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_J DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSXXX DATA SEQUENCE XXXXXDPRVP 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 55.573 55.300 0.455 0.000 0.988 1 M CB 0.000 32.700 32.600 0.167 0.000 1.302 2 S N 1.090 117.027 115.700 0.395 0.000 2.536 2 S HA -0.066 4.404 4.470 -0.000 0.000 0.290 2 S C 1.084 175.888 174.600 0.340 0.000 1.302 2 S CA 1.009 59.376 58.200 0.279 0.000 1.037 2 S CB 0.454 63.730 63.200 0.127 0.000 0.804 2 S HN 0.559 nan 8.310 nan 0.000 0.506 3 R N 2.258 122.695 120.500 -0.106 0.000 2.075 3 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 3 R C 1.960 178.282 176.300 0.037 0.000 1.126 3 R CA 1.045 56.918 56.100 -0.379 0.000 0.963 3 R CB -0.552 29.139 30.300 -1.016 0.000 0.858 3 R HN 0.554 nan 8.270 nan 0.000 0.435 4 Q N 0.996 120.793 119.800 -0.004 0.000 2.135 4 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 4 Q C 2.035 178.125 176.000 0.151 0.000 0.981 4 Q CA 1.704 57.544 55.803 0.062 0.000 0.856 4 Q CB -0.176 28.573 28.738 0.019 0.000 0.902 4 Q HN 0.445 nan 8.270 nan 0.000 0.425 5 M N -1.653 118.049 119.600 0.170 0.000 2.279 5 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 5 M C 1.308 177.707 176.300 0.165 0.000 1.062 5 M CA 1.370 56.752 55.300 0.137 0.000 1.099 5 M CB -0.088 32.582 32.600 0.116 0.000 1.394 5 M HN 0.206 nan 8.290 nan 0.000 0.426 6 W N -0.084 121.372 121.300 0.260 0.000 2.501 6 W HA -0.025 4.635 4.660 -0.000 0.000 0.309 6 W C 1.935 178.648 176.519 0.324 0.000 1.165 6 W CA 0.810 58.357 57.345 0.336 0.000 1.381 6 W CB -0.532 29.213 29.460 0.474 0.000 1.142 6 W HN 0.018 nan 8.180 nan 0.000 0.509 7 L N 0.087 121.627 121.223 0.529 0.000 2.021 7 L HA -0.314 4.026 4.340 -0.000 0.000 0.215 7 L C 1.984 179.067 176.870 0.355 0.000 1.074 7 L CA 1.751 56.855 54.840 0.441 0.000 0.760 7 L CB -1.041 41.223 42.059 0.342 0.000 0.889 7 L HN -0.026 nan 8.230 nan 0.000 0.433 8 D N -0.524 120.025 120.400 0.248 0.000 2.116 8 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 8 D C 2.147 178.489 176.300 0.070 0.000 0.998 8 D CA 1.880 55.948 54.000 0.114 0.000 0.836 8 D CB -0.063 40.780 40.800 0.072 0.000 0.951 8 D HN 0.230 nan 8.370 nan 0.000 0.449 9 T N -1.085 113.548 114.554 0.131 0.000 2.857 9 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 9 T C 1.959 176.714 174.700 0.090 0.000 1.048 9 T CA 1.303 63.467 62.100 0.108 0.000 1.139 9 T CB -0.398 68.566 68.868 0.160 0.000 0.874 9 T HN 0.085 nan 8.240 nan 0.000 0.455 10 S N 1.630 117.490 115.700 0.267 0.000 2.359 10 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 10 S C 2.447 177.054 174.600 0.012 0.000 1.039 10 S CA 1.679 59.981 58.200 0.169 0.000 1.042 10 S CB -0.713 62.729 63.200 0.403 0.000 0.915 10 S HN 0.514 nan 8.310 nan 0.000 0.439 11 A N 1.243 124.065 122.820 0.004 0.000 1.948 11 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 11 A C 2.223 179.708 177.584 -0.164 0.000 1.177 11 A CA 1.890 53.806 52.037 -0.201 0.000 0.636 11 A CB -0.959 17.689 19.000 -0.585 0.000 0.815 11 A HN 0.653 nan 8.150 nan 0.000 0.449 12 L N -0.816 120.329 121.223 -0.130 0.000 2.201 12 L HA 0.019 4.359 4.340 -0.000 0.000 0.212 12 L C 2.074 178.878 176.870 -0.109 0.000 1.105 12 L CA 1.384 56.151 54.840 -0.122 0.000 0.775 12 L CB -0.315 41.687 42.059 -0.095 0.000 0.913 12 L HN 0.392 nan 8.230 nan 0.000 0.440 13 L N -1.137 120.003 121.223 -0.138 0.000 2.162 13 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 13 L C 2.350 179.193 176.870 -0.044 0.000 1.086 13 L CA 0.773 55.533 54.840 -0.133 0.000 0.778 13 L CB -0.318 41.529 42.059 -0.354 0.000 0.928 13 L HN 0.293 nan 8.230 nan 0.000 0.446 14 E N 0.100 120.277 120.200 -0.037 0.000 2.268 14 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 14 E C 2.144 178.774 176.600 0.050 0.000 0.995 14 E CA 0.899 57.321 56.400 0.037 0.000 0.836 14 E CB 0.068 29.809 29.700 0.068 0.000 0.763 14 E HN 0.470 nan 8.360 nan 0.000 0.491 15 A N 1.308 124.126 122.820 -0.003 0.000 1.898 15 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 15 A C 2.081 179.677 177.584 0.019 0.000 1.183 15 A CA 0.563 52.600 52.037 -0.000 0.000 0.622 15 A CB -0.194 18.734 19.000 -0.119 0.000 0.824 15 A HN 0.075 nan 8.150 nan 0.000 0.444 16 I N 0.327 120.886 120.570 -0.019 0.000 2.163 16 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 16 I C 2.797 178.971 176.117 0.096 0.000 1.085 16 I CA 1.991 63.284 61.300 -0.012 0.000 1.347 16 I CB -1.480 36.563 38.000 0.071 0.000 1.044 16 I HN 0.455 nan 8.210 nan 0.000 0.408 17 S N 0.565 116.348 115.700 0.139 0.000 2.354 17 S HA -0.291 4.179 4.470 -0.000 0.000 0.219 17 S C 2.084 176.767 174.600 0.138 0.000 1.035 17 S CA 2.037 60.334 58.200 0.160 0.000 1.037 17 S CB -0.448 62.833 63.200 0.136 0.000 0.956 17 S HN 0.525 nan 8.310 nan 0.000 0.428 18 E N -0.775 119.509 120.200 0.141 0.000 2.068 18 E HA -0.271 4.079 4.350 -0.000 0.000 0.207 18 E C 1.883 178.537 176.600 0.090 0.000 1.032 18 E CA 2.108 58.582 56.400 0.123 0.000 0.839 18 E CB -0.486 29.317 29.700 0.172 0.000 0.758 18 E HN 0.758 nan 8.360 nan 0.000 0.457 19 Y N -0.206 120.081 120.300 -0.022 0.000 2.421 19 Y HA -0.102 4.448 4.550 -0.000 0.000 0.292 19 Y C 2.211 178.104 175.900 -0.011 0.000 1.136 19 Y CA 0.689 58.767 58.100 -0.037 0.000 1.255 19 Y CB -0.140 38.259 38.460 -0.102 0.000 0.991 19 Y HN 0.007 nan 8.280 nan 0.000 0.552 20 V N -1.398 118.594 119.914 0.131 0.000 2.323 20 V HA -0.213 3.907 4.120 -0.000 0.000 0.244 20 V C 2.260 178.407 176.094 0.089 0.000 1.041 20 V CA 1.574 63.951 62.300 0.129 0.000 1.025 20 V CB -0.738 31.192 31.823 0.177 0.000 0.656 20 V HN 0.257 nan 8.190 nan 0.000 0.451 21 V N -0.015 119.939 119.914 0.067 0.000 2.720 21 V HA -0.226 3.894 4.120 -0.000 0.000 0.256 21 V C 2.579 178.672 176.094 -0.002 0.000 1.082 21 V CA 1.953 64.273 62.300 0.033 0.000 1.101 21 V CB -0.535 31.302 31.823 0.025 0.000 0.693 21 V HN 0.482 nan 8.190 nan 0.000 0.479 22 R N -1.230 119.250 120.500 -0.034 0.000 2.090 22 R HA -0.075 4.265 4.340 -0.000 0.000 0.228 22 R C 2.134 178.416 176.300 -0.030 0.000 1.110 22 R CA 1.674 57.726 56.100 -0.080 0.000 0.973 22 R CB -0.523 29.644 30.300 -0.221 0.000 0.869 22 R HN 0.520 nan 8.270 nan 0.000 0.440 23 C N 0.661 119.971 119.300 0.017 0.000 2.522 23 C HA 0.044 4.504 4.460 -0.000 0.000 0.271 23 C C 1.117 176.098 174.990 -0.015 0.000 1.425 23 C CA -0.648 58.395 59.018 0.041 0.000 1.751 23 C CB -1.848 25.989 27.740 0.162 0.000 1.775 23 C HN 0.437 nan 8.230 nan 0.000 0.557 24 N N 0.625 119.320 118.700 -0.007 0.000 2.440 24 N HA 0.258 4.998 4.740 -0.000 0.000 0.265 24 N C 1.247 176.714 175.510 -0.070 0.000 1.239 24 N CA 0.845 53.877 53.050 -0.030 0.000 0.909 24 N CB 0.202 38.686 38.487 -0.005 0.000 1.066 24 N HN 0.499 nan 8.380 nan 0.000 0.474 25 G N 3.191 111.913 108.800 -0.131 0.000 2.175 25 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.265 25 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.265 25 G C -0.105 174.632 174.900 -0.272 0.000 0.979 25 G CA 0.378 45.371 45.100 -0.178 0.000 0.663 25 G HN 0.757 nan 8.290 nan 0.000 0.533 26 D N 0.707 120.949 120.400 -0.263 0.000 2.891 26 D HA 0.287 4.927 4.640 -0.000 0.000 0.312 26 D C 0.164 176.251 176.300 -0.354 0.000 1.354 26 D CA 0.261 54.154 54.000 -0.178 0.000 0.838 26 D CB 0.413 41.237 40.800 0.040 0.000 1.117 26 D HN 0.245 nan 8.370 nan 0.000 0.473 27 T N 0.513 114.621 114.554 -0.744 0.000 3.060 27 T HA 0.376 4.726 4.350 -0.000 0.000 0.367 27 T C 0.068 174.349 174.700 -0.698 0.000 1.229 27 T CA -0.493 61.250 62.100 -0.595 0.000 1.104 27 T CB 0.104 68.655 68.868 -0.528 0.000 1.083 27 T HN -0.131 nan 8.240 nan 0.000 0.524 28 F N 0.331 120.209 119.950 -0.120 0.000 2.461 28 F HA 0.558 5.085 4.527 -0.000 0.000 0.332 28 F C 2.011 177.766 175.800 -0.076 0.000 1.073 28 F CA -0.991 56.960 58.000 -0.082 0.000 1.017 28 F CB 0.831 39.801 39.000 -0.051 0.000 1.301 28 F HN 0.382 nan 8.300 nan 0.000 0.492 29 S N 0.699 116.497 115.700 0.163 0.000 2.380 29 S HA -0.058 4.412 4.470 -0.000 0.000 0.213 29 S C 1.568 176.205 174.600 0.061 0.000 1.037 29 S CA 1.416 59.659 58.200 0.073 0.000 1.034 29 S CB -0.866 62.373 63.200 0.065 0.000 1.022 29 S HN 0.815 nan 8.310 nan 0.000 0.418 30 G N 1.224 110.060 108.800 0.060 0.000 3.741 30 G HA2 0.483 4.443 3.960 -0.000 0.000 0.263 30 G HA3 0.483 4.443 3.960 -0.000 0.000 0.263 30 G C -0.873 174.058 174.900 0.052 0.000 1.175 30 G CA -0.105 45.022 45.100 0.045 0.000 1.642 30 G HN 0.396 nan 8.290 nan 0.000 0.644 31 L N -0.112 121.155 121.223 0.073 0.000 2.562 31 L HA 0.532 4.872 4.340 -0.000 0.000 0.266 31 L C -0.761 176.166 176.870 0.095 0.000 0.949 31 L CA -0.211 54.678 54.840 0.083 0.000 0.879 31 L CB 2.396 44.518 42.059 0.105 0.000 1.278 31 L HN -0.044 nan 8.230 nan 0.000 0.404 32 T N 3.058 117.671 114.554 0.099 0.000 2.947 32 T HA 0.293 4.643 4.350 -0.000 0.000 0.337 32 T C 0.025 174.811 174.700 0.144 0.000 1.139 32 T CA -0.101 62.083 62.100 0.140 0.000 0.992 32 T CB 0.525 69.482 68.868 0.149 0.000 1.043 32 T HN 0.743 nan 8.240 nan 0.000 0.498 33 T N 1.927 116.578 114.554 0.162 0.000 2.903 33 T HA 0.248 4.598 4.350 -0.000 0.000 0.314 33 T C 1.773 176.567 174.700 0.157 0.000 1.078 33 T CA 0.232 62.421 62.100 0.148 0.000 1.114 33 T CB 0.659 69.616 68.868 0.149 0.000 0.987 33 T HN 0.592 nan 8.240 nan 0.000 0.548 34 G N 2.529 111.398 108.800 0.114 0.000 2.422 34 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.218 34 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.218 34 G C 1.265 176.248 174.900 0.139 0.000 1.140 34 G CA 0.639 45.801 45.100 0.104 0.000 0.775 34 G HN 0.836 nan 8.290 nan 0.000 0.545 35 D N 0.291 120.781 120.400 0.151 0.000 2.097 35 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 35 D C 2.018 178.467 176.300 0.249 0.000 0.984 35 D CA 0.629 54.746 54.000 0.195 0.000 0.826 35 D CB -0.330 40.502 40.800 0.053 0.000 0.973 35 D HN 0.271 nan 8.370 nan 0.000 0.460 36 F N 2.393 122.379 119.950 0.060 0.000 2.126 36 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 36 F C 1.988 177.796 175.800 0.012 0.000 1.096 36 F CA 1.139 59.157 58.000 0.031 0.000 1.255 36 F CB -0.450 38.567 39.000 0.027 0.000 0.997 36 F HN -0.120 nan 8.300 nan 0.000 0.479 37 N N 0.532 119.237 118.700 0.008 0.000 2.104 37 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 37 N C 1.952 177.360 175.510 -0.169 0.000 1.024 37 N CA 1.492 54.480 53.050 -0.104 0.000 0.853 37 N CB -0.268 38.224 38.487 0.008 0.000 1.008 37 N HN 0.410 nan 8.380 nan 0.000 0.424 38 A N 1.553 124.317 122.820 -0.093 0.000 1.845 38 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 38 A C 2.258 179.640 177.584 -0.336 0.000 1.195 38 A CA 1.143 53.066 52.037 -0.189 0.000 0.616 38 A CB -1.054 17.855 19.000 -0.150 0.000 0.832 38 A HN 0.352 nan 8.150 nan 0.000 0.443 39 L N 0.406 121.451 121.223 -0.298 0.000 2.034 39 L HA -0.229 4.111 4.340 -0.000 0.000 0.217 39 L C 2.509 178.918 176.870 -0.768 0.000 1.077 39 L CA 2.814 57.343 54.840 -0.519 0.000 0.769 39 L CB -0.846 40.987 42.059 -0.376 0.000 0.890 39 L HN 0.339 nan 8.230 nan 0.000 0.435 40 S N -0.171 115.143 115.700 -0.643 0.000 2.359 40 S HA -0.237 4.233 4.470 -0.000 0.000 0.223 40 S C 1.723 176.175 174.600 -0.246 0.000 1.039 40 S CA 1.978 59.912 58.200 -0.443 0.000 1.042 40 S CB -0.806 62.110 63.200 -0.473 0.000 0.915 40 S HN 0.648 nan 8.310 nan 0.000 0.439 41 N N 0.401 118.955 118.700 -0.244 0.000 2.364 41 N HA 0.019 4.759 4.740 -0.000 0.000 0.183 41 N C 1.705 177.116 175.510 -0.166 0.000 1.022 41 N CA 0.864 53.815 53.050 -0.164 0.000 0.883 41 N CB -0.147 38.248 38.487 -0.154 0.000 0.965 41 N HN 0.376 nan 8.380 nan 0.000 0.438 42 M N -0.437 119.004 119.600 -0.264 0.000 2.236 42 M HA -0.044 4.436 4.480 -0.000 0.000 0.266 42 M C 1.372 177.623 176.300 -0.081 0.000 1.070 42 M CA 1.170 56.332 55.300 -0.229 0.000 1.137 42 M CB -0.106 32.285 32.600 -0.348 0.000 1.378 42 M HN 0.159 nan 8.290 nan 0.000 0.426 43 F N 0.161 120.037 119.950 -0.124 0.000 2.095 43 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 43 F C 2.527 178.281 175.800 -0.077 0.000 1.104 43 F CA 1.068 59.009 58.000 -0.099 0.000 1.232 43 F CB -0.517 38.417 39.000 -0.109 0.000 0.987 43 F HN 0.138 nan 8.300 nan 0.000 0.475 44 T N -0.821 113.804 114.554 0.118 0.000 2.674 44 T HA -0.227 4.123 4.350 -0.000 0.000 0.265 44 T C 1.814 176.520 174.700 0.009 0.000 1.039 44 T CA 1.055 63.177 62.100 0.037 0.000 1.150 44 T CB -0.380 68.487 68.868 -0.003 0.000 0.864 44 T HN 0.156 nan 8.240 nan 0.000 0.427 45 Q N 0.253 120.044 119.800 -0.015 0.000 2.443 45 Q HA -0.047 4.293 4.340 -0.000 0.000 0.213 45 Q C 2.061 178.053 176.000 -0.013 0.000 0.982 45 Q CA 0.735 56.518 55.803 -0.033 0.000 0.894 45 Q CB -0.301 28.399 28.738 -0.062 0.000 0.947 45 Q HN 0.381 nan 8.270 nan 0.000 0.480 46 L N -0.667 120.574 121.223 0.031 0.000 2.185 46 L HA 0.023 4.363 4.340 -0.000 0.000 0.198 46 L C 1.139 178.054 176.870 0.076 0.000 1.079 46 L CA 0.917 55.804 54.840 0.078 0.000 0.780 46 L CB -0.284 41.854 42.059 0.131 0.000 0.955 46 L HN 0.034 nan 8.230 nan 0.000 0.462 57 P HA 0.314 nan 4.420 nan 0.000 0.323 57 P C 0.880 177.903 177.300 -0.461 0.000 1.344 57 P CA -0.152 62.677 63.100 -0.451 0.000 1.189 57 P CB 1.205 32.470 31.700 -0.726 0.000 1.622 58 R N 0.754 121.098 120.500 -0.261 0.000 2.119 58 R HA 0.009 4.349 4.340 -0.000 0.000 0.222 58 R C 1.717 177.926 176.300 -0.152 0.000 1.088 58 R CA 0.962 56.939 56.100 -0.204 0.000 0.984 58 R CB -0.265 29.977 30.300 -0.096 0.000 0.884 58 R HN -0.129 nan 8.270 nan 0.000 0.447 59 V N 1.558 121.404 119.914 -0.113 0.000 2.255 59 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 59 V C -0.864 175.201 176.094 -0.049 0.000 1.051 59 V CA 1.807 64.072 62.300 -0.058 0.000 1.018 59 V CB -1.261 30.538 31.823 -0.039 0.000 0.641 59 V HN 0.317 nan 8.190 nan 0.000 0.445 60 P HA -0.100 nan 4.420 nan 0.000 0.214 60 P C 2.052 179.322 177.300 -0.050 0.000 1.162 60 P CA 1.102 64.174 63.100 -0.045 0.000 0.879 60 P CB -0.091 31.554 31.700 -0.092 0.000 0.786 61 L N -0.154 120.954 121.223 -0.191 0.000 2.051 61 L HA -0.243 4.097 4.340 -0.000 0.000 0.214 61 L C 2.508 179.371 176.870 -0.012 0.000 1.076 61 L CA 2.035 56.727 54.840 -0.247 0.000 0.758 61 L CB -1.668 39.950 42.059 -0.736 0.000 0.890 61 L HN 0.157 nan 8.230 nan 0.000 0.433 62 Q N -0.690 119.121 119.800 0.019 0.000 1.993 62 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 62 Q C 1.988 178.084 176.000 0.160 0.000 0.984 62 Q CA 2.682 58.565 55.803 0.133 