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 1fwe_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMXXXX XXXXXXXXXX FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.617 174.600 0.028 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.223 63.200 0.038 0.000 0.593 3 N N -0.236 118.480 118.700 0.026 0.000 2.405 3 N HA 0.778 5.518 4.740 -0.000 0.000 0.285 3 N C -1.778 173.752 175.510 0.034 0.000 1.262 3 N CA -0.453 52.605 53.050 0.014 0.000 0.773 3 N CB 2.453 40.941 38.487 0.001 0.000 1.490 3 N HN 0.711 nan 8.380 nan 0.000 0.486 4 I N 0.644 121.231 120.570 0.029 0.000 2.743 4 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 4 I C -0.298 175.847 176.117 0.047 0.000 1.343 4 I CA -0.403 60.940 61.300 0.072 0.000 1.038 4 I CB 1.844 39.943 38.000 0.164 0.000 1.311 4 I HN 0.634 nan 8.210 nan 0.000 0.426 5 S N 6.286 122.019 115.700 0.054 0.000 2.585 5 S HA 0.334 4.804 4.470 -0.000 0.000 0.273 5 S C 1.061 175.701 174.600 0.068 0.000 1.339 5 S CA -0.388 57.834 58.200 0.036 0.000 1.028 5 S CB 1.528 64.748 63.200 0.033 0.000 0.906 5 S HN 0.814 nan 8.310 nan 0.000 0.528 6 R N 0.498 121.016 120.500 0.030 0.000 2.105 6 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 6 R C 2.382 178.756 176.300 0.122 0.000 1.135 6 R CA 1.756 57.888 56.100 0.052 0.000 0.967 6 R CB -0.464 29.837 30.300 0.000 0.000 0.861 6 R HN 0.784 nan 8.270 nan 0.000 0.442 7 Q N 0.648 120.500 119.800 0.086 0.000 2.046 7 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 7 Q C 1.900 177.956 176.000 0.092 0.000 0.975 7 Q CA 2.114 57.966 55.803 0.082 0.000 0.836 7 Q CB -0.304 28.464 28.738 0.051 0.000 0.896 7 Q HN 0.305 nan 8.270 nan 0.000 0.428 8 A N -0.721 122.152 122.820 0.088 0.000 1.933 8 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 8 A C 2.062 179.703 177.584 0.094 0.000 1.175 8 A CA 1.462 53.539 52.037 0.066 0.000 0.628 8 A CB -1.097 17.939 19.000 0.060 0.000 0.814 8 A HN 0.618 nan 8.150 nan 0.000 0.444 9 Y N 0.593 120.940 120.300 0.079 0.000 2.128 9 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 9 Y C 2.666 178.675 175.900 0.181 0.000 1.154 9 Y CA 1.590 59.800 58.100 0.185 0.000 1.149 9 Y CB -0.398 38.150 38.460 0.148 0.000 0.976 9 Y HN 0.319 nan 8.280 nan 0.000 0.505 10 A N 0.063 123.060 122.820 0.296 0.000 1.902 10 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 10 A C 1.861 179.475 177.584 0.050 0.000 1.181 10 A CA 2.046 54.203 52.037 0.199 0.000 0.623 10 A CB -0.829 18.276 19.000 0.175 0.000 0.818 10 A HN 0.552 nan 8.150 nan 0.000 0.443 11 D N -0.820 119.583 120.400 0.006 0.000 2.144 11 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 11 D C 1.943 178.146 176.300 -0.162 0.000 0.984 11 D CA 1.258 55.227 54.000 -0.052 0.000 0.834 11 D CB -0.243 40.532 40.800 -0.041 0.000 0.955 11 D HN 0.486 nan 8.370 nan 0.000 0.465 12 M N -1.361 118.051 119.600 -0.314 0.000 2.325 12 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 12 M C 0.713 176.490 176.300 -0.870 0.000 1.094 12 M CA 0.993 55.888 55.300 -0.675 0.000 1.161 12 M CB 0.315 32.304 32.600 -1.018 0.000 1.358 12 M HN -0.072 nan 8.290 nan 0.000 0.446 13 F N -0.386 119.397 119.950 -0.278 0.000 2.746 13 F HA 0.463 4.990 4.527 -0.000 0.000 0.320 13 F C 0.963 176.722 175.800 -0.069 0.000 1.097 13 F CA -0.024 57.841 58.000 -0.225 0.000 1.195 13 F CB 0.302 39.039 39.000 -0.439 0.000 1.056 13 F HN 0.200 nan 8.300 nan 0.000 0.562 14 G N 1.562 110.416 108.800 0.090 0.000 2.712 14 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.683 14 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.683 14 G C -3.009 172.025 174.900 0.224 0.000 1.320 14 G CA -1.303 43.879 45.100 0.137 0.000 0.847 14 G HN -0.051 nan 8.290 nan 0.000 0.553 15 P HA 0.427 nan 4.420 nan 0.000 0.272 15 P C 0.057 177.510 177.300 0.254 0.000 1.223 15 P CA 0.396 63.626 63.100 0.216 0.000 0.784 15 P CB 1.662 33.448 31.700 0.142 0.000 0.923 16 T N 0.007 114.703 114.554 0.236 0.000 2.807 16 T HA 0.284 4.634 4.350 -0.000 0.000 0.277 16 T C -0.389 174.390 174.700 0.131 0.000 1.006 16 T CA -0.799 61.427 62.100 0.210 0.000 1.006 16 T CB 0.624 69.620 68.868 0.212 0.000 1.274 16 T HN 0.105 nan 8.240 nan 0.000 0.569 17 V N 2.218 122.204 119.914 0.121 0.000 2.583 17 V HA 0.316 4.436 4.120 -0.000 0.000 0.302 17 V C 1.807 177.938 176.094 0.061 0.000 1.033 17 V CA 1.698 64.049 62.300 0.086 0.000 1.194 17 V CB -0.207 31.667 31.823 0.085 0.000 0.879 17 V HN 1.299 nan 8.190 nan 0.000 0.482 18 G N 3.767 112.599 108.800 0.053 0.000 2.234 18 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.235 18 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.235 18 G C -0.061 174.863 174.900 0.040 0.000 0.997 18 G CA 0.014 45.136 45.100 0.037 0.000 0.623 18 G HN 0.665 nan 8.290 nan 0.000 0.514 19 D N 1.400 121.836 120.400 0.061 0.000 2.341 19 D HA 0.550 5.190 4.640 -0.000 0.000 0.245 19 D C 0.586 176.940 176.300 0.090 0.000 1.106 19 D CA 0.380 54.426 54.000 0.075 0.000 0.905 19 D CB 0.965 41.825 40.800 0.100 0.000 1.202 19 D HN 0.408 nan 8.370 nan 0.000 0.426 20 K N 0.293 120.765 120.400 0.121 0.000 2.203 20 K HA 0.672 4.992 4.320 -0.000 0.000 0.251 20 K C -1.029 175.751 176.600 0.299 0.000 0.944 20 K CA -0.977 55.434 56.287 0.207 0.000 0.829 20 K CB 2.279 34.905 32.500 0.211 0.000 1.125 20 K HN 0.077 nan 8.250 nan 0.000 0.430 21 V N 2.017 122.076 119.914 0.242 0.000 2.577 21 V HA 0.349 4.469 4.120 -0.000 0.000 0.303 21 V C -0.423 175.516 176.094 -0.260 0.000 1.042 21 V CA -0.986 61.337 62.300 0.037 0.000 0.872 21 V CB 1.634 33.425 31.823 -0.052 0.000 0.998 21 V HN 0.704 nan 8.190 nan 0.000 0.423 22 R N 4.262 124.336 120.500 -0.710 0.000 2.438 22 R HA 0.444 4.784 4.340 -0.000 0.000 0.287 22 R C -0.825 175.081 176.300 -0.656 0.000 1.077 22 R CA -0.478 54.926 56.100 -1.160 0.000 1.034 22 R CB 0.536 29.985 30.300 -1.419 0.000 0.993 22 R HN 0.718 nan 8.270 nan 0.000 0.459 23 L N 6.372 127.220 121.223 -0.625 0.000 2.342 23 L HA 0.231 4.571 4.340 -0.000 0.000 0.285 23 L C 1.090 177.738 176.870 -0.370 0.000 1.095 23 L CA 0.342 54.845 54.840 -0.561 0.000 0.843 23 L CB 0.390 42.021 42.059 -0.714 0.000 1.201 23 L HN 1.136 nan 8.230 nan 0.000 0.445 24 A N 4.087 126.746 122.820 -0.268 0.000 5.479 24 A HA -0.310 4.010 4.320 -0.000 0.000 0.301 24 A C 0.769 178.249 177.584 -0.173 0.000 1.961 24 A CA 1.337 53.266 52.037 -0.180 0.000 0.716 24 A CB -1.069 17.821 19.000 -0.184 0.000 1.266 24 A HN 0.939 nan 8.150 nan 0.000 0.372 25 D N 0.123 120.469 120.400 -0.090 0.000 2.525 25 D HA 0.343 4.983 4.640 -0.000 0.000 0.229 25 D C 0.720 176.932 176.300 -0.146 0.000 1.202 25 D CA 1.024 54.963 54.000 -0.102 0.000 0.828 25 D CB -1.031 39.749 40.800 -0.034 0.000 1.008 25 D HN 1.107 nan 8.370 nan 0.000 0.493 26 T N -2.728 111.714 114.554 -0.188 0.000 2.814 26 T HA 0.251 4.601 4.350 -0.000 0.000 0.284 26 T C 0.823 175.512 174.700 -0.019 0.000 0.998 26 T CA -0.494 61.513 62.100 -0.154 0.000 0.935 26 T CB 1.594 70.413 68.868 -0.083 0.000 1.167 26 T HN -0.225 nan 8.240 nan 0.000 0.545 27 E N -0.088 120.270 120.200 0.263 0.000 2.474 27 E HA 0.261 4.611 4.350 -0.000 0.000 0.195 27 E C 0.066 176.729 176.600 0.104 0.000 1.039 27 E CA -0.077 56.429 56.400 0.175 0.000 0.881 27 E CB -0.149 29.660 29.700 0.182 0.000 0.970 27 E HN 0.551 nan 8.360 nan 0.000 0.486 28 L N 0.863 122.076 121.223 -0.017 0.000 2.319 28 L HA 0.197 4.537 4.340 -0.000 0.000 0.280 28 L C -0.341 176.399 176.870 -0.217 0.000 1.099 28 L CA -0.214 54.599 54.840 -0.045 0.000 0.828 28 L CB 0.315 42.327 42.059 -0.080 0.000 1.150 28 L HN -0.082 nan 8.230 nan 0.000 0.442 29 W N 4.817 126.069 121.300 -0.081 0.000 2.632 29 W HA 0.633 5.293 4.660 -0.000 0.000 0.328 29 W C -0.094 176.362 176.519 -0.105 0.000 1.044 29 W CA -0.484 56.804 57.345 -0.094 0.000 1.225 29 W CB 1.488 30.915 29.460 -0.055 0.000 1.396 29 W HN 0.246 nan 8.180 nan 0.000 0.499 30 I N -0.444 120.165 120.570 0.066 0.000 2.648 30 I HA 0.682 4.852 4.170 -0.000 0.000 0.304 30 I C -0.632 175.525 176.117 0.066 0.000 1.009 30 I CA -1.139 60.163 61.300 0.004 0.000 1.114 30 I CB 2.241 40.161 38.000 -0.133 0.000 1.293 30 I HN 0.404 nan 8.210 nan 0.000 0.449 31 E N 3.678 123.907 120.200 0.048 0.000 2.234 31 E HA 0.421 4.771 4.350 -0.000 0.000 0.266 31 E C -1.381 175.243 176.600 0.041 0.000 0.877 31 E CA -0.898 55.536 56.400 0.057 0.000 0.758 31 E CB 2.505 32.237 29.700 0.053 0.000 1.170 31 E HN 0.607 nan 8.360 nan 0.000 0.415 32 V N 4.909 124.853 119.914 0.050 0.000 2.458 32 V HA -0.047 4.073 4.120 -0.000 0.000 0.287 32 V C 0.988 177.115 176.094 0.055 0.000 1.009 32 V CA 0.703 63.035 62.300 0.053 0.000 1.091 32 V CB 0.563 32.432 31.823 0.076 0.000 0.960 32 V HN 0.833 nan 8.190 nan 0.000 0.476 33 E N 2.239 122.471 120.200 0.053 0.000 2.230 33 E HA 0.044 4.394 4.350 -0.000 0.000 0.192 33 E C 0.212 176.853 176.600 0.069 0.000 0.987 33 E CA 0.488 56.925 56.400 0.062 0.000 0.841 33 E CB 0.355 30.096 29.700 0.068 0.000 0.783 33 E HN 0.771 nan 8.360 nan 0.000 0.481 34 D N -0.851 119.594 120.400 0.075 0.000 2.653 34 D HA 0.169 4.809 4.640 -0.000 0.000 0.258 34 D C -1.988 174.355 176.300 0.071 0.000 1.252 34 D CA -0.541 53.503 54.000 0.072 0.000 0.777 34 D CB 1.958 42.809 40.800 0.084 0.000 1.339 34 D HN -0.207 nan 8.370 nan 0.000 0.422 35 D N 1.895 122.320 120.400 0.043 0.000 2.686 35 D HA 0.227 4.867 4.640 -0.000 0.000 0.249 35 D C 0.042 176.324 176.300 -0.031 0.000 1.260 35 D CA -0.394 53.620 54.000 0.023 0.000 0.910 35 D CB 1.554 42.364 40.800 0.016 0.000 1.323 35 D HN 0.110 nan 8.370 nan 0.000 0.561 36 L N 2.604 123.826 121.223 -0.002 0.000 2.627 36 L HA 0.162 4.502 4.340 -0.000 0.000 0.232 36 L C 1.350 178.185 176.870 -0.059 0.000 1.150 36 L CA 0.497 55.326 54.840 -0.018 0.000 0.917 36 L CB -0.493 41.584 42.059 0.028 0.000 1.104 36 L HN 0.347 nan 8.230 nan 0.000 0.445 37 T N -1.240 113.244 114.554 -0.118 0.000 2.849 37 T HA 0.368 4.718 4.350 -0.000 0.000 0.276 37 T C 0.101 174.644 174.700 -0.262 0.000 0.971 37 T CA -0.242 61.767 62.100 -0.151 0.000 0.949 37 T CB 0.845 69.636 68.868 -0.128 0.000 1.093 37 T HN 0.061 nan 8.240 nan 0.000 0.545 38 T N 2.749 117.182 114.554 -0.202 0.000 2.809 38 T HA 0.369 4.719 4.350 -0.000 0.000 0.296 38 T C -0.923 173.701 174.700 -0.126 0.000 1.015 38 T CA -0.218 61.774 62.100 -0.180 0.000 0.954 38 T CB -0.113 68.711 68.868 -0.074 0.000 0.950 38 T HN 0.509 nan 8.240 nan 0.000 0.450 39 Y N 2.090 122.371 120.300 -0.033 0.000 2.804 39 Y HA 0.249 4.799 4.550 -0.000 0.000 0.338 39 Y C 1.723 177.608 175.900 -0.026 0.000 1.252 39 Y CA 0.987 59.064 58.100 -0.038 0.000 1.576 39 Y CB 0.109 38.529 38.460 -0.065 0.000 1.223 39 Y HN 1.034 nan 8.280 nan 0.000 0.536 40 G N 2.040 110.912 108.800 0.120 0.000 2.278 40 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.210 40 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.210 40 G C 0.645 175.556 174.900 0.019 0.000 1.000 40 G CA -0.176 44.962 45.100 0.064 0.000 0.635 40 G HN 0.521 nan 8.290 nan 0.000 0.495 41 E N 1.198 121.396 120.200 -0.002 0.000 2.501 41 E HA 0.236 4.585 4.350 -0.000 0.000 0.200 41 E C 0.373 176.960 176.600 -0.021 0.000 1.016 41 E CA 0.036 56.433 56.400 -0.005 0.000 0.921 41 E CB 0.418 30.118 29.700 -0.001 0.000 1.034 41 E HN 0.696 nan 8.360 nan 0.000 0.468 42 E N 0.780 120.928 120.200 -0.085 0.000 2.415 42 E HA 0.052 4.402 4.350 -0.000 0.000 0.262 42 E C 0.198 176.820 176.600 0.037 0.000 1.038 42 E CA -0.051 56.299 56.400 -0.083 0.000 0.921 42 E CB 0.763 30.255 29.700 -0.347 0.000 0.950 42 E HN -0.086 nan 8.360 nan 0.000 0.438 43 V N 0.002 119.966 119.914 0.083 0.000 2.481 43 V HA 0.547 4.667 4.120 -0.000 0.000 0.286 43 V C -0.020 176.178 176.094 0.174 0.000 1.042 43 V CA -0.643 61.728 62.300 0.118 0.000 0.928 43 V CB 1.201 33.083 31.823 0.098 0.000 0.986 43 V HN 0.523 nan 8.190 nan 0.000 0.462 44 K N 3.057 123.564 120.400 0.178 0.000 2.498 44 K HA 0.573 4.893 4.320 -0.000 0.000 0.254 44 K C -1.911 174.799 176.600 0.183 0.000 0.933 44 K CA -0.666 55.730 56.287 0.182 0.000 0.806 44 K CB 2.687 35.288 32.500 0.169 0.000 1.301 44 K HN 0.727 nan 8.250 nan 0.000 0.432 45 F N 1.414 121.386 119.950 0.037 0.000 2.458 45 F HA 0.731 5.258 4.527 -0.000 0.000 0.330 45 F C 0.198 176.003 175.800 0.010 0.000 1.082 45 F CA 0.478 58.491 58.000 0.022 0.000 0.995 45 F CB 1.741 40.752 39.000 0.017 0.000 1.170 45 F HN 0.673 nan 8.300 nan 0.000 0.478 46 G N 2.261 110.383 108.800 -1.130 0.000 2.369 46 G HA2 0.345 4.305 3.960 -0.000 0.000 0.307 46 G HA3 0.345 4.305 3.960 -0.000 0.000 0.307 46 G C -0.742 173.856 174.900 -0.504 0.000 1.327 46 G CA -0.543 44.065 45.100 -0.820 0.000 0.963 46 G HN 1.106 nan 8.290 nan 0.000 0.590 47 G N -0.726 107.881 108.800 -0.320 0.000 2.298 47 G HA2 0.559 4.519 3.960 -0.000 0.000 0.263 47 G HA3 0.559 4.519 3.960 -0.000 0.000 0.263 47 G C 1.457 176.275 174.900 -0.137 0.000 1.229 47 G CA 1.850 46.834 45.100 -0.193 0.000 0.976 47 G HN 2.488 nan 8.290 nan 0.000 0.459 48 G N 1.747 110.483 108.800 -0.108 0.000 2.162 48 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 48 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 48 G C 0.829 175.697 174.900 -0.053 0.000 0.976 48 G CA 0.752 45.813 45.100 -0.065 0.000 0.655 48 G HN 0.734 nan 8.290 nan 0.000 0.533 49 K N -0.297 120.055 120.400 -0.080 0.000 2.731 49 K HA 0.587 4.907 4.320 -0.000 0.000 0.284 49 K C 1.933 178.536 176.600 0.005 0.000 1.027 49 K CA 0.076 56.341 56.287 -0.037 0.000 1.040 49 K CB -0.292 32.172 32.500 -0.060 0.000 1.334 49 K HN 0.109 nan 8.250 nan 0.000 0.498 50 V N 0.632 120.575 119.914 0.047 0.000 2.407 50 V HA -0.067 4.053 4.120 -0.000 0.000 0.245 50 V C 1.466 177.605 176.094 0.074 0.000 1.041 50 V CA 1.120 63.460 62.300 0.066 0.000 1.040 50 V CB -0.364 31.512 31.823 0.088 0.000 0.671 50 V HN 0.447 nan 8.190 nan 0.000 0.455 51 I N 2.487 123.124 120.570 0.111 0.000 