000 0.487 271 F N -0.750 119.184 119.950 -0.026 0.000 2.744 271 F HA 0.766 5.293 4.527 -0.000 0.000 0.311 271 F C -0.895 174.900 175.800 -0.008 0.000 1.144 271 F CA -1.032 56.970 58.000 0.003 0.000 0.938 271 F CB 0.804 39.843 39.000 0.065 0.000 1.292 271 F HN 0.414 nan 8.300 nan 0.000 0.444 272 S N 2.278 118.140 115.700 0.269 0.000 2.659 272 S HA 0.638 5.108 4.470 -0.000 0.000 0.312 272 S C -0.824 173.884 174.600 0.180 0.000 1.114 272 S CA -0.867 57.420 58.200 0.144 0.000 1.063 272 S CB 0.821 64.049 63.200 0.047 0.000 0.996 272 S HN 0.937 nan 8.310 nan 0.000 0.478 273 L N 3.632 124.961 121.223 0.176 0.000 2.382 273 L HA 0.538 4.878 4.340 -0.000 0.000 0.259 273 L C 1.052 177.925 176.870 0.004 0.000 1.291 273 L CA -0.296 54.597 54.840 0.089 0.000 1.176 273 L CB -0.941 41.162 42.059 0.073 0.000 1.373 273 L HN 0.945 nan 8.230 nan 0.000 0.426 274 G N 0.170 108.971 108.800 0.002 0.000 4.596 274 G HA2 0.247 4.207 3.960 -0.000 0.000 0.276 274 G HA3 0.247 4.207 3.960 -0.000 0.000 0.276 274 G C 0.789 175.672 174.900 -0.028 0.000 1.013 274 G CA 0.320 45.404 45.100 -0.027 0.000 0.778 274 G HN 0.581 nan 8.290 nan 0.000 0.389 275 G N -0.748 108.038 108.800 -0.022 0.000 2.833 275 G HA2 0.459 4.418 3.960 -0.000 0.000 0.210 275 G HA3 0.459 4.418 3.960 -0.000 0.000 0.210 275 G C 0.975 175.855 174.900 -0.033 0.000 1.139 275 G CA 0.831 45.919 45.100 -0.020 0.000 0.771 275 G HN 1.247 nan 8.290 nan 0.000 0.535 276 G N 0.335 109.104 108.800 -0.052 0.000 3.714 276 G HA2 0.056 4.016 3.960 -0.000 0.000 0.146 276 G HA3 0.056 4.016 3.960 -0.000 0.000 0.146 276 G C -0.523 174.329 174.900 -0.080 0.000 2.286 276 G CA 0.185 45.247 45.100 -0.062 0.000 1.218 276 G HN 1.021 nan 8.290 nan 0.000 0.362 277 N N -0.136 118.531 118.700 -0.054 0.000 2.504 277 N HA 0.568 5.308 4.740 -0.000 0.000 0.268 277 N C -0.797 174.695 175.510 -0.030 0.000 1.184 277 N CA -0.773 52.243 53.050 -0.056 0.000 0.875 277 N CB 0.895 39.365 38.487 -0.029 0.000 1.630 277 N HN 0.513 nan 8.380 nan 0.000 0.486 278 I N 0.401 120.929 120.570 -0.070 0.000 2.754 278 I HA 0.107 4.277 4.170 -0.000 0.000 0.285 278 I C 0.281 176.446 176.117 0.081 0.000 1.166 278 I CA 0.018 61.264 61.300 -0.090 0.000 1.417 278 I CB 0.351 38.099 38.000 -0.419 0.000 1.382 278 I HN 0.689 nan 8.210 nan 0.000 0.588 279 N N 5.065 123.846 118.700 0.134 0.000 2.790 279 N HA 0.301 5.041 4.740 -0.000 0.000 0.256 279 N C -0.965 174.697 175.510 0.253 0.000 1.409 279 N CA -0.576 52.590 53.050 0.193 0.000 0.799 279 N CB 0.549 39.109 38.487 0.121 0.000 1.170 279 N HN 0.427 nan 8.380 nan 0.000 0.507 280 L N 1.760 123.196 121.223 0.355 0.000 2.426 280 L HA 0.309 4.649 4.340 -0.000 0.000 0.271 280 L C -0.015 177.039 176.870 0.306 0.000 1.169 280 L CA 0.389 55.437 54.840 0.347 0.000 0.836 280 L CB 0.802 43.105 42.059 0.407 0.000 1.112 280 L HN 0.448 nan 8.230 nan 0.000 0.465 281 E N 4.335 124.663 120.200 0.213 0.000 2.346 281 E HA 0.316 4.666 4.350 -0.000 0.000 0.239 281 E C -1.088 175.583 176.600 0.118 0.000 0.943 281 E CA -0.336 56.168 56.400 0.173 0.000 0.751 281 E CB 0.579 30.349 29.700 0.117 0.000 1.241 281 E HN 0.690 nan 8.360 nan 0.000 0.423 282 L N 3.179 124.462 121.223 0.101 0.000 2.490 282 L HA 0.216 4.556 4.340 -0.000 0.000 0.274 282 L C 1.362 178.248 176.870 0.027 0.000 1.201 282 L CA 0.514 55.340 54.840 -0.024 0.000 0.869 282 L CB 0.879 42.828 42.059 -0.182 0.000 1.123 282 L HN 0.822 nan 8.230 nan 0.000 0.484 283 G N 3.295 112.097 108.800 0.004 0.000 2.576 283 G HA2 0.173 4.133 3.960 -0.000 0.000 0.210 283 G HA3 0.173 4.133 3.960 -0.000 0.000 0.210 283 G C 0.064 174.961 174.900 -0.005 0.000 1.143 283 G CA 0.681 45.788 45.100 0.013 0.000 0.819 283 G HN 0.474 nan 8.290 nan 0.000 0.534 284 V N -2.259 117.631 119.914 -0.040 0.000 2.577 284 V HA 0.828 4.948 4.120 -0.000 0.000 0.303 284 V C 0.085 176.143 176.094 -0.060 0.000 1.042 284 V CA -1.450 60.825 62.300 -0.042 0.000 0.872 284 V CB 0.888 32.676 31.823 -0.057 0.000 0.998 284 V HN 0.504 nan 8.190 nan 0.000 0.423 285 A N 4.056 126.863 122.820 -0.023 0.000 2.580 285 A HA 0.344 4.664 4.320 -0.000 0.000 0.244 285 A C 0.339 177.902 177.584 -0.036 0.000 1.045 285 A CA 0.595 52.625 52.037 -0.011 0.000 0.761 285 A CB -0.257 18.755 19.000 0.021 0.000 0.962 285 A HN 0.926 nan 8.150 nan 0.000 0.512 286 K N 1.498 121.881 120.400 -0.030 0.000 2.378 286 K HA 0.386 4.706 4.320 -0.000 0.000 0.252 286 K C -0.456 176.176 176.600 0.053 0.000 0.931 286 K CA -0.478 55.798 56.287 -0.019 0.000 0.794 286 K CB 1.919 34.378 32.500 -0.067 0.000 1.181 286 K HN 0.575 nan 8.250 nan 0.000 0.425 287 T N 1.903 116.477 114.554 0.034 0.000 4.508 287 T HA 0.243 4.593 4.350 -0.000 0.000 0.232 287 T C 0.262 174.998 174.700 0.059 0.000 1.027 287 T CA -0.114 62.012 62.100 0.043 0.000 0.999 287 T CB -0.593 68.288 68.868 0.021 0.000 1.402 287 T HN 0.883 nan 8.240 nan 0.000 1.003 288 G N 2.527 111.389 108.800 0.104 0.000 3.409 288 G HA2 0.032 3.992 3.960 -0.000 0.000 0.686 288 G HA3 0.032 3.992 3.960 -0.000 0.000 0.686 288 G C -0.675 174.307 174.900 0.137 0.000 1.017 288 G CA -0.924 44.220 45.100 0.074 0.000 0.854 288 G HN 0.667 nan 8.290 nan 0.000 0.508 289 F N 0.392 120.384 119.950 0.069 0.000 2.577 289 F HA 0.859 5.386 4.527 -0.000 0.000 0.318 289 F C -0.056 175.826 175.800 0.137 0.000 1.065 289 F CA -1.731 56.337 58.000 0.113 0.000 0.929 289 F CB 1.779 40.861 39.000 0.136 0.000 