0.000 0.837 62 Q CB -0.030 28.758 28.738 0.083 0.000 0.902 62 Q HN 0.414 nan 8.270 nan 0.000 0.423 63 T N 1.729 116.357 114.554 0.124 0.000 2.680 63 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 63 T C 1.673 176.489 174.700 0.194 0.000 1.033 63 T CA 1.699 63.897 62.100 0.164 0.000 1.152 63 T CB -0.332 68.636 68.868 0.167 0.000 0.859 63 T HN 0.357 nan 8.240 nan 0.000 0.452 64 M N 1.119 120.791 119.600 0.120 0.000 2.117 64 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 64 M C 2.347 178.734 176.300 0.144 0.000 1.065 64 M CA 1.604 56.864 55.300 -0.067 0.000 1.114 64 M CB -0.820 31.607 32.600 -0.288 0.000 1.361 64 M HN 0.171 nan 8.290 nan 0.000 0.408 65 S N 1.211 117.058 115.700 0.245 0.000 2.356 65 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 65 S C 1.457 176.280 174.600 0.372 0.000 1.032 65 S CA 1.506 59.911 58.200 0.342 0.000 1.005 65 S CB -0.410 63.031 63.200 0.401 0.000 0.867 65 S HN 0.515 nan 8.310 nan 0.000 0.449 66 N N 1.895 120.830 118.700 0.392 0.000 2.005 66 N HA -0.098 4.642 4.740 -0.000 0.000 0.199 66 N C 1.670 177.329 175.510 0.248 0.000 1.054 66 N CA 1.546 54.836 53.050 0.401 0.000 0.864 66 N CB -0.600 38.069 38.487 0.305 0.000 1.063 66 N HN 0.337 nan 8.380 nan 0.000 0.428 67 M N -0.679 119.057 119.600 0.226 0.000 2.255 67 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 67 M C 1.777 178.021 176.300 -0.093 0.000 1.071 67 M CA 1.216 56.617 55.300 0.169 0.000 1.074 67 M CB -0.318 32.504 32.600 0.370 0.000 1.384 67 M HN 0.151 nan 8.290 nan 0.000 0.415 68 F N 0.455 120.264 119.950 -0.235 0.000 2.128 68 F HA -0.130 4.397 4.527 -0.000 0.000 0.295 68 F C 1.986 177.666 175.800 -0.201 0.000 1.100 68 F CA 1.355 59.071 58.000 -0.472 0.000 1.260 68 F CB -0.478 38.433 39.000 -0.148 0.000 1.009 68 F HN -0.205 nan 8.300 nan 0.000 0.476 69 V N -0.178 119.604 119.914 -0.220 0.000 2.287 69 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 69 V C 2.706 178.650 176.094 -0.250 0.000 1.053 69 V CA 2.084 64.200 62.300 -0.307 0.000 1.027 69 V CB -1.439 30.130 31.823 -0.422 0.000 0.646 69 V HN 0.548 nan 8.190 nan 0.000 0.447 70 S N -0.533 115.100 115.700 -0.112 0.000 2.374 70 S HA -0.269 4.201 4.470 -0.000 0.000 0.227 70 S C 1.858 176.387 174.600 -0.118 0.000 1.037 70 S CA 2.367 60.535 58.200 -0.053 0.000 1.024 70 S CB -0.453 62.771 63.200 0.040 0.000 0.861 70 S HN 0.600 nan 8.310 nan 0.000 0.456 71 F N 1.553 121.271 119.950 -0.386 0.000 2.053 71 F HA 0.128 4.655 4.527 -0.000 0.000 0.292 71 F C 1.814 177.348 175.800 -0.444 0.000 1.125 71 F CA 1.339 59.103 58.000 -0.393 0.000 1.193 71 F CB -0.884 37.776 39.000 -0.566 0.000 0.996 71 F HN 0.251 nan 8.300 nan 0.000 0.470 72 I N 0.533 120.587 120.570 -0.860 0.000 3.010 72 I HA -0.191 3.979 4.170 -0.000 0.000 0.271 72 I C 1.846 177.541 176.117 -0.703 0.000 1.293 72 I CA 1.421 62.158 61.300 -0.939 0.000 1.452 72 I CB -0.964 36.456 38.000 -0.966 0.000 1.082 72 I HN 0.296 nan 8.210 nan 0.000 0.484 73 T N -1.118 113.108 114.554 -0.546 0.000 2.770 73 T HA -0.020 4.330 4.350 -0.000 0.000 0.258 73 T C 0.997 175.471 174.700 -0.376 0.000 1.039 73 T CA 1.048 62.891 62.100 -0.429 0.000 1.143 73 T CB -0.138 68.577 68.868 -0.256 0.000 0.866 73 T HN 0.360 nan 8.240 nan 0.000 0.428 74 S N 1.256 116.760 115.700 -0.326 0.000 2.448 74 S HA 0.131 4.601 4.470 -0.000 0.000 0.279 74 S C 1.229 175.652 174.600 -0.295 0.000 1.195 74 S CA -0.467 57.581 58.200 -0.253 0.000 1.051 74 S CB 0.553 63.656 63.200 -0.162 0.000 0.948 74 S HN 0.333 nan 8.310 nan 0.000 0.493 75 T N 4.294 118.696 114.554 -0.253 0.000 2.897 75 T HA -0.103 4.247 4.350 -0.000 0.000 0.271 75 T C 1.107 175.703 174.700 -0.173 0.000 1.084 75 T CA 1.301 63.260 62.100 -0.236 0.000 1.123 75 T CB -0.199 68.558 68.868 -0.185 0.000 0.865 75 T HN 0.642 nan 8.240 nan 0.000 0.496 76 D N 0.759 121.081 120.400 -0.130 0.000 2.149 76 D HA -0.017 4.623 4.640 -0.000 0.000 0.201 76 D C 2.384 178.662 176.300 -0.035 0.000 0.972 76 D CA 0.691 54.652 54.000 -0.065 0.000 0.835 76 D CB 0.036 40.811 40.800 -0.041 0.000 0.966 76 D HN 0.320 nan 8.370 nan 0.000 0.476 77 R N 0.777 121.230 120.500 -0.078 0.000 2.060 77 R HA -0.037 4.303 4.340 -0.000 0.000 0.225 77 R C 2.507 178.825 176.300 0.029 0.000 1.155 77 R CA 1.148 57.257 56.100 0.015 0.000 0.930 77 R CB -1.252 29.042 30.300 -0.010 0.000 0.829 77 R HN 0.306 nan 8.270 nan 0.000 0.433 78 C N 0.256 119.285 119.300 -0.450 0.000 2.509 78 C HA 0.325 4.785 4.460 -0.000 0.000 0.301 78 C C 2.226 177.033 174.990 -0.305 0.000 1.317 78 C CA -0.763 57.941 59.018 -0.523 0.000 1.667 78 C CB -1.580 25.410 27.740 -1.251 0.000 1.717 78 C HN 0.492 nan 8.230 nan 0.000 0.595 79 G N 1.744 110.475 108.800 -0.115 0.000 2.469 79 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 79 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 79 G C 1.254 176.122 174.900 -0.053 0.000 1.150 79 G CA 1.464 46.511 45.100 -0.088 0.000 0.763 79 G HN 0.857 nan 8.290 nan 0.000 0.561 80 Y N -0.078 120.197 120.300 -0.042 0.000 2.207 80 Y HA -0.013 4.537 4.550 -0.000 0.000 0.287 80 Y C 2.605 178.461 175.900 -0.072 0.000 1.156 80 Y CA 1.516 59.623 58.100 0.010 0.000 1.182 80 Y CB -0.373 38.144 38.460 0.095 0.000 0.979 80 Y HN 0.173 nan 8.280 nan 0.000 0.521 81 M N 0.342 119.228 119.600 -1.188 0.000 2.549 81 M HA -0.044 4.436 4.480 -0.000 0.000 0.260 81 M C 1.263 177.221 176.300 -0.569 0.000 1.076 81 M CA 1.233 55.640 55.300 -1.488 0.000 1.090 81 M CB -0.181 31.402 32.600 -1.696 0.000 1.418 81 M HN 0.390 nan 8.290 nan 0.000 0.486 82 L N -0.976 120.060 121.223 -0.312 0.000 2.567 82 L HA 0.123 4.463 4.340 -0.000 0.000 0.225 82 L C 0.835 177.704 176.870 -0.002 0.000 1.119 82 L CA -0.165 54.577 54.840 -0.164 0.000 0.871 82 L CB -0.214 41.716 42.059 -0.216 0.000 1.036 82 L HN 0.109 nan 8.230 nan 0.000 0.459 83 R N 1.214 121.775 120.500 0.101 0.000 2.490 83 R HA 0.037 4.377 4.340 -0.000 0.000 0.280 83 R C 1.198 177.622 176.300 0.208 0.000 1.077 83 R CA -0.211 55.956 56.100 0.112 0.000 1.065 83 R CB 0.962 31.340 30.300 0.130 0.000 1.003 83 R HN 0.025 nan 8.270 nan 0.000 0.470 84 K N 1.214 121.553 120.400 -0.102 0.000 2.293 84 K HA -0.222 4.098 4.320 -0.000 0.000 0.204 84 K C 1.568 178.241 176.600 0.123 0.000 1.045 84 K CA 2.014 58.145 56.287 -0.260 0.000 0.933 84 K CB 0.104 32.235 32.500 -0.614 0.000 0.736 84 K HN 0.528 nan 8.250 nan 0.000 0.463 85 T N -0.855 113.794 114.554 0.159 0.000 2.942 85 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 85 T C 1.196 176.054 174.700 0.263 0.000 1.062 85 T CA 0.869 63.080 62.100 0.185 0.000 1.139 85 T CB -0.260 68.699 68.868 0.151 0.000 0.883 85 T HN 0.584 nan 8.240 nan 0.000 0.468 86 W N 0.379 121.781 121.300 0.171 0.000 2.374 86 W HA 0.008 4.668 4.660 -0.000 0.000 0.288 86 W C 1.492 178.075 176.519 0.107 0.000 1.218 86 W CA 0.716 58.157 57.345 0.159 0.000 1.245 86 W CB -0.387 29.160 29.460 0.145 0.000 1.126 86 W HN 0.346 nan 8.180 nan 0.000 0.545 87 F N 0.696 120.662 119.950 0.026 0.000 2.473 87 F HA 0.056 4.583 4.527 -0.000 0.000 0.294 87 F C 2.022 177.737 175.800 -0.142 0.000 1.103 87 F CA 1.247 59.106 58.000 -0.234 0.000 1.442 87 F CB -0.474 38.361 39.000 -0.275 0.000 1.097 87 F HN -0.243 nan 8.300 nan 0.000 0.547 88 N N -0.432 118.301 118.700 0.056 0.000 2.333 88 N HA -0.030 4.710 4.740 -0.000 0.000 0.178 88 N C 0.314 175.766 175.510 -0.097 0.000 1.018 88 N CA 0.795 53.845 53.050 0.001 0.000 0.882 88 N CB 0.240 38.793 38.487 0.110 0.000 0.984 88 N HN 0.200 nan 8.380 nan 0.000 0.434 89 S N -0.523 115.114 115.700 -0.106 0.000 2.588 89 S HA 0.244 4.714 4.470 -0.000 0.000 0.275 89 S C -1.202 173.320 174.600 -0.131 0.000 1.130 89 S CA -0.717 57.423 58.200 -0.100 0.000 0.855 89 S CB 1.348 64.530 63.200 -0.029 0.000 1.116 89 S HN -0.043 nan 8.310 nan 0.000 0.472 90 D N 2.199 122.538 120.400 -0.101 0.000 2.519 90 D HA 0.127 4.767 4.640 -0.000 0.000 0.238 90 D C -0.380 175.905 176.300 -0.025 0.000 1.192 90 D CA 0.306 54.257 54.000 -0.083 0.000 0.835 90 D CB 0.043 40.801 40.800 -0.071 0.000 0.975 90 D HN 0.333 nan 8.370 nan 0.000 0.490 91 T N 1.308 115.862 114.554 -0.000 0.000 2.729 91 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 91 T C 0.549 175.295 174.700 0.076 0.000 0.928 91 T CA -0.530 61.592 62.100 0.036 0.000 1.045 91 T CB 1.043 69.939 68.868 0.046 0.000 0.902 91 T HN -0.031 nan 8.240 nan 0.000 0.500 92 K N 5.407 125.847 120.400 0.066 0.000 2.472 92 K HA 0.132 4.452 4.320 -0.000 0.000 0.280 92 K C -1.934 174.722 176.600 0.093 0.000 1.028 92 K CA -0.865 55.473 56.287 0.085 0.000 1.045 92 K CB 0.063 32.594 32.500 0.051 0.000 0.902 92 K HN 0.405 nan 8.250 nan 0.000 0.478 93 P HA 0.126 nan 4.420 nan 0.000 0.283 93 P C -0.868 176.433 177.300 0.002 0.000 1.271 93 P CA -0.691 62.463 63.100 0.089 0.000 0.841 93 P CB 1.137 32.935 31.700 0.164 0.000 1.122 94 T N 1.072 115.620 114.554 -0.009 0.000 2.794 94 T HA 0.431 4.781 4.350 -0.000 0.000 0.304 94 T C -0.049 174.605 174.700 -0.076 0.000 0.973 94 T CA -0.182 61.901 62.100 -0.028 0.000 0.972 94 T CB -0.507 68.361 68.868 -0.001 0.000 0.952 94 T HN 0.336 nan 8.240 nan 0.000 0.509 95 V N 0.653 120.500 119.914 -0.111 0.000 2.891 95 V HA 0.796 4.916 4.120 -0.000 0.000 0.304 95 V C -0.322 175.730 176.094 -0.070 0.000 1.171 95 V CA -1.265 60.954 62.300 -0.135 0.000 0.943 95 V CB 2.001 33.607 31.823 -0.363 0.000 1.037 95 V HN 0.674 nan 8.190 nan 0.000 0.427 96 S N 0.383 116.072 115.700 -0.019 0.000 2.542 96 S HA 0.675 5.145 4.470 -0.000 0.000 0.245 96 S C -1.012 173.618 174.600 0.048 0.000 1.325 96 S CA -0.357 57.846 58.200 0.006 0.000 1.176 96 S CB 0.729 63.932 63.200 0.006 0.000 1.045 96 S HN 1.033 nan 8.310 nan 0.000 0.481 97 D N 2.098 122.542 120.400 0.073 0.000 2.549 97 D HA 0.241 4.881 4.640 -0.000 0.000 0.251 97 D C 0.515 176.884 176.300 0.116 0.000 1.153 97 D CA -0.530 53.555 54.000 0.143 0.000 0.861 97 D CB 1.234 42.193 40.800 0.264 0.000 1.207 97 D HN 0.441 nan 8.370 nan 0.000 0.543 98 D N 3.147 123.613 120.400 0.110 0.000 2.408 98 D HA -0.176 4.464 4.640 -0.000 0.000 0.248 98 D C 0.867 177.248 176.300 0.135 0.000 1.122 98 D CA 0.143 54.192 54.000 0.081 0.000 0.964 98 D CB -0.239 40.603 40.800 0.070 0.000 0.884 98 D HN 0.400 nan 8.370 nan 0.000 0.524 99 F N 0.681 120.641 119.950 0.016 0.000 2.387 99 F HA 0.136 4.663 4.527 -0.000 0.000 0.278 99 F C 1.872 177.642 175.800 -0.050 0.000 1.010 99 F CA -0.041 57.979 58.000 0.032 0.000 1.236 99 F CB -0.330 38.622 39.000 -0.080 0.000 1.137 99 F HN -0.190 nan 8.300 nan 0.000 0.604 100 I N 1.286 121.729 120.570 -0.210 0.000 2.194 100 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 100 I C 2.351 178.292 176.117 -0.293 0.000 1.093 100 I CA 2.073 63.172 61.300 -0.334 0.000 1.355 100 I CB -1.378 36.583 38.000 -0.066 0.000 1.046 100 I HN 0.229 nan 8.210 nan 0.000 0.413 101 T N -0.478 113.971 114.554 -0.176 0.000 2.788 101 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 101 T C 1.819 176.375 174.700 -0.239 0.000 1.044 101 T CA 2.024 64.029 62.100 -0.159 0.000 1.139 101 T CB -0.332 68.481 68.868 -0.091 0.000 0.867 101 T HN 0.414 nan 8.240 nan 0.000 0.454 102 T N -0.173 114.182 114.554 -0.333 0.000 3.031 102 T HA 0.135 4.485 4.350 -0.000 0.000 0.254 102 T C 1.266 175.507 174.700 -0.765 0.000 1.060 102 T CA 0.595 62.379 62.100 -0.528 0.000 1.135 102 T CB -0.080 68.423 68.868 -0.608 0.000 0.896 102 T HN 0.473 nan 8.240 nan 0.000 0.472 103 Y N -0.239 119.759 120.300 -0.503 0.000 2.607 103 Y HA 0.431 4.981 4.550 -0.000 0.000 0.276 103 Y C 0.332 175.952 175.900 -0.466 0.000 1.117 103 Y CA -0.768 57.036 58.100 -0.493 0.000 1.273 103 Y CB 0.469 38.533 38.460 -0.661 0.000 1.282 103 Y HN 0.028 nan 8.280 nan 0.000 0.514 104 I N 2.872 123.149 120.570 -0.488 0.000 2.337 104 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 104 I C 0.054 176.014 176.117 -0.262 0.000 1.046 104 I CA -0.275 60.752 61.300 -0.456 0.000 1.324 104 I CB 0.306 37.821 38.000 -0.808 0.000 1.409 104 I HN 0.175 nan 8.210 nan 0.000 0.494 105 R N 4.983 125.386 120.500 -0.163 0.000 2.741 105 R HA 0.599 4.939 4.340 -0.000 0.000 0.276 105 R C -3.269 172.998 176.300 -0.055 0.000 1.028 105 R CA -1.794 54.248 56.100 -0.097 0.000 0.865 105 R CB 0.670 30.907 30.300 -0.104 0.000 1.268 105 R HN 0.061 nan 8.270 nan 0.000 0.475 106 P HA 0.185 nan 4.420 nan 0.000 0.271 106 P C -0.518 176.763 177.300 -0.031 0.000 1.216 106 P CA -0.418 62.671 63.100 -0.017 0.000 0.771 106 P CB 0.610 32.303 31.700 -0.013 0.000 0.864 107 R N 2.075 122.557 120.500 -0.030 0.000 2.556 107 R HA 0.279 4.619 4.340 -0.000 0.000 0.276 107 R C 0.363 176.628 176.300 -0.057 0.000 0.931 107 R CA -0.253 55.818 56.100 -0.049 0.000 1.061 107 R CB 0.115 30.382 30.300 -0.055 0.000 1.432 107 R HN 0.333 nan 8.270 nan 0.000 0.547 108 L N 2.099 123.294 121.223 -0.046 0.000 2.399 108 L HA 0.270 4.610 4.340 -0.000 0.000 0.266 108 L C 0.203 177.052 176.870 -0.036 0.000 1.114 108 L CA -0.452 54.357 54.840 -0.052 0.000 0.804 108 L CB 1.217 43.251 42.059 -0.041 0.000 1.146 108 L HN 0.018 nan 8.230 nan 0.000 0.451 109 Q N 1.766 121.543 119.800 -0.037 0.000 2.303 109 Q HA 0.370 4.710 4.340 -0.000 0.000 0.257 109 Q C -1.166 174.823 176.000 -0.018 0.000 0.941 109 Q CA -0.362 55.424 55.803 -0.029 0.000 0.931 109 Q CB 1.914 30.632 28.738 -0.034 0.000 1.215 109 Q HN 0.472 nan 8.270 nan 0.000 0.437 110 V N 6.074 125.979 119.914 -0.013 0.000 2.612 110 V HA 0.457 4.577 4.120 -0.000 0.000 0.301 110 V C -1.643 174.445 176.094 -0.010 0.000 1.046 110 V CA -1.472 60.823 62.300 -0.008 0.000 0.946 110 V CB 1.647 33.467 31.823 -0.005 0.000 1.003 110 V HN 0.958 nan 8.190 nan 0.000 0.459 111 P HA 0.008 nan 4.420 nan 0.000 0.239 111 P C 1.450 178.747 177.300 -0.005 0.000 1.188 111 P CA 0.331 63.428 63.100 -0.006 0.000 0.794 111 P CB 0.232 31.928 31.700 -0.007 0.000 0.937 112 M N 1.667 121.262 119.600 -0.009 0.000 2.270 112 M HA -0.256 4.224 4.480 -0.000 0.000 0.254 112 M C 2.314 178.611 176.300 -0.006 0.000 1.072 112 M CA 2.435 57.729 55.300 -0.009 0.000 1.077 112 M CB -1.458 31.134 32.600 -0.013 0.000 1.288 112 M HN -0.034 nan 8.290 nan 0.000 0.424 113 S N -0.922 114.774 115.700 -0.006 0.000 2.380 113 S HA -0.241 4.229 4.470 -0.000 0.000 0.229 113 S C 1.683 176.294 174.600 0.018 0.000 1.043 113 S CA 2.268 60.468 58.200 0.000 0.000 1.038 113 S CB -0.678 62.520 63.200 -0.004 0.000 0.872 113 S HN 0.732 nan 8.310 nan 0.000 0.456 114 D N -0.344 120.066 120.400 0.017 0.000 2.103 114 D HA -0.010 4.630 4.640 -0.000 0.000 0.199 114 D C 2.144 178.447 176.300 0.006 