2.382 51 I HA 0.168 4.338 4.170 -0.000 0.000 0.297 51 I C 0.308 176.507 176.117 0.136 0.000 1.172 51 I CA 0.603 61.991 61.300 0.146 0.000 1.825 51 I CB -0.760 37.383 38.000 0.237 0.000 1.509 51 I HN 0.245 nan 8.210 nan 0.000 0.842 52 R N 2.214 122.761 120.500 0.079 0.000 2.725 52 R HA 0.268 4.608 4.340 -0.000 0.000 0.277 52 R C -0.811 175.515 176.300 0.044 0.000 0.987 52 R CA -1.160 54.974 56.100 0.058 0.000 0.901 52 R CB 1.934 32.251 30.300 0.028 0.000 1.207 52 R HN 0.229 nan 8.270 nan 0.000 0.463 53 D N 0.439 120.861 120.400 0.037 0.000 2.648 53 D HA 0.003 4.643 4.640 -0.000 0.000 0.229 53 D C 1.260 177.573 176.300 0.021 0.000 1.119 53 D CA 2.607 56.623 54.000 0.026 0.000 0.850 53 D CB 0.435 41.247 40.800 0.021 0.000 1.169 53 D HN 0.690 nan 8.370 nan 0.000 0.489 54 G N 2.588 111.400 108.800 0.019 0.000 2.304 54 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.252 54 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.252 54 G C 0.826 175.738 174.900 0.020 0.000 1.014 54 G CA 0.957 46.067 45.100 0.017 0.000 0.619 54 G HN 0.526 nan 8.290 nan 0.000 0.525 55 M N -0.703 118.911 119.600 0.025 0.000 2.109 55 M HA 0.468 4.948 4.480 -0.000 0.000 0.187 55 M C 2.543 178.863 176.300 0.033 0.000 1.503 55 M CA 0.982 56.298 55.300 0.028 0.000 1.645 55 M CB -0.414 32.203 32.600 0.029 0.000 0.970 55 M HN 0.121 nan 8.290 nan 0.000 0.772 56 G N -0.143 108.682 108.800 0.043 0.000 2.598 56 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.215 56 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.215 56 G C 0.516 175.444 174.900 0.046 0.000 1.131 56 G CA 0.161 45.290 45.100 0.049 0.000 0.785 56 G HN 0.484 nan 8.290 nan 0.000 0.539 57 Q N 0.035 119.861 119.800 0.043 0.000 2.293 57 Q HA 0.557 4.897 4.340 -0.000 0.000 0.261 57 Q C 0.222 176.236 176.000 0.023 0.000 0.960 57 Q CA -0.584 55.239 55.803 0.035 0.000 0.882 57 Q CB 1.577 30.341 28.738 0.043 0.000 1.275 57 Q HN 0.137 nan 8.270 nan 0.000 0.445 58 G N 1.243 110.052 108.800 0.014 0.000 2.671 58 G HA2 0.137 4.097 3.960 -0.000 0.000 0.275 58 G HA3 0.137 4.097 3.960 -0.000 0.000 0.275 58 G C -0.009 174.893 174.900 0.004 0.000 1.368 58 G CA -0.228 44.877 45.100 0.009 0.000 1.044 58 G HN 0.666 nan 8.290 nan 0.000 0.543 59 Q N -0.150 119.652 119.800 0.003 0.000 2.282 59 Q HA 0.103 4.442 4.340 -0.000 0.000 0.206 59 Q C 1.120 177.117 176.000 -0.005 0.000 0.878 59 Q CA -0.282 55.521 55.803 -0.000 0.000 0.944 59 Q CB 0.197 28.936 28.738 0.002 0.000 1.100 59 Q HN 0.643 nan 8.270 nan 0.000 0.509 60 M N -0.337 119.258 119.600 -0.008 0.000 2.232 60 M HA 0.228 4.708 4.480 -0.000 0.000 0.321 60 M C 0.028 176.317 176.300 -0.019 0.000 1.101 60 M CA -0.000 55.292 55.300 -0.012 0.000 1.181 60 M CB 0.092 32.683 32.600 -0.015 0.000 1.432 60 M HN -0.099 nan 8.290 nan 0.000 0.457 61 L N 2.028 123.240 121.223 -0.019 0.000 2.475 61 L HA 0.304 4.644 4.340 -0.000 0.000 0.253 61 L C 1.923 178.772 176.870 -0.035 0.000 1.198 61 L CA -0.155 54.672 54.840 -0.023 0.000 0.814 61 L CB 0.270 42.319 42.059 -0.017 0.000 1.134 61 L HN 1.002 nan 8.230 nan 0.000 0.478 62 A N 1.261 124.058 122.820 -0.037 0.000 1.948 62 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 62 A C 2.259 179.808 177.584 -0.059 0.000 1.177 62 A CA 2.104 54.111 52.037 -0.050 0.000 0.636 62 A CB -0.892 18.082 19.000 -0.044 0.000 0.815 62 A HN 0.901 nan 8.150 nan 0.000 0.449 63 A N -0.705 122.091 122.820 -0.040 0.000 2.019 63 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 63 A C 1.342 178.898 177.584 -0.046 0.000 1.164 63 A CA 1.593 53.610 52.037 -0.034 0.000 0.644 63 A CB -0.267 18.726 19.000 -0.012 0.000 0.805 63 A HN 0.481 nan 8.150 nan 0.000 0.449 64 D N -0.949 119.421 120.400 -0.050 0.000 2.368 64 D HA 0.195 4.835 4.640 -0.000 0.000 0.218 64 D C 0.281 176.523 176.300 -0.096 0.000 1.112 64 D CA 0.590 54.560 54.000 -0.050 0.000 0.834 64 D CB -0.110 40.679 40.800 -0.019 0.000 0.953 64 D HN 0.608 nan 8.370 nan 0.000 0.505 65 C N -1.229 117.982 119.300 -0.149 0.000 3.171 65 C HA 0.763 5.223 4.460 -0.000 0.000 0.308 65 C C 0.322 175.143 174.990 -0.281 0.000 1.334 65 C CA -1.192 57.711 59.018 -0.191 0.000 1.473 65 C CB 1.100 28.775 27.740 -0.109 0.000 1.866 65 C HN 0.009 nan 8.230 nan 0.000 0.465 66 V N -0.106 119.620 119.914 -0.313 0.000 3.003 66 V HA 0.404 4.524 4.120 -0.000 0.000 0.305 66 V C 0.520 176.518 176.094 -0.159 0.000 1.078 66 V CA 0.413 62.531 62.300 -0.304 0.000 1.083 66 V CB 0.641 32.308 31.823 -0.261 0.000 1.039 66 V HN 0.918 nan 8.190 nan 0.000 0.481 67 D N 0.473 120.802 120.400 -0.119 0.000 2.249 67 D HA 0.186 4.826 4.640 -0.000 0.000 0.205 67 D C 0.134 176.395 176.300 -0.065 0.000 0.962 67 D CA 1.057 55.009 54.000 -0.079 0.000 0.860 67 D CB 0.838 41.604 40.800 -0.057 0.000 0.955 67 D HN 0.468 nan 8.370 nan 0.000 0.505 68 L N 0.172 121.364 121.223 -0.052 0.000 2.472 68 L HA 0.473 4.813 4.340 -0.000 0.000 0.260 68 L C -1.751 175.109 176.870 -0.017 0.000 0.963 68 L CA -0.862 53.956 54.840 -0.037 0.000 0.829 68 L CB 2.657 44.706 42.059 -0.015 0.000 1.348 68 L HN -0.285 nan 8.230 nan 0.000 0.408 69 V N 5.480 125.384 119.914 -0.016 0.000 2.623 69 V HA 0.603 4.723 4.120 -0.000 0.000 0.304 69 V C -1.453 174.654 176.094 0.021 0.000 1.054 69 V CA -0.426 61.883 62.300 0.014 0.000 0.882 69 V CB 1.973 33.804 31.823 0.014 0.000 1.002 69 V HN 0.710 nan 8.190 nan 0.000 0.424 70 L N 6.649 127.901 121.223 0.048 0.000 2.262 70 L HA 0.541 4.881 4.340 -0.000 0.000 0.288 70 L C 0.703 177.617 176.870 0.074 0.000 1.035 70 L CA 0.129 55.002 54.840 0.056 0.000 0.820 70 L CB 1.706 43.806 42.059 0.068 0.000 1.204 70 L HN 0.852 nan 8.230 nan 0.000 0.424 71 T N -0.286 114.314 114.554 0.076 0.000 2.889 71 T HA 0.280 4.630 4.350 -0.000 0.000 0.291 71 T C 0.571 175.340 174.700 0.114 0.000 0.995 71 T CA -0.717 61.441 62.100 0.097 0.000 1.092 71 T CB 0.604 69.537 68.868 0.109 0.000 0.954 71 T HN 0.593 nan 8.240 nan 0.000 0.506 72 N N -0.060 118.715 118.700 0.125 0.000 2.725 72 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 72 N C 0.021 175.610 175.510 0.132 0.000 1.031 72 N CA 0.850 53.986 53.050 0.143 0.000 0.720 72 N CB -1.674 36.922 38.487 0.181 0.000 0.930 72 N HN 1.122 nan 8.380 nan 0.000 0.543 73 A N 0.121 123.013 122.820 0.121 0.000 2.316 73 A HA 0.565 4.885 4.320 -0.000 0.000 0.284 73 A C 0.450 178.104 177.584 0.116 0.000 1.115 73 A CA -0.522 51.587 52.037 0.119 0.000 0.812 73 A CB 0.774 19.845 19.000 0.119 0.000 1.064 73 A HN 0.319 nan 8.150 nan 0.000 0.489 74 L N 4.023 125.310 121.223 0.108 0.000 2.283 74 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 74 L C -0.583 176.325 176.870 0.063 0.000 1.033 74 L CA -0.158 54.730 54.840 0.081 0.000 0.848 74 L CB -0.104 41.995 42.059 0.066 0.000 1.226 74 L HN 0.551 nan 8.230 nan 0.000 0.429 75 I N 5.140 125.735 120.570 0.042 0.000 2.474 75 I HA 0.258 4.427 4.170 -0.000 0.000 0.287 75 I C -0.365 175.677 176.117 -0.124 0.000 1.048 75 I CA -0.462 60.832 61.300 -0.010 0.000 1.383 75 I CB 1.245 39.237 38.000 -0.014 0.000 1.412 75 I HN 0.255 nan 8.210 nan 0.000 0.531 76 V N 5.557 125.405 119.914 -0.110 0.000 2.380 76 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 76 V C -0.666 175.312 176.094 -0.194 0.000 1.015 76 V CA -0.333 61.872 62.300 -0.158 0.000 0.834 76 V CB 1.482 33.252 31.823 -0.087 0.000 1.009 76 V HN 0.689 nan 8.190 nan 0.000 0.428 77 D N 0.829 120.957 120.400 -0.453 0.000 2.579 77 D HA 0.331 4.971 4.640 -0.000 0.000 0.257 77 D C 0.881 176.892 176.300 -0.483 0.000 1.176 77 D CA -0.439 53.247 54.000 -0.523 0.000 0.914 77 D CB 1.556 41.781 40.800 -0.960 0.000 1.431 77 D HN 0.684 nan 8.370 nan 0.000 0.454 78 H N -0.023 118.953 119.070 -0.157 0.000 2.489 78 H HA -0.072 4.484 4.556 -0.000 0.000 0.295 78 H C 1.377 176.820 175.328 0.193 0.000 1.082 78 H CA 1.792 57.881 56.048 0.069 0.000 1.295 78 H CB -0.343 29.503 29.762 0.140 0.000 1.380 78 H HN 0.517 nan 8.280 nan 0.000 0.548 79 W N 0.190 121.391 121.300 -0.165 0.000 3.114 79 W HA 0.600 5.260 4.660 -0.000 0.000 0.279 79 W C -0.135 176.421 176.519 0.063 0.000 1.277 79 W CA 0.120 57.483 57.345 0.030 0.000 1.630 79 W CB 0.217 29.614 29.460 -0.104 0.000 1.087 79 W HN 0.394 nan 8.180 nan 0.000 0.637 80 G N 0.969 109.565 108.800 -0.339 0.000 2.338 80 G HA2 0.401 4.361 3.960 -0.000 0.000 0.295 80 G HA3 0.401 4.361 3.960 -0.000 0.000 0.295 80 G C -2.023 172.640 174.900 -0.396 0.000 1.461 80 G CA -1.061 43.925 45.100 -0.190 0.000 0.817 80 G HN 0.048 nan 8.290 nan 0.000 0.556 81 I N 1.602 122.076 120.570 -0.159 0.000 2.502 81 I HA 0.440 4.610 4.170 -0.000 0.000 0.276 81 I C 0.159 176.251 176.117 -0.042 0.000 1.057 81 I CA -0.911 60.309 61.300 -0.133 0.000 1.163 81 I CB 1.277 39.228 38.000 -0.082 0.000 1.288 81 I HN 0.539 nan 8.210 nan 0.000 0.479 82 V N 2.045 121.940 119.914 -0.031 0.000 3.001 82 V HA 0.660 4.780 4.120 -0.000 0.000 0.314 82 V C -0.580 175.563 176.094 0.082 0.000 1.099 82 V CA -1.052 61.288 62.300 0.067 0.000 0.989 82 V CB 2.190 34.112 31.823 0.165 0.000 1.040 82 V HN 0.491 nan 8.190 nan 0.000 0.434 83 K N 1.994 122.454 120.400 0.099 0.000 2.211 83 K HA 0.892 5.212 4.320 -0.000 0.000 0.275 83 K C -0.427 176.240 176.600 0.111 0.000 1.024 83 K CA 0.687 57.040 56.287 0.110 0.000 0.887 83 K CB 0.819 33.394 32.500 0.126 0.000 1.084 83 K HN 1.612 nan 8.250 nan 0.000 0.463 84 A N 3.270 126.161 122.820 0.118 0.000 2.544 84 A HA 0.404 4.724 4.320 -0.000 0.000 0.291 84 A C -1.736 175.916 177.584 0.113 0.000 1.055 84 A CA -0.969 51.135 52.037 0.111 0.000 0.651 84 A CB 0.750 19.828 19.000 0.128 0.000 1.296 84 A HN 0.659 nan 8.150 nan 0.000 0.431 85 D N 0.458 120.919 120.400 0.101 0.000 2.225 85 D HA 0.589 5.229 4.640 -0.000 0.000 0.249 85 D C -0.537 175.830 176.300 0.112 0.000 1.052 85 D CA 0.371 54.431 54.000 0.101 0.000 0.909 85 D CB 1.421 42.273 40.800 0.087 0.000 1.186 85 D HN 0.430 nan 8.370 nan 0.000 0.431 86 I N 0.678 121.315 120.570 0.113 0.000 2.433 86 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 86 I C 0.655 176.844 176.117 0.121 0.000 1.001 86 I CA -0.727 60.648 61.300 0.126 0.000 1.119 86 I CB 2.127 40.203 38.000 0.128 0.000 1.289 86 I HN 0.214 nan 8.210 nan 0.000 0.438 87 G N 5.341 114.237 108.800 0.161 0.000 2.416 87 G HA2 0.616 4.576 3.960 -0.000 0.000 0.324 87 G HA3 0.616 4.576 3.960 -0.000 0.000 0.324 87 G C -1.092 173.924 174.900 0.194 0.000 1.194 87 G CA -0.341 44.860 45.100 0.169 0.000 0.922 87 G HN 0.330 nan 8.290 nan 0.000 0.467 88 V N 2.117 122.097 119.914 0.109 0.000 2.487 88 V HA 0.610 4.730 4.120 -0.000 0.000 0.298 88 V C -0.103 176.021 176.094 0.050 0.000 1.028 88 V CA -0.789 61.576 62.300 0.109 0.000 0.860 88 V CB 1.751 33.620 31.823 0.076 0.000 0.991 88 V HN 0.799 nan 8.190 nan 0.000 0.427 89 K N 3.212 123.667 120.400 0.092 0.000 2.507 89 K HA 0.420 4.740 4.320 -0.000 0.000 0.251 89 K C -0.640 176.007 176.600 0.079 0.000 0.943 89 K CA -0.467 55.835 56.287 0.025 0.000 0.794 89 K CB 1.315 33.770 32.500 -0.075 0.000 1.188 89 K HN 0.684 nan 8.250 nan 0.000 0.428 90 D N 3.171 123.602 120.400 0.052 0.000 2.870 90 D HA -0.176 4.464 4.640 -0.000 0.000 0.228 90 D C 0.567 176.926 176.300 0.099 0.000 1.147 90 D CA 1.764 55.811 54.000 0.079 0.000 0.757 90 D CB -1.116 39.735 40.800 0.085 0.000 1.091 90 D HN 1.109 nan 8.370 nan 0.000 0.429 91 G N -0.427 108.427 108.800 0.090 0.000 2.179 91 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 91 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 91 G C 0.354 175.305 174.900 0.085 0.000 0.977 91 G CA 0.740 45.895 45.100 0.092 0.000 0.641 91 G HN 0.533 nan 8.290 nan 0.000 0.533 92 R N -0.883 119.675 120.500 0.097 0.000 2.854 92 R HA 0.629 4.969 4.340 -0.000 0.000 0.271 92 R C 0.097 176.476 176.300 0.131 0.000 0.994 92 R CA -1.211 54.950 56.100 0.103 0.000 0.945 92 R CB 1.352 31.709 30.300 0.095 0.000 1.194 92 R HN 0.153 nan 8.270 nan 0.000 0.476 93 I N 2.649 123.291 120.570 0.120 0.000 2.578 93 I HA -0.082 4.087 4.170 -0.000 0.000 0.286 93 I C 1.005 177.207 176.117 0.143 0.000 1.126 93 I CA 0.329 61.709 61.300 0.132 0.000 1.380 93 I CB 0.111 38.176 38.000 0.108 0.000 1.408 93 I HN 0.602 nan 8.210 nan 0.000 0.532 94 F N 6.975 126.947 119.950 0.036 0.000 2.147 94 F HA 0.315 4.842 4.527 -0.000 0.000 0.291 94 F C 1.090 176.902 175.800 0.020 0.000 1.093 94 F CA 0.894 58.910 58.000 0.026 0.000 1.263 94 F CB 0.300 39.315 39.000 0.024 0.000 1.036 94 F HN 0.473 nan 8.300 nan 0.000 0.481 95 A N -0.430 122.448 122.820 0.097 0.000 2.586 95 A HA 0.604 4.924 4.320 -0.000 0.000 0.291 95 A C -1.680 175.954 177.584 0.082 0.000 1.062 95 A CA -0.595 51.432 52.037 -0.017 0.000 0.666 95 A CB 0.495 19.471 19.000 -0.041 0.000 1.281 95 A HN 0.090 nan 8.150 nan 0.000 0.421 96 I N 1.005 121.598 120.570 0.038 0.000 2.439 96 I HA 0.640 4.810 4.170 -0.000 0.000 0.283 96 I C 0.644 176.795 176.117 0.057 0.000 1.023 96 I CA 0.400 61.747 61.300 0.078 0.000 1.100 96 I CB 1.820 39.870 38.000 0.083 0.000 1.238 96 I HN 1.175 nan 8.210 nan 0.000 0.445 97 G N 5.351 114.197 108.800 0.077 0.000 2.623 97 G HA2 0.181 4.141 3.960 -0.000 0.000 0.085 97 G HA3 0.181 4.141 3.960 -0.000 0.000 0.085 97 G C -1.516 173.417 174.900 0.056 0.000 1.116 97 G CA -0.405 44.728 45.100 0.056 0.000 1.200 97 G HN 0.289 nan 8.290 nan 0.000 0.556 98 K N 1.274 121.702 120.400 0.047 0.000 2.425 98 K HA 0.717 5.037 4.320 -0.000 0.000 0.259 98 K C -0.264 176.366 176.600 0.051 0.000 0.978 98 K CA -0.225 56.085 56.287 0.038 0.000 0.883 98 K CB 1.081 33.589 32.500 0.014 0.000 1.110 98 K HN 0.779 nan 8.250 nan 0.000 0.436 99 A N 2.451 125.305 122.820 0.056 0.000 2.302 99 A HA 0.838 5.158 4.320 -0.000 0.000 0.285 99 A C 0.384 177.996 177.584 0.046 0.000 1.105 99 A CA 0.444 52.515 52.037 0.057 0.000 0.816 99 A CB 0.792 19.828 19.000 0.061 0.000 1.067 99 A HN 0.898 nan 8.150 nan 0.000 0.489 100 G N 0.192 109.017 108.800 