1.237 289 F HN 0.866 nan 8.300 nan 0.000 0.468 290 C N 4.282 123.737 119.300 0.258 0.000 2.442 290 C HA 0.797 5.257 4.460 -0.000 0.000 0.335 290 C C -0.876 174.021 174.990 -0.155 0.000 1.134 290 C CA -0.425 58.593 59.018 -0.001 0.000 1.344 290 C CB 0.204 28.020 27.740 0.126 0.000 1.956 290 C HN 0.856 nan 8.230 nan 0.000 0.438 291 V N 5.469 124.992 119.914 -0.653 0.000 2.607 291 V HA 0.756 4.876 4.120 -0.000 0.000 0.289 291 V C 0.763 176.356 176.094 -0.835 0.000 1.053 291 V CA 0.124 61.845 62.300 -0.966 0.000 0.996 291 V CB 1.472 32.397 31.823 -1.496 0.000 0.995 291 V HN 1.114 nan 8.190 nan 0.000 0.476 292 A N 5.439 127.848 122.820 -0.685 0.000 2.365 292 A HA 0.869 5.189 4.320 -0.000 0.000 0.318 292 A C -0.829 176.522 177.584 -0.388 0.000 1.091 292 A CA -0.556 51.141 52.037 -0.565 0.000 0.763 292 A CB 1.042 19.545 19.000 -0.829 0.000 1.248 292 A HN 0.743 nan 8.150 nan 0.000 0.442 293 I N 2.026 122.535 120.570 -0.101 0.000 2.437 293 I HA 0.285 4.455 4.170 -0.000 0.000 0.279 293 I C -0.198 176.045 176.117 0.210 0.000 1.028 293 I CA 0.028 61.397 61.300 0.114 0.000 1.142 293 I CB 1.356 39.514 38.000 0.263 0.000 1.266 293 I HN 0.788 nan 8.210 nan 0.000 0.461 294 E N 5.292 125.607 120.200 0.191 0.000 2.145 294 E HA 0.706 5.056 4.350 -0.000 0.000 0.270 294 E C -0.306 176.377 176.600 0.138 0.000 0.906 294 E CA -0.370 56.187 56.400 0.261 0.000 0.761 294 E CB 1.722 31.627 29.700 0.342 0.000 1.116 294 E HN 0.788 nan 8.360 nan 0.000 0.408 295 G N 3.351 112.205 108.800 0.090 0.000 2.529 295 G HA2 0.110 4.070 3.960 -0.000 0.000 0.238 295 G HA3 0.110 4.070 3.960 -0.000 0.000 0.238 295 G C -1.367 173.488 174.900 -0.075 0.000 1.207 295 G CA -0.691 44.332 45.100 -0.128 0.000 0.928 295 G HN 0.428 nan 8.290 nan 0.000 0.495 296 E N -0.160 119.915 120.200 -0.209 0.000 2.113 296 E HA 0.648 4.998 4.350 -0.000 0.000 0.273 296 E C -1.364 175.139 176.600 -0.163 0.000 0.924 296 E CA -0.443 55.919 56.400 -0.064 0.000 0.764 296 E CB 0.723 30.385 29.700 -0.064 0.000 1.104 296 E HN 0.197 nan 8.360 nan 0.000 0.406 297 F N 2.170 122.100 119.950 -0.034 0.000 2.422 297 F HA 0.513 5.040 4.527 -0.000 0.000 0.333 297 F C 0.881 176.677 175.800 -0.007 0.000 1.095 297 F CA -0.439 57.543 58.000 -0.030 0.000 1.038 297 F CB 1.795 40.792 39.000 -0.005 0.000 1.156 297 F HN 0.354 nan 8.300 nan 0.000 0.483 298 T N 0.084 114.730 114.554 0.153 0.000 2.838 298 T HA 0.744 5.094 4.350 -0.000 0.000 0.292 298 T C -0.776 173.984 174.700 0.099 0.000 1.113 298 T CA -0.884 61.283 62.100 0.112 0.000 1.008 298 T CB 1.380 70.290 68.868 0.070 0.000 1.259 298 T HN 0.383 nan 8.240 nan 0.000 0.520 299 I N 1.800 122.424 120.570 0.090 0.000 2.359 299 I HA 0.314 4.484 4.170 -0.000 0.000 0.294 299 I C -0.234 175.901 176.117 0.030 0.000 0.987 299 I CA -1.132 60.209 61.300 0.068 0.000 1.225 299 I CB 1.386 39.441 38.000 0.090 0.000 1.366 299 I HN 0.517 nan 8.210 nan 0.000 0.466 300 L N 5.053 126.273 121.223 -0.005 0.000 2.529 300 L HA 0.026 4.366 4.340 -0.000 0.000 0.287 300 L C 0.894 177.683 176.870 -0.135 0.000 1.241 300 L CA 0.668 55.466 54.840 -0.070 0.000 0.857 300 L CB 0.140 42.164 42.059 -0.057 0.000 1.113 300 L HN 0.714 nan 8.230 nan 0.000 0.504 301 A N 3.063 125.689 122.820 -0.323 0.000 2.561 301 A HA 0.109 4.429 4.320 -0.000 0.000 0.234 301 A C 0.808 178.249 177.584 -0.239 0.000 1.055 301 A CA 0.322 52.015 52.037 -0.573 0.000 0.756 301 A CB -0.776 17.567 19.000 -1.095 0.000 0.986 301 A HN 0.974 nan 8.150 nan 0.000 0.505 302 N N 0.268 118.906 118.700 -0.103 0.000 2.727 302 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 302 N C 0.401 175.915 175.510 0.006 0.000 1.048 302 N CA 1.171 54.220 53.050 -0.002 0.000 0.714 302 N CB -0.557 37.926 38.487 -0.006 0.000 0.959 302 N HN 0.662 nan 8.380 nan 0.000 0.544 303 R N -1.242 119.274 120.500 0.026 0.000 2.526 303 R HA 0.141 4.481 4.340 -0.000 0.000 0.346 303 R C 1.238 177.593 176.300 0.092 0.000 0.926 303 R CA 0.832 56.956 56.100 0.041 0.000 1.147 303 R CB 0.236 30.543 30.300 0.012 0.000 1.629 303 R HN 0.397 nan 8.270 nan 0.000 0.516 304 S N 0.556 116.337 115.700 0.134 0.000 2.474 304 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 304 S C 1.596 176.346 174.600 0.250 0.000 0.997 304 S CA 0.550 58.888 58.200 0.230 0.000 0.949 304 S CB 0.105 63.496 63.200 0.318 0.000 0.766 304 S HN 0.097 nan 8.310 nan 0.000 0.517 305 Q N 2.336 122.233 119.800 0.162 0.000 2.096 305 Q HA -0.125 4.215 4.340 -0.000 0.000 0.208 305 Q C 2.523 178.599 176.000 0.127 0.000 0.993 305 Q CA 1.871 57.748 55.803 0.124 0.000 0.862 305 Q CB -1.532 27.249 28.738 0.073 0.000 0.915 305 Q HN 0.698 nan 8.270 nan 0.000 0.416 306 A N 1.131 124.024 122.820 0.122 0.000 1.859 306 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 306 A C 2.105 179.789 177.584 0.167 0.000 1.209 306 A CA 1.996 54.106 52.037 0.122 0.000 0.639 306 A CB -1.347 17.718 19.000 0.109 0.000 0.835 306 A HN 0.440 nan 8.150 nan 0.000 0.450 307 Y N -0.701 119.622 120.300 0.039 0.000 2.053 307 Y HA -0.295 4.255 4.550 -0.000 0.000 0.277 307 Y C 2.203 178.136 175.900 0.055 0.000 1.159 307 Y CA 1.908 60.012 58.100 0.007 0.000 1.125 307 Y CB -1.072 37.318 38.460 -0.118 0.000 0.969 307 Y HN 0.409 nan 8.280 nan 0.000 0.492 308 Y N -0.503 119.681 120.300 -0.193 0.000 2.574 308 Y HA -0.114 4.436 4.550 -0.000 0.000 0.294 308 Y C 2.082 177.784 175.900 -0.331 0.000 1.142 308 Y CA 1.234 59.007 