0.000 0.978 114 D CA 1.602 55.613 54.000 0.019 0.000 0.829 114 D CB -0.379 40.427 40.800 0.010 0.000 0.981 114 D HN 0.413 nan 8.370 nan 0.000 0.464 115 T N -0.281 114.272 114.554 -0.001 0.000 2.653 115 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 115 T C 2.078 176.772 174.700 -0.010 0.000 1.035 115 T CA 1.406 63.501 62.100 -0.008 0.000 1.154 115 T CB -0.508 68.355 68.868 -0.009 0.000 0.862 115 T HN -0.020 nan 8.240 nan 0.000 0.441 116 V N 1.498 121.409 119.914 -0.004 0.000 2.255 116 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 116 V C 2.610 178.702 176.094 -0.004 0.000 1.051 116 V CA 1.860 64.157 62.300 -0.004 0.000 1.018 116 V CB -0.690 31.134 31.823 0.002 0.000 0.641 116 V HN 0.382 nan 8.190 nan 0.000 0.445 117 R N -0.173 120.334 120.500 0.011 0.000 2.133 117 R HA -0.277 4.063 4.340 -0.000 0.000 0.247 117 R C 2.325 178.613 176.300 -0.020 0.000 1.151 117 R CA 2.317 58.428 56.100 0.017 0.000 0.971 117 R CB -0.141 30.185 30.300 0.043 0.000 0.866 117 R HN 0.684 nan 8.270 nan 0.000 0.447 118 Q N -0.201 119.579 119.800 -0.033 0.000 2.123 118 Q HA -0.023 4.317 4.340 -0.000 0.000 0.196 118 Q C 2.303 178.248 176.000 -0.091 0.000 0.958 118 Q CA 0.852 56.616 55.803 -0.065 0.000 0.841 118 Q CB -0.011 28.699 28.738 -0.048 0.000 0.915 118 Q HN 0.335 nan 8.270 nan 0.000 0.455 119 L N 1.368 122.554 121.223 -0.062 0.000 2.189 119 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 119 L C 2.237 179.060 176.870 -0.079 0.000 1.097 119 L CA 1.097 55.898 54.840 -0.064 0.000 0.764 119 L CB -0.521 41.515 42.059 -0.038 0.000 0.900 119 L HN 0.435 nan 8.230 nan 0.000 0.436 120 N N -0.018 118.642 118.700 -0.067 0.000 2.244 120 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 120 N C 1.437 176.884 175.510 -0.106 0.000 1.016 120 N CA 0.716 53.730 53.050 -0.060 0.000 0.866 120 N CB 0.149 38.621 38.487 -0.024 0.000 0.980 120 N HN 0.348 nan 8.380 nan 0.000 0.430 121 N N 0.839 119.434 118.700 -0.176 0.000 2.364 121 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 121 N C 1.181 176.433 175.510 -0.430 0.000 1.022 121 N CA 0.604 53.468 53.050 -0.310 0.000 0.883 121 N CB -0.065 38.152 38.487 -0.451 0.000 0.965 121 N HN 0.391 nan 8.380 nan 0.000 0.438 122 L N -0.012 121.019 121.223 -0.321 0.000 2.592 122 L HA 0.170 4.510 4.340 -0.000 0.000 0.227 122 L C 0.273 177.081 176.870 -0.103 0.000 1.127 122 L CA -0.050 54.651 54.840 -0.233 0.000 0.884 122 L CB -0.045 41.909 42.059 -0.175 0.000 1.065 122 L HN -0.113 nan 8.230 nan 0.000 0.457 123 S N 0.559 116.209 115.700 -0.084 0.000 2.560 123 S HA 0.107 4.577 4.470 -0.000 0.000 0.284 123 S C 1.450 176.039 174.600 -0.019 0.000 1.327 123 S CA -0.384 57.792 58.200 -0.040 0.000 1.055 123 S CB 1.231 64.414 63.200 -0.028 0.000 0.868 123 S HN 0.191 nan 8.310 nan 0.000 0.506 124 L N 2.210 123.428 121.223 -0.009 0.000 1.989 124 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 124 L C 1.009 177.881 176.870 0.004 0.000 1.071 124 L CA 1.494 56.333 54.840 -0.001 0.000 0.749 124 L CB -0.217 41.841 42.059 -0.002 0.000 0.890 124 L HN 0.651 nan 8.230 nan 0.000 0.431 125 Q N 0.514 120.317 119.800 0.005 0.000 2.700 125 Q HA 0.289 4.629 4.340 -0.000 0.000 0.249 125 Q C -2.105 173.904 176.000 0.015 0.000 1.033 125 Q CA -1.534 54.275 55.803 0.010 0.000 0.804 125 Q CB 1.071 29.814 28.738 0.008 0.000 1.164 125 Q HN 0.220 nan 8.270 nan 0.000 0.500 126 P HA 0.001 nan 4.420 nan 0.000 0.275 126 P C -0.029 177.295 177.300 0.039 0.000 1.270 126 P CA -0.342 62.775 63.100 0.028 0.000 0.791 126 P CB 0.854 32.573 31.700 0.032 0.000 1.089 127 S N -1.115 114.615 115.700 0.050 0.000 2.549 127 S HA 0.276 4.746 4.470 -0.000 0.000 0.283 127 S C 1.460 176.101 174.600 0.069 0.000 1.320 127 S CA 0.017 58.253 58.200 0.060 0.000 1.058 127 S CB -0.043 63.202 63.200 0.076 0.000 0.882 127 S HN 0.512 nan 8.310 nan 0.000 0.498 128 A N 5.214 128.071 122.820 0.063 0.000 1.969 128 A HA 0.120 4.439 4.320 -0.000 0.000 0.218 128 A C 0.879 178.517 177.584 0.090 0.000 1.169 128 A CA 1.032 53.110 52.037 0.068 0.000 0.635 128 A CB -0.047 18.985 19.000 0.053 0.000 0.810 128 A HN 0.784 nan 8.150 nan 0.000 0.445 129 K N 0.843 121.303 120.400 0.099 0.000 2.646 129 K HA 0.273 4.593 4.320 -0.000 0.000 0.210 129 K C -2.871 173.829 176.600 0.167 0.000 1.020 129 K CA -1.607 54.760 56.287 0.133 0.000 1.040 129 K CB 1.654 34.215 32.500 0.102 0.000 1.253 129 K HN 0.285 nan 8.250 nan 0.000 0.532 130 P HA -0.011 nan 4.420 nan 0.000 0.270 130 P C -0.506 176.962 177.300 0.279 0.000 1.227 130 P CA -0.090 63.128 63.100 0.196 0.000 0.788 130 P CB 0.981 32.778 31.700 0.161 0.000 0.926 131 K N 0.446 120.995 120.400 0.249 0.000 2.120 131 K HA 0.180 4.500 4.320 -0.000 0.000 0.245 131 K C 1.659 178.380 176.600 0.201 0.000 1.024 131 K CA -0.653 55.807 56.287 0.288 0.000 0.906 131 K CB 0.292 32.938 32.500 0.244 0.000 1.051 131 K HN 0.348 nan 8.250 nan 0.000 0.491 132 L N 0.737 122.006 121.223 0.077 0.000 2.046 132 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 132 L C 2.311 179.257 176.870 0.127 0.000 1.077 132 L CA 1.244 56.049 54.840 -0.058 0.000 0.747 132 L CB -0.452 41.488 42.059 -0.198 0.000 0.896 132 L HN 0.646 nan 8.230 nan 0.000 0.432 133 Y N 1.356 121.687 120.300 0.052 0.000 1.997 133 Y HA -0.441 4.109 4.550 -0.000 0.000 0.265 133 Y C 2.678 178.580 175.900 0.003 0.000 1.193 133 Y CA 2.386 60.517 58.100 0.052 0.000 1.106 133 Y CB -0.543 37.946 38.460 0.049 0.000 0.940 133 Y HN 0.266 nan 8.280 nan 0.000 0.494 134 E N -0.233 119.934 120.200 -0.055 0.000 2.147 134 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 134 E C 2.290 178.687 176.600 -0.340 0.000 1.005 134 E CA 1.722 57.997 56.400 -0.209 0.000 0.810 134 E CB -0.161 29.514 29.700 -0.041 0.000 0.736 134 E HN 0.552 nan 8.360 nan 0.000 0.460 135 R N -0.063 120.286 120.500 -0.252 0.000 2.062 135 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 135 R C 2.642 178.630 176.300 -0.520 0.000 1.128 135 R CA 1.559 57.389 56.100 -0.451 0.000 0.960 135 R CB -0.393 29.832 30.300 -0.125 0.000 0.855 135 R HN 0.335 nan 8.270 nan 0.000 0.432 136 Q N 0.625 120.300 119.800 -0.208 0.000 2.062 136 Q HA -0.200 4.140 4.340 -0.000 0.000 0.209 136 Q C 1.946 177.783 176.000 -0.271 0.000 0.996 136 Q CA 1.554 57.301 55.803 -0.095 0.000 0.859 136 Q CB -0.291 28.510 28.738 0.104 0.000 0.920 136 Q HN 0.347 nan 8.270 nan 0.000 0.415 137 N N 0.458 118.918 118.700 -0.400 0.000 2.036 137 N HA -0.183 4.557 4.740 -0.000 0.000 0.195 137 N C 1.795 177.085 175.510 -0.367 0.000 1.037 137 N CA 1.529 54.338 53.050 -0.401 0.000 0.855 137 N CB -0.449 37.742 38.487 -0.493 0.000 1.033 137 N HN 0.287 nan 8.380 nan 0.000 0.423 138 A N 1.583 124.114 122.820 -0.481 0.000 1.865 138 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 138 A C 2.398 179.758 177.584 -0.372 0.000 1.191 138 A CA 1.246 52.983 52.037 -0.501 0.000 0.623 138 A CB -0.807 17.606 19.000 -0.978 0.000 0.826 138 A HN 0.251 nan 8.150 nan 0.000 0.444 139 I N -1.423 118.876 120.570 -0.452 0.000 2.226 139 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 139 I C 2.753 178.839 176.117 -0.052 0.000 1.100 139 I CA 1.919 63.068 61.300 -0.251 0.000 1.374 139 I CB -0.237 37.511 38.000 -0.421 0.000 1.057 139 I HN 0.487 nan 8.210 nan 0.000 0.413 140 M N 0.627 120.149 119.600 -0.130 0.000 2.155 140 M HA -0.105 4.375 4.480 -0.000 0.000 0.258 140 M C 1.930 178.014 176.300 -0.361 0.000 1.092 140 M CA 1.771 56.909 55.300 -0.271 0.000 1.153 140 M CB 0.081 32.490 32.600 -0.318 0.000 1.316 140 M HN -0.082 nan 8.290 nan 0.000 0.431 141 K N -0.059 120.170 120.400 -0.286 0.000 2.426 141 K HA 0.192 4.512 4.320 -0.000 0.000 0.193 141 K C 0.556 177.060 176.600 -0.160 0.000 1.028 141 K CA 0.572 56.719 56.287 -0.233 0.000 1.047 141 K CB 0.191 32.568 32.500 -0.206 0.000 0.821 141 K HN 0.674 nan 8.250 nan 0.000 0.513 142 G N 2.110 110.819 108.800 -0.151 0.000 2.289 142 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.280 142 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.280 142 G C -0.099 174.745 174.900 -0.094 0.000 1.089 142 G CA -0.310 44.731 45.100 -0.098 0.000 0.939 142 G HN 0.019 nan 8.290 nan 0.000 0.499 143 L N -0.270 120.869 121.223 -0.139 0.000 2.479 143 L HA 0.541 4.881 4.340 -0.000 0.000 0.249 143 L C 0.832 177.650 176.870 -0.087 0.000 1.178 143 L CA -0.286 54.485 54.840 -0.115 0.000 0.811 143 L CB 0.461 42.426 42.059 -0.156 0.000 1.187 143 L HN 0.208 nan 8.230 nan 0.000 0.480 144 D N 0.242 120.617 120.400 -0.042 0.000 2.312 144 D HA 0.358 4.998 4.640 -0.000 0.000 0.248 144 D C -0.443 175.853 176.300 -0.006 0.000 1.086 144 D CA -0.178 53.834 54.000 0.020 0.000 0.948 144 D CB 2.095 42.954 40.800 0.098 0.000 1.162 144 D HN 0.276 nan 8.370 nan 0.000 0.446 145 I N 1.453 122.056 120.570 0.054 0.000 2.562 145 I HA 0.296 4.466 4.170 -0.000 0.000 0.301 145 I C -2.358 173.832 176.117 0.122 0.000 1.003 145 I CA -2.627 58.700 61.300 0.046 0.000 1.127 145 I CB 2.231 40.280 38.000 0.081 0.000 1.304 145 I HN 0.054 nan 8.210 nan 0.000 0.446 146 P HA -0.056 nan 4.420 nan 0.000 0.261 146 P C -0.157 177.272 177.300 0.215 0.000 1.173 146 P CA 0.597 63.738 63.100 0.069 0.000 0.760 146 P CB 0.156 31.877 31.700 0.035 0.000 0.783 147 Y N 0.240 120.549 120.300 0.014 0.000 2.274 147 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 147 Y C 2.277 178.183 175.900 0.010 0.000 1.145 147 Y CA 0.589 58.696 58.100 0.011 0.000 1.203 147 Y CB -0.089 38.375 38.460 0.005 0.000 0.984 147 Y HN 0.324 nan 8.280 nan 0.000 0.533 148 S N -0.281 115.518 115.700 0.164 0.000 2.577 148 S HA -0.003 4.467 4.470 -0.000 0.000 0.219 148 S C 0.294 174.936 174.600 0.069 0.000 0.962 148 S CA -0.343 57.911 58.200 0.090 0.000 0.921 148 S CB -0.234 63.001 63.200 0.058 0.000 0.789 148 S HN 0.329 nan 8.310 nan 0.000 0.497 149 E N 2.888 123.139 120.200 0.085 0.000 2.360 149 E HA 0.186 4.536 4.350 -0.000 0.000 0.269 149 E C -2.529 174.119 176.600 0.080 0.000 1.022 149 E CA -1.851 54.597 56.400 0.080 0.000 0.887 149 E CB 0.776 30.531 29.700 0.092 0.000 0.990 149 E HN 0.177 nan 8.360 nan 0.000 0.426 150 P HA 0.332 nan 4.420 nan 0.000 0.290 150 P C -1.146 176.211 177.300 0.096 0.000 1.283 150 P CA -0.583 62.570 63.100 0.087 0.000 0.869 150 P CB 1.176 32.922 31.700 0.076 0.000 1.100 151 I N -1.925 118.706 120.570 0.102 0.000 2.934 151 I HA 0.509 4.679 4.170 -0.000 0.000 0.306 151 I C -0.307 175.861 176.117 0.085 0.000 1.110 151 I CA -1.395 59.947 61.300 0.069 0.000 1.019 151 I CB 1.208 39.191 38.000 -0.029 0.000 1.227 151 I HN 0.191 nan 8.210 nan 0.000 0.434 152 E N 3.610 123.849 120.200 0.065 0.000 2.089 152 E HA 0.262 4.612 4.350 -0.000 0.000 0.284 152 E C -1.986 174.620 176.600 0.010 0.000 1.023 152 E CA -1.400 55.031 56.400 0.052 0.000 0.819 152 E CB 0.803 30.551 29.700 0.080 0.000 1.076 152 E HN 0.422 nan 8.360 nan 0.000 0.396 153 P HA -0.320 nan 4.420 nan 0.000 0.220 153 P C 1.432 178.806 177.300 0.123 0.000 1.155 153 P CA 1.408 64.478 63.100 -0.050 0.000 0.880 153 P CB -0.077 31.438 31.700 -0.309 0.000 0.790 154 C N -1.538 117.812 119.300 0.084 0.000 2.409 154 C HA -0.034 4.426 4.460 -0.000 0.000 0.288 154 C C 2.201 177.272 174.990 0.135 0.000 1.395 154 C CA 0.353 59.428 59.018 0.095 0.000 1.792 154 C CB -1.810 26.034 27.740 0.172 0.000 1.847 154 C HN 0.176 nan 8.230 nan 0.000 0.534 155 K N 0.126 120.622 120.400 0.160 0.000 2.137 155 K HA 0.134 4.454 4.320 -0.000 0.000 0.202 155 K C 2.004 178.803 176.600 0.333 0.000 1.052 155 K CA 0.521 56.946 56.287 0.230 0.000 0.961 155 K CB -0.215 32.423 32.500 0.230 0.000 0.741 155 K HN 0.339 nan 8.250 nan 0.000 0.452 156 L N 1.019 122.386 121.223 0.239 0.000 2.450 156 L HA -0.036 4.304 4.340 -0.000 0.000 0.224 156 L C 0.479 177.604 176.870 0.424 0.000 1.149 156 L CA 0.859 55.890 54.840 0.318 0.000 0.816 156 L CB -0.767 41.434 42.059 0.237 0.000 0.932 156 L HN 0.053 nan 8.230 nan 0.000 0.449 157 F N 1.029 120.967 119.950 -0.021 0.000 2.495 157 F HA 0.274 4.801 4.527 -0.000 0.000 0.365 157 F C 0.588 176.211 175.800 -0.295 0.000 1.090 157 F CA -0.167 57.510 58.000 -0.538 0.000 1.235 157 F CB 0.330 38.845 39.000 -0.809 0.000 1.119 157 F HN -0.120 nan 8.300 nan 0.000 0.562 158 R N 2.532 122.323 120.500 -1.181 0.000 2.837 158 R HA 0.438 4.778 4.340 -0.000 0.000 0.271 158 R C -0.774 174.831 176.300 -1.159 0.000 0.993 158 R CA -0.924 54.710 56.100 -0.776 0.000 0.931 158 R CB 1.860 32.009 30.300 -0.252 0.000 1.206 158 R HN 0.600 nan 8.270 nan 0.000 0.474 159 S N 0.173 115.506 115.700 -0.610 0.000 2.562 159 S HA 0.320 4.790 4.470 -0.000 0.000 0.281 159 S C -0.294 174.203 174.600 -0.172 0.000 1.333 159 S CA -0.519 57.466 58.200 -0.358 0.000 1.052 159 S CB 0.949 64.070 63.200 -0.133 0.000 0.884 159 S HN 0.320 nan 8.310 nan 0.000 0.506 160 V N 1.537 121.429 119.914 -0.037 0.000 3.145 160 V HA 0.715 4.835 4.120 -0.000 0.000 0.311 160 V C 0.997 177.129 176.094 0.063 0.000 1.238 160 V CA -0.039 62.290 62.300 0.050 0.000 1.066 160 V CB 1.383 33.294 31.823 0.147 0.000 1.144 160 V HN 0.919 nan 8.190 nan 0.000 0.465 161 A N 1.149 124.004 122.820 0.059 0.000 1.848 161 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 161 A C 2.135 179.762 177.584 0.072 0.000 1.220 161 A CA 2.728 54.796 52.037 0.052 0.000 0.645 161 A CB -1.728 17.296 19.000 0.041 0.000 0.842 161 A HN 1.634 nan 8.150 nan 0.000 0.451 162 G N -0.273 108.583 108.800 0.093 0.000 2.529 162 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.219 162 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.219 162 G C 0.844 175.819 174.900 0.125 0.000 1.177 162 G CA 1.276 46.443 45.100 0.111 0.000 0.773 162 G HN 0.941 nan 8.290 nan 0.000 0.573 163 Q N -1.628 118.270 119.800 0.163 0.000 2.394 163 Q HA 0.587 4.927 4.340 -0.000 0.000 0.273 163 Q C 0.223 176.321 176.000 0.164 0.000 1.089 163 Q CA -0.524 55.380 55.803 0.167 0.000 0.812 163 Q CB 1.809 30.677 28.738 0.216 0.000 1.353 163 Q HN -0.032 nan 8.270 nan 0.000 0.438 164 T N 1.092 115.723 114.554 0.127 0.000 2.668 164 T HA 0.047 4.397 4.350 -0.000 0.000 0.262 164 T C 0.716 175.521 174.700 0.175 0.000 1.045 164 T CA 1.456 63.620 62.100 0.108 0.000 1.152 164 T CB -0.252 68.660 68.868 0.073 0.000 0.864 164 T HN 0.747 nan 8.240 nan 0.000 0.419 165 G N -0.643 108.277 108.800 0.201 0.000 3.211 165 G HA2 0.488 4.448 3.960 -0.000 0.000 0.262 165 G HA3 0.488 4.448 3.960 -0.000 0.000 0.262 165 G C 0.283 175.245 174.900 0.103 0.000 1.352 165 G CA -0.293 44.975 45.100 0.279 0.000 1.004 165 G HN 0.222 nan 8.290 nan 0.000 0.559 166 N N -1.659 