0.041 0.000 2.356 100 G HA2 0.283 4.243 3.960 -0.000 0.000 0.266 100 G HA3 0.283 4.243 3.960 -0.000 0.000 0.266 100 G C -1.526 173.391 174.900 0.030 0.000 1.312 100 G CA -0.258 44.865 45.100 0.037 0.000 0.922 100 G HN 1.073 nan 8.290 nan 0.000 0.480 101 N N 0.790 119.507 118.700 0.028 0.000 2.443 101 N HA 0.612 5.352 4.740 -0.000 0.000 0.269 101 N C -1.728 173.795 175.510 0.022 0.000 0.985 101 N CA -2.282 50.782 53.050 0.023 0.000 0.921 101 N CB 2.531 41.031 38.487 0.023 0.000 1.195 101 N HN 0.013 nan 8.380 nan 0.000 0.492 102 P HA -0.041 nan 4.420 nan 0.000 0.221 102 P C 0.183 177.494 177.300 0.017 0.000 1.145 102 P CA 0.899 64.011 63.100 0.020 0.000 0.795 102 P CB 0.450 32.162 31.700 0.021 0.000 0.775 103 D N -0.747 119.662 120.400 0.016 0.000 2.144 103 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 103 D C 1.634 177.943 176.300 0.015 0.000 0.978 103 D CA 1.212 55.221 54.000 0.014 0.000 0.833 103 D CB -0.210 40.598 40.800 0.013 0.000 0.961 103 D HN 0.353 nan 8.370 nan 0.000 0.470 104 I N -3.692 116.888 120.570 0.017 0.000 4.439 104 I HA 0.253 4.423 4.170 -0.000 0.000 0.331 104 I C -0.031 176.097 176.117 0.019 0.000 1.345 104 I CA -0.406 60.905 61.300 0.018 0.000 1.193 104 I CB 0.393 38.405 38.000 0.019 0.000 1.221 104 I HN -0.313 nan 8.210 nan 0.000 0.429 105 Q N 3.162 122.973 119.800 0.019 0.000 2.348 105 Q HA 0.582 4.922 4.340 -0.000 0.000 0.271 105 Q C -2.602 173.407 176.000 0.015 0.000 1.067 105 Q CA -1.978 53.836 55.803 0.018 0.000 0.839 105 Q CB 2.360 31.111 28.738 0.021 0.000 1.354 105 Q HN 0.090 nan 8.270 nan 0.000 0.447 106 P HA 0.202 nan 4.420 nan 0.000 0.285 106 P C -1.053 176.251 177.300 0.005 0.000 1.269 106 P CA -0.345 62.760 63.100 0.008 0.000 0.844 106 P CB 0.764 32.467 31.700 0.005 0.000 1.094 107 N N -1.839 116.864 118.700 0.005 0.000 2.708 107 N HA -0.129 4.611 4.740 -0.000 0.000 0.249 107 N C -0.373 175.144 175.510 0.012 0.000 1.097 107 N CA 0.241 53.294 53.050 0.004 0.000 0.710 107 N CB -1.677 36.804 38.487 -0.009 0.000 1.032 107 N HN 0.153 nan 8.380 nan 0.000 0.551 108 V N 0.921 120.847 119.914 0.020 0.000 2.470 108 V HA 0.137 4.257 4.120 -0.000 0.000 0.276 108 V C 1.663 177.784 176.094 0.045 0.000 1.040 108 V CA 0.982 63.302 62.300 0.032 0.000 1.008 108 V CB 1.132 32.974 31.823 0.033 0.000 0.990 108 V HN 0.496 nan 8.190 nan 0.000 0.477 109 T N 1.610 116.199 114.554 0.059 0.000 3.010 109 T HA 0.399 4.749 4.350 -0.000 0.000 0.257 109 T C 0.264 175.056 174.700 0.152 0.000 1.020 109 T CA 0.176 62.326 62.100 0.084 0.000 0.938 109 T CB 0.067 68.969 68.868 0.056 0.000 1.049 109 T HN 0.356 nan 8.240 nan 0.000 0.522 110 I N 3.679 124.326 120.570 0.129 0.000 2.537 110 I HA 0.353 4.523 4.170 -0.000 0.000 0.276 110 I C -2.724 173.428 176.117 0.060 0.000 1.063 110 I CA -2.670 58.718 61.300 0.146 0.000 1.144 110 I CB 2.123 40.208 38.000 0.143 0.000 1.252 110 I HN -0.082 nan 8.210 nan 0.000 0.480 111 P HA 0.203 nan 4.420 nan 0.000 0.271 111 P C -0.500 176.776 177.300 -0.039 0.000 1.226 111 P CA 0.235 63.330 63.100 -0.008 0.000 0.765 111 P CB 1.111 32.801 31.700 -0.017 0.000 0.835 112 I N 3.040 123.601 120.570 -0.016 0.000 2.339 112 I HA 0.491 4.661 4.170 -0.000 0.000 0.290 112 I C 1.073 177.180 176.117 -0.016 0.000 0.994 112 I CA -0.086 61.203 61.300 -0.019 0.000 1.191 112 I CB 1.719 39.723 38.000 0.007 0.000 1.343 112 I HN 0.422 nan 8.210 nan 0.000 0.458 113 G N 3.067 111.849 108.800 -0.030 0.000 3.176 113 G HA2 0.546 4.506 3.960 -0.000 0.000 0.272 113 G HA3 0.546 4.506 3.960 -0.000 0.000 0.272 113 G C 0.610 175.496 174.900 -0.023 0.000 1.349 113 G CA 0.057 45.143 45.100 -0.023 0.000 0.953 113 G HN 0.586 nan 8.290 nan 0.000 0.559 114 A N -0.780 122.028 122.820 -0.019 0.000 1.978 114 A HA 0.238 4.558 4.320 -0.000 0.000 0.220 114 A C 2.327 179.891 177.584 -0.033 0.000 1.170 114 A CA 2.526 54.552 52.037 -0.019 0.000 0.636 114 A CB -0.623 18.368 19.000 -0.016 0.000 0.810 114 A HN 1.492 nan 8.150 nan 0.000 0.448 115 A N -0.797 121.997 122.820 -0.043 0.000 2.278 115 A HA 0.345 4.665 4.320 -0.000 0.000 0.212 115 A C 0.734 178.278 177.584 -0.065 0.000 1.213 115 A CA 0.551 52.556 52.037 -0.054 0.000 0.840 115 A CB -0.503 18.463 19.000 -0.057 0.000 0.866 115 A HN 0.275 nan 8.150 nan 0.000 0.489 116 T N 0.877 115.393 114.554 -0.064 0.000 2.767 116 T HA 0.427 4.777 4.350 -0.000 0.000 0.288 116 T C -0.276 174.369 174.700 -0.092 0.000 0.963 116 T CA -0.313 61.743 62.100 -0.073 0.000 1.019 116 T CB 1.481 70.312 68.868 -0.062 0.000 0.923 116 T HN 0.449 nan 8.240 nan 0.000 0.468 117 E N 2.334 122.472 120.200 -0.103 0.000 2.283 117 E HA 0.562 4.912 4.350 -0.000 0.000 0.267 117 E C -1.236 175.268 176.600 -0.160 0.000 1.045 117 E CA -0.687 55.628 56.400 -0.142 0.000 0.884 117 E CB 0.979 30.610 29.700 -0.115 0.000 1.106 117 E HN 0.318 nan 8.360 nan 0.000 0.408 118 V N 4.335 124.098 119.914 -0.252 0.000 2.588 118 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 118 V C -0.364 175.617 176.094 -0.188 0.000 1.042 118 V CA -0.663 61.499 62.300 -0.229 0.000 0.877 118 V CB 1.663 33.283 31.823 -0.339 0.000 0.996 118 V HN 0.663 nan 8.190 nan 0.000 0.425 119 I N 3.641 124.162 120.570 -0.082 0.000 2.382 119 I HA 0.560 4.730 4.170 -0.000 0.000 0.286 119 I C 0.503 176.626 176.117 0.009 0.000 1.002 119 I CA -0.632 60.646 61.300 -0.037 0.000 1.135 119 I CB 1.806 39.798 38.000 -0.014 0.000 1.288 119 I HN 0.720 nan 8.210 nan 0.000 0.448 120 A N 5.121 127.960 122.820 0.032 0.000 2.395 120 A HA 0.535 4.855 4.320 -0.000 0.000 0.286 120 A C 0.853 178.475 177.584 0.063 0.000 1.193 120 A CA -0.015 52.064 52.037 0.070 0.000 0.852 120 A CB 0.253 19.310 19.000 0.095 0.000 1.118 120 A HN 0.895 nan 8.150 nan 0.000 0.524 121 A N 2.901 125.766 122.820 0.075 0.000 2.430 121 A HA 0.262 4.581 4.320 -0.000 0.000 0.243 121 A C 0.712 178.352 177.584 0.094 0.000 1.254 121 A CA -0.200 51.886 52.037 0.082 0.000 0.914 121 A CB -0.092 18.960 19.000 0.088 0.000 0.998 121 A HN 0.821 nan 8.150 nan 0.000 0.515 122 E N 0.101 120.356 120.200 0.091 0.000 2.351 122 E HA 0.324 4.674 4.350 -0.000 0.000 0.266 122 E C 0.801 177.443 176.600 0.071 0.000 1.031 122 E CA 0.510 56.965 56.400 0.091 0.000 0.911 122 E CB 0.227 29.974 29.700 0.078 0.000 0.986 122 E HN 0.896 nan 8.360 nan 0.000 0.446 123 G N 2.921 111.772 108.800 0.084 0.000 2.175 123 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 123 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 123 G C -0.046 174.910 174.900 0.094 0.000 0.982 123 G CA 0.142 45.287 45.100 0.076 0.000 0.641 123 G HN 0.477 nan 8.290 nan 0.000 0.527 124 K N -0.053 120.412 120.400 0.108 0.000 2.267 124 K HA 0.727 5.047 4.320 -0.000 0.000 0.246 124 K C -0.117 176.576 176.600 0.156 0.000 0.954 124 K CA -0.852 55.520 56.287 0.141 0.000 0.824 124 K CB 2.171 34.751 32.500 0.133 0.000 1.167 124 K HN 0.205 nan 8.250 nan 0.000 0.431 125 I N 1.696 122.399 120.570 0.222 0.000 2.359 125 I HA 0.241 4.411 4.170 -0.000 0.000 0.294 125 I C -0.370 175.961 176.117 0.357 0.000 0.987 125 I CA -1.040 60.404 61.300 0.241 0.000 1.225 125 I CB 1.684 39.816 38.000 0.221 0.000 1.366 125 I HN 0.018 nan 8.210 nan 0.000 0.466 126 V N 4.919 124.995 119.914 0.270 0.000 2.495 126 V HA 0.595 4.715 4.120 -0.000 0.000 0.298 126 V C 0.129 176.392 176.094 0.283 0.000 1.031 126 V CA -0.369 62.087 62.300 0.260 0.000 0.871 126 V CB 1.943 33.865 31.823 0.165 0.000 0.988 126 V HN 0.906 nan 8.190 nan 0.000 0.432 127 T N 1.505 116.265 114.554 0.344 0.000 2.887 127 T HA 0.867 5.217 4.350 -0.000 0.000 0.292 127 T C -0.126 174.732 174.700 0.265 0.000 1.087 127 T CA -0.343 61.959 62.100 0.336 0.000 1.009 127 T CB 1.931 71.123 68.868 0.540 0.000 1.203 127 T HN 1.002 nan 8.240 nan 0.000 0.518 128 A N 0.314 123.276 122.820 0.237 0.000 2.346 128 A HA 0.700 5.020 4.320 -0.000 0.000 0.252 128 A C 0.930 178.660 177.584 0.244 0.000 1.089 128 A CA -0.148 52.014 52.037 0.209 0.000 0.797 128 A CB -0.614 18.500 19.000 0.190 0.000 1.047 128 A HN 1.379 nan 8.150 nan 0.000 0.494 129 G N -0.257 108.663 108.800 0.200 0.000 2.432 129 G HA2 0.484 4.444 3.960 -0.000 0.000 0.257 129 G HA3 0.484 4.444 3.960 -0.000 0.000 0.257 129 G C 0.545 175.600 174.900 0.258 0.000 1.238 129 G CA 0.183 45.406 45.100 0.205 0.000 0.838 129 G HN 1.137 nan 8.290 nan 0.000 0.547 130 G N -0.442 108.548 108.800 0.316 0.000 2.664 130 G HA2 0.427 4.387 3.960 -0.000 0.000 0.242 130 G HA3 0.427 4.387 3.960 -0.000 0.000 0.242 130 G C -0.278 174.769 174.900 0.245 0.000 1.225 130 G CA -0.437 44.893 45.100 0.384 0.000 0.849 130 G HN 0.637 nan 8.290 nan 0.000 0.581 131 I N 0.927 121.639 120.570 0.238 0.000 2.497 131 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 131 I C -1.263 174.935 176.117 0.135 0.000 1.060 131 I CA -0.690 60.707 61.300 0.162 0.000 1.071 131 I CB 2.092 40.175 38.000 0.138 0.000 1.216 131 I HN 0.313 nan 8.210 nan 0.000 0.442 132 D N 4.602 125.057 120.400 0.092 0.000 2.329 132 D HA 0.223 4.863 4.640 -0.000 0.000 0.232 132 D C 0.796 177.115 176.300 0.031 0.000 1.088 132 D CA -0.148 53.884 54.000 0.054 0.000 0.835 132 D CB 1.569 42.372 40.800 0.005 0.000 1.078 132 D HN 0.603 nan 8.370 nan 0.000 0.495 133 T N 0.261 114.850 114.554 0.059 0.000 3.186 133 T HA 0.132 4.482 4.350 -0.000 0.000 0.257 133 T C 0.564 175.290 174.700 0.043 0.000 1.029 133 T CA -0.174 61.942 62.100 0.026 0.000 0.916 133 T CB -0.448 68.477 68.868 0.096 0.000 1.041 133 T HN 0.490 nan 8.240 nan 0.000 0.562 134 H N 0.638 119.608 119.070 -0.168 0.000 2.535 134 H HA 0.445 5.001 4.556 -0.000 0.000 0.232 134 H C -0.764 174.406 175.328 -0.263 0.000 1.405 134 H CA -0.908 54.911 56.048 -0.382 0.000 1.224 134 H CB -0.043 29.339 29.762 -0.635 0.000 1.763 134 H HN 0.198 nan 8.280 nan 0.000 0.529 135 I N 1.991 122.490 120.570 -0.119 0.000 2.353 135 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 135 I C 0.278 176.186 176.117 -0.347 0.000 0.992 135 I CA -0.210 60.886 61.300 -0.340 0.000 1.268 135 I CB 1.054 38.596 38.000 -0.763 0.000 1.387 135 I HN 0.535 nan 8.210 nan 0.000 0.478 136 H N 5.545 124.436 119.070 -0.299 0.000 2.581 136 H HA 0.135 4.691 4.556 -0.000 0.000 0.308 136 H C -0.816 174.408 175.328 -0.173 0.000 1.040 136 H CA -0.359 55.610 56.048 -0.131 0.000 1.231 136 H CB 0.725 30.478 29.762 -0.014 0.000 1.396 136 H HN 0.548 nan 8.280 nan 0.000 0.467 137 W N 5.662 127.051 121.300 0.148 0.000 1.564 137 W HA 0.146 4.806 4.660 -0.000 0.000 0.480 137 W C 1.001 177.573 176.519 0.089 0.000 0.699 137 W CA -0.300 57.105 57.345 0.099 0.000 1.985 137 W CB -0.291 29.208 29.460 0.064 0.000 1.738 137 W HN 0.629 nan 8.180 nan 0.000 0.218 138 I N 1.330 122.061 120.570 0.270 0.000 2.716 138 I HA -0.059 4.111 4.170 -0.000 0.000 0.259 138 I C 1.035 177.265 176.117 0.188 0.000 1.172 138 I CA 0.589 62.012 61.300 0.205 0.000 1.478 138 I CB -0.128 37.988 38.000 0.193 0.000 1.104 138 I HN 0.257 nan 8.210 nan 0.000 0.439 139 C N -2.337 117.091 119.300 0.214 0.000 3.284 139 C HA 0.351 4.811 4.460 -0.000 0.000 0.338 139 C C -2.030 173.094 174.990 0.224 0.000 1.237 139 C CA -1.246 57.877 59.018 0.176 0.000 1.276 139 C CB 1.177 28.990 27.740 0.121 0.000 1.601 139 C HN -0.056 nan 8.230 nan 0.000 0.494 140 P HA -0.048 nan 4.420 nan 0.000 0.229 140 P C 1.042 178.435 177.300 0.157 0.000 1.160 140 P CA 1.442 64.641 63.100 0.165 0.000 0.777 140 P CB 0.241 31.986 31.700 0.076 0.000 0.814 141 Q N 0.185 120.056 119.800 0.119 0.000 2.291 141 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 141 Q C 2.361 178.418 176.000 0.096 0.000 0.976 141 Q CA 1.267 57.124 55.803 0.090 0.000 0.875 141 Q CB -0.813 27.963 28.738 0.063 0.000 0.927 141 Q HN 0.437 nan 8.270 nan 0.000 0.450 142 Q N -0.528 119.350 119.800 0.129 0.000 2.181 142 Q HA -0.153 4.187 4.340 -0.000 0.000 0.205 142 Q C 1.990 178.061 176.000 0.117 0.000 0.980 142 Q CA 1.227 57.090 55.803 0.101 0.000 0.862 142 Q CB -0.203 28.588 28.738 0.089 0.000 0.905 142 Q HN 0.498 nan 8.270 nan 0.000 0.429 143 A N 1.034 123.973 122.820 0.198 0.000 1.902 143 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 143 A C 1.882 179.524 177.584 0.096 0.000 1.181 143 A CA 1.653 53.802 52.037 0.186 0.000 0.623 143 A CB -0.452 18.677 19.000 0.214 0.000 0.818 143 A HN 0.435 nan 8.150 nan 0.000 0.443 144 E N -0.585 119.659 120.200 0.074 0.000 2.072 144 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 144 E C 1.965 178.570 176.600 0.008 0.000 0.985 144 E CA 1.303 57.726 56.400 0.039 0.000 0.801 144 E CB -0.112 29.613 29.700 0.042 0.000 0.750 144 E HN 0.559 nan 8.360 nan 0.000 0.452 145 E N 0.385 120.593 120.200 0.014 0.000 2.058 145 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 145 E C 1.752 178.334 176.600 -0.029 0.000 0.997 145 E CA 1.639 58.032 56.400 -0.010 0.000 0.801 145 E CB -0.333 29.367 29.700 -0.000 0.000 0.746 145 E HN 0.361 nan 8.360 nan 0.000 0.450 146 A N 0.135 122.950 122.820 -0.008 0.000 1.898 146 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 146 A C 2.202 179.777 177.584 -0.014 0.000 1.181 146 A CA 1.417 53.449 52.037 -0.009 0.000 0.620 146 A CB -0.806 18.201 19.000 0.012 0.000 0.819 146 A HN 0.358 nan 8.150 nan 0.000 0.442 147 L N -0.018 121.201 121.223 -0.006 0.000 2.012 147 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 147 L C 2.377 179.191 176.870 -0.095 0.000 1.073 147 L CA 1.877 56.705 54.840 -0.020 0.000 0.748 147 L CB -0.461 41.599 42.059 0.002 0.000 0.891 147 L HN 0.156 nan 8.230 nan 0.000 0.431 148 V N -0.420 119.398 119.914 -0.159 0.000 2.490 148 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 148 V C 2.617 178.508 176.094 -0.338 0.000 1.061 148 V CA 1.687 63.759 62.300 -0.380 0.000 1.064 148 V CB -0.806 30.717 31.823 -0.501 0.000 0.670 148 V HN 0.776 nan 8.190 nan 0.000 0.461 149 S N -0.484 115.125 115.700 -0.152 0.000 2.527 149 S HA 0.240 4.710 4.470 -0.000 0.000 0.222 