58.100 -0.544 0.000 1.314 308 Y CB -0.123 38.027 38.460 -0.517 0.000 0.991 308 Y HN 0.112 nan 8.280 nan 0.000 0.555 309 T N -0.248 114.321 114.554 0.024 0.000 3.086 309 T HA 0.132 4.482 4.350 -0.000 0.000 0.250 309 T C 0.835 175.580 174.700 0.075 0.000 1.074 309 T CA 0.019 62.147 62.100 0.046 0.000 0.988 309 T CB -0.020 68.884 68.868 0.060 0.000 0.988 309 T HN 0.271 nan 8.240 nan 0.000 0.530 310 L N 1.041 122.324 121.223 0.099 0.000 4.089 310 L HA -0.226 4.114 4.340 -0.000 0.000 0.408 310 L C 1.025 177.944 176.870 0.081 0.000 1.184 310 L CA 0.066 54.973 54.840 0.111 0.000 0.947 310 L CB -1.579 40.548 42.059 0.114 0.000 2.066 310 L HN 0.246 nan 8.230 nan 0.000 0.851 311 N N -0.350 118.399 118.700 0.081 0.000 2.280 311 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 311 N C 1.478 177.026 175.510 0.062 0.000 1.109 311 N CA 0.734 53.823 53.050 0.065 0.000 0.855 311 N CB 0.333 38.857 38.487 0.061 0.000 0.974 311 N HN 0.490 nan 8.380 nan 0.000 0.482 312 S N -0.809 114.940 115.700 0.082 0.000 2.593 312 S HA 0.191 4.661 4.470 -0.000 0.000 0.217 312 S C 0.568 175.198 174.600 0.050 0.000 0.966 312 S CA -0.253 57.995 58.200 0.080 0.000 0.914 312 S CB -0.247 63.033 63.200 0.133 0.000 0.776 312 S HN 0.148 nan 8.310 nan 0.000 0.523 313 I N 3.458 124.051 120.570 0.039 0.000 2.337 313 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 313 I C 1.402 177.526 176.117 0.011 0.000 1.046 313 I CA -0.212 61.096 61.300 0.014 0.000 1.324 313 I CB 1.226 39.237 38.000 0.017 0.000 1.409 313 I HN 0.363 nan 8.210 nan 0.000 0.494 314 T N 1.523 116.077 114.554 0.001 0.000 3.085 314 T HA 0.111 4.461 4.350 -0.000 0.000 0.241 314 T C 0.830 175.531 174.700 0.001 0.000 0.988 314 T CA -0.137 61.965 62.100 0.003 0.000 1.117 314 T CB 0.157 69.027 68.868 0.003 0.000 0.978 314 T HN 0.354 nan 8.240 nan 0.000 0.454 315 Q N 1.167 120.965 119.800 -0.003 0.000 2.272 315 Q HA 0.635 4.975 4.340 -0.000 0.000 0.192 315 Q C -0.565 175.434 176.000 -0.002 0.000 1.059 315 Q CA 0.207 56.011 55.803 0.001 0.000 1.084 315 Q CB 0.963 29.704 28.738 0.005 0.000 1.139 315 Q HN 0.457 nan 8.270 nan 0.000 0.593 316 T N 0.420 114.974 114.554 0.000 0.000 3.486 316 T HA 0.460 4.810 4.350 -0.000 0.000 0.375 316 T C -2.708 171.991 174.700 -0.001 0.000 1.459 316 T CA -1.231 60.868 62.100 -0.003 0.000 1.151 316 T CB 0.323 69.188 68.868 -0.005 0.000 1.336 316 T HN 0.442 nan 8.240 nan 0.000 0.477 317 P HA 0.471 nan 4.420 nan 0.000 0.269 317 P C -0.671 176.629 177.300 0.001 0.000 1.215 317 P CA -0.174 62.923 63.100 -0.004 0.000 0.780 317 P CB 0.559 32.256 31.700 -0.005 0.000 0.898 318 T N 0.456 115.007 114.554 -0.005 0.000 2.908 318 T HA 0.503 4.853 4.350 -0.000 0.000 0.290 318 T C -0.486 174.214 174.700 -0.000 0.000 1.034 318 T CA -0.717 61.377 62.100 -0.010 0.000 1.010 318 T CB 1.044 69.894 68.868 -0.029 0.000 1.068 318 T HN 0.448 nan 8.240 nan 0.000 0.481 319 S N 2.396 118.107 115.700 0.019 0.000 2.480 319 S HA 0.805 5.275 4.470 -0.000 0.000 0.286 319 S C -0.208 174.405 174.600 0.022 0.000 1.180 319 S CA -0.814 57.411 58.200 0.042 0.000 1.075 319 S CB 0.079 63.344 63.200 0.109 0.000 0.996 319 S HN 0.771 nan 8.310 nan 0.000 0.487 320 I N -0.789 119.784 120.570 0.004 0.000 3.095 320 I HA 0.619 4.789 4.170 -0.000 0.000 0.310 320 I C -0.655 175.448 176.117 -0.023 0.000 1.196 320 I CA -1.139 60.148 61.300 -0.022 0.000 0.985 320 I CB 2.042 40.010 38.000 -0.052 0.000 1.250 320 I HN 0.660 nan 8.210 nan 0.000 0.446 321 D N 2.157 122.515 120.400 -0.071 0.000 2.453 321 D HA 0.134 4.774 4.640 -0.000 0.000 0.282 321 D C -0.446 175.811 176.300 -0.073 0.000 1.222 321 D CA -0.070 53.901 54.000 -0.049 0.000 1.079 321 D CB 0.751 41.531 40.800 -0.034 0.000 1.128 321 D HN 0.774 nan 8.370 nan 0.000 0.568 322 D N -2.745 117.668 120.400 0.023 0.000 2.599 322 D HA 0.101 4.741 4.640 -0.000 0.000 0.249 322 D C -0.039 176.475 176.300 0.356 0.000 1.313 322 D CA -0.793 53.349 54.000 0.237 0.000 0.815 322 D CB -1.188 39.854 40.800 0.402 0.000 1.077 322 D HN 0.450 nan 8.370 nan 0.000 0.492 323 F N 1.496 121.621 119.950 0.293 0.000 3.093 323 F HA -0.303 4.224 4.527 -0.000 0.000 0.287 323 F C 0.069 176.147 175.800 0.464 0.000 0.882 323 F CA 0.707 58.872 58.000 0.274 0.000 1.063 323 F CB -1.872 37.080 39.000 -0.080 0.000 1.097 323 F HN 0.006 nan 8.300 nan 0.000 0.604 324 D N -2.577 118.125 120.400 0.502 0.000 3.006 324 D HA -0.237 4.403 4.640 -0.000 0.000 0.208 324 D C 1.507 178.140 176.300 0.555 0.000 1.116 324 D CA 0.990 55.274 54.000 0.474 0.000 0.998 324 D CB -1.443 39.668 40.800 0.518 0.000 1.124 324 D HN 0.470 nan 8.370 nan 0.000 0.413 325 V N 1.366 121.616 119.914 0.561 0.000 2.370 325 V HA -0.349 3.771 4.120 -0.000 0.000 0.252 325 V C 2.596 178.864 176.094 0.290 0.000 1.068 325 V CA 3.466 65.962 62.300 0.327 0.000 1.061 325 V CB -0.431 31.302 31.823 -0.149 0.000 0.656 325 V HN 0.566 nan 8.190 nan 0.000 0.455 326 S N -0.504 115.343 115.700 0.244 0.000 2.387 326 S HA -0.276 4.194 4.470 -0.000 0.000 0.230 326 S C 1.691 176.370 174.600 0.131 0.000 1.035 326 S CA 1.762 60.067 58.200 0.176 0.000 1.014 326 S CB -0.802 62.497 63.200 0.165 0.000 0.836 326 S HN 0.716 nan 8.310 nan 0.000 0.466 327 D N 0.689 121.165 120.400 0.127 0.000 2.264 327 D HA 0.035 4.675 4.640 -0.000 0.000 0.208 327 D C 1.192 177.389 176.300 -0.171 0.000 0.966 327 D CA 0.810 54.776 54.000 -0.056 0.000 0.864 327 D CB -0.319 40.386 40.800 -0.158 0.000 0.933 327 D HN 0.536 nan 8.370 nan 0.000 0.499 328 F N 0.043 120.033 119.950 0.068 0.000 2.619 328 F HA 0.170 4.697 4.527 -0.000 0.000 0.293 328 F C 2.218 178.050 175.800 0.054 0.000 1.119 328 F CA 0.029 58.063 58.000 0.057 0.000 1.445 328 F CB -0.152 38.884 39.000 0.060 0.000 1.119 328 F HN -0.133 nan 8.300 nan 0.000 0.573 329 L N -0.588 120.761 121.223 0.211 0.000 2.141 329 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 329 L C 2.309 179.227 176.870 0.081 0.000 1.094 329 L CA 1.155 56.099 54.840 0.173 0.000 0.763 329 L CB -1.144 40.975 42.059 0.100 0.000 0.908 329 L HN 0.126 nan 8.230 nan 0.000 0.437 330 T N -0.277 114.275 114.554 -0.003 0.000 2.572 330 T HA -0.340 4.010 4.350 -0.000 0.000 0.258 330 T C 1.770 176.442 174.700 -0.047 0.000 1.154 330 T CA 2.545 64.607 62.100 -0.063 0.000 1.157 330 T CB -0.699 68.130 68.868 -0.064 0.000 0.856 330 T HN 0.461 nan 8.240 nan 0.000 0.443 331 T N 1.992 116.551 114.554 0.007 0.000 2.595 331 T HA -0.125 4.225 4.350 -0.000 0.000 0.264 331 T C 1.536 176.263 174.700 0.045 0.000 1.058 331 T CA 1.576 63.683 62.100 0.012 0.000 1.166 331 T CB -0.849 68.031 68.868 0.019 0.000 0.863 331 T HN 0.341 nan 8.240 nan 0.000 0.415 332 F N 1.912 121.843 119.950 -0.032 0.000 2.087 332 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 332 F C 2.024 177.812 175.800 -0.021 0.000 1.100 332 F CA 0.815 58.806 58.000 -0.014 0.000 1.226 332 F CB -0.866 38.153 39.000 0.031 0.000 0.983 332 F HN -0.016 nan 8.300 nan 0.000 0.479 333 L N -0.135 120.975 121.223 -0.188 0.000 2.043 333 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 333 L C 2.730 179.396 176.870 -0.340 0.000 1.075 333 L CA 2.083 56.713 54.840 -0.350 0.000 0.752 333 L CB -1.449 40.388 42.059 -0.369 0.000 0.891 333 L HN 0.186 nan 8.230 nan 0.000 0.432 334 S N -1.398 114.164 115.700 -0.230 0.000 2.368 334 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 334 S C 1.855 176.360 174.600 -0.159 0.000 1.030 334 S CA 1.010 59.100 58.200 -0.183 0.000 0.999 334 S CB -0.110 63.020 63.200 -0.117 0.000 0.844 334 S HN 0.490 nan 8.310 nan 0.000 0.459 335 Q N 0.566 120.281 119.800 -0.140 0.000 2.167 335 Q HA 0.045 4.385 4.340 -0.000 0.000 0.202 335 Q C 2.219 178.152 176.000 -0.112 0.000 0.970 335 Q CA 0.744 56.498 55.803 -0.081 0.000 0.855 335 Q CB -0.478 28.278 28.738 0.029 0.000 0.911 335 Q HN 0.510 nan 8.270 nan 0.000 0.438 336 L N 0.234 121.294 121.223 -0.271 0.000 2.017 336 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 336 L C 2.551 179.387 176.870 -0.057 0.000 1.073 336 L CA 1.327 56.046 54.840 -0.202 0.000 0.745 336 L CB -0.287 41.552 42.059 -0.367 0.000 0.894 336 L HN 0.202 nan 8.230 nan 0.000 0.432 337 R N -0.225 120.201 120.500 -0.124 0.000 2.090 337 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 337 R C 2.366 178.629 176.300 -0.061 0.000 1.110 337 R CA 1.071 57.113 56.100 -0.097 0.000 0.973 337 R CB -0.491 29.675 30.300 -0.223 0.000 0.869 337 R HN 0.304 nan 8.270 nan 0.000 0.440 338 A N 1.485 124.260 122.820 -0.076 0.000 1.978 338 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 338 A C 2.155 179.713 177.584 -0.044 0.000 1.170 338 A CA 1.620 53.623 52.037 -0.058 0.000 0.636 338 A CB -0.594 18.370 19.000 -0.060 0.000 0.810 338 A HN 0.667 nan 8.150 nan 0.000 0.448 339 C N -2.832 116.444 119.300 -0.040 0.000 2.760 339 C HA 0.599 5.059 4.460 -0.000 0.000 0.293 339 C C 1.258 176.252 174.990 0.007 0.000 1.383 339 C CA -0.523 58.471 59.018 -0.040 0.000 1.771 339 C CB -1.113 26.563 27.740 -0.107 0.000 2.353 339 C HN 1.721 nan 8.230 nan 0.000 0.578 340 G N 1.941 110.760 108.800 0.031 0.000 2.354 340 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.278 340 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.278 340 G C 0.291 175.252 174.900 0.103 0.000 0.953 340 G CA 0.768 45.908 45.100 0.068 0.000 1.346 340 G HN 0.747 nan 8.290 nan 0.000 0.467 341 Q N -0.676 119.214 119.800 0.150 0.000 1.982 341 Q HA 0.034 4.374 4.340 -0.000 0.000 0.208 341 Q C 1.545 177.684 176.000 0.232 0.000 0.751 341 Q CA -0.077 55.836 55.803 0.183 0.000 0.914 341 Q CB 0.097 28.975 28.738 0.234 0.000 1.207 341 Q HN 0.657 nan 8.270 nan 0.000 0.433 342 Y N 2.895 123.249 120.300 0.091 0.000 2.173 342 Y HA -0.306 4.244 4.550 -0.000 0.000 0.282 342 Y C 1.539 177.564 175.900 0.208 0.000 1.192 342 Y CA 2.351 60.531 58.100 0.132 0.000 1.176 342 Y CB 0.267 38.773 38.460 0.078 0.000 0.969 342 Y HN 0.089 nan 8.280 nan 0.000 0.519 343 E N -0.271 119.966 120.200 0.060 0.000 2.021 343 E HA -0.082 4.268 4.350 -0.000 0.000 0.189 343 E C 2.074 178.675 176.600 0.002 0.000 0.980 343 E CA 1.422 57.795 56.400 -0.045 0.000 0.803 343 E CB -0.420 29.292 29.700 0.019 0.000 0.766 343 E HN 0.368 nan 8.360 nan 0.000 0.449 344 I N 0.559 121.162 120.570 0.055 0.000 2.113 344 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 344 I C 2.093 178.222 176.117 0.021 0.000 1.064 344 I CA 1.311 62.635 61.300 0.039 0.000 1.320 344 I CB -0.613 37.429 38.000 0.071 0.000 1.028 344 I HN 0.091 nan 8.210 nan 0.000 0.406 345 F N 0.768 120.683 119.950 -0.058 0.000 2.069 345 F HA -0.314 4.213 4.527 -0.000 0.000 0.298 345 F C 2.929 178.606 175.800 -0.205 0.000 1.113 345 F CA 2.030 59.951 58.000 -0.133 0.000 1.214 345 F CB -0.638 38.316 39.000 -0.076 0.000 0.978 345 F HN 0.066 nan 8.300 nan 0.000 0.474 346 S N -0.421 115.296 