116.903 118.700 -0.228 0.000 2.638 166 N HA 0.065 4.805 4.740 -0.000 0.000 0.220 166 N C 2.062 177.507 175.510 -0.107 0.000 1.031 166 N CA 0.082 52.782 53.050 -0.583 0.000 1.062 166 N CB 0.102 37.847 38.487 -1.236 0.000 1.406 166 N HN 0.261 nan 8.380 nan 0.000 0.495 167 I N 2.632 123.154 120.570 -0.080 0.000 2.099 167 I HA -0.124 4.046 4.170 -0.000 0.000 0.239 167 I C -0.729 175.413 176.117 0.043 0.000 1.066 167 I CA 1.531 62.819 61.300 -0.019 0.000 1.324 167 I CB -2.280 35.628 38.000 -0.154 0.000 1.037 167 I HN 0.268 nan 8.210 nan 0.000 0.401 168 P HA -0.213 nan 4.420 nan 0.000 0.217 168 P C 1.733 179.052 177.300 0.032 0.000 1.148 168 P CA 1.510 64.623 63.100 0.021 0.000 0.834 168 P CB -0.250 31.462 31.700 0.021 0.000 0.783 169 M N -1.499 118.115 119.600 0.023 0.000 2.706 169 M HA -0.068 4.412 4.480 -0.000 0.000 0.251 169 M C 2.086 178.374 176.300 -0.021 0.000 1.070 169 M CA 0.839 56.134 55.300 -0.009 0.000 1.073 169 M CB -1.120 31.454 32.600 -0.043 0.000 1.449 169 M HN 0.079 nan 8.290 nan 0.000 0.531 170 M N -0.642 119.017 119.600 0.097 0.000 2.081 170 M HA -0.054 4.426 4.480 -0.000 0.000 0.261 170 M C 1.971 178.328 176.300 0.094 0.000 1.075 170 M CA 2.034 57.456 55.300 0.204 0.000 1.133 170 M CB -0.610 32.198 32.600 0.346 0.000 1.330 170 M HN 0.262 nan 8.290 nan 0.000 0.414 171 G N 0.661 109.498 108.800 0.061 0.000 2.499 171 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.221 171 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.221 171 G C 1.368 176.271 174.900 0.005 0.000 1.109 171 G CA 1.063 46.181 45.100 0.030 0.000 0.749 171 G HN 0.557 nan 8.290 nan 0.000 0.568 172 I N -0.211 120.352 120.570 -0.012 0.000 2.852 172 I HA 0.085 4.255 4.170 -0.000 0.000 0.264 172 I C 2.237 178.306 176.117 -0.080 0.000 1.179 172 I CA 0.282 61.557 61.300 -0.041 0.000 1.480 172 I CB 0.054 38.027 38.000 -0.044 0.000 1.111 172 I HN 0.122 nan 8.210 nan 0.000 0.441 173 L N 0.484 121.655 121.223 -0.087 0.000 2.395 173 L HA 0.020 4.360 4.340 -0.000 0.000 0.218 173 L C 2.454 179.286 176.870 -0.063 0.000 1.130 173 L CA 0.457 55.215 54.840 -0.136 0.000 0.826 173 L CB -0.339 41.632 42.059 -0.147 0.000 0.941 173 L HN 0.173 nan 8.230 nan 0.000 0.451 174 A N -1.094 121.716 122.820 -0.016 0.000 2.178 174 A HA 0.087 4.407 4.320 -0.000 0.000 0.211 174 A C 0.961 178.537 177.584 -0.013 0.000 1.157 174 A CA 0.298 52.337 52.037 0.004 0.000 0.780 174 A CB -0.205 18.811 19.000 0.028 0.000 0.828 174 A HN 0.229 nan 8.150 nan 0.000 0.476 175 T N 2.787 117.324 114.554 -0.029 0.000 2.744 175 T HA 0.450 4.800 4.350 -0.000 0.000 0.291 175 T C -2.643 172.033 174.700 -0.040 0.000 0.957 175 T CA -1.063 61.020 62.100 -0.028 0.000 1.002 175 T CB 1.149 70.001 68.868 -0.027 0.000 0.919 175 T HN 0.049 nan 8.240 nan 0.000 0.468 176 P HA 0.065 nan 4.420 nan 0.000 0.266 176 P C -2.155 175.122 177.300 -0.039 0.000 1.186 176 P CA -0.802 62.278 63.100 -0.033 0.000 0.767 176 P CB -0.183 31.504 31.700 -0.020 0.000 0.820 177 P HA 0.117 nan 4.420 nan 0.000 0.276 177 P C -0.365 176.920 177.300 -0.026 0.000 1.244 177 P CA -0.159 62.914 63.100 -0.044 0.000 0.801 177 P CB 1.136 32.805 31.700 -0.051 0.000 1.006 178 A N 1.518 124.325 122.820 -0.022 0.000 1.942 178 A HA 0.566 4.886 4.320 -0.000 0.000 0.209 178 A C 0.943 178.523 177.584 -0.007 0.000 1.214 178 A CA 1.232 53.262 52.037 -0.012 0.000 0.686 178 A CB -0.400 18.593 19.000 -0.011 0.000 0.871 178 A HN 0.801 nan 8.150 nan 0.000 0.460 179 A N -1.392 121.425 122.820 -0.006 0.000 2.601 179 A HA 0.536 4.856 4.320 -0.000 0.000 0.291 179 A C -0.595 176.992 177.584 0.005 0.000 1.075 179 A CA -0.340 51.699 52.037 0.003 0.000 0.671 179 A CB 0.088 19.093 19.000 0.007 0.000 1.277 179 A HN 0.235 nan 8.150 nan 0.000 0.417 180 Q N 1.153 120.965 119.800 0.020 0.000 2.413 180 Q HA -0.024 4.316 4.340 -0.000 0.000 0.298 180 Q C 0.214 176.229 176.000 0.026 0.000 1.186 180 Q CA 0.744 56.566 55.803 0.032 0.000 1.014 180 Q CB -0.044 28.731 28.738 0.061 0.000 1.130 180 Q HN 0.664 nan 8.270 nan 0.000 0.410 181 Q N 1.776 121.579 119.800 0.006 0.000 2.335 181 Q HA 0.130 4.470 4.340 -0.000 0.000 0.180 181 Q C -0.161 175.857 176.000 0.030 0.000 1.101 181 Q CA -0.288 55.517 55.803 0.003 0.000 1.165 181 Q CB 0.538 29.254 28.738 -0.036 0.000 1.220 181 Q HN 0.605 nan 8.270 nan 0.000 0.626 182 Q N 0.665 120.487 119.800 0.037 0.000 2.260 182 Q HA 0.333 4.673 4.340 -0.000 0.000 0.242 182 Q C -2.168 173.911 176.000 0.132 0.000 0.932 182 Q CA -1.714 54.131 55.803 0.070 0.000 0.891 182 Q CB 0.429 29.209 28.738 0.069 0.000 1.222 182 Q HN 0.348 nan 8.270 nan 0.000 0.453 183 P HA -0.028 nan 4.420 nan 0.000 0.267 183 P C -0.990 176.589 177.300 0.465 0.000 1.201 183 P CA 0.448 63.737 63.100 0.315 0.000 0.775 183 P CB 0.179 31.967 31.700 0.146 0.000 0.854 184 F N -0.033 120.066 119.950 0.248 0.000 2.578 184 F HA 0.727 5.254 4.527 -0.000 0.000 0.311 184 F C -1.573 174.413 175.800 0.309 0.000 1.094 184 F CA -1.218 56.910 58.000 0.214 0.000 0.923 184 F CB 1.439 40.469 39.000 0.051 0.000 1.230 184 F HN 0.070 nan 8.300 nan 0.000 0.450 185 F N 4.255 124.256 119.950 0.086 0.000 2.499 185 F HA 0.717 5.244 4.527 -0.000 0.000 0.333 185 F C -1.204 174.692 175.800 0.160 0.000 1.138 185 F CA -0.841 57.196 58.000 0.063 0.000 0.945 185 F CB 1.841 40.967 39.000 0.210 0.000 1.181 185 F HN 0.627 nan 8.300 nan 0.000 0.435 186 V N 3.851 123.785 119.914 0.032 0.000 3.130 186 V HA 0.957 5.077 4.120 -0.000 0.000 0.310 186 V C -1.455 174.738 176.094 0.165 0.000 1.158 186 V CA -0.558 61.774 62.300 0.054 0.000 1.029 186 V CB 2.185 33.859 31.823 -0.249 0.000 1.057 186 V HN 0.863 nan 8.190 nan 0.000 0.436 187 A N 3.109 126.060 122.820 0.217 0.000 2.449 187 A HA 0.869 5.189 4.320 -0.000 0.000 0.302 187 A C -0.720 176.978 177.584 0.189 0.000 1.048 187 A CA -0.606 51.548 52.037 0.196 0.000 0.708 187 A CB 1.807 20.944 19.000 0.229 0.000 1.274 187 A HN 0.844 nan 8.150 nan 0.000 0.410 188 E N -0.014 120.144 120.200 -0.069 0.000 2.819 188 E HA 0.409 4.759 4.350 -0.000 0.000 0.241 188 E C 0.740 177.196 176.600 -0.240 0.000 0.987 188 E CA -0.922 55.167 56.400 -0.517 0.000 1.024 188 E CB 0.817 30.049 29.700 -0.781 0.000 1.448 188 E HN 0.605 nan 8.360 nan 0.000 0.484 189 R N 0.357 120.677 120.500 -0.300 0.000 2.073 189 R HA 0.024 4.364 4.340 -0.000 0.000 0.229 189 R C 1.874 178.158 176.300 -0.028 0.000 1.120 189 R CA 1.057 57.117 56.100 -0.067 0.000 0.967 189 R CB 0.083 30.367 30.300 -0.027 0.000 0.862 189 R HN 0.220 nan 8.270 nan 0.000 0.436 190 R N 0.460 120.935 120.500 -0.042 0.000 2.509 190 R HA 0.101 4.441 4.340 -0.000 0.000 0.300 190 R C -0.624 175.780 176.300 0.173 0.000 0.985 190 R CA -0.064 56.087 56.100 0.083 0.000 1.092 190 R CB 0.458 30.800 30.300 0.071 0.000 1.237 190 R HN 0.081 nan 8.270 nan 0.000 0.546 191 R N -0.886 119.647 120.500 0.054 0.000 2.712 191 R HA 0.347 4.687 4.340 -0.000 0.000 0.272 191 R C -1.391 174.888 176.300 -0.034 0.000 1.032 191 R CA -0.946 55.231 56.100 0.128 0.000 0.874 191 R CB 0.755 31.117 30.300 0.104 0.000 1.256 191 R HN -0.162 nan 8.270 nan 0.000 0.468 192 I N 2.380 122.962 120.570 0.020 0.000 2.412 192 I HA 0.439 4.609 4.170 -0.000 0.000 0.296 192 I C -0.354 175.690 176.117 -0.121 0.000 0.987 192 I CA -0.954 60.318 61.300 -0.048 0.000 1.180 192 I CB 1.617 39.625 38.000 0.013 0.000 1.340 192 I HN 0.543 nan 8.210 nan 0.000 0.455 193 L N 7.154 128.239 121.223 -0.229 0.000 2.365 193 L HA 0.583 4.923 4.340 -0.000 0.000 0.273 193 L C -1.026 175.418 176.870 -0.710 0.000 1.000 193 L CA -0.755 53.855 54.840 -0.384 0.000 0.819 193 L CB 1.944 43.860 42.059 -0.237 0.000 1.284 193 L HN 0.531 nan 8.230 nan 0.000 0.418 194 F N 0.963 120.317 119.950 -0.993 0.000 2.650 194 F HA 0.926 5.453 4.527 -0.000 0.000 0.310 194 F C -0.347 174.908 175.800 -0.908 0.000 1.112 194 F CA -0.387 56.900 58.000 -1.189 0.000 0.986 194 F CB 1.624 39.850 39.000 -1.289 0.000 1.285 194 F HN 0.575 nan 8.300 nan 0.000 0.440 195 G N 2.067 110.483 108.800 -0.641 0.000 2.356 195 G HA2 0.507 4.467 3.960 -0.000 0.000 0.281 195 G HA3 0.507 4.467 3.960 -0.000 0.000 0.281 195 G C -2.278 172.768 174.900 0.243 0.000 1.246 195 G CA -0.667 44.222 45.100 -0.351 0.000 0.889 195 G HN 0.904 nan 8.290 nan 0.000 0.486 196 I N 1.646 122.016 120.570 -0.335 0.000 2.531 196 I HA 0.336 4.506 4.170 -0.000 0.000 0.283 196 I C 0.261 176.273 176.117 -0.175 0.000 1.083 196 I CA -0.869 60.385 61.300 -0.078 0.000 1.071 196 I CB 1.793 39.827 38.000 0.056 0.000 1.210 196 I HN 0.586 nan 8.210 nan 0.000 0.450 197 R N 3.510 123.883 120.500 -0.212 0.000 2.539 197 R HA 0.739 5.079 4.340 -0.000 0.000 0.275 197 R C -0.358 175.891 176.300 -0.086 0.000 1.077 197 R CA -0.422 55.561 56.100 -0.195 0.000 1.097 197 R CB 1.751 31.858 30.300 -0.322 0.000 1.018 197 R HN 0.558 nan 8.270 nan 0.000 0.483 198 S N 0.150 115.825 115.700 -0.042 0.000 2.552 198 S HA 0.119 4.589 4.470 -0.000 0.000 0.272 198 S C -0.530 174.067 174.600 -0.004 0.000 1.150 198 S CA -0.800 57.397 58.200 -0.005 0.000 0.849 198 S CB 1.273 64.498 63.200 0.040 0.000 1.113 198 S HN 0.854 nan 8.310 nan 0.000 0.458 199 N N 1.810 120.509 118.700 -0.001 0.000 2.280 199 N HA 0.328 5.068 4.740 -0.000 0.000 0.192 199 N C -0.079 175.436 175.510 0.008 0.000 1.109 199 N CA 0.290 53.340 53.050 -0.001 0.000 0.855 199 N CB 0.440 38.924 38.487 -0.005 0.000 0.974 199 N HN 0.689 nan 8.380 nan 0.000 0.482 200 A N -0.044 122.787 122.820 0.018 0.000 2.414 200 A HA 0.822 5.142 4.320 -0.000 0.000 0.306 200 A C -0.053 177.552 177.584 0.035 0.000 1.054 200 A CA -0.603 51.448 52.037 0.023 0.000 0.724 200 A CB 1.138 20.153 19.000 0.025 0.000 1.267 200 A HN 0.373 nan 8.150 nan 0.000 0.418 201 A N 1.335 124.173 122.820 0.030 0.000 2.583 201 A HA 0.430 4.750 4.320 -0.000 0.000 0.231 201 A C -0.076 177.542 177.584 0.056 0.000 1.065 201 A CA 0.615 52.672 52.037 0.033 0.000 0.760 201 A CB -0.337 18.675 19.000 0.020 0.000 1.001 201 A HN 0.799 nan 8.150 nan 0.000 0.509 202 I N 3.737 124.345 120.570 0.063 0.000 2.410 202 I HA 0.292 4.462 4.170 -0.000 0.000 0.286 202 I C -1.880 174.284 176.117 0.079 0.000 1.009 202 I CA -2.111 59.250 61.300 0.101 0.000 1.111 202 I CB 1.970 40.051 38.000 0.136 0.000 1.262 202 I HN 0.575 nan 8.210 nan 0.000 0.443 203 P HA -0.016 nan 4.420 nan 0.000 0.271 203 P C -0.703 176.682 177.300 0.142 0.000 1.228 203 P CA -0.239 62.931 63.100 0.117 0.000 0.797 203 P CB 0.754 32.530 31.700 0.127 0.000 0.914 204 A N 0.067 122.952 122.820 0.107 0.000 2.304 204 A HA 0.702 5.022 4.320 -0.000 0.000 0.323 204 A C 0.567 178.253 177.584 0.171 0.000 1.195 204 A CA 0.300 52.402 52.037 0.109 0.000 0.826 204 A CB 0.997 20.018 19.000 0.035 0.000 1.184 204 A HN 0.745 nan 8.150 nan 0.000 0.496 205 G N 0.292 109.252 108.800 0.267 0.000 3.178 205 G HA2 0.609 4.569 3.960 -0.000 0.000 0.134 205 G HA3 0.609 4.569 3.960 -0.000 0.000 0.134 205 G C -0.291 174.733 174.900 0.207 0.000 1.143 205 G CA 0.663 45.873 45.100 0.184 0.000 1.487 205 G HN 2.036 nan 8.290 nan 0.000 0.711 206 A N -0.756 122.158 122.820 0.157 0.000 2.459 206 A HA 0.756 5.076 4.320 -0.000 0.000 0.296 206 A C -2.170 175.421 177.584 0.011 0.000 1.039 206 A CA -0.394 51.739 52.037 0.161 0.000 0.698 206 A CB 1.183 20.212 19.000 0.049 0.000 1.261 206 A HN 0.791 nan 8.150 nan 0.000 0.405 207 Y N 0.939 121.341 120.300 0.171 0.000 2.327 207 Y HA 0.493 5.043 4.550 -0.000 0.000 0.325 207 Y C 0.157 176.206 175.900 0.249 0.000 0.999 207 Y CA -0.703 57.517 58.100 0.200 0.000 1.195 207 Y CB 2.135 40.793 38.460 0.330 0.000 1.132 207 Y HN 0.731 nan 8.280 nan 0.000 0.455 208 Q N 2.534 122.431 119.800 0.162 0.000 2.296 208 Q HA 0.428 4.768 4.340 -0.000 0.000 0.262 208 Q C -1.536 174.492 176.000 0.045 0.000 0.981 208 Q CA 0.350 56.235 55.803 0.138 0.000 0.905 208 Q CB 0.357 29.117 28.738 0.037 0.000 1.186 208 Q HN 0.484 nan 8.270 nan 0.000 0.399 209 F N 1.457 121.476 119.950 0.114 0.000 2.520 209 F HA 0.477 5.004 4.527 -0.000 0.000 0.322 209 F C -0.490 175.304 175.800 -0.010 0.000 1.103 209 F CA -0.946 57.110 58.000 0.093 0.000 0.926 209 F CB 1.542 40.594 39.000 0.086 0.000 1.154 209 F HN 0.143 nan 8.300 nan 0.000 0.453 210 V N 4.515 124.493 119.914 0.108 0.000 2.347 210 V HA 0.285 4.405 4.120 -0.000 0.000 0.280 210 V C -0.337 175.648 176.094 -0.181 0.000 1.021 210 V CA -0.958 61.325 62.300 -0.028 0.000 0.847 210 V CB 1.389 33.189 31.823 -0.038 0.000 0.990 210 V HN 0.483 nan 8.190 nan 0.000 0.444 211 V N 8.275 128.009 119.914 -0.300 0.000 2.485 211 V HA 0.114 4.234 4.120 -0.000 0.000 0.287 211 V C -1.648 174.079 176.094 -0.613 0.000 1.022 211 V CA -1.030 60.884 62.300 -0.643 0.000 1.067 211 V CB 0.180 31.726 31.823 -0.461 0.000 0.967 211 V HN 0.747 nan 8.190 nan 0.000 0.479 212 P HA 0.024 nan 4.420 nan 0.000 0.272 212 P C 0.774 177.759 177.300 -0.525 0.000 1.239 212 P CA 0.548 63.318 63.100 -0.549 0.000 0.807 212 P CB 0.512 31.881 31.700 -0.550 0.000 0.951 213 A N 1.309 123.959 122.820 -0.283 0.000 1.821 213 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 213 A C 2.055 179.500 177.584 -0.231 0.000 1.214 213 A CA 1.801 53.737 52.037 -0.168 0.000 0.608 213 A CB -2.073 16.925 19.000 -0.004 0.000 0.862 213 A HN 0.840 nan 8.150 nan 0.000 0.448 214 W N -0.230 121.035 121.300 -0.059 0.000 2.290 214 W HA -0.209 4.450 4.660 -0.000 0.000 0.311 214 W C 1.696 178.226 176.519 0.017 0.000 1.238 214 W CA 1.775 59.114 57.345 -0.009 0.000 1.255 214 W CB -1.386 28.062 29.460 -0.021 0.000 1.145 214 W HN 0.423 nan 8.180 nan 0.000 0.506 215 A N 0.975 123.047 122.820 -1.248 0.000 2.238 215 A HA 0.037 4.357 4.320 -0.000 0.000 0.208 215 A C 2.048 179.337 177.584 -0.491 0.000 1.177 215 A CA 1.171 52.602 52.037 -1.010 0.000 0.804 215 A CB -0.877 17.131 19.000 -1.653 0.000 0.823 215 A HN 0.375 nan 8.150 nan 0.000 0.482 216 S N -0.371 115.095 115.700 -0.391 0.000 2.603 216 S HA 0.050 4.520 4.470 -0.000 0.000 0.220 216 S C 1.188 175.721 174.600 -0.113 0.000 0.967 216 S CA 0.771 58.833 58.200 -0.229 0.000 0.920 216 S CB -0.521 62.555 63.200 -0.207 0.000 0.773 216 S HN 0.896 nan 8.310 nan 0.000 0.529 217 V N -1.846 118.019 119.914 -0.083 0.000 3.643 217 V HA 0.467 4.587 4.120 -0.000 0.000 0.280 217 V C 0.592 176.685 176.094 -0.003 0.000 1.351 217 V CA -0.449 61.834 62.300 -0.029 0.000 1.073 217 V CB -0.709 31.115 31.823 0.001 0.000 0.863 217 V HN 0.385 nan 8.190 nan 0.000 0.436 218 L N 1.570 122.800 121.223 0.011 0.000 2.464 218 L HA 0.546 4.886 4.340 -0.000 0.000 0.264 218 L C 0.366 177.295 176.870 0.099 0.000 1.199 218 L CA 0.615 55.512 