149 S C 1.535 176.170 174.600 0.059 0.000 0.985 149 S CA 0.870 59.050 58.200 -0.033 0.000 0.921 149 S CB 0.654 63.850 63.200 -0.008 0.000 0.772 149 S HN 1.139 nan 8.310 nan 0.000 0.529 150 G N -0.171 108.612 108.800 -0.028 0.000 2.159 150 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.170 150 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.170 150 G C -0.188 174.767 174.900 0.092 0.000 1.007 150 G CA -0.184 44.924 45.100 0.013 0.000 0.672 150 G HN 0.588 nan 8.290 nan 0.000 0.507 151 V N 1.986 121.935 119.914 0.058 0.000 2.370 151 V HA 0.581 4.701 4.120 -0.000 0.000 0.279 151 V C 1.418 177.564 176.094 0.086 0.000 1.029 151 V CA 0.715 63.068 62.300 0.088 0.000 0.870 151 V CB 1.394 33.250 31.823 0.055 0.000 0.984 151 V HN 0.598 nan 8.190 nan 0.000 0.451 152 T N -0.251 114.372 114.554 0.116 0.000 3.001 152 T HA 0.155 4.505 4.350 -0.000 0.000 0.251 152 T C 0.609 175.396 174.700 0.144 0.000 1.040 152 T CA -0.014 62.154 62.100 0.113 0.000 0.985 152 T CB 0.312 69.244 68.868 0.107 0.000 1.011 152 T HN 0.533 nan 8.240 nan 0.000 0.509 153 T N 2.330 116.983 114.554 0.165 0.000 2.848 153 T HA 0.691 5.041 4.350 -0.000 0.000 0.285 153 T C -1.032 173.778 174.700 0.184 0.000 0.995 153 T CA -0.555 61.669 62.100 0.208 0.000 0.970 153 T CB 1.768 70.776 68.868 0.233 0.000 0.976 153 T HN 0.187 nan 8.240 nan 0.000 0.441 154 M N 3.124 122.864 119.600 0.234 0.000 2.204 154 M HA 0.567 5.047 4.480 -0.000 0.000 0.293 154 M C -1.201 175.257 176.300 0.263 0.000 0.994 154 M CA -0.838 54.580 55.300 0.197 0.000 0.925 154 M CB 2.290 35.028 32.600 0.230 0.000 1.577 154 M HN 0.249 nan 8.290 nan 0.000 0.439 155 V N 2.264 122.244 119.914 0.110 0.000 2.604 155 V HA 1.025 5.145 4.120 -0.000 0.000 0.305 155 V C 0.208 176.315 176.094 0.022 0.000 1.043 155 V CA -0.235 62.120 62.300 0.092 0.000 0.888 155 V CB 1.762 33.518 31.823 -0.111 0.000 0.995 155 V HN 1.074 nan 8.190 nan 0.000 0.429 156 G N 2.662 111.536 108.800 0.123 0.000 2.336 156 G HA2 0.626 4.586 3.960 -0.000 0.000 0.286 156 G HA3 0.626 4.586 3.960 -0.000 0.000 0.286 156 G C -0.645 174.379 174.900 0.206 0.000 1.269 156 G CA 0.138 45.252 45.100 0.024 0.000 0.873 156 G HN 1.167 nan 8.290 nan 0.000 0.494 157 G N -1.977 106.906 108.800 0.138 0.000 2.690 157 G HA2 1.021 4.981 3.960 -0.000 0.000 0.291 157 G HA3 1.021 4.981 3.960 -0.000 0.000 0.291 157 G C -0.219 174.868 174.900 0.312 0.000 1.403 157 G CA 0.360 45.645 45.100 0.307 0.000 0.864 157 G HN 2.250 nan 8.290 nan 0.000 0.480 158 G N -1.717 107.274 108.800 0.317 0.000 2.336 158 G HA2 0.537 4.497 3.960 -0.000 0.000 0.300 158 G HA3 0.537 4.497 3.960 -0.000 0.000 0.300 158 G C 0.106 175.087 174.900 0.135 0.000 1.375 158 G CA 0.987 46.226 45.100 0.232 0.000 0.885 158 G HN 1.671 nan 8.290 nan 0.000 0.599 159 T N -3.047 111.525 114.554 0.029 0.000 3.087 159 T HA 0.632 4.982 4.350 -0.000 0.000 0.283 159 T C 1.240 175.955 174.700 0.026 0.000 0.956 159 T CA 1.228 63.298 62.100 -0.050 0.000 0.894 159 T CB 0.575 69.177 68.868 -0.443 0.000 1.160 159 T HN 2.697 nan 8.240 nan 0.000 0.532 160 G N 2.452 111.289 108.800 0.061 0.000 2.298 160 G HA2 0.162 4.122 3.960 -0.000 0.000 0.309 160 G HA3 0.162 4.122 3.960 -0.000 0.000 0.309 160 G C -2.911 171.989 174.900 -0.000 0.000 1.279 160 G CA -0.414 44.728 45.100 0.071 0.000 1.042 160 G HN 0.065 nan 8.290 nan 0.000 0.480 161 P HA 0.471 nan 4.420 nan 0.000 0.231 161 P C 0.013 177.134 177.300 -0.300 0.000 1.756 161 P CA 1.034 64.099 63.100 -0.058 0.000 0.990 161 P CB 0.012 31.802 31.700 0.149 0.000 1.973 162 A N 1.141 123.695 122.820 -0.444 0.000 2.340 162 A HA 0.634 4.954 4.320 -0.000 0.000 0.331 162 A C 1.576 178.884 177.584 -0.461 0.000 1.140 162 A CA -0.240 51.609 52.037 -0.315 0.000 0.801 162 A CB 1.181 20.087 19.000 -0.158 0.000 1.234 162 A HN 0.217 nan 8.150 nan 0.000 0.469 163 A N 1.799 124.502 122.820 -0.195 0.000 1.948 163 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 163 A C 2.150 179.676 177.584 -0.096 0.000 1.177 163 A CA 2.700 54.696 52.037 -0.068 0.000 0.636 163 A CB -1.215 17.776 19.000 -0.015 0.000 0.815 163 A HN 1.521 nan 8.150 nan 0.000 0.449 164 G N -1.317 107.449 108.800 -0.057 0.000 2.421 164 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 164 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 164 G C 1.572 176.512 174.900 0.067 0.000 1.171 164 G CA 1.639 46.768 45.100 0.049 0.000 0.775 164 G HN 0.445 nan 8.290 nan 0.000 0.543 165 T N 0.154 114.721 114.554 0.021 0.000 2.867 165 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 165 T C 2.111 176.930 174.700 0.199 0.000 1.057 165 T CA 1.126 63.283 62.100 0.095 0.000 1.136 165 T CB -0.284 68.602 68.868 0.030 0.000 0.874 165 T HN 0.293 nan 8.240 nan 0.000 0.466 166 H N 1.127 120.243 119.070 0.076 0.000 2.387 166 H HA 0.138 4.694 4.556 -0.000 0.000 0.299 166 H C 2.453 177.751 175.328 -0.050 0.000 1.090 166 H CA 1.320 57.361 56.048 -0.011 0.000 1.332 166 H CB -0.496 29.239 29.762 -0.045 0.000 1.386 166 H HN 0.433 nan 8.280 nan 0.000 0.516 167 A N 0.248 123.129 122.820 0.101 0.000 1.924 167 A HA 0.053 4.373 4.320 -0.000 0.000 0.211 167 A C 1.360 178.979 177.584 0.058 0.000 1.198 167 A CA 1.069 53.109 52.037 0.004 0.000 0.657 167 A CB -0.117 18.773 19.000 -0.183 0.000 0.852 167 A HN 0.454 nan 8.150 nan 0.000 0.454 168 T N -2.402 112.158 114.554 0.010 0.000 2.908 168 T HA 0.462 4.812 4.350 -0.000 0.000 0.290 168 T C -0.062 174.608 174.700 -0.049 0.000 1.034 168 T CA 0.187 62.239 62.100 -0.081 0.000 1.010 168 T CB 1.353 70.146 68.868 -0.125 0.000 1.068 168 T HN 0.320 nan 8.240 nan 0.000 0.481 169 T N 0.104 114.554 114.554 -0.173 0.000 4.058 169 T HA 0.450 4.800 4.350 -0.000 0.000 0.252 169 T C -0.003 174.709 174.700 0.021 0.000 1.264 169 T CA -0.720 61.236 62.100 -0.240 0.000 1.094 169 T CB -1.901 66.864 68.868 -0.171 0.000 1.316 169 T HN 0.697 nan 8.240 nan 0.000 0.872 170 C N 1.883 121.232 119.300 0.083 0.000 2.441 170 C HA 0.620 5.080 4.460 -0.000 0.000 0.318 170 C C 0.523 175.551 174.990 0.062 0.000 1.222 170 C CA -0.857 58.209 59.018 0.080 0.000 1.474 170 C CB 1.304 29.087 27.740 0.071 0.000 2.125 170 C HN 0.679 nan 8.230 nan 0.000 0.479 171 T N 4.450 119.035 114.554 0.051 0.000 2.929 171 T HA 0.310 4.660 4.350 -0.000 0.000 0.331 171 T C -2.705 172.006 174.700 0.019 0.000 1.120 171 T CA -0.785 61.345 62.100 0.049 0.000 0.973 171 T CB 0.324 69.247 68.868 0.092 0.000 1.036 171 T HN 0.420 nan 8.240 nan 0.000 0.502 172 P HA 0.386 nan 4.420 nan 0.000 0.276 172 P C 0.683 178.042 177.300 0.097 0.000 1.264 172 P CA 0.657 63.730 63.100 -0.044 0.000 0.769 172 P CB 0.304 31.923 31.700 -0.135 0.000 0.840 173 G N 5.419 114.248 108.800 0.049 0.000 2.819 173 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.682 173 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.682 173 G C -2.028 172.946 174.900 0.124 0.000 1.481 173 G CA -0.842 44.309 45.100 0.086 0.000 0.904 173 G HN 0.252 nan 8.290 nan 0.000 0.563 174 P HA -0.170 nan 4.420 nan 0.000 0.215 174 P C 1.702 179.058 177.300 0.094 0.000 1.163 174 P CA 2.334 65.481 63.100 0.080 0.000 0.894 174 P CB -0.031 31.712 31.700 0.072 0.000 0.791 175 W N -1.056 120.218 121.300 -0.043 0.000 2.332 175 W HA -0.220 4.440 4.660 -0.000 0.000 0.321 175 W C 2.387 178.828 176.519 -0.130 0.000 1.219 175 W CA 1.565 58.841 57.345 -0.116 0.000 1.277 175 W CB -1.226 28.119 29.460 -0.191 0.000 1.161 175 W HN -0.060 nan 8.180 nan 0.000 0.476 176 Y N -0.030 120.405 120.300 0.225 0.000 2.224 176 Y HA -0.249 4.301 4.550 -0.000 0.000 0.289 176 Y C 2.400 178.254 175.900 -0.077 0.000 1.146 176 Y CA 1.850 59.985 58.100 0.059 0.000 1.182 176 Y CB -0.590 37.963 38.460 0.155 0.000 0.983 176 Y HN -0.092 nan 8.280 nan 0.000 0.524 177 I N -0.963 119.674 120.570 0.112 0.000 2.127 177 I HA -0.382 3.788 4.170 -0.000 0.000 0.241 177 I C 2.386 178.462 176.117 -0.067 0.000 1.075 177 I CA 1.555 62.872 61.300 0.028 0.000 1.334 177 I CB -0.568 37.453 38.000 0.034 0.000 1.040 177 I HN 0.083 nan 8.210 nan 0.000 0.405 178 S N 0.268 115.891 115.700 -0.128 0.000 2.359 178 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 178 S C 2.088 176.526 174.600 -0.269 0.000 1.035 178 S CA 1.432 59.514 58.200 -0.196 0.000 1.018 178 S CB -0.322 62.730 63.200 -0.246 0.000 0.876 178 S HN 0.268 nan 8.310 nan 0.000 0.448 179 R N 0.910 121.167 120.500 -0.405 0.000 2.091 179 R HA 0.115 4.455 4.340 -0.000 0.000 0.238 179 R C 2.261 178.425 176.300 -0.227 0.000 1.136 179 R CA 1.306 57.157 56.100 -0.416 0.000 0.959 179 R CB -0.373 29.548 30.300 -0.631 0.000 0.856 179 R HN 0.318 nan 8.270 nan 0.000 0.437 180 M N -0.305 119.203 119.600 -0.153 0.000 2.319 180 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 180 M C 1.977 178.167 176.300 -0.183 0.000 1.068 180 M CA 1.177 56.384 55.300 -0.155 0.000 1.118 180 M CB -0.496 32.031 32.600 -0.122 0.000 1.395 180 M HN 0.169 nan 8.290 nan 0.000 0.435 181 L N -0.456 120.678 121.223 -0.149 0.000 2.109 181 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 181 L C 2.468 179.252 176.870 -0.145 0.000 1.086 181 L CA 1.060 55.821 54.840 -0.132 0.000 0.760 181 L CB -0.391 41.607 42.059 -0.102 0.000 0.910 181 L HN 0.383 nan 8.230 nan 0.000 0.437 182 Q N -0.409 119.298 119.800 -0.155 0.000 2.083 182 Q HA -0.122 4.218 4.340 -0.000 0.000 0.198 182 Q C 2.422 178.343 176.000 -0.132 0.000 0.969 182 Q CA 1.382 57.097 55.803 -0.146 0.000 0.838 182 Q CB -0.185 28.459 28.738 -0.156 0.000 0.900 182 Q HN 0.521 nan 8.270 nan 0.000 0.436 183 A N 1.231 123.965 122.820 -0.144 0.000 1.972 183 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 183 A C 2.293 179.791 177.584 -0.143 0.000 1.169 183 A CA 1.385 53.344 52.037 -0.130 0.000 0.635 183 A CB -0.655 18.259 19.000 -0.143 0.000 0.810 183 A HN 0.381 nan 8.150 nan 0.000 0.446 184 A N 0.076 122.786 122.820 -0.184 0.000 2.024 184 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 184 A C 1.628 179.157 177.584 -0.092 0.000 1.164 184 A CA 1.805 53.731 52.037 -0.185 0.000 0.643 184 A CB -0.534 18.347 19.000 -0.199 0.000 0.806 184 A HN 0.448 nan 8.150 nan 0.000 0.451 185 D N -0.247 120.113 120.400 -0.067 0.000 2.309 185 D HA -0.049 4.591 4.640 -0.000 0.000 0.212 185 D C 1.821 178.206 176.300 0.142 0.000 0.968 185 D CA 1.239 55.249 54.000 0.017 0.000 0.882 185 D CB -0.090 40.646 40.800 -0.108 0.000 0.918 185 D HN 0.390 nan 8.370 nan 0.000 0.503 186 S N -0.400 115.331 115.700 0.051 0.000 2.496 186 S HA 0.100 4.570 4.470 -0.000 0.000 0.224 186 S C 0.970 175.579 174.600 0.014 0.000 0.996 186 S CA -0.021 58.203 58.200 0.040 0.000 0.927 186 S CB 0.477 63.682 63.200 0.009 0.000 0.774 186 S HN 0.188 nan 8.310 nan 0.000 0.524 187 L N 3.078 124.301 121.223 -0.001 0.000 2.289 187 L HA 0.325 4.664 4.340 -0.000 0.000 0.285 187 L C -1.910 174.979 176.870 0.031 0.000 1.049 187 L CA -2.060 52.786 54.840 0.010 0.000 0.804 187 L CB 0.898 42.947 42.059 -0.018 0.000 1.195 187 L HN -0.127 nan 8.230 nan 0.000 0.428 188 P HA 0.022 nan 4.420 nan 0.000 0.258 188 P C -0.480 176.855 177.300 0.059 0.000 1.559 188 P CA 0.270 63.394 63.100 0.041 0.000 0.855 188 P CB -0.121 31.597 31.700 0.031 0.000 1.594 189 V N -3.637 116.324 119.914 0.077 0.000 3.078 189 V HA 0.542 4.662 4.120 -0.000 0.000 0.311 189 V C -0.356 175.797 176.094 0.099 0.000 1.138 189 V CA -1.397 60.967 62.300 0.106 0.000 1.007 189 V CB 1.892 33.812 31.823 0.162 0.000 1.045 189 V HN -0.163 nan 8.190 nan 0.000 0.432 190 N N 1.781 120.552 118.700 0.118 0.000 2.530 190 N HA 0.595 5.335 4.740 -0.000 0.000 0.273 190 N C -0.782 174.858 175.510 0.216 0.000 1.173 190 N CA 0.082 53.187 53.050 0.093 0.000 0.967 190 N CB 1.500 40.081 38.487 0.157 0.000 1.109 190 N HN 0.721 nan 8.380 nan 0.000 0.453 191 I N -0.032 120.642 120.570 0.172 0.000 2.647 191 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 191 I C 0.282 176.613 176.117 0.357 0.000 1.078 191 I CA -0.895 60.570 61.300 0.275 0.000 1.048 191 I CB 2.454 40.524 38.000 0.116 0.000 1.239 191 I HN 0.419 nan 8.210 nan 0.000 0.421 192 G N 5.784 114.817 108.800 0.389 0.000 2.638 192 G HA2 0.747 4.707 3.960 -0.000 0.000 0.302 192 G HA3 0.747 4.707 3.960 -0.000 0.000 0.302 192 G C -1.428 173.628 174.900 0.260 0.000 1.365 192 G CA -0.466 44.834 45.100 0.333 0.000 0.987 192 G HN 0.382 nan 8.290 nan 0.000 0.495 193 L N 1.094 122.435 121.223 0.197 0.000 2.334 193 L HA 0.602 4.942 4.340 -0.000 0.000 0.273 193 L C -0.362 176.596 176.870 0.146 0.000 1.013 193 L CA -0.928 54.027 54.840 0.192 0.000 0.816 193 L CB 2.144 44.279 42.059 0.127 0.000 1.278 193 L HN 0.211 nan 8.230 nan 0.000 0.431 194 L N 1.393 122.703 121.223 0.146 0.000 2.322 194 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 194 L C 0.498 177.411 176.870 0.071 0.000 1.014 194 L CA -0.444 54.455 54.840 0.097 0.000 0.815 194 L CB 1.719 43.831 42.059 0.089 0.000 1.247 194 L HN 0.672 nan 8.230 nan 0.000 0.421 195 G N 1.368 110.190 108.800 0.035 0.000 2.531 195 G HA2 0.284 4.244 3.960 -0.000 0.000 0.313 195 G HA3 0.284 4.244 3.960 -0.000 0.000 0.313 195 G C -0.919 173.955 174.900 -0.043 0.000 1.238 195 G CA -0.592 44.509 45.100 0.002 0.000 0.994 195 G HN 0.529 nan 8.290 nan 0.000 0.493 196 K N 0.057 120.387 120.400 -0.116 0.000 2.310 196 K HA 0.279 4.599 4.320 -0.000 0.000 0.290 196 K C 1.068 177.576 176.600 -0.154 0.000 1.077 196 K CA -0.016 56.141 56.287 -0.216 0.000 0.922 196 K CB 0.516 32.728 32.500 -0.480 0.000 1.057 196 K HN 0.443 nan 8.250 nan 0.000 0.479 197 G N 3.548 112.292 108.800 -0.093 0.000 3.042 197 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.212 197 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.212 197 G C -0.073 174.798 174.900 -0.048 0.000 1.166 197 G CA -0.303 44.761 45.100 -0.060 0.000 0.767 197 G HN 0.629 nan 8.290 nan 0.000 0.546 198 N N 0.864 119.528 118.700 -0.061 0.000 2.739 198 N HA 0.418 5.158 