115.700 0.029 0.000 2.420 346 S HA -0.217 4.253 4.470 -0.000 0.000 0.237 346 S C 1.833 176.356 174.600 -0.129 0.000 1.023 346 S CA 1.844 60.049 58.200 0.008 0.000 0.991 346 S CB -0.594 62.652 63.200 0.077 0.000 0.792 346 S HN 0.493 nan 8.310 nan 0.000 0.488 347 D N 0.843 121.156 120.400 -0.145 0.000 2.144 347 D HA 0.118 4.758 4.640 -0.000 0.000 0.207 347 D C 2.328 178.497 176.300 -0.219 0.000 0.970 347 D CA 1.189 55.105 54.000 -0.140 0.000 0.853 347 D CB -0.589 40.154 40.800 -0.095 0.000 1.007 347 D HN 0.482 nan 8.370 nan 0.000 0.469 348 A N 0.882 123.525 122.820 -0.296 0.000 1.978 348 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 348 A C 2.099 179.394 177.584 -0.482 0.000 1.170 348 A CA 1.410 53.226 52.037 -0.368 0.000 0.636 348 A CB -0.423 18.324 19.000 -0.421 0.000 0.810 348 A HN 0.116 nan 8.150 nan 0.000 0.448 349 M N -0.067 119.149 119.600 -0.640 0.000 2.175 349 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 349 M C 1.299 177.383 176.300 -0.361 0.000 1.063 349 M CA 1.496 56.391 55.300 -0.675 0.000 1.119 349 M CB -0.519 31.512 32.600 -0.949 0.000 1.377 349 M HN 0.379 nan 8.290 nan 0.000 0.415 350 D N -0.520 119.728 120.400 -0.253 0.000 2.117 350 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 350 D C 1.929 178.156 176.300 -0.122 0.000 0.987 350 D CA 1.266 55.176 54.000 -0.149 0.000 0.829 350 D CB -0.171 40.580 40.800 -0.081 0.000 0.961 350 D HN 0.531 nan 8.370 nan 0.000 0.460 351 Q N 0.004 119.711 119.800 -0.155 0.000 2.167 351 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 351 Q C 2.228 178.135 176.000 -0.156 0.000 0.970 351 Q CA 0.415 56.138 55.803 -0.133 0.000 0.855 351 Q CB -0.001 28.648 28.738 -0.149 0.000 0.911 351 Q HN 0.184 nan 8.270 nan 0.000 0.438 352 L N 0.808 121.898 121.223 -0.222 0.000 1.961 352 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 352 L C 2.559 179.334 176.870 -0.158 0.000 1.072 352 L CA 2.473 57.173 54.840 -0.235 0.000 0.749 352 L CB -0.971 40.896 42.059 -0.320 0.000 0.889 352 L HN 0.317 nan 8.230 nan 0.000 0.432 353 T N -3.067 111.404 114.554 -0.137 0.000 2.803 353 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 353 T C 1.921 176.624 174.700 0.004 0.000 1.052 353 T CA 1.546 63.603 62.100 -0.071 0.000 1.136 353 T CB -0.739 68.055 68.868 -0.124 0.000 0.864 353 T HN 0.411 nan 8.240 nan 0.000 0.467 354 N N 0.731 119.435 118.700 0.006 0.000 2.092 354 N HA -0.066 4.674 4.740 -0.000 0.000 0.189 354 N C 2.217 177.723 175.510 -0.007 0.000 1.040 354 N CA 1.437 54.512 53.050 0.042 0.000 0.845 354 N CB -0.382 38.122 38.487 0.028 0.000 1.017 354 N HN 0.420 nan 8.380 nan 0.000 0.426 355 S N 0.845 116.515 115.700 -0.049 0.000 2.400 355 S HA -0.104 4.366 4.470 -0.000 0.000 0.232 355 S C 1.948 176.516 174.600 -0.053 0.000 1.025 355 S CA 0.649 58.812 58.200 -0.061 0.000 0.993 355 S CB -0.266 62.877 63.200 -0.096 0.000 0.808 355 S HN 0.290 nan 8.310 nan 0.000 0.478 356 L N 1.625 122.811 121.223 -0.062 0.000 2.005 356 L HA 0.056 4.396 4.340 -0.000 0.000 0.207 356 L C 1.990 178.880 176.870 0.032 0.000 1.072 356 L CA 1.778 56.583 54.840 -0.058 0.000 0.744 356 L CB -0.626 41.369 42.059 -0.107 0.000 0.895 356 L HN 0.364 nan 8.230 nan 0.000 0.433 357 I N -0.737 119.846 120.570 0.023 0.000 2.264 357 I HA -0.343 3.827 4.170 -0.000 0.000 0.248 357 I C 2.226 178.389 176.117 0.077 0.000 1.111 357 I CA 1.622 62.951 61.300 0.048 0.000 1.382 357 I CB -0.900 37.116 38.000 0.027 0.000 1.060 357 I HN 0.357 nan 8.210 nan 0.000 0.418 358 T N 1.022 115.597 114.554 0.034 0.000 2.580 358 T HA -0.225 4.125 4.350 -0.000 0.000 0.265 358 T C 1.514 176.226 174.700 0.020 0.000 1.063 358 T CA 2.142 64.252 62.100 0.016 0.000 1.170 358 T CB -0.605 68.257 68.868 -0.011 0.000 0.863 358 T HN 0.341 nan 8.240 nan 0.000 0.418 359 N N 0.269 118.967 118.700 -0.004 0.000 2.503 359 N HA -0.074 4.666 4.740 -0.000 0.000 0.189 359 N C 1.091 176.518 175.510 -0.138 0.000 1.048 359 N CA 0.730 53.738 53.050 -0.070 0.000 0.905 359 N CB -0.347 38.074 38.487 -0.110 0.000 0.951 359 N HN 0.506 nan 8.380 nan 0.000 0.446 360 Y N -0.358 119.915 120.300 -0.045 0.000 2.510 360 Y HA 0.266 4.816 4.550 -0.000 0.000 0.273 360 Y C 0.266 176.158 175.900 -0.014 0.000 1.119 360 Y CA 0.217 58.299 58.100 -0.029 0.000 1.286 360 Y CB 0.320 38.752 38.460 -0.046 0.000 1.061 360 Y HN -0.030 nan 8.280 nan 0.000 0.542 361 M N 0.957 120.610 119.600 0.088 0.000 2.253 361 M HA 0.242 4.722 4.480 -0.000 0.000 0.314 361 M C -1.401 174.909 176.300 0.017 0.000 1.019 361 M CA -0.809 54.522 55.300 0.051 0.000 0.932 361 M CB 1.683 34.308 32.600 0.042 0.000 1.606 361 M HN -0.027 nan 8.290 nan 0.000 0.430 362 D N 4.953 125.359 120.400 0.011 0.000 2.217 362 D HA 0.518 5.158 4.640 -0.000 0.000 0.243 362 D C -2.438 173.864 176.300 0.003 0.000 1.054 362 D CA -1.252 52.749 54.000 0.001 0.000 0.838 362 D CB 1.348 42.147 40.800 -0.001 0.000 1.162 362 D HN 0.417 nan 8.370 nan 0.000 0.472 363 P HA 0.320 nan 4.420 nan 0.000 0.279 363 P C -2.555 174.742 177.300 -0.006 0.000 1.239 363 P CA -1.393 61.704 63.100 -0.004 0.000 0.789 363 P CB 0.033 31.730 31.700 -0.005 0.000 0.933 364 P HA 0.089 nan 4.420 nan 0.000 0.148 364 P C -0.766 176.527 177.300 -0.013 0.000 0.993 364 P CA 1.092 64.185 63.100 -0.012 0.000 1.195 364 P CB -0.839 30.852 31.700 -0.015 0.000 1.599 365 A N 2.409 125.222 122.820 -0.011 0.000 2.517 365 A HA 0.466 4.786 4.320 -0.000 