54.840 0.095 0.000 0.818 218 L CB 1.180 43.331 42.059 0.153 0.000 1.102 218 L HN 0.344 nan 8.230 nan 0.000 0.473 219 S N 0.877 116.645 115.700 0.112 0.000 2.566 219 S HA 0.654 5.124 4.470 -0.000 0.000 0.273 219 S C -1.062 173.439 174.600 -0.165 0.000 1.157 219 S CA -0.653 57.535 58.200 -0.021 0.000 0.938 219 S CB 1.520 64.696 63.200 -0.041 0.000 1.087 219 S HN 0.301 nan 8.310 nan 0.000 0.474 220 V N 2.769 122.424 119.914 -0.432 0.000 2.680 220 V HA 0.891 5.011 4.120 -0.000 0.000 0.309 220 V C 0.074 175.834 176.094 -0.558 0.000 1.052 220 V CA -0.751 61.123 62.300 -0.709 0.000 0.908 220 V CB 1.415 32.572 31.823 -1.110 0.000 1.001 220 V HN 0.985 nan 8.190 nan 0.000 0.431 221 T N -1.260 113.026 114.554 -0.446 0.000 2.900 221 T HA 0.693 5.043 4.350 -0.000 0.000 0.295 221 T C 0.538 175.057 174.700 -0.302 0.000 1.044 221 T CA -0.136 61.782 62.100 -0.302 0.000 0.995 221 T CB 1.459 70.210 68.868 -0.194 0.000 1.072 221 T HN 2.265 nan 8.240 nan 0.000 0.473 222 G N 0.570 109.222 108.800 -0.247 0.000 2.359 222 G HA2 0.267 4.227 3.960 -0.000 0.000 0.298 222 G HA3 0.267 4.227 3.960 -0.000 0.000 0.298 222 G C 0.135 174.823 174.900 -0.354 0.000 1.030 222 G CA -0.056 44.882 45.100 -0.269 0.000 1.149 222 G HN 1.469 nan 8.290 nan 0.000 0.512 223 A N 0.273 122.898 122.820 -0.324 0.000 2.374 223 A HA 0.848 5.168 4.320 -0.000 0.000 0.317 223 A C -0.578 176.935 177.584 -0.120 0.000 1.094 223 A CA -0.827 51.052 52.037 -0.264 0.000 0.765 223 A CB 1.259 20.101 19.000 -0.262 0.000 1.268 223 A HN 0.611 nan 8.150 nan 0.000 0.438 224 Y N 0.939 121.300 120.300 0.102 0.000 2.331 224 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 224 Y C -0.135 175.878 175.900 0.189 0.000 0.992 224 Y CA -0.817 57.395 58.100 0.188 0.000 1.121 224 Y CB 2.109 40.720 38.460 0.251 0.000 1.184 224 Y HN 0.359 nan 8.280 nan 0.000 0.469 225 V N 5.629 125.743 119.914 0.332 0.000 2.350 225 V HA 0.332 4.452 4.120 -0.000 0.000 0.285 225 V C -0.939 175.171 176.094 0.028 0.000 1.014 225 V CA -0.842 61.513 62.300 0.091 0.000 0.831 225 V CB 0.153 32.101 31.823 0.208 0.000 1.000 225 V HN 0.668 nan 8.190 nan 0.000 0.433 226 Y N 2.270 122.524 120.300 -0.076 0.000 2.638 226 Y HA 0.792 5.342 4.550 -0.000 0.000 0.339 226 Y C -1.077 174.693 175.900 -0.217 0.000 1.084 226 Y CA -2.295 55.719 58.100 -0.144 0.000 1.068 226 Y CB 1.096 39.541 38.460 -0.025 0.000 1.294 226 Y HN 0.347 nan 8.280 nan 0.000 0.480 227 F N 1.260 121.327 119.950 0.194 0.000 2.420 227 F HA 0.540 5.067 4.527 -0.000 0.000 0.352 227 F C 0.788 176.711 175.800 0.205 0.000 1.108 227 F CA 0.205 58.266 58.000 0.100 0.000 1.162 227 F CB 1.542 40.591 39.000 0.082 0.000 1.118 227 F HN 0.760 nan 8.300 nan 0.000 0.510 228 T N 1.600 116.342 114.554 0.313 0.000 2.742 228 T HA 0.352 4.702 4.350 -0.000 0.000 0.282 228 T C -0.213 174.596 174.700 0.181 0.000 1.025 228 T CA -0.708 61.556 62.100 0.273 0.000 1.020 228 T CB 1.257 70.320 68.868 0.325 0.000 1.317 228 T HN 0.763 nan 8.240 nan 0.000 0.538 229 N N 0.464 119.256 118.700 0.154 0.000 2.301 229 N HA 0.169 4.909 4.740 -0.000 0.000 0.247 229 N C -0.684 174.905 175.510 0.131 0.000 1.347 229 N CA -0.509 52.614 53.050 0.122 0.000 0.844 229 N CB 0.878 39.418 38.487 0.088 0.000 1.332 229 N HN 0.323 nan 8.380 nan 0.000 0.494 230 S N 0.465 116.260 115.700 0.159 0.000 2.600 230 S HA 0.748 5.218 4.470 -0.000 0.000 0.300 230 S C -1.809 172.949 174.600 0.263 0.000 1.087 230 S CA -0.515 57.788 58.200 0.173 0.000 0.965 230 S CB 1.394 64.668 63.200 0.123 0.000 1.089 230 S HN 0.279 nan 8.310 nan 0.000 0.496 231 F N 3.763 123.765 119.950 0.087 0.000 2.915 231 F HA 0.501 5.028 4.527 -0.000 0.000 0.350 231 F C -0.697 175.225 175.800 0.204 0.000 1.248 231 F CA -1.010 57.056 58.000 0.110 0.000 1.084 231 F CB 0.184 39.274 39.000 0.151 0.000 1.391 231 F HN 0.763 nan 8.300 nan 0.000 0.548 232 F N 4.438 124.097 119.950 -0.486 0.000 3.084 232 F HA -0.134 4.393 4.527 -0.000 0.000 0.286 232 F C 1.341 177.019 175.800 -0.203 0.000 0.855 232 F CA 1.445 59.176 58.000 -0.448 0.000 1.091 232 F CB -0.908 37.652 39.000 -0.733 0.000 1.177 232 F HN 1.229 nan 8.300 nan 0.000 0.542 233 G N 0.231 109.040 108.800 0.016 0.000 2.149 233 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.235 233 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.235 233 G C -0.037 174.901 174.900 0.064 0.000 1.018 233 G CA 0.204 45.330 45.100 0.042 0.000 0.728 233 G HN 0.597 nan 8.290 nan 0.000 0.508 234 T N 0.831 115.443 114.554 0.098 0.000 2.893 234 T HA 0.581 4.931 4.350 -0.000 0.000 0.293 234 T C 0.398 175.180 174.700 0.137 0.000 1.027 234 T CA -0.680 61.489 62.100 0.115 0.000 0.988 234 T CB 1.474 70.427 68.868 0.141 0.000 1.043 234 T HN 0.203 nan 8.240 nan 0.000 0.461 235 I N 3.245 123.874 120.570 0.098 0.000 2.618 235 I HA 0.193 4.363 4.170 -0.000 0.000 0.284 235 I C 0.420 176.588 176.117 0.085 0.000 1.146 235 I CA -0.192 61.159 61.300 0.084 0.000 1.425 235 I CB -0.096 37.936 38.000 0.054 0.000 1.383 235 I HN 0.563 nan 8.210 nan 0.000 0.562 236 I N 5.590 126.209 120.570 0.082 0.000 2.331 236 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 236 I C 0.577 176.697 176.117 0.006 0.000 0.998 236 I CA -0.367 60.959 61.300 0.043 0.000 1.267 236 I CB 1.443 39.478 38.000 0.058 0.000 1.386 236 I HN 0.667 nan 8.210 nan 0.000 0.476 237 A N 4.205 127.009 122.820 -0.027 0.000 2.282 237 A HA 0.691 5.011 4.320 -0.000 0.000 0.319 237 A C 0.900 178.447 177.584 -0.062 0.000 1.121 237 A CA 0.142 52.159 52.037 -0.032 0.000 0.836 237 A CB 0.758 19.740 19.000 -0.029 0.000 1.146 237 A HN 1.118 nan 8.150 nan 0.000 0.494 238 G N -1.041 107.732 108.800 -0.045 0.000 2.198 238 G HA2 0.026 3.986 3.960 -0.000 0.000 0.257 238 G HA3 0.026 3.986 3.960 -0.000 0.000 0.257 238 G C -0.166 174.704 174.900 -0.051 0.000 1.042 238 G CA 0.314 45.382 45.100 -0.053 0.000 0.791 238 G HN 1.618 nan 8.290 nan 0.000 0.502 239 V N -0.113 119.786 119.914 -0.026 0.000 2.851 239 V HA 0.794 4.914 4.120 -0.000 0.000 0.307 239 V C 0.092 176.193 176.094 0.011 0.000 1.129 239 V CA -0.212 62.086 62.300 -0.003 0.000 0.932 239 V CB 2.350 34.175 31.823 0.003 0.000 1.024 239 V HN 0.983 nan 8.190 nan 0.000 0.426 240 T N 0.627 115.187 114.554 0.010 0.000 2.792 240 T HA 0.756 5.106 4.350 -0.000 0.000 0.280 240 T C -0.049 174.632 174.700 -0.032 0.000 0.990 240 T CA -0.168 61.925 62.100 -0.012 0.000 0.960 240 T CB 1.767 70.615 68.868 -0.033 0.000 0.939 240 T HN 1.120 nan 8.240 nan 0.000 0.439 241 A N 3.435 126.254 122.820 -0.001 0.000 3.245 241 A HA 0.597 4.917 4.320 -0.000 0.000 0.282 241 A C 0.455 178.029 177.584 -0.017 0.000 1.417 241 A CA -0.605 51.442 52.037 0.017 0.000 1.149 241 A CB -0.524 18.534 19.000 0.096 0.000 1.155 241 A HN 0.839 nan 8.150 nan 0.000 0.602 242 T N 0.460 114.967 114.554 -0.078 0.000 2.912 242 T HA 0.861 5.211 4.350 -0.000 0.000 0.288 242 T C -0.055 174.591 174.700 -0.090 0.000 1.030 242 T CA 0.228 62.291 62.100 -0.061 0.000 1.020 242 T CB 1.849 70.686 68.868 -0.051 0.000 1.056 242 T HN 1.285 nan 8.240 nan 0.000 0.480 243 A N 1.192 123.983 122.820 -0.048 0.000 2.456 243 A HA 0.805 5.125 4.320 -0.000 0.000 0.294 243 A C -1.183 176.392 177.584 -0.016 0.000 1.057 243 A CA -0.897 51.116 52.037 -0.041 0.000 0.623 243 A CB 0.987 19.971 19.000 -0.026 0.000 1.338 243 A HN 0.742 nan 8.150 nan 0.000 0.464 244 T N -0.110 114.439 114.554 -0.008 0.000 2.894 244 T HA 0.587 4.937 4.350 -0.000 0.000 0.309 244 T C 1.010 175.713 174.700 0.006 0.000 1.208 244 T CA 0.137 62.236 62.100 -0.002 0.000 1.016 244 T CB 1.643 70.507 68.868 -0.006 0.000 1.192 244 T HN 1.958 nan 8.240 nan 0.000 0.491 245 A N 0.869 123.694 122.820 0.007 0.000 2.204 245 A HA 0.064 4.384 4.320 -0.000 0.000 0.220 245 A C 2.141 179.731 177.584 0.010 0.000 1.165 245 A CA 2.106 54.149 52.037 0.010 0.000 0.671 245 A CB -0.777 18.227 19.000 0.007 0.000 0.792 245 A HN 0.950 nan 8.150 nan 0.000 0.473 246 A N -0.354 122.470 122.820 0.007 0.000 1.943 246 A HA 0.207 4.527 4.320 -0.000 0.000 0.213 246 A C 0.562 178.151 177.584 0.008 0.000 1.181 246 A CA 0.372 52.413 52.037 0.006 0.000 0.653 246 A CB -0.312 18.689 19.000 0.002 0.000 0.833 246 A HN 0.431 nan 8.150 nan 0.000 0.451 247 D N 0.791 121.194 120.400 0.006 0.000 2.622 247 D HA 0.298 4.938 4.640 -0.000 0.000 0.227 247 D C 0.414 176.724 176.300 0.018 0.000 1.159 247 D CA 1.199 55.203 54.000 0.006 0.000 0.865 247 D CB 0.383 41.185 40.800 0.003 0.000 1.207 247 D HN 0.484 nan 8.370 nan 0.000 0.492 248 A N 1.420 124.250 122.820 0.018 0.000 2.322 248 A HA 0.611 4.931 4.320 -0.000 0.000 0.269 248 A C 0.323 177.932 177.584 0.041 0.000 1.094 248 A CA -0.265 51.788 52.037 0.025 0.000 0.807 248 A CB 0.449 19.462 19.000 0.022 0.000 1.047 248 A HN 0.685 nan 8.150 nan 0.000 0.487 249 A N 1.103 123.949 122.820 0.043 0.000 2.561 249 A HA 0.442 4.762 4.320 -0.000 0.000 0.234 249 A C 0.502 178.129 177.584 0.072 0.000 1.055 249 A CA 0.730 52.800 52.037 0.055 0.000 0.756 249 A CB -0.420 18.603 19.000 0.039 0.000 0.986 249 A HN 0.851 nan 8.150 nan 0.000 0.505 250 T N 2.603 117.218 114.554 0.103 0.000 2.963 250 T HA 0.488 4.838 4.350 -0.000 0.000 0.343 250 T C 0.471 175.233 174.700 0.104 0.000 1.146 250 T CA 0.167 62.343 62.100 0.127 0.000 1.016 250 T CB 0.404 69.419 68.868 0.246 0.000 1.046 250 T HN 1.001 nan 8.240 nan 0.000 0.496 251 T N 0.750 115.356 114.554 0.086 0.000 2.910 251 T HA 0.880 5.230 4.350 -0.000 0.000 0.279 251 T C -0.516 174.280 174.700 0.160 0.000 0.989 251 T CA -0.814 61.319 62.100 0.054 0.000 0.968 251 T CB 1.082 69.942 68.868 -0.013 0.000 1.135 251 T HN 0.473 nan 8.240 nan 0.000 0.562 252 F N -1.436 118.494 119.950 -0.033 0.000 2.693 252 F HA 0.738 5.265 4.527 -0.000 0.000 0.309 252 F C -0.993 174.761 175.800 -0.076 0.000 1.129 252 F CA -0.760 57.217 58.000 -0.038 0.000 0.948 252 F CB 1.223 40.188 39.000 -0.058 0.000 1.315 252 F HN 0.991 nan 8.300 nan 0.000 0.447 253 T N -0.091 114.568 114.554 0.175 0.000 2.896 253 T HA 0.856 5.206 4.350 -0.000 0.000 0.297 253 T C -1.695 173.074 174.700 0.114 0.000 1.108 253 T CA -0.850 61.260 62.100 0.016 0.000 1.004 253 T CB 1.591 70.456 68.868 -0.005 0.000 1.159 253 T HN 0.875 nan 8.240 nan 0.000 0.499 254 V N 2.272 122.212 119.914 0.043 0.000 2.962 254 V HA 0.419 4.539 4.120 -0.000 0.000 0.313 254 V C -1.812 174.303 176.094 0.035 0.000 1.099 254 V CA -2.125 60.210 62.300 0.059 0.000 0.971 254 V CB 2.288 34.164 31.823 0.089 0.000 1.028 254 V HN 0.705 nan 8.190 nan 0.000 0.430 255 P HA -0.153 nan 4.420 nan 0.000 0.216 255 P C 1.758 179.069 177.300 0.019 0.000 1.150 255 P CA 1.974 65.086 63.100 0.019 0.000 0.837 255 P CB 0.057 31.765 31.700 0.013 0.000 0.786 256 T N -4.365 110.207 114.554 0.029 0.000 2.849 256 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 256 T C 0.700 175.416 174.700 0.026 0.000 1.066 256 T CA 1.062 63.179 62.100 0.029 0.000 1.130 256 T CB -0.592 68.303 68.868 0.046 0.000 0.864 256 T HN -0.036 nan 8.240 nan 0.000 0.481 257 D N -0.045 120.370 120.400 0.024 0.000 2.502 257 D HA 0.622 5.262 4.640 -0.000 0.000 0.249 257 D C 0.704 176.998 176.300 -0.011 0.000 1.092 257 D CA -0.208 53.797 54.000 0.007 0.000 0.839 257 D CB 1.939 42.745 40.800 0.009 0.000 1.264 257 D HN 0.157 nan 8.370 nan 0.000 0.511 258 A N 4.106 126.919 122.820 -0.012 0.000 2.119 258 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 258 A C 0.941 178.508 177.584 -0.028 0.000 1.153 258 A CA 0.675 52.703 52.037 -0.015 0.000 0.692 258 A CB -0.063 18.931 19.000 -0.010 0.000 0.799 258 A HN 0.564 nan 8.150 nan 0.000 0.458 259 N N 0.366 119.041 118.700 -0.043 0.000 2.502 259 N HA 0.174 4.914 4.740 -0.000 0.000 0.280 259 N C -1.057 174.388 175.510 -0.108 0.000 1.223 259 N CA -0.618 52.396 53.050 -0.061 0.000 0.966 259 N CB 0.441 38.896 38.487 -0.053 0.000 1.203 259 N HN 0.248 nan 8.380 nan 0.000 0.565 260 N N 0.980 119.609 118.700 -0.119 0.000 2.514 260 N HA 0.183 4.923 4.740 -0.000 0.000 0.277 260 N C -0.623 174.713 175.510 -0.290 0.000 1.126 260 N CA -0.131 52.807 53.050 -0.185 0.000 0.978 260 N CB 1.307 39.724 38.487 -0.115 0.000 1.106 260 N HN 0.279 nan 8.380 nan 0.000 0.461 261 L N 4.529 125.406 121.223 -0.576 0.000 2.264 261 L HA 0.354 4.694 4.340 -0.000 0.000 0.287 261 L C -1.966 174.535 176.870 -0.615 0.000 1.039 261 L CA -1.534 52.829 54.840 -0.796 0.000 0.829 261 L CB 1.126 42.131 42.059 -1.756 0.000 1.211 261 L HN 0.208 nan 8.230 nan 0.000 0.427 262 P HA 0.162 nan 4.420 nan 0.000 0.271 262 P C -0.526 176.803 177.300 0.048 0.000 1.218 262 P CA -0.197 62.867 63.100 -0.059 0.000 0.780 262 P CB 1.934 33.623 31.700 -0.018 0.000 0.901 263 V N 3.159 123.114 119.914 0.070 0.000 2.815 263 V HA 0.247 4.367 4.120 -0.000 0.000 0.314 263 V C 0.608 176.724 176.094 0.037 0.000 1.064 263 V CA -0.331 61.990 62.300 0.033 0.000 0.952 263 V CB 1.038 32.775 31.823 -0.142 0.000 1.020 263 V HN 0.645 nan 8.190 nan 0.000 0.439 264 Q N 1.038 120.868 119.800 0.050 0.000 2.493 264 Q HA -0.152 4.188 4.340 -0.000 0.000 0.278 264 Q C -0.089 175.964 176.000 0.090 0.000 1.216 264 Q CA 1.112 56.982 55.803 0.112 0.000 0.875 264 Q CB -1.442 27.403 28.738 0.179 0.000 1.262 264 Q HN 1.017 nan 8.270 nan 0.000 0.468 265 T N -1.326 113.286 114.554 0.097 0.000 2.912 265 T HA 0.329 4.679 4.350 -0.000 0.000 0.288 265 T C 0.347 175.101 174.700 0.089 0.000 1.030 265 T CA -0.618 61.530 62.100 0.081 0.000 1.020 265 T CB 1.373 70.294 68.868 0.088 0.000 1.056 265 T HN -0.010 nan 8.240 nan 0.000 0.480 266 D N 1.258 121.690 120.400 0.053 0.000 2.363 266 D HA 0.042 4.682 4.640 -0.000 0.000 0.226 266 D C 0.317 176.760 176.300 0.237 0.000 1.020 266 D CA 0.384 54.412 54.000 0.047 0.000 0.892 266 D CB 0.257 41.059 40.800 0.003 0.000 0.900 266 D HN 0.347 nan 8.370 nan 0.000 0.531 267 S N 0.603 116.424 115.700 0.201 0.000 2.564 267 S HA 0.211 4.681 4.470 -0.000 0.000 0.278 267 S C 0.580 175.308 174.600 0.214 0.000 1.333 267 S CA -0.392 57.914 58.200 0.177 0.000 1.048 267 S CB 1.454 64.715 63.200 0.101 0.000 0.900 267 S HN 0.077 nan 8.310 nan 0.000 0.505 268 R N 2.199 122.753 120.500 0.090 0.000 2.234 268 R HA 0.401 4.741 4.340 -0.000 0.000 0.324 268 R C -0.666 175.621 176.300 -0.022 0.000 1.054 268 R CA -0.193 55.867 56.100 -0.066 0.000 0.912 268 R CB 0.339 30.545 30.300 -0.157 0.000 1.030 268 R HN 0.501 nan 8.270 nan 0.000 0.455 269 L N 1.566 122.784 121.223 -0.007 0.000 2.330 269 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 269 L C -0.026 176.815 176.870 -0.048 0.000 1.013 269 L CA -0.724 54.154 54.840 0.062 0.000 0.816 269 L