4.740 -0.000 0.000 0.266 198 N C -0.898 174.594 175.510 -0.030 0.000 1.168 198 N CA 0.103 53.147 53.050 -0.009 0.000 1.055 198 N CB 1.309 39.848 38.487 0.087 0.000 1.393 198 N HN 0.031 nan 8.380 nan 0.000 0.514 199 V N -0.943 118.956 119.914 -0.025 0.000 3.120 199 V HA 0.354 4.474 4.120 -0.000 0.000 0.303 199 V C 0.296 176.382 176.094 -0.013 0.000 1.238 199 V CA -0.931 61.355 62.300 -0.024 0.000 1.008 199 V CB 2.116 33.916 31.823 -0.040 0.000 1.064 199 V HN 0.246 nan 8.190 nan 0.000 0.434 200 S N 0.669 116.364 115.700 -0.008 0.000 2.575 200 S HA 0.172 4.642 4.470 -0.000 0.000 0.237 200 S C 0.181 174.776 174.600 -0.009 0.000 0.975 200 S CA 0.034 58.231 58.200 -0.006 0.000 0.960 200 S CB -0.049 63.150 63.200 -0.001 0.000 0.822 200 S HN 0.787 nan 8.310 nan 0.000 0.472 201 Q N 1.634 121.426 119.800 -0.013 0.000 2.363 201 Q HA 0.413 4.753 4.340 -0.000 0.000 0.265 201 Q C -2.436 173.555 176.000 -0.015 0.000 1.032 201 Q CA -2.165 53.630 55.803 -0.013 0.000 0.746 201 Q CB 1.480 30.210 28.738 -0.013 0.000 1.237 201 Q HN -0.085 nan 8.270 nan 0.000 0.475 202 P HA -0.171 nan 4.420 nan 0.000 0.216 202 P C 0.205 177.497 177.300 -0.014 0.000 1.153 202 P CA 1.277 64.368 63.100 -0.014 0.000 0.858 202 P CB 0.380 32.073 31.700 -0.012 0.000 0.789 203 D N -0.743 119.650 120.400 -0.012 0.000 2.178 203 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 203 D C 1.902 178.194 176.300 -0.012 0.000 0.980 203 D CA 1.465 55.459 54.000 -0.010 0.000 0.842 203 D CB -0.485 40.310 40.800 -0.008 0.000 0.948 203 D HN 0.111 nan 8.370 nan 0.000 0.472 204 A N 0.277 123.087 122.820 -0.017 0.000 2.067 204 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 204 A C 2.296 179.865 177.584 -0.026 0.000 1.158 204 A CA 0.629 52.653 52.037 -0.022 0.000 0.661 204 A CB -0.330 18.652 19.000 -0.029 0.000 0.801 204 A HN 0.191 nan 8.150 nan 0.000 0.452 205 L N -1.792 119.417 121.223 -0.024 0.000 2.168 205 L HA 0.009 4.349 4.340 -0.000 0.000 0.203 205 L C 2.703 179.565 176.870 -0.014 0.000 1.078 205 L CA 0.554 55.379 54.840 -0.024 0.000 0.780 205 L CB -0.413 41.631 42.059 -0.025 0.000 0.939 205 L HN 0.288 nan 8.230 nan 0.000 0.451 206 R N 0.395 120.888 120.500 -0.011 0.000 2.105 206 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 206 R C 2.084 178.382 176.300 -0.002 0.000 1.135 206 R CA 1.332 57.428 56.100 -0.006 0.000 0.967 206 R CB -0.221 30.075 30.300 -0.006 0.000 0.861 206 R HN 0.439 nan 8.270 nan 0.000 0.442 207 E N 0.700 120.898 120.200 -0.003 0.000 2.058 207 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 207 E C 2.136 178.740 176.600 0.006 0.000 0.997 207 E CA 1.273 57.675 56.400 0.002 0.000 0.801 207 E CB -0.038 29.663 29.700 0.002 0.000 0.746 207 E HN 0.437 nan 8.360 nan 0.000 0.450 208 Q N 0.282 120.084 119.800 0.002 0.000 2.084 208 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 208 Q C 2.424 178.431 176.000 0.012 0.000 0.978 208 Q CA 1.361 57.168 55.803 0.007 0.000 0.844 208 Q CB -0.014 28.722 28.738 -0.003 0.000 0.898 208 Q HN 0.160 nan 8.270 nan 0.000 0.426 209 V N 1.016 120.935 119.914 0.009 0.000 2.307 209 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 209 V C 2.284 178.387 176.094 0.015 0.000 1.045 209 V CA 1.789 64.098 62.300 0.015 0.000 1.024 209 V CB -1.014 30.816 31.823 0.010 0.000 0.651 209 V HN 0.381 nan 8.190 nan 0.000 0.449 210 A N -0.057 122.769 122.820 0.010 0.000 2.019 210 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 210 A C 2.310 179.898 177.584 0.008 0.000 1.164 210 A CA 1.893 53.935 52.037 0.008 0.000 0.644 210 A CB -0.562 18.441 19.000 0.005 0.000 0.805 210 A HN 0.585 nan 8.150 nan 0.000 0.449 211 A N -2.231 120.594 122.820 0.009 0.000 2.067 211 A HA 0.400 4.720 4.320 -0.000 0.000 0.217 211 A C 1.768 179.354 177.584 0.003 0.000 1.156 211 A CA 1.680 53.720 52.037 0.005 0.000 0.683 211 A CB -0.349 18.657 19.000 0.010 0.000 0.808 211 A HN 1.586 nan 8.150 nan 0.000 0.455 212 G N -1.774 107.035 108.800 0.015 0.000 2.935 212 G HA2 0.061 4.021 3.960 -0.000 0.000 0.213 212 G HA3 0.061 4.021 3.960 -0.000 0.000 0.213 212 G C 0.298 175.225 174.900 0.045 0.000 0.984 212 G CA 0.059 45.173 45.100 0.023 0.000 0.790 212 G HN 1.349 nan 8.290 nan 0.000 0.538 213 V N 1.112 121.053 119.914 0.046 0.000 2.811 213 V HA 0.612 4.732 4.120 -0.000 0.000 0.302 213 V C 1.632 177.771 176.094 0.075 0.000 1.063 213 V CA 0.134 62.473 62.300 0.064 0.000 1.088 213 V CB 1.156 33.011 31.823 0.053 0.000 0.982 213 V HN 0.794 nan 8.190 nan 0.000 0.485 214 I N 0.535 121.165 120.570 0.101 0.000 3.928 214 I HA 0.756 4.926 4.170 -0.000 0.000 0.335 214 I C 0.655 176.837 176.117 0.108 0.000 1.325 214 I CA 0.362 61.727 61.300 0.107 0.000 1.107 214 I CB -0.207 37.872 38.000 0.132 0.000 1.014 214 I HN 0.888 nan 8.210 nan 0.000 0.400 215 G N 0.809 109.665 108.800 0.094 0.000 2.495 215 G HA2 0.634 4.594 3.960 -0.000 0.000 0.294 215 G HA3 0.634 4.594 3.960 -0.000 0.000 0.294 215 G C -1.670 173.256 174.900 0.042 0.000 1.397 215 G CA -0.697 44.453 45.100 0.083 0.000 0.790 215 G HN 0.090 nan 8.290 nan 0.000 0.486 219 H N 5.577 124.723 119.070 0.126 0.000 2.600 219 H HA 0.373 4.929 4.556 -0.000 0.000 0.357 219 H C 0.590 175.911 175.328 -0.012 0.000 1.106 219 H CA -0.311 55.774 56.048 0.061 0.000 1.193 219 H CB 2.387 32.231 29.762 0.137 0.000 1.594 219 H HN 0.851 nan 8.280 nan 0.000 0.526 220 E N 2.339 122.388 120.200 -0.251 0.000 2.209 220 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 220 E C 0.086 176.691 176.600 0.007 0.000 0.993 220 E CA 1.655 57.993 56.400 -0.103 0.000 0.819 220 E CB 0.156 29.757 29.700 -0.165 0.000 0.745 220 E HN 0.471 nan 8.360 nan 0.000 0.477 221 D N 0.107 120.581 120.400 0.123 0.000 2.263 221 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 221 D C 0.630 176.801 176.300 -0.216 0.000 0.971 221 D CA 0.985 54.902 54.000 -0.139 0.000 0.867 221 D CB -0.207 40.359 40.800 -0.391 0.000 0.929 221 D HN 0.493 nan 8.370 nan 0.000 0.492 222 W N 0.189 121.521 121.300 0.053 0.000 3.220 222 W HA 0.403 5.063 4.660 -0.000 0.000 0.328 222 W C 0.588 177.114 176.519 0.012 0.000 1.205 222 W CA -0.037 57.319 57.345 0.018 0.000 1.773 222 W CB 0.855 30.324 29.460 0.015 0.000 1.086 222 W HN -0.069 nan 8.180 nan 0.000 0.622 223 G N 1.247 110.159 108.800 0.186 0.000 2.721 223 G HA2 0.089 4.049 3.960 -0.000 0.000 0.462 223 G HA3 0.089 4.049 3.960 -0.000 0.000 0.462 223 G C -0.264 174.686 174.900 0.084 0.000 1.062 223 G CA -0.639 44.524 45.100 0.104 0.000 1.233 223 G HN 0.390 nan 8.290 nan 0.000 0.545 224 A N 2.217 125.066 122.820 0.048 0.000 3.091 224 A HA 0.663 4.983 4.320 -0.000 0.000 0.264 224 A C 1.267 178.868 177.584 0.028 0.000 1.673 224 A CA 0.863 52.921 52.037 0.035 0.000 1.362 224 A CB -0.546 18.461 19.000 0.012 0.000 1.137 224 A HN 2.017 nan 8.150 nan 0.000 0.617 225 T N -2.202 112.370 114.554 0.031 0.000 2.899 225 T HA 0.448 4.798 4.350 -0.000 0.000 0.284 225 T C -1.857 172.858 174.700 0.025 0.000 1.004 225 T CA -1.694 60.421 62.100 0.025 0.000 1.043 225 T CB 1.178 70.058 68.868 0.020 0.000 1.013 225 T HN 0.084 nan 8.240 nan 0.000 0.518 226 P HA -0.067 nan 4.420 nan 0.000 0.215 226 P C 1.696 179.000 177.300 0.007 0.000 1.153 226 P CA 1.561 64.671 63.100 0.015 0.000 0.853 226 P CB -0.263 31.444 31.700 0.010 0.000 0.788 227 A N 0.014 122.838 122.820 0.006 0.000 1.858 227 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 227 A C 2.341 179.926 177.584 0.003 0.000 1.190 227 A CA 2.322 54.360 52.037 0.003 0.000 0.617 227 A CB -1.671 17.331 19.000 0.003 0.000 0.827 227 A HN 0.192 nan 8.150 nan 0.000 0.443 228 A N -0.309 122.516 122.820 0.008 0.000 1.902 228 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 228 A C 2.150 179.735 177.584 0.002 0.000 1.181 228 A CA 1.540 53.581 52.037 0.008 0.000 0.623 228 A CB -0.612 18.401 19.000 0.022 0.000 0.818 228 A HN 0.505 nan 8.150 nan 0.000 0.443 229 I N -0.332 120.240 120.570 0.004 0.000 2.179 229 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 229 I C 2.356 178.465 176.117 -0.013 0.000 1.088 229 I CA 1.919 63.217 61.300 -0.005 0.000 1.357 229 I CB -0.349 37.651 38.000 0.001 0.000 1.051 229 I HN 0.393 nan 8.210 nan 0.000 0.409 230 D N 0.147 120.541 120.400 -0.010 0.000 2.123 230 D HA -0.242 4.398 4.640 -0.000 0.000 0.196 230 D C 2.302 178.593 176.300 -0.015 0.000 0.992 230 D CA 1.300 55.292 54.000 -0.013 0.000 0.833 230 D CB -0.251 40.543 40.800 -0.010 0.000 0.954 230 D HN 0.398 nan 8.370 nan 0.000 0.455 231 C N 0.088 119.381 119.300 -0.013 0.000 2.413 231 C HA 0.030 4.490 4.460 -0.000 0.000 0.276 231 C C 2.884 177.863 174.990 -0.019 0.000 1.236 231 C CA 1.636 60.645 59.018 -0.014 0.000 1.735 231 C CB -1.470 26.262 27.740 -0.012 0.000 2.031 231 C HN 0.432 nan 8.230 nan 0.000 0.474 232 A N 0.015 122.822 122.820 -0.021 0.000 1.902 232 A HA -0.041 4.278 4.320 -0.000 0.000 0.217 232 A C 2.176 179.742 177.584 -0.030 0.000 1.181 232 A CA 1.694 53.715 52.037 -0.027 0.000 0.623 232 A CB -0.699 18.282 19.000 -0.031 0.000 0.818 232 A HN 0.669 nan 8.150 nan 0.000 0.443 233 L N -0.735 120.469 121.223 -0.031 0.000 2.201 233 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 233 L C 2.672 179.525 176.870 -0.028 0.000 1.105 233 L CA 1.502 56.321 54.840 -0.034 0.000 0.775 233 L CB -0.612 41.426 42.059 -0.036 0.000 0.913 233 L HN 0.347 nan 8.230 nan 0.000 0.440 234 T N -0.750 113.790 114.554 -0.023 0.000 2.777 234 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 234 T C 1.979 176.668 174.700 -0.019 0.000 1.040 234 T CA 1.222 63.310 62.100 -0.020 0.000 1.141 234 T CB -0.069 68.790 68.868 -0.016 0.000 0.868 234 T HN 0.062 nan 8.240 nan 0.000 0.444 235 V N 1.712 121.614 119.914 -0.019 0.000 2.358 235 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 235 V C 2.886 178.969 176.094 -0.018 0.000 1.047 235 V CA 1.517 63.806 62.300 -0.017 0.000 1.035 235 V CB -1.201 30.612 31.823 -0.017 0.000 0.658 235 V HN 0.500 nan 8.190 nan 0.000 0.452 236 A N -0.066 122.740 122.820 -0.024 0.000 1.908 236 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 236 A C 2.012 179.580 177.584 -0.026 0.000 1.181 236 A CA 2.130 54.151 52.037 -0.027 0.000 0.627 236 A CB -0.665 18.313 19.000 -0.038 0.000 0.818 236 A HN 0.511 nan 8.150 nan 0.000 0.445 237 D N -0.308 120.076 120.400 -0.027 0.000 2.144 237 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 237 D C 2.037 178.325 176.300 -0.021 0.000 0.984 237 D CA 1.628 55.612 54.000 -0.025 0.000 0.834 237 D CB -0.228 40.558 40.800 -0.024 0.000 0.955 237 D HN 0.883 nan 8.370 nan 0.000 0.465 238 E N -0.676 119.513 120.200 -0.017 0.000 2.400 238 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 238 E C 1.515 178.108 176.600 -0.012 0.000 1.012 238 E CA 0.249 56.640 56.400 -0.014 0.000 0.875 238 E CB -0.007 29.686 29.700 -0.012 0.000 0.859 238 E HN 0.208 nan 8.360 nan 0.000 0.498 239 M N 0.911 120.505 119.600 -0.011 0.000 2.333 239 M HA 0.129 4.609 4.480 -0.000 0.000 0.257 239 M C -0.249 176.048 176.300 -0.005 0.000 1.078 239 M CA -0.078 55.219 55.300 -0.006 0.000 1.005 239 M CB 0.471 33.069 32.600 -0.002 0.000 1.444 239 M HN -0.101 nan 8.290 nan 0.000 0.496 240 D N 2.955 123.348 120.400 -0.012 0.000 2.689 240 D HA -0.157 4.483 4.640 -0.000 0.000 0.237 240 D C -0.965 175.330 176.300 -0.009 0.000 1.148 240 D CA 0.665 54.655 54.000 -0.016 0.000 0.656 240 D CB -0.816 39.974 40.800 -0.017 0.000 1.050 240 D HN 0.520 nan 8.370 nan 0.000 0.426 241 I N -2.567 117.997 120.570 -0.010 0.000 2.957 241 I HA 0.698 4.868 4.170 -0.000 0.000 0.310 241 I C 0.080 176.181 176.117 -0.026 0.000 1.063 241 I CA -1.134 60.166 61.300 0.001 0.000 1.033 241 I CB 1.502 39.511 38.000 0.016 0.000 1.230 241 I HN -0.141 nan 8.210 nan 0.000 0.447 242 Q N 1.883 121.666 119.800 -0.028 0.000 2.214 242 Q HA 0.732 5.072 4.340 -0.000 0.000 0.251 242 Q C -1.441 174.510 176.000 -0.081 0.000 0.936 242 Q CA -0.604 55.137 55.803 -0.103 0.000 0.894 242 Q CB 1.884 30.459 28.738 -0.271 0.000 1.252 242 Q HN 0.660 nan 8.270 nan 0.000 0.448 243 V N 1.921 121.763 119.914 -0.120 0.000 2.555 243 V HA 0.888 5.008 4.120 -0.000 0.000 0.302 243 V C -0.743 175.222 176.094 -0.215 0.000 1.038 243 V CA -0.592 61.631 62.300 -0.129 0.000 0.887 243 V CB 1.500 33.259 31.823 -0.106 0.000 0.991 243 V HN 0.865 nan 8.190 nan 0.000 0.434 244 A N 4.638 127.253 122.820 -0.342 0.000 2.342 244 A HA 0.914 5.234 4.320 -0.000 0.000 0.323 244 A C -1.276 175.931 177.584 -0.629 0.000 1.125 244 A CA -0.516 51.066 52.037 -0.758 0.000 0.785 244 A CB 1.420 19.619 19.000 -1.334 0.000 1.221 244 A HN 0.828 nan 8.150 nan 0.000 0.463 245 L N 1.743 122.611 121.223 -0.593 0.000 2.365 245 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 245 L C -0.596 176.177 176.870 -0.162 0.000 1.000 245 L CA -0.184 54.486 54.840 -0.282 0.000 0.819 245 L CB 1.768 43.734 42.059 -0.154 0.000 1.284 245 L HN 0.821 nan 8.230 nan 0.000 0.418 246 H N 3.243 122.234 119.070 -0.133 0.000 2.866 246 H HA 0.534 5.090 4.556 -0.000 0.000 0.287 246 H C -0.417 174.862 175.328 -0.081 0.000 1.106 246 H CA -0.416 55.612 56.048 -0.034 0.000 1.396 246 H CB 0.891 30.596 29.762 -0.095 0.000 1.469 246 H HN 0.836 nan 8.280 nan 0.000 0.500 247 S N 2.573 118.383 115.700 0.183 0.000 2.626 247 S HA -0.057 4.413 4.470 -0.000 0.000 0.257 247 S C 0.442 175.016 174.600 -0.044 0.000 1.288 247 S CA -0.826 57.407 58.200 0.055 0.000 0.980 247 S CB 0.909 64.152 63.200 0.072 0.000 0.975 247 S HN 0.743 nan 8.310 nan 0.000 0.577 248 D N 0.504 120.719 120.400 -0.310 0.000 2.385 248 D HA 0.163 4.803 4.640 -0.000 0.000 0.260 248 D C 0.994 177.040 176.300 -0.425 0.000 1.326 248 D CA 0.134 53.932 54.000 -0.336 0.000 1.023 248 D CB -0.134 40.493 40.800 -0.287 0.000 1.083 248 D HN 0.542 nan 8.370 nan 0.000 0.517 249 T N 3.628 118.120 114.554 -0.104 0.000 2.746 249 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 