0.000 0.297 365 A C -0.241 177.332 177.584 -0.019 0.000 1.050 365 A CA -0.810 51.217 52.037 -0.016 0.000 0.694 365 A CB 0.938 19.928 19.000 -0.017 0.000 1.277 365 A HN 0.170 nan 8.150 nan 0.000 0.400 366 I N 2.809 123.365 120.570 -0.024 0.000 2.906 366 I HA 0.030 4.200 4.170 -0.000 0.000 0.301 366 I C -1.706 174.386 176.117 -0.042 0.000 1.221 366 I CA -0.533 60.747 61.300 -0.033 0.000 1.435 366 I CB 0.026 38.002 38.000 -0.040 0.000 1.345 366 I HN 0.446 nan 8.210 nan 0.000 0.558 367 P HA 0.061 nan 4.420 nan 0.000 0.270 367 P C -0.664 176.596 177.300 -0.067 0.000 1.227 367 P CA -0.340 62.728 63.100 -0.054 0.000 0.788 367 P CB 0.485 32.148 31.700 -0.062 0.000 0.926 368 A N 1.417 124.203 122.820 -0.057 0.000 2.362 368 A HA 0.513 4.833 4.320 -0.000 0.000 0.276 368 A C 1.162 178.701 177.584 -0.074 0.000 1.153 368 A CA 0.341 52.343 52.037 -0.059 0.000 0.813 368 A CB -0.972 18.002 19.000 -0.044 0.000 1.081 368 A HN 0.875 nan 8.150 nan 0.000 0.507 369 G N 0.941 109.690 108.800 -0.085 0.000 2.142 369 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.225 369 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.225 369 G C -0.138 174.674 174.900 -0.146 0.000 1.015 369 G CA 0.201 45.242 45.100 -0.098 0.000 0.716 369 G HN 1.502 nan 8.290 nan 0.000 0.508 370 L N 1.130 122.242 121.223 -0.185 0.000 2.312 370 L HA 0.761 5.101 4.340 -0.000 0.000 0.287 370 L C 0.434 177.084 176.870 -0.366 0.000 1.091 370 L CA 0.047 54.698 54.840 -0.314 0.000 0.846 370 L CB 0.484 42.344 42.059 -0.331 0.000 1.219 370 L HN 0.824 nan 8.230 nan 0.000 0.439 371 A N 5.741 128.339 122.820 -0.370 0.000 2.340 371 A HA 0.546 4.866 4.320 -0.000 0.000 0.297 371 A C -0.934 176.486 177.584 -0.273 0.000 1.195 371 A CA -0.406 51.470 52.037 -0.269 0.000 0.769 371 A CB 0.104 19.021 19.000 -0.138 0.000 1.163 371 A HN 0.565 nan 8.150 nan 0.000 0.472 372 F N 2.111 122.027 119.950 -0.058 0.000 2.445 372 F HA 0.239 4.766 4.527 -0.000 0.000 0.359 372 F C 1.888 177.648 175.800 -0.066 0.000 1.101 372 F CA 0.435 58.394 58.000 -0.068 0.000 1.177 372 F CB 1.713 40.671 39.000 -0.069 0.000 1.110 372 F HN 0.695 nan 8.300 nan 0.000 0.522 373 T N -1.810 112.824 114.554 0.134 0.000 3.107 373 T HA 0.143 4.493 4.350 -0.000 0.000 0.249 373 T C 0.353 175.058 174.700 0.009 0.000 1.096 373 T CA 0.243 62.370 62.100 0.044 0.000 1.012 373 T CB -0.159 68.716 68.868 0.013 0.000 0.977 373 T HN 0.459 nan 8.240 nan 0.000 0.527 374 S N 0.700 116.397 115.700 -0.004 0.000 2.607 374 S HA 0.721 5.191 4.470 -0.000 0.000 0.273 374 S C -3.364 171.115 174.600 -0.202 0.000 1.148 374 S CA -1.578 56.553 58.200 -0.116 0.000 0.833 374 S CB 1.891 64.999 63.200 -0.153 0.000 1.130 374 S HN 0.084 nan 8.310 nan 0.000 0.470 375 P HA 0.128 nan 4.420 nan 0.000 0.274 375 P C 1.417 178.431 177.300 -0.478 0.000 1.237 375 P CA -0.585 62.286 63.100 -0.382 0.000 0.793 375 P CB 0.318 31.733 31.700 -0.475 0.000 0.977 376 W N 3.170 124.287 121.300 -0.306 0.000 2.279 376 W HA -0.245 4.415 4.660 -0.000 0.000 0.298 376 W C 0.853 177.376 176.519 0.006 0.000 1.228 376 W CA 1.233 58.481 57.345 -0.162 0.000 1.230 376 W CB -1.944 27.505 29.460 -0.018 0.000 1.138 376 W HN 0.309 nan 8.180 nan 0.000 0.532 377 F N 0.448 119.879 119.950 -0.864 0.000 2.693 377 F HA 0.470 4.997 4.527 -0.000 0.000 0.303 377 F C 1.417 177.040 175.800 -0.294 0.000 1.097 377 F CA -0.735 56.757 58.000 -0.847 0.000 1.330 377 F CB -0.893 37.242 39.000 -1.443 0.000 1.067 377 F HN -0.308 nan 8.300 nan 0.000 0.565 378 R N 0.276 120.464 120.500 -0.520 0.000 3.039 378 R HA 0.159 4.499 4.340 -0.000 0.000 0.336 378 R C 0.897 177.164 176.300 -0.055 0.000 1.258 378 R CA -0.496 55.464 56.100 -0.233 0.000 1.125 378 R CB -0.711 29.371 30.300 -0.362 0.000 1.427 378 R HN 0.287 nan 8.270 nan 0.000 0.588 379 F N 1.694 121.596 119.950 -0.079 0.000 2.064 379 F HA -0.493 4.034 4.527 -0.000 0.000 0.292 379 F C 2.389 178.206 175.800 0.028 0.000 1.107 379 F CA 2.628 60.634 58.000 0.010 0.000 1.243 379 F CB -0.404 38.659 39.000 0.105 0.000 0.949 379 F HN 0.266 nan 8.300 nan 0.000 0.506 380 S N -0.928 114.927 115.700 0.259 0.000 2.421 380 S HA -0.356 4.114 4.470 -0.000 0.000 0.239 380 S C 1.732 176.317 174.600 -0.025 0.000 1.054 380 S CA 1.896 60.169 58.200 0.123 0.000 1.035 380 S CB -0.933 62.330 63.200 0.104 0.000 0.840 380 S HN 0.731 nan 8.310 nan 0.000 0.475 381 E N 1.028 121.190 120.200 -0.063 0.000 2.030 381 E HA 0.063 4.413 4.350 -0.000 0.000 0.189 381 E C 2.617 179.156 176.600 -0.102 0.000 0.974 381 E CA 0.540 56.895 56.400 -0.074 0.000 0.807 381 E CB -0.125 29.533 29.700 -0.071 0.000 0.771 381 E HN 0.435 nan 8.360 nan 0.000 0.451 382 R N 0.688 121.083 120.500 -0.174 0.000 2.139 382 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 382 R C 2.326 178.505 176.300 -0.202 0.000 1.145 382 R CA 1.034 57.045 56.100 -0.148 0.000 0.976 382 R CB -0.418 29.653 30.300 -0.382 0.000 0.866 382 R HN 0.129 nan 8.270 nan 0.000 0.449 383 A N 2.165 124.732 122.820 -0.421 0.000 1.865 383 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 383 A C 2.201 179.711 177.584 -0.124 0.000 1.191 383 A CA 1.903 53.729 52.037 -0.351 0.000 0.623 383 A CB -0.561 18.265 19.000 -0.290 0.000 0.826 383 A HN 0.464 nan 8.150 nan 0.000 0.444 384 R N -1.130 119.321 120.500 -0.083 0.000 2.092 384 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 384 R C 1.847 178.127 176.300 -0.033 0.000 