CB 2.123 44.334 42.059 0.253 0.000 1.287 269 L HN 0.651 nan 8.230 nan 0.000 0.435 270 S N 1.361 117.052 115.700 -0.014 0.000 2.737 270 S HA 0.686 5.156 4.470 -0.000 0.000 0.269 270 S C -0.843 173.750 174.600 -0.012 0.000 1.150 270 S CA -0.756 57.352 58.200 -0.155 0.000 1.077 270 S CB 0.661 63.786 63.200 -0.125 0.000 1.075 270 S HN 0.479 nan 8.310 nan 0.000 0.476 271 F N -0.470 119.475 119.950 -0.008 0.000 2.691 271 F HA 0.942 5.469 4.527 -0.000 0.000 0.334 271 F C -0.264 175.550 175.800 0.022 0.000 1.107 271 F CA -1.240 56.773 58.000 0.022 0.000 0.991 271 F CB 1.144 40.199 39.000 0.091 0.000 1.400 271 F HN 0.497 nan 8.300 nan 0.000 0.503 272 S N 0.209 116.109 115.700 0.334 0.000 2.557 272 S HA 0.544 5.014 4.470 -0.000 0.000 0.291 272 S C -0.573 174.162 174.600 0.225 0.000 1.116 272 S CA -0.769 57.541 58.200 0.183 0.000 0.992 272 S CB 1.059 64.303 63.200 0.072 0.000 1.028 272 S HN 0.770 nan 8.310 nan 0.000 0.484 273 L N 4.457 125.784 121.223 0.173 0.000 2.779 273 L HA 0.309 4.649 4.340 -0.000 0.000 0.239 273 L C 1.784 178.659 176.870 0.009 0.000 1.245 273 L CA -0.006 54.894 54.840 0.099 0.000 1.064 273 L CB -0.502 41.599 42.059 0.070 0.000 1.350 273 L HN 0.870 nan 8.230 nan 0.000 0.455 274 G N -0.611 108.199 108.800 0.018 0.000 3.042 274 G HA2 0.018 3.978 3.960 -0.000 0.000 0.212 274 G HA3 0.018 3.978 3.960 -0.000 0.000 0.212 274 G C 1.384 176.273 174.900 -0.019 0.000 1.166 274 G CA 0.493 45.583 45.100 -0.016 0.000 0.767 274 G HN 0.469 nan 8.290 nan 0.000 0.546 275 G N 0.074 108.872 108.800 -0.005 0.000 2.448 275 G HA2 0.309 4.269 3.960 -0.000 0.000 0.218 275 G HA3 0.309 4.269 3.960 -0.000 0.000 0.218 275 G C 1.376 176.260 174.900 -0.027 0.000 1.135 275 G CA 0.821 45.917 45.100 -0.007 0.000 0.784 275 G HN 1.328 nan 8.290 nan 0.000 0.543 276 G N -0.444 108.326 108.800 -0.050 0.000 2.232 276 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.226 276 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.226 276 G C 0.041 174.891 174.900 -0.083 0.000 0.996 276 G CA 0.504 45.556 45.100 -0.080 0.000 0.626 276 G HN 1.406 nan 8.290 nan 0.000 0.509 277 N N -0.781 117.891 118.700 -0.048 0.000 2.371 277 N HA 0.618 5.358 4.740 -0.000 0.000 0.280 277 N C -0.994 174.515 175.510 -0.002 0.000 1.084 277 N CA -0.995 52.040 53.050 -0.025 0.000 0.892 277 N CB 1.260 39.750 38.487 0.004 0.000 1.653 277 N HN 0.201 nan 8.380 nan 0.000 0.480 278 I N 1.051 121.620 120.570 -0.002 0.000 2.336 278 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 278 I C -0.324 175.870 176.117 0.128 0.000 0.991 278 I CA -0.740 60.544 61.300 -0.026 0.000 1.227 278 I CB 1.304 39.102 38.000 -0.338 0.000 1.366 278 I HN 0.619 nan 8.210 nan 0.000 0.466 279 N N 6.522 125.321 118.700 0.163 0.000 2.485 279 N HA 0.386 5.126 4.740 -0.000 0.000 0.243 279 N C -1.243 174.435 175.510 0.279 0.000 0.987 279 N CA -0.475 52.706 53.050 0.219 0.000 0.940 279 N CB 0.823 39.400 38.487 0.149 0.000 1.122 279 N HN 0.416 nan 8.380 nan 0.000 0.509 280 L N 3.102 124.549 121.223 0.373 0.000 2.309 280 L HA 0.548 4.888 4.340 -0.000 0.000 0.282 280 L C -0.611 176.457 176.870 0.329 0.000 1.036 280 L CA -0.347 54.707 54.840 0.357 0.000 0.806 280 L CB 1.069 43.358 42.059 0.383 0.000 1.220 280 L HN 0.637 nan 8.230 nan 0.000 0.429 281 E N 5.381 125.720 120.200 0.231 0.000 2.283 281 E HA 0.403 4.753 4.350 -0.000 0.000 0.258 281 E C -1.528 175.137 176.600 0.108 0.000 0.893 281 E CA -0.685 55.835 56.400 0.200 0.000 0.798 281 E CB 1.076 30.879 29.700 0.170 0.000 1.242 281 E HN 0.598 nan 8.360 nan 0.000 0.414 282 L N 3.194 124.432 121.223 0.024 0.000 2.426 282 L HA 0.296 4.636 4.340 -0.000 0.000 0.271 282 L C 1.385 178.258 176.870 0.006 0.000 1.169 282 L CA 0.134 54.938 54.840 -0.060 0.000 0.836 282 L CB 0.698 42.581 42.059 -0.294 0.000 1.112 282 L HN 0.957 nan 8.230 nan 0.000 0.465 283 G N 2.580 111.387 108.800 0.012 0.000 2.796 283 G HA2 0.267 4.227 3.960 -0.000 0.000 0.210 283 G HA3 0.267 4.227 3.960 -0.000 0.000 0.210 283 G C 0.185 175.082 174.900 -0.004 0.000 1.146 283 G CA 0.177 45.289 45.100 0.019 0.000 0.779 283 G HN 0.332 nan 8.290 nan 0.000 0.535 284 V N 0.410 120.299 119.914 -0.042 0.000 2.777 284 V HA 0.661 4.781 4.120 -0.000 0.000 0.306 284 V C 0.164 176.201 176.094 -0.096 0.000 1.112 284 V CA -1.340 60.928 62.300 -0.054 0.000 0.917 284 V CB 1.392 33.181 31.823 -0.057 0.000 1.018 284 V HN 0.374 nan 8.190 nan 0.000 0.426 285 A N 4.805 127.587 122.820 -0.063 0.000 2.555 285 A HA 0.483 4.803 4.320 -0.000 0.000 0.233 285 A C 0.104 177.633 177.584 -0.091 0.000 1.060 285 A CA 0.484 52.480 52.037 -0.067 0.000 0.759 285 A CB 0.160 19.149 19.000 -0.018 0.000 0.995 285 A HN 0.791 nan 8.150 nan 0.000 0.506 286 K N 0.747 121.095 120.400 -0.087 0.000 2.464 286 K HA 0.349 4.669 4.320 -0.000 0.000 0.253 286 K C -0.709 175.895 176.600 0.008 0.000 0.933 286 K CA -0.593 55.652 56.287 -0.069 0.000 0.801 286 K CB 2.062 34.484 32.500 -0.130 0.000 1.271 286 K HN 0.552 nan 8.250 nan 0.000 0.430 287 T N 1.596 116.151 114.554 0.003 0.000 4.029 287 T HA 0.218 4.568 4.350 -0.000 0.000 0.226 287 T C 0.307 175.029 174.700 0.037 0.000 0.838 287 T CA 0.111 62.222 62.100 0.020 0.000 0.907 287 T CB -0.676 68.194 68.868 0.003 0.000 1.296 287 T HN 0.889 nan 8.240 nan 0.000 0.711 288 G N 2.251 111.106 108.800 0.093 0.000 3.355 288 G HA2 0.090 4.050 3.960 -0.000 0.000 0.686 288 G HA3 0.090 4.050 3.960 -0.000 0.000 0.686 288 G C -0.771 174.216 174.900 0.144 0.000 1.097 288 G CA -1.065 44.091 45.100 0.092 0.000 0.881 288 G HN 0.573 nan 8.290 nan 0.000 0.550 289 F N 0.279 120.235 119.950 0.008 0.000 2.565 289 F HA 0.815 5.342 4.527 -0.000 0.000 0.313 289 F C -0.118 175.753 175.800 0.118 0.000 1.091 289 F CA -1.584 56.431 58.000 0.025 0.000 0.915 289 F CB 1.771 40.761 39.000 -0.018 0.000 1.208 289 F HN 0.819 nan 8.300 nan 0.000 0.453 290 C N 5.245 124.617 119.300 0.120 0.000 2.383 290 C HA 0.810 5.270 4.460 -0.000 0.000 0.330 290 C C -0.704 174.228 174.990 -0.098 0.000 1.168 290 C CA -0.415 58.575 59.018 -0.046 0.000 1.374 290 C CB 0.175 27.976 27.740 0.102 0.000 2.014 290 C HN 0.843 nan 8.230 nan 0.000 0.439 291 V N 5.535 125.122 119.914 -0.546 0.000 2.567 291 V HA 0.786 4.906 4.120 -0.000 0.000 0.289 291 V C 0.711 176.354 176.094 -0.753 0.000 1.049 291 V CA -0.008 61.821 62.300 -0.785 0.000 0.969 291 V CB 1.388 32.418 31.823 -1.321 0.000 0.995 291 V HN 1.103 nan 8.190 nan 0.000 0.471 292 A N 5.189 127.638 122.820 -0.619 0.000 2.386 292 A HA 0.898 5.218 4.320 -0.000 0.000 0.311 292 A C -0.934 176.382 177.584 -0.446 0.000 1.068 292 A CA -0.593 51.128 52.037 -0.526 0.000 0.743 292 A CB 1.152 19.781 19.000 -0.619 0.000 1.258 292 A HN 0.741 nan 8.150 nan 0.000 0.429 293 I N 1.483 121.960 120.570 -0.156 0.000 2.410 293 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 293 I C -0.268 175.927 176.117 0.129 0.000 1.009 293 I CA -0.056 61.282 61.300 0.062 0.000 1.111 293 I CB 1.775 39.955 38.000 0.300 0.000 1.262 293 I HN 0.816 nan 8.210 nan 0.000 0.443 294 E N 5.539 125.796 120.200 0.094 0.000 2.216 294 E HA 0.719 5.069 4.350 -0.000 0.000 0.260 294 E C -0.589 176.031 176.600 0.033 0.000 0.880 294 E CA -0.420 56.076 56.400 0.161 0.000 0.765 294 E CB 1.738 31.598 29.700 0.266 0.000 1.174 294 E HN 0.816 nan 8.360 nan 0.000 0.417 295 G N 3.224 111.966 108.800 -0.095 0.000 2.529 295 G HA2 0.141 4.101 3.960 -0.000 0.000 0.238 295 G HA3 0.141 4.101 3.960 -0.000 0.000 0.238 295 G C -1.348 173.362 174.900 -0.316 0.000 1.207 295 G CA -0.700 44.234 45.100 -0.277 0.000 0.928 295 G HN 0.413 nan 8.290 nan 0.000 0.495 296 E N -0.193 119.764 120.200 -0.404 0.000 2.134 296 E HA 0.646 4.995 4.350 -0.000 0.000 0.278 296 E C -1.434 174.914 176.600 -0.420 0.000 0.959 296 E CA -0.417 55.826 56.400 -0.262 0.000 0.783 296 E CB 0.865 30.464 29.700 -0.168 0.000 1.095 296 E HN 0.206 nan 8.360 nan 0.000 0.399 297 F N 2.588 122.512 119.950 -0.043 0.000 2.411 297 F HA 0.380 4.907 4.527 -0.000 0.000 0.352 297 F C 0.692 176.477 175.800 -0.025 0.000 1.123 297 F CA -0.478 57.498 58.000 -0.040 0.000 1.044 297 F CB 1.651 40.643 39.000 -0.013 0.000 1.135 297 F HN 0.311 nan 8.300 nan 0.000 0.461 298 T N 1.357 115.986 114.554 0.126 0.000 2.930 298 T HA 0.723 5.073 4.350 -0.000 0.000 0.290 298 T C -0.580 174.166 174.700 0.076 0.000 1.052 298 T CA -0.828 61.320 62.100 0.081 0.000 1.017 298 T CB 1.535 70.425 68.868 0.037 0.000 1.137 298 T HN 0.375 nan 8.240 nan 0.000 0.511 299 I N 2.131 122.732 120.570 0.052 0.000 2.336 299 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 299 I C 0.532 176.647 176.117 -0.003 0.000 0.991 299 I CA -1.027 60.289 61.300 0.027 0.000 1.227 299 I CB 1.295 39.308 38.000 0.021 0.000 1.366 299 I HN 0.573 nan 8.210 nan 0.000 0.466 300 L N 5.050 126.254 121.223 -0.030 0.000 2.536 300 L HA -0.021 4.319 4.340 -0.000 0.000 0.294 300 L C 0.974 177.745 176.870 -0.166 0.000 1.257 300 L CA -0.034 54.751 54.840 -0.093 0.000 0.850 300 L CB 0.435 42.451 42.059 -0.071 0.000 1.105 300 L HN 0.725 nan 8.230 nan 0.000 0.517 301 A N 2.902 125.515 122.820 -0.346 0.000 2.531 301 A HA 0.062 4.382 4.320 -0.000 0.000 0.236 301 A C 0.909 178.354 177.584 -0.230 0.000 1.062 301 A CA 0.680 52.389 52.037 -0.547 0.000 0.760 301 A CB -0.361 18.096 19.000 -0.905 0.000 0.995 301 A HN 1.057 nan 8.150 nan 0.000 0.501 302 N N -0.150 118.480 118.700 -0.116 0.000 2.857 302 N HA -0.218 4.522 4.740 -0.000 0.000 0.242 302 N C 0.712 176.218 175.510 -0.006 0.000 0.983 302 N CA 1.314 54.349 53.050 -0.025 0.000 0.934 302 N CB -0.544 37.924 38.487 -0.031 0.000 1.115 302 N HN 0.743 nan 8.380 nan 0.000 0.593 303 R N 0.285 120.779 120.500 -0.010 0.000 2.472 303 R HA 0.120 4.460 4.340 -0.000 0.000 0.279 303 R C 1.402 177.738 176.300 0.061 0.000 0.953 303 R CA 0.723 56.833 56.100 0.016 0.000 1.088 303 R CB 0.391 30.687 30.300 -0.006 0.000 1.197 303 R HN 0.326 nan 8.270 nan 0.000 0.536 304 S N 0.199 115.951 115.700 0.086 0.000 2.555 304 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 304 S C 1.583 176.323 174.600 0.232 0.000 0.978 304 S CA 0.332 58.634 58.200 0.169 0.000 0.934 304 S CB 0.143 63.460 63.200 0.195 0.000 0.766 304 S HN 0.151 nan 8.310 nan 0.000 0.533 305 Q N 2.175 122.061 119.800 0.143 0.000 2.016 305 Q HA 0.062 4.402 4.340 -0.000 0.000 0.200 305 Q C 2.578 178.659 176.000 0.135 0.000 0.978 305 Q CA 1.556 57.433 55.803 0.122 0.000 0.833 305 Q CB -1.385 27.394 28.738 0.068 0.000 0.895 305 Q HN 0.641 nan 8.270 nan 0.000 0.427 306 A N 1.284 124.175 122.820 0.118 0.000 1.882 306 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 306 A C 2.112 179.785 177.584 0.149 0.000 1.253 306 A CA 2.131 54.237 52.037 0.115 0.000 0.664 306 A CB -1.399 17.664 19.000 0.104 0.000 0.838 306 A HN 0.443 nan 8.150 nan 0.000 0.460 307 Y N -0.902 119.414 120.300 0.027 0.000 2.053 307 Y HA -0.289 4.261 4.550 -0.000 0.000 0.277 307 Y C 2.182 178.054 175.900 -0.046 0.000 1.159 307 Y CA 2.207 60.286 58.100 -0.035 0.000 1.125 307 Y CB -0.755 37.593 38.460 -0.185 0.000 0.969 307 Y HN 0.398 nan 8.280 nan 0.000 0.492 308 Y N -0.747 119.474 120.300 -0.131 0.000 2.578 308 Y HA -0.051 4.499 4.550 -0.000 0.000 0.297 308 Y C 2.026 177.820 175.900 -0.178 0.000 1.176 308 Y CA 1.129 58.963 58.100 -0.442 0.000 1.315 308 Y CB -0.098 38.087 38.460 -0.460 0.000 1.031 308 Y HN 0.100 nan 8.280 nan 0.000 0.524 309 T N -0.705 113.899 114.554 0.084 0.000 3.022 309 T HA 0.144 4.494 4.350 -0.000 0.000 0.250 309 T C 0.927 175.681 174.700 0.089 0.000 1.060 309 T CA 0.045 62.199 62.100 0.091 0.000 1.013 309 T CB 0.105 69.022 68.868 0.081 0.000 0.982 309 T HN 0.276 nan 8.240 nan 0.000 0.508 310 L N 0.891 122.163 121.223 0.080 0.000 4.560 310 L HA -0.232 4.108 4.340 -0.000 0.000 0.415 310 L C 1.229 178.125 176.870 0.042 0.000 1.123 310 L CA 0.322 55.193 54.840 0.051 0.000 0.991 310 L CB -1.751 40.335 42.059 0.046 0.000 2.127 310 L HN 0.271 nan 8.230 nan 0.000 0.765 311 N N 0.449 119.182 118.700 0.055 0.000 2.515 311 N HA -0.038 4.702 4.740 -0.000 0.000 0.185 311 N C 1.556 177.093 175.510 0.045 0.000 1.109 311 N CA 0.944 54.023 53.050 0.047 0.000 0.903 311 N CB 0.213 38.731 38.487 0.051 0.000 0.969 311 N HN 0.550 nan 8.380 nan 0.000 0.450 312 S N -0.890 114.844 115.700 0.056 0.000 2.603 312 S HA 0.156 4.626 4.470 -0.000 0.000 0.220 312 S C 0.635 175.257 174.600 0.037 0.000 0.967 312 S CA -0.274 57.966 58.200 0.066 0.000 0.920 312 S CB -0.287 62.986 63.200 0.122 0.000 0.773 312 S HN 0.179 nan 8.310 nan 0.000 0.529 313 I N 2.390 122.968 120.570 0.014 0.000 2.416 313 I HA 0.181 4.351 4.170 -0.000 0.000 0.288 313 I C 0.819 176.931 176.117 -0.008 0.000 1.051 313 I CA -0.222 61.070 61.300 -0.014 0.000 1.375 313 I CB 1.439 39.425 38.000 -0.024 0.000 1.407 313 I HN 0.169 nan 8.210 nan 0.000 0.516 314 T N 3.420 117.965 114.554 -0.016 0.000 3.098 314 T HA 0.092 4.442 4.350 -0.000 0.000 0.246 314 T C 0.745 175.439 174.700 -0.011 0.000 0.983 314 T CA -0.114 61.982 62.100 -0.007 0.000 1.094 314 T CB 0.318 69.186 68.868 -0.000 0.000 1.035 314 T HN 0.445 nan 8.240 nan 0.000 0.456 315 Q N 1.683 121.471 119.800 -0.020 0.000 2.185 315 Q HA 0.602 4.942 4.340 -0.000 0.000 0.225 315 Q C -0.734 175.253 176.000 -0.022 0.000 0.983 315 Q CA 0.119 55.912 55.803 -0.016 0.000 0.950 315 Q CB 0.645 29.375 28.738 -0.014 0.000 1.176 315 Q HN 0.183 nan 8.270 nan 0.000 0.510 316 T N 1.806 116.350 114.554 -0.016 0.000 3.071 316 T HA 0.431 4.781 4.350 -0.000 0.000 0.311 316 T C -2.120 172.571 174.700 -0.015 0.000 1.042 316 T CA -0.899 61.189 62.100 -0.019 0.000 1.028 316 T CB 1.606 70.463 68.868 -0.018 0.000 1.068 316 T HN 0.480 nan 8.240 nan 0.000 0.451 317 P HA 0.610 nan 4.420 nan 0.000 0.286 317 P C -0.516 176.769 177.300 -0.026 0.000 1.293 317 P CA -0.239 62.847 63.100 -0.023 0.000 0.770 317 P CB 0.898 32.586 31.700 -0.020 0.000 1.206 318 T N -2.011 112.523 114.554 -0.035 0.000 2.787 318 T HA 0.411 4.761 4.350 -0.000 0.000 0.297 318 T C -0.849 173.824 174.700 -0.045 0.000 1.221 318 T CA -0.498 61.571 62.100 -0.050 0.000 1.006 318 T CB 0.778 69.601 68.868 -0.075 0.000 1.328 318 T HN 0.359 nan 8.240 nan 0.000 0.509 319 S N 1.258 116.921 115.700 -0.062 0.000 2.554 319 S HA 0.765 5.235 4.470 -0.000 0.000 0.278 319 S C -0.719 173.851 174.600 -0.051 0.000 1.242 319 S CA -0.607 57.584 58.200 -0.015 0.000 1.051 319 S CB 0.458 63.713 63.200 0.091 0.000 0.986 319 S HN 0.603 nan 8.310 nan 0.000 0.502 320 I N 2.897 123.452 120.570 -0.025 0.000 2.710 320 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 320 