249 T C 1.937 176.702 174.700 0.108 0.000 1.039 249 T CA 0.759 62.882 62.100 0.038 0.000 1.142 249 T CB -0.010 68.972 68.868 0.189 0.000 0.866 249 T HN 0.438 nan 8.240 nan 0.000 0.444 250 L N 0.970 122.235 121.223 0.071 0.000 2.456 250 L HA 0.031 4.371 4.340 -0.000 0.000 0.224 250 L C 0.724 177.642 176.870 0.080 0.000 1.148 250 L CA 0.204 55.087 54.840 0.072 0.000 0.825 250 L CB -0.742 41.306 42.059 -0.019 0.000 0.937 250 L HN 0.272 nan 8.230 nan 0.000 0.450 251 N N 0.116 118.864 118.700 0.080 0.000 2.714 251 N HA -0.272 4.468 4.740 -0.000 0.000 0.250 251 N C 1.178 176.666 175.510 -0.037 0.000 1.117 251 N CA 1.296 54.423 53.050 0.129 0.000 0.719 251 N CB -1.006 37.637 38.487 0.259 0.000 1.081 251 N HN 0.589 nan 8.380 nan 0.000 0.557 252 E N 0.505 120.688 120.200 -0.029 0.000 2.110 252 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 252 E C 1.404 177.965 176.600 -0.066 0.000 0.988 252 E CA 1.747 58.116 56.400 -0.051 0.000 0.804 252 E CB 0.117 29.793 29.700 -0.039 0.000 0.745 252 E HN 0.552 nan 8.360 nan 0.000 0.458 253 S N -1.214 114.461 115.700 -0.042 0.000 2.511 253 S HA 0.397 4.867 4.470 -0.000 0.000 0.214 253 S C 0.568 175.133 174.600 -0.058 0.000 0.997 253 S CA 0.019 58.197 58.200 -0.036 0.000 0.908 253 S CB 1.309 64.508 63.200 -0.002 0.000 0.803 253 S HN 0.408 nan 8.310 nan 0.000 0.504 254 G N 0.008 108.755 108.800 -0.088 0.000 2.336 254 G HA2 0.384 4.344 3.960 -0.000 0.000 0.300 254 G HA3 0.384 4.344 3.960 -0.000 0.000 0.300 254 G C -1.003 173.837 174.900 -0.100 0.000 1.375 254 G CA -1.162 43.835 45.100 -0.172 0.000 0.885 254 G HN 0.150 nan 8.290 nan 0.000 0.599 255 F N -0.899 119.057 119.950 0.009 0.000 2.251 255 F HA 0.460 4.987 4.527 -0.000 0.000 0.302 255 F C 1.987 177.420 175.800 -0.610 0.000 1.143 255 F CA 0.134 58.061 58.000 -0.122 0.000 1.104 255 F CB 1.001 39.962 39.000 -0.065 0.000 1.516 255 F HN 0.305 nan 8.300 nan 0.000 0.511 256 V N 1.361 120.973 119.914 -0.503 0.000 2.332 256 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 256 V C 2.271 178.202 176.094 -0.271 0.000 1.055 256 V CA 2.379 64.292 62.300 -0.645 0.000 1.038 256 V CB -0.650 31.025 31.823 -0.246 0.000 0.651 256 V HN 0.823 nan 8.190 nan 0.000 0.450 257 E N -0.897 119.238 120.200 -0.108 0.000 2.209 257 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 257 E C 1.646 178.217 176.600 -0.048 0.000 0.993 257 E CA 1.772 58.143 56.400 -0.049 0.000 0.819 257 E CB -0.643 29.063 29.700 0.009 0.000 0.745 257 E HN 0.680 nan 8.360 nan 0.000 0.477 258 D N 0.973 121.345 120.400 -0.047 0.000 2.103 258 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 258 D C 1.855 178.140 176.300 -0.026 0.000 0.978 258 D CA 1.785 55.771 54.000 -0.024 0.000 0.829 258 D CB -0.202 40.591 40.800 -0.012 0.000 0.981 258 D HN 0.188 nan 8.370 nan 0.000 0.464 259 T N 1.836 116.373 114.554 -0.030 0.000 2.684 259 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 259 T C 2.265 176.944 174.700 -0.035 0.000 1.036 259 T CA 0.673 62.789 62.100 0.027 0.000 1.148 259 T CB -0.349 68.604 68.868 0.142 0.000 0.863 259 T HN 0.091 nan 8.240 nan 0.000 0.436 260 L N 0.546 121.714 121.223 -0.091 0.000 2.079 260 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 260 L C 2.948 179.753 176.870 -0.108 0.000 1.081 260 L CA 1.243 55.992 54.840 -0.152 0.000 0.752 260 L CB -0.578 41.332 42.059 -0.248 0.000 0.896 260 L HN 0.250 nan 8.230 nan 0.000 0.433 261 A N -0.221 122.559 122.820 -0.066 0.000 1.929 261 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 261 A C 2.531 180.097 177.584 -0.030 0.000 1.176 261 A CA 1.444 53.458 52.037 -0.038 0.000 0.628 261 A CB -0.621 18.367 19.000 -0.021 0.000 0.816 261 A HN 0.379 nan 8.150 nan 0.000 0.444 262 A N 0.061 122.866 122.820 -0.025 0.000 1.933 262 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 262 A C 2.064 179.633 177.584 -0.025 0.000 1.175 262 A CA 1.526 53.553 52.037 -0.017 0.000 0.628 262 A CB -0.626 18.371 19.000 -0.004 0.000 0.814 262 A HN 0.492 nan 8.150 nan 0.000 0.444 263 I N -0.473 120.074 120.570 -0.038 0.000 2.286 263 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 263 I C 1.756 177.848 176.117 -0.042 0.000 1.115 263 I CA 0.998 62.270 61.300 -0.046 0.000 1.392 263 I CB -0.571 37.388 38.000 -0.068 0.000 1.065 263 I HN 0.481 nan 8.210 nan 0.000 0.418 264 G N 0.951 109.726 108.800 -0.041 0.000 2.323 264 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.292 264 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.292 264 G C 0.989 175.874 174.900 -0.025 0.000 1.040 264 G CA 0.402 45.485 45.100 -0.029 0.000 0.942 264 G HN 0.961 nan 8.290 nan 0.000 0.506 265 G N -1.702 107.080 108.800 -0.029 0.000 2.168 265 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.263 265 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.263 265 G C 0.583 175.470 174.900 -0.022 0.000 0.977 265 G CA 1.146 46.236 45.100 -0.015 0.000 0.659 265 G HN 1.033 nan 8.290 nan 0.000 0.533 266 R N 0.444 120.925 120.500 -0.032 0.000 2.500 266 R HA 0.489 4.829 4.340 -0.000 0.000 0.275 266 R C 0.484 176.757 176.300 -0.044 0.000 1.051 266 R CA -0.057 56.021 56.100 -0.036 0.000 1.088 266 R CB 0.470 30.749 30.300 -0.036 0.000 1.063 266 R HN 0.153 nan 8.270 nan 0.000 0.511 267 T N 2.732 117.256 114.554 -0.049 0.000 2.928 267 T HA 0.209 4.559 4.350 -0.000 0.000 0.305 267 T C 0.140 174.796 174.700 -0.072 0.000 1.035 267 T CA 0.400 62.464 62.100 -0.061 0.000 1.145 267 T CB 0.092 68.919 68.868 -0.068 0.000 0.963 267 T HN 0.387 nan 8.240 nan 0.000 0.545 268 I N 1.731 122.256 120.570 -0.075 0.000 2.743 268 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 268 I C -0.766 175.320 176.117 -0.052 0.000 1.343 268 I CA -0.816 60.435 61.300 -0.081 0.000 1.038 268 I CB 2.002 39.953 38.000 -0.083 0.000 1.311 268 I HN 0.757 nan 8.210 nan 0.000 0.426 269 H N 5.918 124.860 119.070 -0.213 0.000 2.705 269 H HA 0.392 4.948 4.556 -0.000 0.000 0.291 269 H C -0.709 174.482 175.328 -0.229 0.000 1.085 269 H CA -0.543 55.383 56.048 -0.203 0.000 1.357 269 H CB 0.856 30.477 29.762 -0.235 0.000 1.419 269 H HN 0.590 nan 8.280 nan 0.000 0.462 270 T N 3.612 118.216 114.554 0.082 0.000 2.743 270 T HA 0.180 4.530 4.350 -0.000 0.000 0.293 270 T C -0.065 174.615 174.700 -0.032 0.000 0.945 270 T CA -0.802 61.251 62.100 -0.079 0.000 1.030 270 T CB 0.286 69.111 68.868 -0.072 0.000 0.912 270 T HN 0.206 nan 8.240 nan 0.000 0.483 271 F N 3.898 123.577 119.950 -0.453 0.000 2.418 271 F HA 0.243 4.770 4.527 -0.000 0.000 0.341 271 F C 1.505 176.831 175.800 -0.790 0.000 1.120 271 F CA -0.971 56.649 58.000 -0.633 0.000 1.232 271 F CB -0.145 38.355 39.000 -0.834 0.000 1.175 271 F HN 0.967 nan 8.300 nan 0.000 0.569 272 H N -0.675 118.540 119.070 0.242 0.000 2.284 272 H HA -0.208 4.348 4.556 -0.000 0.000 0.322 272 H C 0.740 176.133 175.328 0.109 0.000 0.973 272 H CA 0.471 56.611 56.048 0.154 0.000 1.076 272 H CB -2.452 27.367 29.762 0.095 0.000 1.596 272 H HN 0.525 nan 8.280 nan 0.000 0.361 273 T N -0.894 113.727 114.554 0.112 0.000 2.918 273 T HA -0.236 4.114 4.350 -0.000 0.000 0.271 273 T C 1.750 176.595 174.700 0.241 0.000 1.104 273 T CA 1.311 63.432 62.100 0.034 0.000 1.114 273 T CB 0.025 68.661 68.868 -0.387 0.000 0.855 273 T HN 0.706 nan 8.240 nan 0.000 0.518 274 E N 0.716 121.145 120.200 0.383 0.000 2.152 274 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 274 E C 1.923 178.593 176.600 0.118 0.000 0.983 274 E CA 1.224 57.787 56.400 0.272 0.000 0.818 274 E CB -0.223 29.590 29.700 0.189 0.000 0.758 274 E HN 0.585 nan 8.360 nan 0.000 0.467 275 G N -0.122 108.744 108.800 0.110 0.000 2.391 275 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.204 275 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.204 275 G C 1.391 176.239 174.900 -0.086 0.000 1.012 275 G CA 0.601 45.707 45.100 0.010 0.000 0.651 275 G HN 0.541 nan 8.290 nan 0.000 0.494 276 A N 0.860 123.637 122.820 -0.072 0.000 1.917 276 A HA 0.267 4.587 4.320 -0.000 0.000 0.219 276 A C 2.693 180.188 177.584 -0.148 0.000 1.182 276 A CA 2.610 54.598 52.037 -0.082 0.000 0.633 276 A CB -1.041 17.950 19.000 -0.015 0.000 0.819 276 A HN 1.675 nan 8.150 nan 0.000 0.448 277 G N -1.665 106.971 108.800 -0.275 0.000 2.679 277 G HA2 0.421 4.381 3.960 -0.000 0.000 0.212 277 G HA3 0.421 4.381 3.960 -0.000 0.000 0.212 277 G C 0.703 175.030 174.900 -0.954 0.000 1.137 277 G CA 0.862 45.620 45.100 -0.569 0.000 0.787 277 G HN 1.676 nan 8.290 nan 0.000 0.534 278 G N -2.390 105.943 108.800 -0.780 0.000 2.326 278 G HA2 0.579 4.539 3.960 -0.000 0.000 0.478 278 G HA3 0.579 4.539 3.960 -0.000 0.000 0.478 278 G C -0.323 174.344 174.900 -0.388 0.000 1.551 278 G CA -0.019 44.668 45.100 -0.687 0.000 0.946 278 G HN 1.801 nan 8.290 nan 0.000 0.671 279 G N 0.218 108.954 108.800 -0.108 0.000 2.335 279 G HA2 0.461 4.421 3.960 -0.000 0.000 0.592 279 G HA3 0.461 4.421 3.960 -0.000 0.000 0.592 279 G C -0.461 174.463 174.900 0.039 0.000 1.442 279 G CA -0.381 44.723 45.100 0.006 0.000 0.976 279 G HN 1.457 nan 8.290 nan 0.000 0.652 280 H N 0.147 119.268 119.070 0.085 0.000 3.237 280 H HA 0.206 4.762 4.556 -0.000 0.000 0.263 280 H C 1.174 176.539 175.328 0.062 0.000 0.854 280 H CA 1.528 57.635 56.048 0.098 0.000 1.416 280 H CB 0.261 30.086 29.762 0.105 0.000 1.432 280 H HN 0.986 nan 8.280 nan 0.000 0.529 281 A N 7.119 130.036 122.820 0.162 0.000 2.328 281 A HA 0.264 4.584 4.320 -0.000 0.000 0.284 281 A C -1.425 176.192 177.584 0.057 0.000 1.160 281 A CA -1.180 50.885 52.037 0.046 0.000 0.818 281 A CB 0.623 19.639 19.000 0.027 0.000 1.087 281 A HN 0.530 nan 8.150 nan 0.000 0.504 282 P HA 0.153 nan 4.420 nan 0.000 0.290 282 P C -0.553 176.688 177.300 -0.098 0.000 1.447 282 P CA 0.191 63.165 63.100 -0.211 0.000 1.127 282 P CB 0.504 31.864 31.700 -0.566 0.000 1.555 283 D N -0.696 119.702 120.400 -0.003 0.000 2.559 283 D HA 0.036 4.676 4.640 -0.000 0.000 0.234 283 D C 1.217 177.553 176.300 0.059 0.000 1.226 283 D CA -0.662 53.351 54.000 0.022 0.000 0.830 283 D CB -0.536 40.270 40.800 0.011 0.000 1.028 283 D HN -0.032 nan 8.370 nan 0.000 0.492 284 I N 0.406 121.030 120.570 0.089 0.000 2.614 284 I HA -0.028 4.142 4.170 -0.000 0.000 0.258 284 I C 1.643 177.816 176.117 0.093 0.000 1.189 284 I CA 0.630 61.998 61.300 0.114 0.000 1.462 284 I CB -0.170 37.913 38.000 0.139 0.000 1.092 284 I HN 0.205 nan 8.210 nan 0.000 0.442 285 I N 0.399 121.030 120.570 0.101 0.000 2.454 285 I HA -0.310 3.860 4.170 -0.000 0.000 0.254 285 I C 2.204 178.400 176.117 0.132 0.000 1.156 285 I CA 1.789 63.180 61.300 0.152 0.000 1.433 285 I CB -0.313 37.784 38.000 0.162 0.000 1.082 285 I HN 0.485 nan 8.210 nan 0.000 0.432 286 T N -1.305 113.308 114.554 0.097 0.000 3.025 286 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 286 T C 1.839 176.623 174.700 0.140 0.000 1.126 286 T CA 0.770 62.930 62.100 0.099 0.000 1.105 286 T CB -0.534 68.383 68.868 0.082 0.000 0.884 286 T HN 0.401 nan 8.240 nan 0.000 0.522 287 A N 1.337 124.225 122.820 0.113 0.000 2.024 287 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 287 A C 2.665 180.334 177.584 0.141 0.000 1.164 287 A CA 1.404 53.517 52.037 0.126 0.000 0.643 287 A CB -1.583 17.425 19.000 0.013 0.000 0.806 287 A HN 1.027 nan 8.150 nan 0.000 0.451 288 C N -1.704 117.626 119.300 0.049 0.000 2.460 288 C HA 0.406 4.866 4.460 -0.000 0.000 0.291 288 C C 2.340 177.344 174.990 0.023 0.000 1.493 288 C CA 0.042 59.060 59.018 0.000 0.000 1.748 288 C CB -1.835 25.907 27.740 0.004 0.000 1.656 288 C HN 0.636 nan 8.230 nan 0.000 0.576 289 A N -0.615 122.220 122.820 0.025 0.000 2.132 289 A HA 0.157 4.477 4.320 -0.000 0.000 0.213 289 A C 0.985 178.430 177.584 -0.232 0.000 1.154 289 A CA 0.179 52.146 52.037 -0.117 0.000 0.753 289 A CB -0.575 18.305 19.000 -0.199 0.000 0.826 289 A HN 0.840 nan 8.150 nan 0.000 0.469 290 H N 0.110 119.166 119.070 -0.023 0.000 2.582 290 H HA 0.146 4.702 4.556 -0.000 0.000 0.345 290 H C -1.587 173.722 175.328 -0.032 0.000 1.104 290 H CA -1.309 54.723 56.048 -0.026 0.000 1.390 290 H CB 0.987 30.732 29.762 -0.027 0.000 1.461 290 H HN 0.180 nan 8.280 nan 0.000 0.551 291 P HA -0.130 nan 4.420 nan 0.000 0.221 291 P C 0.808 178.116 177.300 0.013 0.000 1.150 291 P CA 1.045 64.157 63.100 0.019 0.000 0.800 291 P CB 0.376 32.081 31.700 0.008 0.000 0.787 292 N N -0.404 118.314 118.700 0.030 0.000 2.353 292 N HA 0.011 4.751 4.740 -0.000 0.000 0.185 292 N C 0.428 175.925 175.510 -0.022 0.000 1.098 292 N CA 0.151 53.198 53.050 -0.005 0.000 0.872 292 N CB -0.092 38.390 38.487 -0.009 0.000 0.970 292 N HN 0.104 nan 8.380 nan 0.000 0.467 293 I N 2.013 122.581 120.570 -0.004 0.000 2.342 293 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 293 I C -0.019 176.065 176.117 -0.055 0.000 1.010 293 I CA -0.639 60.644 61.300 -0.028 0.000 1.308 293 I CB 1.384 39.380 38.000 -0.005 0.000 1.400 293 I HN -0.049 nan 8.210 nan 0.000 0.488 294 L N 8.779 129.957 121.223 -0.075 0.000 2.283 294 L HA 0.372 4.712 4.340 -0.000 0.000 0.281 294 L C -2.269 174.543 176.870 -0.097 0.000 1.033 294 L CA -1.585 53.184 54.840 -0.119 0.000 0.848 294 L CB 1.296 43.242 42.059 -0.188 0.000 1.226 294 L HN 0.323 nan 8.230 nan 0.000 0.429 295 P HA 0.238 nan 4.420 nan 0.000 0.292 295 P C -0.866 176.311 177.300 -0.206 0.000 1.287 295 P CA -0.264 62.683 63.100 -0.254 0.000 0.800 295 P CB 1.834 33.218 31.700 -0.527 0.000 0.945 296 S N 1.706 117.373 115.700 -0.055 0.000 2.599 296 S HA 0.717 5.187 4.470 -0.000 0.000 0.287 296 S C -0.511 174.208 174.600 0.197 0.000 1.105 296 S CA -0.670 57.618 58.200 0.147 0.000 0.899 296 S CB 1.255 64.690 63.200 0.392 0.000 1.100 296 S HN 0.325 nan 8.310 nan 0.000 0.482 297 S N 1.344 117.265 115.700 0.369 0.000 2.578 297 S HA 0.791 5.261 4.470 -0.000 0.000 0.301 297 S C -0.023 174.718 174.600 0.235 0.000 1.091 297 S CA -0.805 57.636 58.200 0.401 0.000 1.032 