1.119 384 R CA 1.959 58.035 56.100 -0.041 0.000 0.970 384 R CB -1.290 28.993 30.300 -0.028 0.000 0.864 384 R HN 0.320 nan 8.270 nan 0.000 0.440 385 T N 2.016 116.559 114.554 -0.019 0.000 2.684 385 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 385 T C 1.907 176.584 174.700 -0.039 0.000 1.036 385 T CA 1.499 63.589 62.100 -0.016 0.000 1.148 385 T CB -0.094 68.807 68.868 0.055 0.000 0.863 385 T HN 0.125 nan 8.240 nan 0.000 0.436 386 I N 1.096 121.664 120.570 -0.003 0.000 2.226 386 I HA -0.053 4.117 4.170 -0.000 0.000 0.245 386 I C 2.095 178.187 176.117 -0.041 0.000 1.100 386 I CA 1.300 62.587 61.300 -0.022 0.000 1.374 386 I CB -1.227 36.766 38.000 -0.011 0.000 1.057 386 I HN 0.273 nan 8.210 nan 0.000 0.413 387 L N 0.612 121.814 121.223 -0.035 0.000 2.675 387 L HA -0.022 4.318 4.340 -0.000 0.000 0.238 387 L C 2.083 178.936 176.870 -0.028 0.000 1.155 387 L CA 0.169 54.993 54.840 -0.027 0.000 0.881 387 L CB -0.455 41.593 42.059 -0.018 0.000 1.008 387 L HN 0.172 nan 8.230 nan 0.000 0.443 388 A N -0.688 122.109 122.820 -0.039 0.000 2.229 388 A HA 0.266 4.586 4.320 -0.000 0.000 0.211 388 A C 0.985 178.542 177.584 -0.045 0.000 1.193 388 A CA -0.339 51.675 52.037 -0.039 0.000 0.879 388 A CB 0.189 19.162 19.000 -0.045 0.000 0.911 388 A HN 0.231 nan 8.150 nan 0.000 0.492 389 L N 1.410 122.600 121.223 -0.055 0.000 2.698 389 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 389 L C 1.100 177.948 176.870 -0.037 0.000 1.154 389 L CA -0.392 54.415 54.840 -0.056 0.000 0.964 389 L CB 0.126 42.146 42.059 -0.064 0.000 1.272 389 L HN 0.371 nan 8.230 nan 0.000 0.483 390 Q N 1.724 121.503 119.800 -0.034 0.000 2.369 390 Q HA -0.080 4.260 4.340 -0.000 0.000 0.206 390 Q C 1.448 177.435 176.000 -0.020 0.000 0.963 390 Q CA 0.546 56.335 55.803 -0.023 0.000 0.894 390 Q CB 0.073 28.798 28.738 -0.022 0.000 0.965 390 Q HN 0.657 nan 8.270 nan 0.000 0.475 391 N N 0.425 119.109 118.700 -0.026 0.000 2.006 391 N HA -0.096 4.644 4.740 -0.000 0.000 0.196 391 N C 0.531 176.032 175.510 -0.014 0.000 1.057 391 N CA 0.749 53.786 53.050 -0.022 0.000 0.853 391 N CB -0.072 38.397 38.487 -0.031 0.000 1.051 391 N HN 0.027 nan 8.380 nan 0.000 0.423 392 V N 2.101 122.006 119.914 -0.015 0.000 2.740 392 V HA -0.036 4.084 4.120 -0.000 0.000 0.303 392 V C 0.495 176.590 176.094 0.002 0.000 1.054 392 V CA -0.473 61.825 62.300 -0.003 0.000 1.106 392 V CB 0.508 32.329 31.823 -0.005 0.000 0.957 392 V HN 0.299 nan 8.190 nan 0.000 0.486 393 D N 2.143 122.551 120.400 0.013 0.000 2.443 393 D HA -0.015 4.625 4.640 -0.000 0.000 0.234 393 D C 0.870 177.178 176.300 0.014 0.000 1.172 393 D CA -0.185 53.825 54.000 0.016 0.000 0.878 393 D CB 0.668 41.484 40.800 0.027 0.000 1.204 393 D HN 0.431 nan 8.370 nan 0.000 0.453 394 L N 3.734 124.965 121.223 0.013 0.000 1.955 394 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 394 L C 1.680 178.559 176.870 0.015 0.000 1.072 394 L CA 1.760 56.607 54.840 0.011 0.000 0.755 394 L CB -0.972 41.095 42.059 0.012 0.000 0.888 394 L HN 0.564 nan 8.230 nan 0.000 0.432 395 N N 0.119 118.835 118.700 0.028 0.000 2.091 395 N HA -0.259 4.481 4.740 -0.000 0.000 0.193 395 N C 2.000 177.533 175.510 0.038 0.000 1.021 395 N CA 2.225 55.299 53.050 0.039 0.000 0.862 395 N CB -0.507 38.011 38.487 0.052 0.000 1.018 395 N HN 0.485 nan 8.380 nan 0.000 0.429 396 I N 1.368 121.966 120.570 0.048 0.000 2.163 396 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 396 I C 2.544 178.633 176.117 -0.047 0.000 1.085 396 I CA 1.142 62.477 61.300 0.058 0.000 1.347 396 I CB -0.220 37.834 38.000 0.091 0.000 1.044 396 I HN 0.116 nan 8.210 nan 0.000 0.408 397 R N 0.987 121.465 120.500 -0.037 0.000 2.097 397 R HA -0.225 4.115 4.340 -0.000 0.000 0.236 397 R C 2.336 178.588 176.300 -0.079 0.000 1.135 397 R CA 1.776 57.837 56.100 -0.064 0.000 0.934 397 R CB -0.394 29.887 30.300 -0.032 0.000 0.846 397 R HN 0.363 nan 8.270 nan 0.000 0.431 398 K N 0.564 120.944 120.400 -0.034 0.000 2.044 398 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 398 K C 2.195 178.764 176.600 -0.053 0.000 1.049 398 K CA 1.455 57.737 56.287 -0.008 0.000 0.927 398 K CB -0.284 32.232 32.500 0.027 0.000 0.713 398 K HN 0.177 nan 8.250 nan 0.000 0.443 399 L N 0.837 121.998 121.223 -0.103 0.000 2.017 399 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 399 L C 2.462 179.061 176.870 -0.452 0.000 1.073 399 L CA 1.384 56.096 54.840 -0.213 0.000 0.745 399 L CB -0.681 41.318 42.059 -0.100 0.000 0.894 399 L HN 0.224 nan 8.230 nan 0.000 0.432 400 I N -0.493 119.726 120.570 -0.586 0.000 2.145 400 I HA -0.321 3.849 4.170 -0.000 0.000 0.244 400 I C 2.520 178.515 176.117 -0.203 0.000 1.075 400 I CA 1.349 62.304 61.300 -0.574 0.000 1.332 400 I CB -0.493 37.258 38.000 -0.416 0.000 1.033 400 I HN 0.068 nan 8.210 nan 0.000 0.410 401 V N 0.797 120.669 119.914 -0.070 0.000 2.261 401 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 401 V C 2.591 178.859 176.094 0.290 0.000 1.047 401 V CA 1.846 64.231 62.300 0.141 0.000 1.015 401 V CB -0.818 31.094 31.823 0.148 0.000 0.642 401 V HN 0.362 nan 8.190 nan 0.000 0.446 402 R N -0.658 119.915 120.500 0.123 0.000 2.096 402 R HA -0.238 4.102 4.340 -0.000 0.000 0.240 402 R C 2.324 178.648 176.300 0.041 0.000 1.139 402 R CA 2.267 58.432 56.100 0.109 0.000 0.952 402 R CB -0.706 29.609 30.300 0.026 0.000 0.854 402 R HN 0.703 nan 8.270 nan 0.000 0.436 403 