I C -1.184 174.911 176.117 -0.036 0.000 1.318 320 I CA -0.631 60.631 61.300 -0.063 0.000 1.045 320 I CB 1.590 39.530 38.000 -0.100 0.000 1.307 320 I HN 0.726 nan 8.210 nan 0.000 0.424 321 D N 5.418 125.788 120.400 -0.050 0.000 2.447 321 D HA 0.076 4.716 4.640 -0.000 0.000 0.265 321 D C -0.260 176.005 176.300 -0.059 0.000 1.250 321 D CA -0.183 53.826 54.000 0.015 0.000 1.046 321 D CB 1.052 41.929 40.800 0.129 0.000 1.095 321 D HN 0.601 nan 8.370 nan 0.000 0.555 322 D N -1.514 118.938 120.400 0.087 0.000 2.424 322 D HA 0.020 4.660 4.640 -0.000 0.000 0.220 322 D C 0.341 176.843 176.300 0.336 0.000 1.150 322 D CA -0.741 53.360 54.000 0.168 0.000 0.831 322 D CB -1.038 39.911 40.800 0.249 0.000 0.981 322 D HN 0.576 nan 8.370 nan 0.000 0.500 323 F N 1.227 121.355 119.950 0.296 0.000 3.093 323 F HA -0.310 4.217 4.527 -0.000 0.000 0.287 323 F C -0.098 175.979 175.800 0.461 0.000 0.882 323 F CA 0.419 58.631 58.000 0.353 0.000 1.063 323 F CB -1.533 37.630 39.000 0.273 0.000 1.097 323 F HN 0.062 nan 8.300 nan 0.000 0.604 324 D N -2.694 118.025 120.400 0.532 0.000 3.046 324 D HA -0.211 4.429 4.640 -0.000 0.000 0.210 324 D C 1.219 177.794 176.300 0.458 0.000 1.124 324 D CA 0.947 55.224 54.000 0.462 0.000 0.986 324 D CB -1.406 39.703 40.800 0.515 0.000 1.118 324 D HN 0.362 nan 8.370 nan 0.000 0.416 325 V N 1.325 121.436 119.914 0.327 0.000 2.252 325 V HA -0.362 3.758 4.120 -0.000 0.000 0.249 325 V C 2.744 178.970 176.094 0.221 0.000 1.056 325 V CA 2.738 65.106 62.300 0.113 0.000 1.022 325 V CB -0.833 30.839 31.823 -0.253 0.000 0.641 325 V HN 0.540 nan 8.190 nan 0.000 0.445 326 S N 0.572 116.382 115.700 0.184 0.000 2.399 326 S HA -0.382 4.088 4.470 -0.000 0.000 0.235 326 S C 1.600 176.281 174.600 0.136 0.000 1.063 326 S CA 2.110 60.396 58.200 0.144 0.000 1.070 326 S CB -0.929 62.353 63.200 0.137 0.000 0.904 326 S HN 0.667 nan 8.310 nan 0.000 0.456 327 D N 0.645 121.159 120.400 0.191 0.000 2.263 327 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 327 D C 1.239 177.521 176.300 -0.030 0.000 0.971 327 D CA 0.940 54.981 54.000 0.069 0.000 0.867 327 D CB -0.293 40.531 40.800 0.040 0.000 0.929 327 D HN 0.545 nan 8.370 nan 0.000 0.492 328 F N -0.055 119.917 119.950 0.036 0.000 2.656 328 F HA 0.189 4.716 4.527 -0.000 0.000 0.291 328 F C 2.203 178.020 175.800 0.028 0.000 1.122 328 F CA -0.001 58.018 58.000 0.031 0.000 1.427 328 F CB -0.249 38.771 39.000 0.034 0.000 1.125 328 F HN -0.148 nan 8.300 nan 0.000 0.583 329 L N -0.645 120.698 121.223 0.201 0.000 2.217 329 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 329 L C 2.240 179.147 176.870 0.061 0.000 1.107 329 L CA 1.035 55.967 54.840 0.153 0.000 0.783 329 L CB -1.220 40.882 42.059 0.072 0.000 0.919 329 L HN 0.095 nan 8.230 nan 0.000 0.442 330 T N -0.552 113.992 114.554 -0.016 0.000 2.624 330 T HA -0.302 4.048 4.350 -0.000 0.000 0.266 330 T C 1.860 176.530 174.700 -0.049 0.000 1.050 330 T CA 2.345 64.398 62.100 -0.078 0.000 1.163 330 T CB -0.575 68.247 68.868 -0.076 0.000 0.861 330 T HN 0.399 nan 8.240 nan 0.000 0.443 331 T N 1.791 116.347 114.554 0.004 0.000 2.622 331 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 331 T C 1.523 176.266 174.700 0.073 0.000 1.047 331 T CA 1.355 63.466 62.100 0.018 0.000 1.159 331 T CB -0.634 68.242 68.868 0.012 0.000 0.863 331 T HN 0.324 nan 8.240 nan 0.000 0.422 332 F N 2.199 122.131 119.950 -0.029 0.000 2.043 332 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 332 F C 2.030 177.836 175.800 0.010 0.000 1.121 332 F CA 1.066 59.069 58.000 0.005 0.000 1.199 332 F CB -0.978 38.054 39.000 0.053 0.000 0.968 332 F HN 0.062 nan 8.300 nan 0.000 0.478 333 L N -0.412 120.688 121.223 -0.204 0.000 1.978 333 L HA -0.342 3.998 4.340 -0.000 0.000 0.218 333 L C 2.534 179.244 176.870 -0.266 0.000 1.075 333 L CA 1.965 56.608 54.840 -0.329 0.000 0.767 333 L CB -1.390 40.441 42.059 -0.381 0.000 0.890 333 L HN 0.099 nan 8.230 nan 0.000 0.434 334 S N -1.016 114.570 115.700 -0.190 0.000 2.420 334 S HA -0.208 4.262 4.470 -0.000 0.000 0.237 334 S C 1.911 176.448 174.600 -0.104 0.000 1.023 334 S CA 1.142 59.255 58.200 -0.144 0.000 0.991 334 S CB -0.181 62.959 63.200 -0.102 0.000 0.792 334 S HN 0.404 nan 8.310 nan 0.000 0.488 335 Q N 0.073 119.821 119.800 -0.087 0.000 2.398 335 Q HA 0.226 4.566 4.340 -0.000 0.000 0.204 335 Q C 2.009 177.983 176.000 -0.044 0.000 0.932 335 Q CA 0.338 56.125 55.803 -0.027 0.000 0.916 335 Q CB -0.104 28.681 28.738 0.078 0.000 1.024 335 Q HN 0.507 nan 8.270 nan 0.000 0.504 336 L N 0.057 121.189 121.223 -0.152 0.000 2.049 336 L HA -0.088 4.252 4.340 -0.000 0.000 0.203 336 L C 2.372 179.243 176.870 0.002 0.000 1.074 336 L CA 0.818 55.607 54.840 -0.085 0.000 0.749 336 L CB -0.241 41.697 42.059 -0.202 0.000 0.907 336 L HN 0.114 nan 8.230 nan 0.000 0.439 337 R N 0.270 120.731 120.500 -0.066 0.000 2.159 337 R HA -0.133 4.207 4.340 -0.000 0.000 0.237 337 R C 1.956 178.231 176.300 -0.042 0.000 1.131 337 R CA 1.320 57.373 56.100 -0.078 0.000 0.982 337 R CB -0.550 29.633 30.300 -0.195 0.000 0.868 337 R HN 0.313 nan 8.270 nan 0.000 0.453 338 A N -0.124 122.669 122.820 -0.046 0.000 2.235 338 A HA -0.012 4.308 4.320 -0.000 0.000 0.208 338 A C 1.729 179.295 177.584 -0.029 0.000 1.172 338 A CA 0.453 52.468 52.037 -0.037 0.000 0.786 338 A CB -0.082 18.894 19.000 -0.040 0.000 0.804 338 A HN 0.373 nan 8.150 nan 0.000 0.479 339 C N -3.042 116.248 119.300 -0.016 0.000 3.364 339 C HA 0.507 4.967 4.460 -0.000 0.000 0.340 339 C C 2.091 177.099 174.990 0.030 0.000 1.336 339 C CA 0.127 59.134 59.018 -0.019 0.000 1.778 339 C CB -0.087 27.615 27.740 -0.063 0.000 2.398 339 C HN 0.950 nan 8.230 nan 0.000 0.667 340 G N 0.708 109.546 108.800 0.063 0.000 2.253 340 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.251 340 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.251 340 G C 0.743 175.729 174.900 0.143 0.000 0.998 340 G CA 0.497 45.654 45.100 0.095 0.000 0.621 340 G HN 0.469 nan 8.290 nan 0.000 0.524 341 Q N -0.431 119.461 119.800 0.153 0.000 2.557 341 Q HA 0.064 4.404 4.340 -0.000 0.000 0.217 341 Q C 1.605 177.752 176.000 0.246 0.000 0.978 341 Q CA 0.919 56.844 55.803 0.203 0.000 0.950 341 Q CB -0.188 28.719 28.738 0.282 0.000 0.991 341 Q HN 0.821 nan 8.270 nan 0.000 0.533 342 Y N 1.905 122.274 120.300 0.115 0.000 2.181 342 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 342 Y C 1.644 177.676 175.900 0.220 0.000 1.146 342 Y CA 1.842 60.031 58.100 0.148 0.000 1.164 342 Y CB 0.264 38.783 38.460 0.098 0.000 0.982 342 Y HN 0.046 nan 8.280 nan 0.000 0.515 343 E N 0.279 120.504 120.200 0.041 0.000 2.015 343 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 343 E C 2.037 178.618 176.600 -0.031 0.000 0.991 343 E CA 1.683 58.043 56.400 -0.067 0.000 0.802 343 E CB -0.489 29.235 29.700 0.042 0.000 0.759 343 E HN 0.434 nan 8.360 nan 0.000 0.447 344 I N 0.386 120.981 120.570 0.041 0.000 2.091 344 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 344 I C 2.098 178.213 176.117 -0.002 0.000 1.046 344 I CA 1.445 62.763 61.300 0.030 0.000 1.306 344 I CB -0.639 37.408 38.000 0.078 0.000 1.018 344 I HN 0.084 nan 8.210 nan 0.000 0.404 345 F N 0.679 120.578 119.950 -0.086 0.000 2.069 345 F HA -0.301 4.226 4.527 -0.000 0.000 0.298 345 F C 2.958 178.606 175.800 -0.253 0.000 1.113 345 F CA 2.036 59.938 58.000 -0.164 0.000 1.214 345 F CB -0.637 38.313 39.000 -0.083 0.000 0.978 345 F HN 0.052 nan 8.300 nan 0.000 0.474 346 S N -0.288 115.426 115.700 0.023 0.000 2.413 346 S HA -0.258 4.212 4.470 -0.000 0.000 0.237 346 S C 1.839 176.357 174.600 -0.136 0.000 1.044 346 S CA 2.051 60.255 58.200 0.008 0.000 1.024 346 S CB -0.568 62.550 63.200 -0.137 0.000 0.829 346 S HN 0.488 nan 8.310 nan 0.000 0.475 347 D N 0.645 120.945 120.400 -0.166 0.000 2.144 347 D HA 0.139 4.779 4.640 -0.000 0.000 0.207 347 D C 2.381 178.528 176.300 -0.254 0.000 0.970 347 D CA 1.159 55.061 54.000 -0.163 0.000 0.853 347 D CB -0.783 39.950 40.800 -0.112 0.000 1.007 347 D HN 0.458 nan 8.370 nan 0.000 0.469 348 A N 1.383 124.004 122.820 -0.333 0.000 1.997 348 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 348 A C 2.141 179.409 177.584 -0.528 0.000 1.172 348 A CA 1.523 53.310 52.037 -0.417 0.000 0.645 348 A CB -0.459 18.244 19.000 -0.496 0.000 0.813 348 A HN 0.138 nan 8.150 nan 0.000 0.454 349 M N -0.837 118.349 119.600 -0.690 0.000 2.200 349 M HA -0.099 4.381 4.480 -0.000 0.000 0.265 349 M C 1.388 177.469 176.300 -0.366 0.000 1.066 349 M CA 1.508 56.397 55.300 -0.685 0.000 1.127 349 M CB -1.486 30.503 32.600 -1.019 0.000 1.379 349 M HN 0.390 nan 8.290 nan 0.000 0.420 350 D N -0.008 120.237 120.400 -0.259 0.000 2.218 350 D HA -0.162 4.478 4.640 -0.000 0.000 0.204 350 D C 2.137 178.379 176.300 -0.098 0.000 0.976 350 D CA 1.020 54.948 54.000 -0.120 0.000 0.853 350 D CB 0.079 40.842 40.800 -0.061 0.000 0.939 350 D HN 0.448 nan 8.370 nan 0.000 0.481 351 Q N -0.442 119.259 119.800 -0.164 0.000 2.033 351 Q HA -0.041 4.299 4.340 -0.000 0.000 0.196 351 Q C 2.065 177.964 176.000 -0.168 0.000 0.970 351 Q CA 0.232 55.947 55.803 -0.147 0.000 0.828 351 Q CB -0.103 28.534 28.738 -0.170 0.000 0.895 351 Q HN 0.239 nan 8.270 nan 0.000 0.440 352 L N 1.412 122.487 121.223 -0.246 0.000 2.021 352 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 352 L C 2.267 179.021 176.870 -0.192 0.000 1.074 352 L CA 2.752 57.432 54.840 -0.267 0.000 0.760 352 L CB -1.406 40.434 42.059 -0.366 0.000 0.889 352 L HN 0.432 nan 8.230 nan 0.000 0.433 353 T N -2.527 111.935 114.554 -0.152 0.000 2.777 353 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 353 T C 1.800 176.495 174.700 -0.010 0.000 1.040 353 T CA 1.073 63.128 62.100 -0.074 0.000 1.141 353 T CB -0.447 68.385 68.868 -0.060 0.000 0.868 353 T HN 0.316 nan 8.240 nan 0.000 0.444 354 N N 1.863 120.563 118.700 0.001 0.000 2.013 354 N HA -0.075 4.665 4.740 -0.000 0.000 0.195 354 N C 2.341 177.827 175.510 -0.039 0.000 1.051 354 N CA 1.718 54.766 53.050 -0.003 0.000 0.851 354 N CB -0.813 37.660 38.487 -0.024 0.000 1.044 354 N HN 0.411 nan 8.380 nan 0.000 0.422 355 S N 1.715 117.374 115.700 -0.069 0.000 2.381 355 S HA -0.200 4.270 4.470 -0.000 0.000 0.230 355 S C 2.058 176.620 174.600 -0.062 0.000 1.052 355 S CA 1.163 59.318 58.200 -0.075 0.000 1.068 355 S CB -0.603 62.531 63.200 -0.110 0.000 0.918 355 S HN 0.288 nan 8.310 nan 0.000 0.448 356 L N 1.429 122.601 121.223 -0.086 0.000 2.046 356 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 356 L C 2.012 178.903 176.870 0.034 0.000 1.077 356 L CA 1.517 56.309 54.840 -0.080 0.000 0.747 356 L CB -0.368 41.575 42.059 -0.193 0.000 0.896 356 L HN 0.307 nan 8.230 nan 0.000 0.432 357 I N -1.201 119.366 120.570 -0.004 0.000 2.226 357 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 357 I C 2.247 178.406 176.117 0.069 0.000 1.100 357 I CA 1.483 62.793 61.300 0.015 0.000 1.374 357 I CB -1.027 36.963 38.000 -0.016 0.000 1.057 357 I HN 0.293 nan 8.210 nan 0.000 0.413 358 T N 1.181 115.751 114.554 0.026 0.000 2.516 358 T HA -0.230 4.120 4.350 -0.000 0.000 0.261 358 T C 1.480 176.203 174.700 0.038 0.000 1.130 358 T CA 2.133 64.242 62.100 0.015 0.000 1.193 358 T CB -0.695 68.163 68.868 -0.015 0.000 0.864 358 T HN 0.306 nan 8.240 nan 0.000 0.410 359 N N 0.382 119.095 118.700 0.021 0.000 2.661 359 N HA -0.088 4.652 4.740 -0.000 0.000 0.196 359 N C 0.830 176.287 175.510 -0.089 0.000 1.129 359 N CA 0.705 53.737 53.050 -0.029 0.000 0.938 359 N CB -0.343 38.110 38.487 -0.057 0.000 0.966 359 N HN 0.522 nan 8.380 nan 0.000 0.450 360 Y N -0.709 119.582 120.300 -0.017 0.000 2.458 360 Y HA 0.325 4.875 4.550 -0.000 0.000 0.254 360 Y C 0.140 176.041 175.900 0.002 0.000 1.120 360 Y CA -0.025 58.076 58.100 0.001 0.000 1.282 360 Y CB 0.464 38.917 38.460 -0.010 0.000 1.109 360 Y HN -0.037 nan 8.280 nan 0.000 0.526 361 M N 0.129 119.789 119.600 0.100 0.000 2.197 361 M HA 0.262 4.742 4.480 -0.000 0.000 0.301 361 M C -1.580 174.732 176.300 0.022 0.000 0.987 361 M CA -0.543 54.791 55.300 0.057 0.000 0.921 361 M CB 1.830 34.457 32.600 0.046 0.000 1.569 361 M HN -0.186 nan 8.290 nan 0.000 0.431 362 D N 5.388 125.797 120.400 0.015 0.000 2.233 362 D HA 0.450 5.090 4.640 -0.000 0.000 0.240 362 D C -2.120 174.183 176.300 0.004 0.000 1.074 362 D CA -0.939 53.064 54.000 0.005 0.000 0.838 362 D CB 1.589 42.391 40.800 0.004 0.000 1.124 362 D HN 0.469 nan 8.370 nan 0.000 0.475 363 P HA 0.329 nan 4.420 nan 0.000 0.278 363 P C -2.607 174.689 177.300 -0.006 0.000 1.238 363 P CA -1.435 61.662 63.100 -0.004 0.000 0.794 363 P CB 0.094 31.790 31.700 -0.006 0.000 0.955 364 P HA 0.113 nan 4.420 nan 0.000 0.208 364 P C -0.773 176.518 177.300 -0.016 0.000 1.341 364 P CA 1.010 64.103 63.100 -0.011 0.000 1.235 364 P CB -0.770 30.922 31.700 -0.014 0.000 1.764 365 A N 2.257 125.067 122.820 -0.017 0.000 2.488 365 A HA 0.455 4.775 4.320 -0.000 0.000 0.298 365 A C -0.204 177.360 177.584 -0.032 0.000 1.044 365 A CA -0.805 51.217 52.037 -0.025 0.000 0.693 365 A CB 0.990 19.975 19.000 -0.025 0.000 1.272 365 A HN 0.177 nan 8.150 nan 0.000 0.402 366 I N 4.303 124.847 120.570 -0.043 0.000 2.948 366 I HA 0.030 4.200 4.170 -0.000 0.000 0.284 366 I C -1.210 174.868 176.117 -0.065 0.000 1.181 366 I CA -0.486 60.778 61.300 -0.060 0.000 1.372 366 I CB -0.341 37.617 38.000 -0.071 0.000 1.443 366 I HN 0.520 nan 8.210 nan 0.000 0.554 367 P HA -0.078 nan 4.420 nan 0.000 0.272 367 P C -0.351 176.903 177.300 -0.077 0.000 1.225 367 P CA -0.373 62.689 63.100 -0.063 0.000 0.800 367 P CB 0.569 32.232 31.700 -0.062 0.000 0.894 368 A N 0.628 123.410 122.820 -0.065 0.000 2.444 368 A HA 0.469 4.789 4.320 -0.000 0.000 0.273 368 A C 1.221 178.757 177.584 -0.080 0.000 1.136 368 A CA 0.416 52.413 52.037 -0.065 0.000 0.799 368 A CB -1.405 17.565 19.000 -0.049 0.000 1.081 368 A HN 0.998 nan 8.150 nan 0.000 0.509 369 G N 1.276 110.020 108.800 -0.092 0.000 2.325 369 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.248 369 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.248 369 G C -0.363 174.445 174.900 -0.152 0.000 1.108 369 G CA 0.167 45.205 45.100 -0.104 0.000 0.881 369 G HN 1.534 nan 8.290 nan 0.000 0.494 370 L N 0.929 122.035 121.223 -0.195 0.000 2.426 370 L HA 0.802 5.142 4.340 -0.000 0.000 0.255 370 L C 0.463 177.106 176.870 -0.379 0.000 1.080 370 L CA 0.143 54.788 54.840 -0.325 0.000 0.960 370 L CB 0.653 42.498 42.059 -0.357 0.000 1.326 370 L HN 0.744 nan 8.230 nan 0.000 0.441 371 A N 3.929 126.560 122.820 -0.315 0.000 2.303 371 A