297 S CB 1.594 65.137 63.200 0.571 0.000 1.064 297 S HN 0.987 nan 8.310 nan 0.000 0.508 298 T N 0.010 114.672 114.554 0.180 0.000 2.902 298 T HA 0.295 4.645 4.350 -0.000 0.000 0.280 298 T C 0.959 175.685 174.700 0.042 0.000 0.992 298 T CA -0.827 61.296 62.100 0.039 0.000 1.015 298 T CB 0.439 69.290 68.868 -0.029 0.000 1.044 298 T HN 0.607 nan 8.240 nan 0.000 0.520 299 N N 0.310 118.998 118.700 -0.020 0.000 2.422 299 N HA 0.035 4.775 4.740 -0.000 0.000 0.181 299 N C -0.998 174.518 175.510 0.010 0.000 1.080 299 N CA -0.340 52.702 53.050 -0.013 0.000 0.893 299 N CB -1.231 37.225 38.487 -0.051 0.000 0.973 299 N HN 0.422 nan 8.380 nan 0.000 0.456 300 P HA -0.059 nan 4.420 nan 0.000 0.223 300 P C 0.699 178.105 177.300 0.176 0.000 1.151 300 P CA 1.378 64.529 63.100 0.085 0.000 0.787 300 P CB -0.213 31.509 31.700 0.038 0.000 0.788 301 T N -3.354 111.280 114.554 0.133 0.000 3.129 301 T HA 0.194 4.544 4.350 -0.000 0.000 0.251 301 T C 0.767 175.496 174.700 0.049 0.000 1.117 301 T CA -0.062 62.065 62.100 0.043 0.000 1.034 301 T CB -0.536 68.324 68.868 -0.013 0.000 0.968 301 T HN -0.012 nan 8.240 nan 0.000 0.526 302 L N 3.363 124.619 121.223 0.053 0.000 2.280 302 L HA 0.516 4.856 4.340 -0.000 0.000 0.287 302 L C -2.383 174.508 176.870 0.036 0.000 1.023 302 L CA -2.301 52.562 54.840 0.039 0.000 0.819 302 L CB 1.592 43.653 42.059 0.003 0.000 1.212 302 L HN 0.015 nan 8.230 nan 0.000 0.420 303 P HA 0.119 nan 4.420 nan 0.000 0.292 303 P C -1.290 176.092 177.300 0.138 0.000 1.304 303 P CA -0.747 62.406 63.100 0.088 0.000 0.848 303 P CB 1.117 32.869 31.700 0.086 0.000 1.260 304 Y N 1.653 121.949 120.300 -0.006 0.000 2.650 304 Y HA 0.255 4.805 4.550 -0.000 0.000 0.342 304 Y C 0.373 176.270 175.900 -0.006 0.000 1.110 304 Y CA 0.261 58.349 58.100 -0.020 0.000 1.438 304 Y CB -0.863 37.584 38.460 -0.023 0.000 1.181 304 Y HN 0.360 nan 8.280 nan 0.000 0.526 305 T N 2.479 116.994 114.554 -0.065 0.000 2.888 305 T HA 0.394 4.744 4.350 -0.000 0.000 0.288 305 T C 1.036 175.603 174.700 -0.222 0.000 1.063 305 T CA -0.893 61.107 62.100 -0.167 0.000 1.010 305 T CB 0.911 69.752 68.868 -0.045 0.000 1.214 305 T HN 0.564 nan 8.240 nan 0.000 0.533 306 L N 0.517 121.640 121.223 -0.166 0.000 2.131 306 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 306 L C 2.074 178.916 176.870 -0.048 0.000 1.092 306 L CA 1.119 55.886 54.840 -0.122 0.000 0.759 306 L CB -0.423 41.585 42.059 -0.084 0.000 0.903 306 L HN 0.666 nan 8.230 nan 0.000 0.435 307 N N -1.414 117.275 118.700 -0.018 0.000 2.280 307 N HA -0.012 4.728 4.740 -0.000 0.000 0.192 307 N C 1.566 177.111 175.510 0.058 0.000 1.109 307 N CA 0.447 53.508 53.050 0.017 0.000 0.855 307 N CB 0.362 38.858 38.487 0.016 0.000 0.974 307 N HN 0.219 nan 8.380 nan 0.000 0.482 308 T N 2.282 116.877 114.554 0.067 0.000 2.607 308 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 308 T C 1.989 176.752 174.700 0.105 0.000 1.049 308 T CA 0.845 63.008 62.100 0.106 0.000 1.162 308 T CB 0.030 68.959 68.868 0.101 0.000 0.863 308 T HN 0.108 nan 8.240 nan 0.000 0.424 309 I N 1.885 122.497 120.570 0.070 0.000 2.179 309 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 309 I C 2.290 178.458 176.117 0.085 0.000 1.088 309 I CA 1.398 62.728 61.300 0.050 0.000 1.357 309 I CB -1.270 36.767 38.000 0.061 0.000 1.051 309 I HN 0.295 nan 8.210 nan 0.000 0.409 310 D N 1.055 121.499 120.400 0.073 0.000 2.116 310 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 310 D C 1.937 178.276 176.300 0.064 0.000 0.998 310 D CA 1.872 55.906 54.000 0.057 0.000 0.836 310 D CB -0.088 40.734 40.800 0.038 0.000 0.951 310 D HN 0.631 nan 8.370 nan 0.000 0.449 311 E N 0.063 120.317 120.200 0.090 0.000 2.274 311 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 311 E C 1.665 178.281 176.600 0.025 0.000 0.996 311 E CA 0.934 57.365 56.400 0.052 0.000 0.840 311 E CB -0.383 29.339 29.700 0.037 0.000 0.772 311 E HN 0.326 nan 8.360 nan 0.000 0.491 312 H N -0.107 118.950 119.070 -0.021 0.000 2.491 312 H HA 0.004 4.560 4.556 -0.000 0.000 0.290 312 H C 1.686 176.989 175.328 -0.043 0.000 1.050 312 H CA 1.229 57.256 56.048 -0.035 0.000 1.309 312 H CB 0.074 29.813 29.762 -0.038 0.000 1.392 312 H HN 0.228 nan 8.280 nan 0.000 0.554 313 L N 0.427 121.680 121.223 0.051 0.000 2.005 313 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 313 L C 1.499 178.362 176.870 -0.013 0.000 1.072 313 L CA 1.913 56.760 54.840 0.011 0.000 0.744 313 L CB -0.445 41.623 42.059 0.014 0.000 0.895 313 L HN 0.132 nan 8.230 nan 0.000 0.433 314 D N -0.688 119.699 120.400 -0.022 0.000 2.269 314 D HA -0.175 4.465 4.640 -0.000 0.000 0.208 314 D C 2.146 178.410 176.300 -0.060 0.000 0.963 314 D CA 1.234 55.214 54.000 -0.033 0.000 0.864 314 D CB 0.069 40.850 40.800 -0.032 0.000 0.936 314 D HN 0.462 nan 8.370 nan 0.000 0.505 315 M N 0.282 119.825 119.600 -0.095 0.000 2.349 315 M HA -0.105 4.375 4.480 -0.000 0.000 0.266 315 M C 1.783 178.015 176.300 -0.113 0.000 1.076 315 M CA 0.488 55.703 55.300 -0.142 0.000 1.126 315 M CB 0.229 32.678 32.600 -0.251 0.000 1.392 315 M HN -0.048 nan 8.290 nan 0.000 0.440 316 L N 0.895 122.074 121.223 -0.075 0.000 2.046 316 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 316 L C 1.435 178.305 176.870 0.001 0.000 1.077 316 L CA 1.246 56.067 54.840 -0.031 0.000 0.747 316 L CB -0.749 41.297 42.059 -0.023 0.000 0.896 316 L HN 0.304 nan 8.230 nan 0.000 0.432 333 A N 1.297 123.945 122.820 -0.286 0.000 1.940 333 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 333 A C 1.871 179.293 177.584 -0.270 0.000 1.176 333 A CA 2.134 53.946 52.037 -0.374 0.000 0.631 333 A CB -0.889 18.040 19.000 -0.118 0.000 0.814 333 A HN 0.660 nan 8.150 nan 0.000 0.446 334 E N 0.221 120.348 120.200 -0.121 0.000 2.265 334 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 334 E C 2.217 178.790 176.600 -0.045 0.000 0.996 334 E CA 1.218 57.596 56.400 -0.037 0.000 0.832 334 E CB -0.170 29.556 29.700 0.043 0.000 0.756 334 E HN 0.843 nan 8.360 nan 0.000 0.491 335 S N 0.339 115.965 115.700 -0.123 0.000 2.436 335 S HA -0.030 4.440 4.470 -0.000 0.000 0.228 335 S C 1.944 176.374 174.600 -0.282 0.000 1.014 335 S CA 0.349 58.467 58.200 -0.137 0.000 0.950 335 S CB 0.124 63.308 63.200 -0.026 0.000 0.784 335 S HN 0.096 nan 8.310 nan 0.000 0.504 336 R N 0.229 120.520 120.500 -0.349 0.000 2.090 336 R HA 0.393 4.733 4.340 -0.000 0.000 0.219 336 R C 0.016 176.181 176.300 -0.225 0.000 1.100 336 R CA 0.512 56.428 56.100 -0.307 0.000 0.991 336 R CB 0.024 30.082 30.300 -0.402 0.000 0.893 336 R HN 0.386 nan 8.270 nan 0.000 0.443 337 I N 2.486 122.941 120.570 -0.192 0.000 2.281 337 I HA 0.166 4.336 4.170 -0.000 0.000 0.293 337 I C -0.614 175.431 176.117 -0.120 0.000 1.085 337 I CA 0.012 61.233 61.300 -0.131 0.000 1.257 337 I CB 0.959 38.917 38.000 -0.069 0.000 1.430 337 I HN -0.021 nan 8.210 nan 0.000 0.489 338 R N 5.004 125.414 120.500 -0.149 0.000 2.393 338 R HA 0.384 4.724 4.340 -0.000 0.000 0.315 338 R C 0.954 177.178 176.300 -0.126 0.000 0.952 338 R CA -0.787 55.248 56.100 -0.108 0.000 0.842 338 R CB 2.017 32.200 30.300 -0.194 0.000 1.163 338 R HN 0.469 nan 8.270 nan 0.000 0.450 339 R N 1.840 122.291 120.500 -0.081 0.000 2.096 339 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 339 R C 0.631 176.798 176.300 -0.222 0.000 1.127 339 R CA 1.822 57.828 56.100 -0.158 0.000 0.968 339 R CB 0.276 30.562 30.300 -0.024 0.000 0.861 339 R HN 0.571 nan 8.270 nan 0.000 0.440 340 E N -0.509 119.639 120.200 -0.087 0.000 2.077 340 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 340 E C 1.977 178.507 176.600 -0.117 0.000 0.989 340 E CA 2.179 58.539 56.400 -0.068 0.000 0.800 340 E CB -0.221 29.503 29.700 0.040 0.000 0.746 340 E HN 0.579 nan 8.360 nan 0.000 0.452 341 T N -1.509 112.970 114.554 -0.126 0.000 2.978 341 T HA 0.060 4.410 4.350 -0.000 0.000 0.262 341 T C 2.025 176.609 174.700 -0.193 0.000 1.063 341 T CA 0.405 62.427 62.100 -0.130 0.000 1.140 341 T CB -0.267 68.539 68.868 -0.104 0.000 0.886 341 T HN 0.029 nan 8.240 nan 0.000 0.470 342 I N 1.866 122.275 120.570 -0.267 0.000 2.252 342 I HA -0.074 4.096 4.170 -0.000 0.000 0.245 342 I C 3.157 179.001 176.117 -0.454 0.000 1.102 342 I CA 1.185 62.281 61.300 -0.340 0.000 1.385 342 I CB -0.487 37.266 38.000 -0.412 0.000 1.064 342 I HN 0.336 nan 8.210 nan 0.000 0.414 343 A N 0.619 123.061 122.820 -0.630 0.000 1.930 343 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 343 A C 2.512 179.974 177.584 -0.203 0.000 1.175 343 A CA 1.686 53.404 52.037 -0.533 0.000 0.627 343 A CB -0.704 18.024 19.000 -0.454 0.000 0.815 343 A HN 0.423 nan 8.150 nan 0.000 0.443 344 A N -0.350 122.358 122.820 -0.188 0.000 1.930 344 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 344 A C 1.972 179.437 177.584 -0.198 0.000 1.175 344 A CA 1.646 53.598 52.037 -0.141 0.000 0.627 344 A CB -0.539 18.392 19.000 -0.116 0.000 0.815 344 A HN 0.664 nan 8.150 nan 0.000 0.443 345 E N -0.018 120.023 120.200 -0.265 0.000 2.114 345 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 345 E C 1.227 177.663 176.600 -0.273 0.000 1.008 345 E CA 1.675 57.815 56.400 -0.433 0.000 0.810 345 E CB -0.168 29.342 29.700 -0.317 0.000 0.739 345 E HN 0.544 nan 8.360 nan 0.000 0.456 346 D N -0.292 120.057 120.400 -0.086 0.000 2.117 346 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 346 D C 2.019 178.350 176.300 0.052 0.000 0.987 346 D CA 1.137 55.164 54.000 0.045 0.000 0.829 346 D CB -0.166 40.679 40.800 0.075 0.000 0.961 346 D HN 0.109 nan 8.370 nan 0.000 0.460 347 V N 0.812 120.720 119.914 -0.010 0.000 2.307 347 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 347 V C 2.594 178.672 176.094 -0.027 0.000 1.045 347 V CA 1.077 63.380 62.300 0.006 0.000 1.024 347 V CB -0.507 31.310 31.823 -0.010 0.000 0.651 347 V HN 0.213 nan 8.190 nan 0.000 0.449 348 L N -0.803 120.333 121.223 -0.145 0.000 2.187 348 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 348 L C 2.438 179.205 176.870 -0.173 0.000 1.100 348 L CA 1.715 56.440 54.840 -0.192 0.000 0.765 348 L CB -0.686 41.137 42.059 -0.394 0.000 0.904 348 L HN 0.437 nan 8.230 nan 0.000 0.437 349 H N -1.243 117.743 119.070 -0.141 0.000 2.363 349 H HA -0.161 4.395 4.556 -0.000 0.000 0.301 349 H C 1.934 177.183 175.328 -0.132 0.000 1.074 349 H CA 1.422 57.404 56.048 -0.112 0.000 1.354 349 H CB 0.236 29.941 29.762 -0.095 0.000 1.397 349 H HN 0.196 nan 8.280 nan 0.000 0.516 350 D N -0.067 120.421 120.400 0.148 0.000 2.178 350 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 350 D C 1.733 178.110 176.300 0.127 0.000 0.980 350 D CA 0.715 54.840 54.000 0.209 0.000 0.842 350 D CB 0.033 40.971 40.800 0.229 0.000 0.948 350 D HN 0.311 nan 8.370 nan 0.000 0.472 351 L N -1.422 119.848 121.223 0.078 0.000 2.418 351 L HA 0.193 4.533 4.340 -0.000 0.000 0.218 351 L C 1.664 178.577 176.870 0.071 0.000 1.125 351 L CA 0.663 55.548 54.840 0.075 0.000 0.835 351 L CB -0.031 42.057 42.059 0.047 0.000 0.953 351 L HN 0.281 nan 8.230 nan 0.000 0.454 352 G N -0.847 107.976 108.800 0.039 0.000 2.144 352 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 352 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 352 G C 0.894 175.818 174.900 0.041 0.000 0.988 352 G CA 0.337 45.460 45.100 0.039 0.000 0.659 352 G HN 0.376 nan 8.290 nan 0.000 0.522 353 A N -0.770 122.082 122.820 0.053 0.000 1.970 353 A HA 0.615 4.935 4.320 -0.000 0.000 0.216 353 A C 0.676 178.353 177.584 0.156 0.000 1.170 353 A CA 0.847 52.943 52.037 0.099 0.000 0.645 353 A CB -0.015 19.061 19.000 0.128 0.000 0.816 353 A HN 0.590 nan 8.150 nan 0.000 0.447 354 F N 0.022 119.822 119.950 -0.251 0.000 2.415 354 F HA 0.410 4.937 4.527 -0.000 0.000 0.348 354 F C 1.193 176.864 175.800 -0.216 0.000 1.119 354 F CA -0.816 56.970 58.000 -0.357 0.000 1.069 354 F CB 1.860 40.303 39.000 -0.928 0.000 1.124 354 F HN -0.028 nan 8.300 nan 0.000 0.472 355 S N 2.718 118.418 115.700 0.000 0.000 2.511 355 S HA 0.323 4.793 4.470 -0.000 0.000 0.214 355 S C -0.166 174.474 174.600 0.067 0.000 0.997 355 S CA 0.109 58.321 58.200 0.020 0.000 0.908 355 S CB 0.206 63.381 63.200 -0.042 0.000 0.803 355 S HN 0.263 nan 8.310 nan 0.000 0.504 356 L N 1.070 122.380 121.223 0.146 0.000 2.415 356 L HA 0.553 4.893 4.340 -0.000 0.000 0.256 356 L C -0.230 176.802 176.870 0.269 0.000 1.010 356 L CA -0.431 54.506 54.840 0.162 0.000 0.826 356 L CB 1.915 44.034 42.059 0.100 0.000 1.405 356 L HN 0.014 nan 8.230 nan 0.000 0.410 357 T N -2.021 112.644 114.554 0.186 0.000 2.887 357 T HA 0.956 5.306 4.350 -0.000 0.000 0.288 357 T C -0.413 174.357 174.700 0.117 0.000 1.021 357 T CA -0.541 61.640 62.100 0.136 0.000 1.000 357 T CB 1.851 70.726 68.868 0.013 0.000 1.034 357 T HN 0.763 nan 8.240 nan 0.000 0.467 358 S N 0.571 116.318 115.700 0.078 0.000 2.688 358 S HA 0.665 5.135 4.470 -0.000 0.000 0.275 358 S C 0.921 175.494 174.600 -0.045 0.000 1.175 358 S CA -0.153 58.069 58.200 0.037 0.000 0.818 358 S CB 1.187 64.432 63.200 0.074 0.000 1.157 358 S HN 1.088 nan 8.310 nan 0.000 0.482 359 S N 0.152 115.794 115.700 -0.096 0.000 2.357 359 S HA 0.233 4.703 4.470 -0.000 0.000 0.209 359 S C 0.398 174.840 174.600 -0.262 0.000 1.023 359 S CA 1.246 59.358 58.200 -0.147 0.000 0.933 359 S CB -0.796 62.328 63.200 -0.126 0.000 0.897 359 S HN 1.257 nan 8.310 nan 0.000 0.529 360 D N 1.256 121.429 120.400 -0.379 0.000 2.924 360 D HA -0.131 4.509 4.640 -0.000 0.000 0.224 360 D C -0.365 175.807 176.300 -0.215 0.000 1.080 360 D CA 0.701 54.382 54.000 -0.532 0.000 0.781 360 D CB -2.040 38.383 40.800 -0.628 0.000 1.087 360 D HN 0.685 nan 8.370 nan 0.000 0.441 361 S N 0.644 116.260 115.700 -0.140 0.000 3.298 361 S HA -0.068 4.402 4.470 -0.000 0.000 0.389 361 S C 1.084 175.597 174.600 -0.145 0.000 1.186 361 S CA 1.232 59.357 58.200 -0.125 0.000 1.034 361 S CB 0.615 63.741 63.200 -0.123 