H N 0.511 119.292 119.070 -0.481 0.000 2.321 403 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 403 H C 2.262 177.613 175.328 0.038 0.000 1.087 403 H CA 1.568 57.336 56.048 -0.466 0.000 1.319 403 H CB -0.003 29.421 29.762 -0.563 0.000 1.379 403 H HN 0.093 nan 8.280 nan 0.000 0.501 404 L N -0.416 120.980 121.223 0.289 0.000 2.042 404 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 404 L C 2.258 179.375 176.870 0.411 0.000 1.076 404 L CA 1.615 56.654 54.840 0.331 0.000 0.749 404 L CB -0.365 41.874 42.059 0.300 0.000 0.893 404 L HN 0.492 nan 8.230 nan 0.000 0.432 405 W N -0.135 121.341 121.300 0.293 0.000 2.301 405 W HA -0.310 4.350 4.660 -0.000 0.000 0.325 405 W C 2.340 178.868 176.519 0.014 0.000 1.250 405 W CA 2.702 60.018 57.345 -0.048 0.000 1.261 405 W CB -0.616 28.807 29.460 -0.061 0.000 1.157 405 W HN -0.064 nan 8.180 nan 0.000 0.473 406 V N 1.178 121.400 119.914 0.513 0.000 2.278 406 V HA -0.383 3.737 4.120 -0.000 0.000 0.251 406 V C 2.143 178.307 176.094 0.116 0.000 1.062 406 V CA 2.308 64.837 62.300 0.382 0.000 1.038 406 V CB -1.019 31.083 31.823 0.465 0.000 0.646 406 V HN 0.291 nan 8.190 nan 0.000 0.447 407 I N -0.335 120.305 120.570 0.117 0.000 2.315 407 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 407 I C 2.495 178.589 176.117 -0.039 0.000 1.117 407 I CA 1.711 63.003 61.300 -0.014 0.000 1.404 407 I CB -0.575 37.409 38.000 -0.026 0.000 1.071 407 I HN 0.340 nan 8.210 nan 0.000 0.419 408 T N 0.208 114.733 114.554 -0.049 0.000 2.708 408 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 408 T C 2.126 176.737 174.700 -0.148 0.000 1.037 408 T CA 1.835 63.921 62.100 -0.023 0.000 1.146 408 T CB -0.341 68.484 68.868 -0.072 0.000 0.865 408 T HN 0.547 nan 8.240 nan 0.000 0.435 409 S N 1.956 117.381 115.700 -0.459 0.000 2.370 409 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 409 S C 2.031 176.554 174.600 -0.129 0.000 1.033 409 S CA 0.731 58.658 58.200 -0.454 0.000 1.011 409 S CB -0.789 61.960 63.200 -0.752 0.000 0.852 409 S HN 0.152 nan 8.310 nan 0.000 0.457 410 L N 1.872 123.070 121.223 -0.042 0.000 2.013 410 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 410 L C 2.506 179.407 176.870 0.052 0.000 1.073 410 L CA 1.338 56.227 54.840 0.082 0.000 0.753 410 L CB -1.252 40.774 42.059 -0.056 0.000 0.890 410 L HN 0.407 nan 8.230 nan 0.000 0.432 411 I N -0.860 119.740 120.570 0.049 0.000 2.163 411 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 411 I C 2.525 178.563 176.117 -0.132 0.000 1.085 411 I CA 1.343 62.675 61.300 0.054 0.000 1.347 411 I CB -0.553 37.509 38.000 0.104 0.000 1.044 411 I HN 0.246 nan 8.210 nan 0.000 0.408 412 A N 0.088 122.913 122.820 0.008 0.000 2.032 412 A HA -0.145 4.175 4.320 -0.000 0.000 0.221 412 A C 2.361 179.953 177.584 0.014 0.000 1.165 412 A CA 1.860 53.935 52.037 0.063 0.000 0.645 412 A CB -0.697 18.365 19.000 0.103 0.000 0.807 412 A HN 0.303 nan 8.150 nan 0.000 0.453 413 V N -2.148 117.757 119.914 -0.014 0.000 2.403 413 V HA -0.043 4.077 4.120 -0.000 0.000 0.239 413 V C 2.080 178.075 176.094 -0.164 0.000 1.041 413 V CA 1.387 63.653 62.300 -0.057 0.000 1.051 413 V CB -0.854 30.945 31.823 -0.041 0.000 0.704 413 V HN 0.520 nan 8.190 nan 0.000 0.472 414 F N 1.567 121.293 119.950 -0.374 0.000 2.365 414 F HA 0.067 4.594 4.527 -0.000 0.000 0.300 414 F C 2.243 177.826 175.800 -0.362 0.000 1.090 414 F CA 1.307 58.997 58.000 -0.516 0.000 1.408 414 F CB -0.852 37.374 39.000 -1.291 0.000 1.060 414 F HN 0.221 nan 8.300 nan 0.000 0.534 415 G N -0.615 108.053 108.800 -0.220 0.000 2.603 415 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.214 415 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.214 415 G C 1.665 176.657 174.900 0.153 0.000 1.140 415 G CA -0.074 44.941 45.100 -0.142 0.000 0.800 415 G HN 0.176 nan 8.290 nan 0.000 0.533 416 R N -0.363 120.133 120.500 -0.008 0.000 2.196 416 R HA -0.235 4.105 4.340 -0.000 0.000 0.259 416 R C 1.560 177.754 176.300 -0.177 0.000 1.154 416 R CA 1.907 57.935 56.100 -0.120 0.000 0.976 416 R CB -0.601 29.435 30.300 -0.441 0.000 0.888 416 R HN 0.557 nan 8.270 nan 0.000 0.453 417 Y N -1.284 119.140 120.300 0.206 0.000 2.471 417 Y HA 0.016 4.566 4.550 -0.000 0.000 0.286 417 Y C 0.317 176.354 175.900 0.228 0.000 1.188 417 Y CA -0.813 57.393 58.100 0.177 0.000 1.286 417 Y CB -0.254 38.278 38.460 0.121 0.000 1.072 417 Y HN 0.035 nan 8.280 nan 0.000 0.517 418 Y N 2.723 123.159 120.300 0.228 0.000 2.805 418 Y HA 0.098 4.648 4.550 -0.000 0.000 0.331 418 Y C 0.386 176.364 175.900 0.130 0.000 1.241 418 Y CA -0.428 57.792 58.100 0.200 0.000 1.546 418 Y CB 0.168 38.785 38.460 0.262 0.000 1.248 418 Y HN 0.205 nan 8.280 nan 0.000 0.559 419 R N 7.382 127.713 120.500 -0.281 0.000 3.207 419 R HA 0.255 4.595 4.340 -0.000 0.000 0.238 419 R C -2.643 173.491 176.300 -0.277 0.000 1.724 419 R CA -0.932 54.979 56.100 -0.315 0.000 1.079 419 R CB 0.491 30.736 30.300 -0.090 0.000 1.503 419 R HN 0.392 nan 8.270 nan 0.000 0.471 420 P HA -0.086 nan 4.420 nan 0.000 0.216 420 P C -0.391 176.852 177.300 -0.095 0.000 1.153 420 P CA 0.493 63.479 63.100 -0.190 0.000 0.844 420 P CB 0.050 31.636 31.700 -0.190 0.000 0.787 421 N N 0.000 118.634 118.700 -0.109 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.014 53.050 -0.060 0.000 0.885 421 N CB 0.000 38.452 38.487 -0.058 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667