HA 0.601 4.921 4.320 -0.000 0.000 0.320 371 A C -0.967 176.492 177.584 -0.208 0.000 1.192 371 A CA -0.383 51.519 52.037 -0.225 0.000 0.821 371 A CB 0.332 19.264 19.000 -0.113 0.000 1.188 371 A HN 0.501 nan 8.150 nan 0.000 0.492 372 F N 1.965 121.874 119.950 -0.068 0.000 2.420 372 F HA 0.201 4.728 4.527 -0.000 0.000 0.352 372 F C 1.584 177.340 175.800 -0.073 0.000 1.108 372 F CA -0.154 57.799 58.000 -0.079 0.000 1.162 372 F CB 1.786 40.734 39.000 -0.086 0.000 1.118 372 F HN 0.702 nan 8.300 nan 0.000 0.510 373 T N 0.429 115.074 114.554 0.151 0.000 2.985 373 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 373 T C 0.524 175.226 174.700 0.004 0.000 1.076 373 T CA 0.765 62.893 62.100 0.048 0.000 1.135 373 T CB -0.058 68.824 68.868 0.022 0.000 0.890 373 T HN 0.539 nan 8.240 nan 0.000 0.480 374 S N 0.924 116.605 115.700 -0.031 0.000 2.599 374 S HA 0.653 5.123 4.470 -0.000 0.000 0.287 374 S C -3.111 171.348 174.600 -0.235 0.000 1.105 374 S CA -1.778 56.341 58.200 -0.136 0.000 0.899 374 S CB 2.386 65.490 63.200 -0.161 0.000 1.100 374 S HN -0.066 nan 8.310 nan 0.000 0.482 375 P HA 0.097 nan 4.420 nan 0.000 0.277 375 P C 1.144 178.174 177.300 -0.451 0.000 1.276 375 P CA -0.557 62.309 63.100 -0.389 0.000 0.788 375 P CB 0.276 31.660 31.700 -0.526 0.000 1.114 376 W N 1.190 122.250 121.300 -0.401 0.000 2.392 376 W HA -0.146 4.514 4.660 -0.000 0.000 0.279 376 W C 0.992 177.474 176.519 -0.062 0.000 1.225 376 W CA 0.686 57.886 57.345 -0.242 0.000 1.233 376 W CB -1.877 27.530 29.460 -0.088 0.000 1.122 376 W HN 0.189 nan 8.180 nan 0.000 0.561 377 F N 0.877 120.390 119.950 -0.729 0.000 2.664 377 F HA 0.477 5.004 4.527 -0.000 0.000 0.301 377 F C 1.201 176.855 175.800 -0.243 0.000 1.126 377 F CA -1.024 56.590 58.000 -0.644 0.000 1.373 377 F CB -0.784 37.593 39.000 -1.037 0.000 1.042 377 F HN -0.277 nan 8.300 nan 0.000 0.535 378 R N -0.122 120.258 120.500 -0.201 0.000 2.767 378 R HA 0.126 4.466 4.340 -0.000 0.000 0.377 378 R C 0.869 177.169 176.300 0.001 0.000 1.151 378 R CA -0.364 55.701 56.100 -0.058 0.000 1.046 378 R CB -0.662 29.528 30.300 -0.183 0.000 1.404 378 R HN 0.359 nan 8.270 nan 0.000 0.580 379 F N 2.385 122.296 119.950 -0.065 0.000 2.064 379 F HA -0.467 4.060 4.527 -0.000 0.000 0.293 379 F C 2.381 178.162 175.800 -0.031 0.000 1.086 379 F CA 2.599 60.577 58.000 -0.038 0.000 1.242 379 F CB -0.119 38.887 39.000 0.010 0.000 0.970 379 F HN 0.178 nan 8.300 nan 0.000 0.494 380 S N -1.101 114.754 115.700 0.259 0.000 2.428 380 S HA -0.303 4.167 4.470 -0.000 0.000 0.240 380 S C 1.660 176.263 174.600 0.005 0.000 1.036 380 S CA 1.773 60.057 58.200 0.139 0.000 1.009 380 S CB -0.700 62.566 63.200 0.110 0.000 0.803 380 S HN 0.710 nan 8.310 nan 0.000 0.486 381 E N 0.956 121.129 120.200 -0.046 0.000 2.035 381 E HA 0.144 4.494 4.350 -0.000 0.000 0.191 381 E C 2.491 179.014 176.600 -0.128 0.000 0.966 381 E CA 0.112 56.468 56.400 -0.075 0.000 0.823 381 E CB -0.119 29.539 29.700 -0.070 0.000 0.791 381 E HN 0.339 nan 8.360 nan 0.000 0.459 382 R N 0.667 121.033 120.500 -0.224 0.000 2.185 382 R HA -0.203 4.137 4.340 -0.000 0.000 0.247 382 R C 2.192 178.334 176.300 -0.262 0.000 1.159 382 R CA 1.085 57.022 56.100 -0.271 0.000 0.988 382 R CB -0.322 29.630 30.300 -0.579 0.000 0.871 382 R HN 0.138 nan 8.270 nan 0.000 0.458 383 A N 1.004 123.584 122.820 -0.400 0.000 1.873 383 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 383 A C 2.123 179.625 177.584 -0.138 0.000 1.186 383 A CA 1.248 53.090 52.037 -0.325 0.000 0.616 383 A CB -0.472 18.379 19.000 -0.249 0.000 0.823 383 A HN 0.263 nan 8.150 nan 0.000 0.442 384 R N -0.618 119.823 120.500 -0.098 0.000 2.083 384 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 384 R C 2.128 178.403 176.300 -0.041 0.000 1.137 384 R CA 2.217 58.284 56.100 -0.056 0.000 0.951 384 R CB -0.741 29.536 30.300 -0.039 0.000 0.851 384 R HN 0.481 nan 8.270 nan 0.000 0.434 385 T N 1.400 115.943 114.554 -0.020 0.000 2.652 385 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 385 T C 1.859 176.547 174.700 -0.019 0.000 1.039 385 T CA 1.792 63.897 62.100 0.008 0.000 1.153 385 T CB -0.178 68.764 68.868 0.124 0.000 0.863 385 T HN 0.236 nan 8.240 nan 0.000 0.428 386 I N 0.803 121.370 120.570 -0.005 0.000 2.361 386 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 386 I C 1.714 177.799 176.117 -0.054 0.000 1.133 386 I CA 0.754 62.032 61.300 -0.036 0.000 1.413 386 I CB -0.264 37.713 38.000 -0.037 0.000 1.073 386 I HN 0.196 nan 8.210 nan 0.000 0.424 387 L N 0.488 121.679 121.223 -0.053 0.000 2.610 387 L HA 0.018 4.358 4.340 -0.000 0.000 0.232 387 L C 2.242 179.087 176.870 -0.042 0.000 1.149 387 L CA 0.925 55.736 54.840 -0.048 0.000 0.872 387 L CB -1.312 40.717 42.059 -0.050 0.000 0.992 387 L HN 0.190 nan 8.230 nan 0.000 0.447 388 A N -0.962 121.832 122.820 -0.044 0.000 2.220 388 A HA 0.197 4.517 4.320 -0.000 0.000 0.211 388 A C 1.069 178.626 177.584 -0.045 0.000 1.176 388 A CA -0.206 51.806 52.037 -0.041 0.000 0.834 388 A CB 0.066 19.041 19.000 -0.041 0.000 0.868 388 A HN 0.255 nan 8.150 nan 0.000 0.488 389 L N 1.191 122.383 121.223 -0.052 0.000 2.407 389 L HA 0.114 4.454 4.340 -0.000 0.000 0.282 389 L C 0.755 177.602 176.870 -0.038 0.000 1.110 389 L CA -0.289 54.519 54.840 -0.053 0.000 0.863 389 L CB 0.562 42.583 42.059 -0.064 0.000 1.207 389 L HN 0.454 nan 8.230 nan 0.000 0.454 390 Q N 1.384 121.164 119.800 -0.033 0.000 2.425 390 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 390 Q C 1.212 177.199 176.000 -0.020 0.000 0.933 390 Q CA 0.676 56.465 55.803 -0.023 0.000 0.939 390 Q CB -0.084 28.642 28.738 -0.020 0.000 1.044 390 Q HN 0.775 nan 8.270 nan 0.000 0.513 391 N N -0.267 118.418 118.700 -0.025 0.000 2.463 391 N HA 0.001 4.741 4.740 -0.000 0.000 0.181 391 N C -0.218 175.282 175.510 -0.016 0.000 1.078 391 N CA 0.207 53.244 53.050 -0.021 0.000 0.902 391 N CB 0.370 38.841 38.487 -0.027 0.000 0.970 391 N HN -0.064 nan 8.380 nan 0.000 0.451 392 V N 0.872 120.776 119.914 -0.017 0.000 2.459 392 V HA 0.145 4.265 4.120 -0.000 0.000 0.295 392 V C 0.031 176.124 176.094 -0.001 0.000 1.029 392 V CA -1.271 61.025 62.300 -0.007 0.000 0.874 392 V CB 1.548 33.365 31.823 -0.011 0.000 0.985 392 V HN 0.209 nan 8.190 nan 0.000 0.438 393 D N 2.089 122.495 120.400 0.011 0.000 2.548 393 D HA -0.073 4.567 4.640 -0.000 0.000 0.231 393 D C 0.935 177.243 176.300 0.012 0.000 1.142 393 D CA -0.020 53.989 54.000 0.015 0.000 0.866 393 D CB 1.130 41.946 40.800 0.026 0.000 1.190 393 D HN 0.462 nan 8.370 nan 0.000 0.469 394 L N 5.619 126.847 121.223 0.009 0.000 1.944 394 L HA -0.274 4.066 4.340 -0.000 0.000 0.218 394 L C 1.877 178.754 176.870 0.011 0.000 1.075 394 L CA 1.817 56.661 54.840 0.005 0.000 0.767 394 L CB -1.094 40.969 42.059 0.006 0.000 0.890 394 L HN 0.512 nan 8.230 nan 0.000 0.434 395 N N 0.175 118.890 118.700 0.025 0.000 2.096 395 N HA -0.274 4.466 4.740 -0.000 0.000 0.195 395 N C 1.942 177.478 175.510 0.043 0.000 1.017 395 N CA 2.376 55.449 53.050 0.039 0.000 0.870 395 N CB -0.568 37.951 38.487 0.054 0.000 1.024 395 N HN 0.532 nan 8.380 nan 0.000 0.434 396 I N 1.160 121.762 120.570 0.053 0.000 2.454 396 I HA -0.216 3.954 4.170 -0.000 0.000 0.254 396 I C 2.296 178.389 176.117 -0.040 0.000 1.156 396 I CA 0.828 62.169 61.300 0.068 0.000 1.433 396 I CB -0.146 37.922 38.000 0.112 0.000 1.082 396 I HN 0.135 nan 8.210 nan 0.000 0.432 397 R N 1.271 121.747 120.500 -0.040 0.000 2.061 397 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 397 R C 2.265 178.509 176.300 -0.094 0.000 1.140 397 R CA 1.160 57.215 56.100 -0.075 0.000 0.940 397 R CB -0.458 29.814 30.300 -0.047 0.000 0.839 397 R HN 0.266 nan 8.270 nan 0.000 0.429 398 K N 0.752 121.123 120.400 -0.048 0.000 2.032 398 K HA -0.231 4.089 4.320 -0.000 0.000 0.218 398 K C 2.139 178.703 176.600 -0.061 0.000 1.054 398 K CA 1.764 58.034 56.287 -0.027 0.000 0.941 398 K CB -0.486 32.020 32.500 0.010 0.000 0.720 398 K HN -0.005 nan 8.250 nan 0.000 0.449 399 L N 1.063 122.233 121.223 -0.089 0.000 2.013 399 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 399 L C 2.256 178.877 176.870 -0.414 0.000 1.073 399 L CA 1.610 56.340 54.840 -0.182 0.000 0.753 399 L CB -0.438 41.595 42.059 -0.043 0.000 0.890 399 L HN 0.223 nan 8.230 nan 0.000 0.432 400 I N -1.562 118.678 120.570 -0.550 0.000 2.335 400 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 400 I C 2.244 178.238 176.117 -0.205 0.000 1.129 400 I CA 0.910 61.870 61.300 -0.567 0.000 1.402 400 I CB -0.487 37.240 38.000 -0.454 0.000 1.069 400 I HN 0.087 nan 8.210 nan 0.000 0.424 401 V N 0.915 120.777 119.914 -0.087 0.000 2.229 401 V HA -0.251 3.869 4.120 -0.000 0.000 0.243 401 V C 2.557 178.818 176.094 0.278 0.000 1.042 401 V CA 1.743 64.118 62.300 0.124 0.000 1.000 401 V CB -0.893 30.993 31.823 0.106 0.000 0.637 401 V HN 0.343 nan 8.190 nan 0.000 0.446 402 R N -0.507 120.065 120.500 0.121 0.000 2.133 402 R HA -0.281 4.059 4.340 -0.000 0.000 0.245 402 R C 2.323 178.674 176.300 0.085 0.000 1.137 402 R CA 2.495 58.663 56.100 0.114 0.000 0.947 402 R CB -0.906 29.409 30.300 0.025 0.000 0.865 402 R HN 0.713 nan 8.270 nan 0.000 0.437 403 H N 0.182 119.002 119.070 -0.416 0.000 2.290 403 H HA -0.149 4.407 4.556 -0.000 0.000 0.298 403 H C 2.191 177.567 175.328 0.080 0.000 1.087 403 H CA 1.455 57.292 56.048 -0.351 0.000 1.291 403 H CB 0.023 29.514 29.762 -0.452 0.000 1.369 403 H HN 0.055 nan 8.280 nan 0.000 0.492 404 L N 0.271 121.651 121.223 0.261 0.000 2.043 404 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 404 L C 2.177 179.334 176.870 0.478 0.000 1.075 404 L CA 1.925 56.942 54.840 0.295 0.000 0.752 404 L CB -1.148 41.050 42.059 0.232 0.000 0.891 404 L HN 0.496 nan 8.230 nan 0.000 0.432 405 W N -0.395 121.108 121.300 0.339 0.000 2.315 405 W HA -0.293 4.367 4.660 -0.000 0.000 0.323 405 W C 2.450 179.020 176.519 0.085 0.000 1.233 405 W CA 3.016 60.356 57.345 -0.008 0.000 1.267 405 W CB -0.453 28.950 29.460 -0.095 0.000 1.160 405 W HN -0.012 nan 8.180 nan 0.000 0.474 406 V N 1.038 121.369 119.914 0.696 0.000 2.317 406 V HA -0.360 3.760 4.120 -0.000 0.000 0.251 406 V C 1.995 178.263 176.094 0.289 0.000 1.065 406 V CA 2.168 64.818 62.300 0.583 0.000 1.049 406 V CB -1.066 31.126 31.823 0.616 0.000 0.651 406 V HN 0.204 nan 8.190 nan 0.000 0.450 407 I N 0.029 120.740 120.570 0.235 0.000 2.252 407 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 407 I C 2.514 178.667 176.117 0.061 0.000 1.102 407 I CA 1.774 63.117 61.300 0.071 0.000 1.385 407 I CB -1.031 36.965 38.000 -0.008 0.000 1.064 407 I HN 0.250 nan 8.210 nan 0.000 0.414 408 T N 0.386 114.975 114.554 0.058 0.000 2.607 408 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 408 T C 2.156 176.833 174.700 -0.040 0.000 1.049 408 T CA 2.230 64.371 62.100 0.068 0.000 1.162 408 T CB -0.658 68.206 68.868 -0.006 0.000 0.863 408 T HN 0.568 nan 8.240 nan 0.000 0.424 409 S N 2.479 117.989 115.700 -0.316 0.000 2.359 409 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 409 S C 2.128 176.711 174.600 -0.029 0.000 1.039 409 S CA 1.201 59.203 58.200 -0.329 0.000 1.042 409 S CB -1.151 61.707 63.200 -0.569 0.000 0.915 409 S HN 0.437 nan 8.310 nan 0.000 0.439 410 L N 0.803 122.077 121.223 0.086 0.000 2.129 410 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 410 L C 2.622 179.585 176.870 0.154 0.000 1.087 410 L CA 1.541 56.515 54.840 0.224 0.000 0.757 410 L CB -0.706 41.444 42.059 0.151 0.000 0.896 410 L HN 0.381 nan 8.230 nan 0.000 0.434 411 I N -0.375 120.277 120.570 0.136 0.000 2.163 411 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 411 I C 2.807 178.835 176.117 -0.148 0.000 1.081 411 I CA 1.082 62.445 61.300 0.106 0.000 1.353 411 I CB -0.513 37.616 38.000 0.216 0.000 1.054 411 I HN 0.169 nan 8.210 nan 0.000 0.407 412 A N 0.386 123.208 122.820 0.002 0.000 1.997 412 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 412 A C 2.366 179.941 177.584 -0.015 0.000 1.172 412 A CA 2.127 54.187 52.037 0.038 0.000 0.645 412 A CB -0.863 18.190 19.000 0.088 0.000 0.813 412 A HN 0.307 nan 8.150 nan 0.000 0.454 413 V N -2.391 117.510 119.914 -0.021 0.000 2.426 413 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 413 V C 2.047 178.010 176.094 -0.218 0.000 1.036 413 V CA 1.409 63.667 62.300 -0.070 0.000 1.044 413 V CB -0.763 31.046 31.823 -0.023 0.000 0.688 413 V HN 0.527 nan 8.190 nan 0.000 0.462 414 F N 1.281 120.963 119.950 -0.447 0.000 2.512 414 F HA 0.222 4.749 4.527 -0.000 0.000 0.296 414 F C 2.235 177.769 175.800 -0.443 0.000 1.110 414 F CA 0.986 58.636 58.000 -0.583 0.000 1.446 414 F CB -0.754 37.482 39.000 -1.275 0.000 1.092 414 F HN 0.179 nan 8.300 nan 0.000 0.554 415 G N -0.255 108.350 108.800 -0.325 0.000 2.426 415 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 415 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 415 G C 1.673 176.626 174.900 0.088 0.000 1.156 415 G CA 0.124 45.089 45.100 -0.226 0.000 0.802 415 G HN 0.144 nan 8.290 nan 0.000 0.534 416 R N -0.328 120.144 120.500 -0.046 0.000 2.265 416 R HA -0.274 4.066 4.340 -0.000 0.000 0.256 416 R C 1.762 177.996 176.300 -0.110 0.000 1.120 416 R CA 2.241 58.277 56.100 -0.107 0.000 0.956 416 R CB -0.822 29.208 30.300 -0.451 0.000 0.925 416 R HN 0.564 nan 8.270 nan 0.000 0.448 417 Y N -1.116 119.296 120.300 0.186 0.000 2.465 417 Y HA 0.021 4.571 4.550 -0.000 0.000 0.311 417 Y C 0.285 176.324 175.900 0.232 0.000 1.204 417 Y CA -0.796 57.402 58.100 0.165 0.000 1.272 417 Y CB -0.301 38.220 38.460 0.102 0.000 1.083 417 Y HN 0.088 nan 8.280 nan 0.000 0.508 418 Y N 2.636 123.074 120.300 0.230 0.000 2.650 418 Y HA 0.160 4.710 4.550 -0.000 0.000 0.331 418 Y C 0.436 176.430 175.900 0.156 0.000 1.165 418 Y CA -0.839 57.393 58.100 0.220 0.000 1.473 418 Y CB 0.195 38.834 38.460 0.297 0.000 1.224 418 Y HN 0.171 nan 8.280 nan 0.000 0.533 419 R N 8.196 128.593 120.500 -0.171 0.000 2.837 419 R HA 0.282 4.622 4.340 -0.000 0.000 0.245 419 R C -3.022 173.107 176.300 -0.286 0.000 1.712 419 R CA -1.525 54.422 56.100 -0.254 0.000 1.539 419 R CB 0.512 30.781 30.300 -0.052 0.000 1.490 419 R HN 0.406 nan 8.270 nan 0.000 0.667 420 P HA 0.026 nan 4.420 nan 0.000 0.257 420 P C -1.102 176.131 177.300 -0.112 0.000 1.227 420 P CA 0.358 63.298 63.100 -0.266 0.000 0.981 420 P CB 0.471 31.973 31.700 -0.330 0.000 1.044 421 N N 0.000 118.676 118.700 -0.041 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.041 53.050 -0.014 0.000 0.885 421 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667