0.000 0.735 361 S HN 0.473 nan 8.310 nan 0.000 0.510 362 Q N -0.018 119.690 119.800 -0.153 0.000 2.439 362 Q HA -0.291 4.049 4.340 -0.000 0.000 0.247 362 Q C 0.361 176.215 176.000 -0.244 0.000 0.899 362 Q CA 1.153 56.860 55.803 -0.160 0.000 1.201 362 Q CB -2.057 26.627 28.738 -0.090 0.000 1.608 362 Q HN 1.260 nan 8.270 nan 0.000 0.563 363 A N 0.189 122.801 122.820 -0.347 0.000 3.308 363 A HA 0.596 4.916 4.320 -0.000 0.000 0.275 363 A C 0.407 177.837 177.584 -0.256 0.000 0.950 363 A CA 0.079 51.870 52.037 -0.410 0.000 0.987 363 A CB 0.439 18.840 19.000 -0.999 0.000 1.146 363 A HN 0.340 nan 8.150 nan 0.000 0.488 364 M N -1.135 118.340 119.600 -0.208 0.000 2.665 364 M HA -0.153 4.327 4.480 -0.000 0.000 0.217 364 M C 0.199 176.394 176.300 -0.177 0.000 0.487 364 M CA 0.975 56.164 55.300 -0.185 0.000 0.657 364 M CB -1.332 31.178 32.600 -0.150 0.000 2.412 364 M HN 1.148 nan 8.290 nan 0.000 0.767 365 G N 0.557 109.250 108.800 -0.178 0.000 2.616 365 G HA2 0.664 4.624 3.960 -0.000 0.000 0.294 365 G HA3 0.664 4.624 3.960 -0.000 0.000 0.294 365 G C -1.334 173.481 174.900 -0.141 0.000 1.489 365 G CA -1.097 43.907 45.100 -0.160 0.000 0.836 365 G HN 0.254 nan 8.290 nan 0.000 0.527 366 R N 1.755 122.184 120.500 -0.118 0.000 2.288 366 R HA 0.387 4.727 4.340 -0.000 0.000 0.326 366 R C 1.027 177.267 176.300 -0.099 0.000 0.959 366 R CA -0.738 55.299 56.100 -0.106 0.000 0.834 366 R CB 2.126 32.365 30.300 -0.102 0.000 1.157 366 R HN 0.319 nan 8.270 nan 0.000 0.470 367 V N 2.888 122.747 119.914 -0.092 0.000 2.453 367 V HA -0.159 3.961 4.120 -0.000 0.000 0.252 367 V C 1.452 177.506 176.094 -0.067 0.000 1.068 367 V CA 2.546 64.796 62.300 -0.083 0.000 1.070 367 V CB -0.086 31.692 31.823 -0.074 0.000 0.664 367 V HN 1.005 nan 8.190 nan 0.000 0.461 368 G N -1.240 107.524 108.800 -0.060 0.000 3.371 368 G HA2 0.144 4.104 3.960 -0.000 0.000 0.248 368 G HA3 0.144 4.104 3.960 -0.000 0.000 0.248 368 G C 0.674 175.545 174.900 -0.049 0.000 1.161 368 G CA 0.044 45.117 45.100 -0.045 0.000 0.796 368 G HN 0.620 nan 8.290 nan 0.000 0.539 369 E N 0.064 120.220 120.200 -0.074 0.000 2.734 369 E HA 0.133 4.483 4.350 -0.000 0.000 0.211 369 E C 1.387 177.923 176.600 -0.106 0.000 0.991 369 E CA -0.199 56.153 56.400 -0.081 0.000 1.065 369 E CB 1.079 30.725 29.700 -0.090 0.000 1.047 369 E HN 0.201 nan 8.360 nan 0.000 0.470 370 V N 0.856 120.693 119.914 -0.128 0.000 2.270 370 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 370 V C 2.205 178.118 176.094 -0.301 0.000 1.043 370 V CA 1.571 63.769 62.300 -0.171 0.000 1.014 370 V CB -0.283 31.452 31.823 -0.147 0.000 0.645 370 V HN 0.326 nan 8.190 nan 0.000 0.447 371 I N -0.289 120.037 120.570 -0.406 0.000 2.202 371 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 371 I C 2.455 178.413 176.117 -0.265 0.000 1.091 371 I CA 1.640 62.568 61.300 -0.620 0.000 1.368 371 I CB -0.351 37.359 38.000 -0.484 0.000 1.058 371 I HN 0.292 nan 8.210 nan 0.000 0.410 372 L N 0.947 122.102 121.223 -0.114 0.000 1.990 372 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 372 L C 2.824 179.686 176.870 -0.013 0.000 1.072 372 L CA 1.781 56.616 54.840 -0.009 0.000 0.755 372 L CB -0.298 41.762 42.059 0.002 0.000 0.889 372 L HN 0.139 nan 8.230 nan 0.000 0.432 373 R N -1.024 119.434 120.500 -0.070 0.000 2.148 373 R HA -0.112 4.228 4.340 -0.000 0.000 0.227 373 R C 2.094 178.338 176.300 -0.093 0.000 1.103 373 R CA 1.715 57.779 56.100 -0.060 0.000 0.983 373 R CB -0.443 29.820 30.300 -0.061 0.000 0.874 373 R HN 0.458 nan 8.270 nan 0.000 0.451 374 T N -0.350 114.084 114.554 -0.201 0.000 2.821 374 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 374 T C 1.208 175.719 174.700 -0.315 0.000 1.046 374 T CA 1.200 63.137 62.100 -0.272 0.000 1.139 374 T CB -0.178 68.465 68.868 -0.374 0.000 0.871 374 T HN 0.445 nan 8.240 nan 0.000 0.454 375 W N 1.522 122.825 121.300 0.004 0.000 2.436 375 W HA 0.025 4.684 4.660 -0.000 0.000 0.284 375 W C 2.630 179.113 176.519 -0.060 0.000 1.225 375 W CA 0.009 57.330 57.345 -0.039 0.000 1.271 375 W CB -0.205 29.244 29.460 -0.019 0.000 1.114 375 W HN 0.286 nan 8.180 nan 0.000 0.559 376 Q N 0.021 119.897 119.800 0.127 0.000 2.119 376 Q HA -0.172 4.168 4.340 -0.000 0.000 0.201 376 Q C 2.119 178.173 176.000 0.091 0.000 0.972 376 Q CA 1.670 57.530 55.803 0.095 0.000 0.847 376 Q CB -0.455 28.314 28.738 0.052 0.000 0.903 376 Q HN 0.196 nan 8.270 nan 0.000 0.433 377 V N 0.912 120.843 119.914 0.029 0.000 2.270 377 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 377 V C 2.316 178.378 176.094 -0.053 0.000 1.043 377 V CA 1.808 64.133 62.300 0.041 0.000 1.014 377 V CB -1.117 30.759 31.823 0.089 0.000 0.645 377 V HN 0.394 nan 8.190 nan 0.000 0.447 378 A N -0.120 122.477 122.820 -0.372 0.000 1.917 378 A HA -0.362 3.958 4.320 -0.000 0.000 0.219 378 A C 2.122 179.598 177.584 -0.180 0.000 1.182 378 A CA 2.725 54.339 52.037 -0.704 0.000 0.633 378 A CB -0.962 17.459 19.000 -0.964 0.000 0.819 378 A HN 0.818 nan 8.150 nan 0.000 0.448 379 H N -0.758 118.253 119.070 -0.097 0.000 2.293 379 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 379 H C 2.222 177.544 175.328 -0.010 0.000 1.082 379 H CA 1.921 57.953 56.048 -0.027 0.000 1.308 379 H CB -0.037 29.727 29.762 0.004 0.000 1.375 379 H HN 0.238 nan 8.280 nan 0.000 0.495 380 R N -0.221 120.284 120.500 0.009 0.000 2.152 380 R HA -0.088 4.251 4.340 -0.000 0.000 0.232 380 R C 2.096 178.367 176.300 -0.048 0.000 1.117 380 R CA 1.138 57.224 56.100 -0.023 0.000 0.981 380 R CB -0.236 30.113 30.300 0.083 0.000 0.870 380 R HN 0.492 nan 8.270 nan 0.000 0.451 381 M N 0.010 119.596 119.600 -0.024 0.000 2.334 381 M HA -0.047 4.433 4.480 -0.000 0.000 0.266 381 M C 2.089 178.380 176.300 -0.015 0.000 1.082 381 M CA 1.039 56.348 55.300 0.015 0.000 1.141 381 M CB -0.554 32.098 32.600 0.087 0.000 1.380 381 M HN 0.024 nan 8.290 nan 0.000 0.440 382 K N 0.610 120.972 120.400 -0.064 0.000 2.026 382 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 382 K C 1.796 178.350 176.600 -0.077 0.000 1.048 382 K CA 1.275 57.530 56.287 -0.053 0.000 0.929 382 K CB 0.065 32.528 32.500 -0.060 0.000 0.713 382 K HN 0.074 nan 8.250 nan 0.000 0.439 383 V N 1.551 121.368 119.914 -0.163 0.000 2.343 383 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 383 V C 2.276 178.333 176.094 -0.061 0.000 1.051 383 V CA 1.914 64.131 62.300 -0.138 0.000 1.036 383 V CB -0.432 31.257 31.823 -0.224 0.000 0.654 383 V HN 0.437 nan 8.190 nan 0.000 0.451 384 Q N -0.733 119.041 119.800 -0.043 0.000 2.212 384 Q HA 0.033 4.373 4.340 -0.000 0.000 0.199 384 Q C 2.169 178.172 176.000 0.005 0.000 0.950 384 Q CA 0.831 56.629 55.803 -0.009 0.000 0.863 384 Q CB 0.097 28.841 28.738 0.009 0.000 0.944 384 Q HN 0.579 nan 8.270 nan 0.000 0.465 385 R N -0.577 119.929 120.500 0.011 0.000 2.373 385 R HA 0.264 4.603 4.340 -0.000 0.000 0.221 385 R C 0.638 176.954 176.300 0.026 0.000 0.893 385 R CA 0.459 56.574 56.100 0.025 0.000 1.049 385 R CB 1.262 31.587 30.300 0.042 0.000 1.119 385 R HN 0.192 nan 8.270 nan 0.000 0.535 386 G N 1.603 110.414 108.800 0.018 0.000 2.642 386 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.231 386 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.231 386 G C -0.280 174.645 174.900 0.042 0.000 1.338 386 G CA -0.488 44.626 45.100 0.023 0.000 0.883 386 G HN 0.407 nan 8.290 nan 0.000 0.570 387 A N -0.597 122.250 122.820 0.044 0.000 2.483 387 A HA 0.553 4.873 4.320 -0.000 0.000 0.238 387 A C 0.994 178.625 177.584 0.078 0.000 1.070 387 A CA 0.460 52.535 52.037 0.063 0.000 0.770 387 A CB 0.003 19.033 19.000 0.049 0.000 1.008 387 A HN 1.263 nan 8.150 nan 0.000 0.497 388 L N 1.395 122.688 121.223 0.116 0.000 2.436 388 L HA 0.256 4.596 4.340 -0.000 0.000 0.265 388 L C 1.813 178.724 176.870 0.069 0.000 1.168 388 L CA 0.024 54.943 54.840 0.132 0.000 0.815 388 L CB 0.820 43.029 42.059 0.250 0.000 1.109 388 L HN 0.905 nan 8.230 nan 0.000 0.462 389 A N 1.459 124.302 122.820 0.038 0.000 2.076 389 A HA -0.158 4.161 4.320 -0.000 0.000 0.220 389 A C 1.829 179.374 177.584 -0.064 0.000 1.160 389 A CA 1.435 53.468 52.037 -0.007 0.000 0.653 389 A CB -0.379 18.615 19.000 -0.010 0.000 0.801 389 A HN 0.874 nan 8.150 nan 0.000 0.455 390 E N 0.508 120.630 120.200 -0.131 0.000 2.435 390 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 390 E C 0.156 176.627 176.600 -0.215 0.000 1.029 390 E CA 0.044 56.240 56.400 -0.339 0.000 0.865 390 E CB 0.099 29.209 29.700 -0.983 0.000 0.833 390 E HN 0.478 nan 8.360 nan 0.000 0.510 391 E N 0.645 120.826 120.200 -0.033 0.000 2.413 391 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 391 E C -0.260 176.346 176.600 0.009 0.000 1.015 391 E CA 0.457 56.883 56.400 0.042 0.000 0.916 391 E CB 1.260 31.009 29.700 0.082 0.000 0.947 391 E HN -0.116 nan 8.360 nan 0.000 0.440 392 T N 0.947 115.517 114.554 0.028 0.000 2.881 392 T HA 0.578 4.928 4.350 -0.000 0.000 0.290 392 T C -0.284 174.433 174.700 0.028 0.000 1.000 392 T CA 0.455 62.565 62.100 0.016 0.000 0.978 392 T CB 0.931 69.806 68.868 0.011 0.000 0.997 392 T HN 0.714 nan 8.240 nan 0.000 0.443 393 G N 3.684 112.494 108.800 0.016 0.000 2.795 393 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.664 393 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.664 393 G C -0.613 174.293 174.900 0.009 0.000 1.381 393 G CA -0.369 44.739 45.100 0.013 0.000 0.853 393 G HN 0.801 nan 8.290 nan 0.000 0.545 394 D N 1.538 121.934 120.400 -0.007 0.000 2.741 394 D HA 0.406 5.046 4.640 -0.000 0.000 0.233 394 D C 0.741 177.030 176.300 -0.017 0.000 1.160 394 D CA 0.450 54.435 54.000 -0.025 0.000 1.003 394 D CB -0.495 40.269 40.800 -0.060 0.000 1.064 394 D HN 0.712 nan 8.370 nan 0.000 0.503 395 N N -0.531 118.186 118.700 0.027 0.000 3.116 395 N HA 0.149 4.889 4.740 -0.000 0.000 0.244 395 N C -0.975 174.590 175.510 0.091 0.000 1.485 395 N CA -0.691 52.401 53.050 0.069 0.000 0.884 395 N CB 1.099 39.628 38.487 0.070 0.000 1.415 395 N HN -0.146 nan 8.380 nan 0.000 0.524 396 D N -0.115 120.351 120.400 0.110 0.000 2.525 396 D HA 0.105 4.745 4.640 -0.000 0.000 0.229 396 D C 0.274 176.629 176.300 0.092 0.000 1.202 396 D CA -0.252 53.811 54.000 0.106 0.000 0.828 396 D CB 0.034 40.893 40.800 0.099 0.000 1.008 396 D HN 0.357 nan 8.370 nan 0.000 0.493 397 N N 0.976 119.727 118.700 0.085 0.000 2.037 397 N HA -0.215 4.525 4.740 -0.000 0.000 0.196 397 N C 1.403 176.955 175.510 0.070 0.000 1.034 397 N CA 0.939 54.027 53.050 0.064 0.000 0.861 397 N CB -0.503 38.026 38.487 0.071 0.000 1.039 397 N HN 0.285 nan 8.380 nan 0.000 0.427 398 F N 1.452 121.409 119.950 0.010 0.000 2.134 398 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 398 F C 2.529 178.344 175.800 0.025 0.000 1.097 398 F CA 1.177 59.162 58.000 -0.025 0.000 1.264 398 F CB -0.050 38.933 39.000 -0.029 0.000 1.001 398 F HN -0.055 nan 8.300 nan 0.000 0.479 399 R N -0.078 120.444 120.500 0.037 0.000 2.120 399 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 399 R C 1.923 178.312 176.300 0.148 0.000 1.123 399 R CA 1.590 57.745 56.100 0.093 0.000 0.975 399 R CB -0.424 29.980 30.300 0.173 0.000 0.866 399 R HN 0.302 nan 8.270 nan 0.000 0.446 400 V N 1.159 121.139 119.914 0.111 0.000 2.358 400 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 400 V C 2.052 178.263 176.094 0.194 0.000 1.047 400 V CA 1.858 64.309 62.300 0.252 0.000 1.035 400 V CB -0.320 31.545 31.823 0.069 0.000 0.658 400 V HN 0.348 nan 8.190 nan 0.000 0.452 401 K N -0.002 120.358 120.400 -0.066 0.000 2.097 401 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 401 K C 2.346 178.857 176.600 -0.147 0.000 1.050 401 K CA 1.401 57.613 56.287 -0.125 0.000 0.938 401 K CB -0.238 32.089 32.500 -0.288 0.000 0.718 401 K HN 0.338 nan 8.250 nan 0.000 0.442 402 R N 0.104 120.367 120.500 -0.395 0.000 2.081 402 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 402 R C 1.645 177.850 176.300 -0.159 0.000 1.131 402 R CA 1.571 57.494 56.100 -0.296 0.000 0.960 402 R CB -0.207 29.846 30.300 -0.412 0.000 0.856 402 R HN 0.192 nan 8.270 nan 0.000 0.436 403 Y N 0.074 120.288 120.300 -0.144 0.000 2.337 403 Y HA -0.004 4.546 4.550 -0.000 0.000 0.293 403 Y C 2.087 177.785 175.900 -0.337 0.000 1.123 403 Y CA 0.950 58.900 58.100 -0.250 0.000 1.201 403 Y CB -0.053 38.157 38.460 -0.418 0.000 1.011 403 Y HN 0.078 nan 8.280 nan 0.000 0.545 404 I N -0.481 120.068 120.570 -0.035 0.000 2.394 404 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 404 I C 2.313 178.210 176.117 -0.367 0.000 1.136 404 I CA 1.123 62.304 61.300 -0.197 0.000 1.425 404 I CB -0.129 37.977 38.000 0.176 0.000 1.079 404 I HN 0.186 nan 8.210 nan 0.000 0.425 405 A N 0.627 123.375 122.820 -0.119 0.000 2.019 405 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 405 A C 2.191 179.705 177.584 -0.118 0.000 1.164 405 A CA 1.554 53.549 52.037 -0.070 0.000 0.644 405 A CB -0.463 18.548 19.000 0.018 0.000 0.805 405 A HN 0.428 nan 8.150 nan 0.000 0.449 406 K N -1.333 118.984 120.400 -0.137 0.000 2.147 406 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 406 K C 1.006 177.636 176.600 0.049 0.000 1.049 406 K CA 1.680 57.944 56.287 -0.039 0.000 0.936 406 K CB -0.251 32.230 32.500 -0.031 0.000 0.722 406 K HN 0.912 nan 8.250 nan 0.000 0.446 407 Y N -1.258 119.045 120.300 0.004 0.000 2.696 407 Y HA 0.302 4.851 4.550 -0.000 0.000 0.260 407 Y C 0.898 176.844 175.900 0.078 0.000 1.165 407 Y CA -0.277 57.842 58.100 0.032 0.000 1.189 407 Y CB -0.211 38.253 38.460 0.007 0.000 1.180 407 Y HN -0.050 nan 8.280 nan 0.000 0.538 408 T N -3.359 111.164 114.554 -0.052 0.000 3.359 408 T HA 0.119 4.469 4.350 -0.000 0.000 0.160 408 T C 1.166 175.899 174.700 0.054 0.000 0.924 408 T CA 0.593 62.707 62.100 0.024 0.000 0.951 408 T CB -0.731 68.120 68.868 -0.028 0.000 1.404 408 T HN 0.087 nan 8.240 nan 0.000 0.309 409 I N 3.209 123.807 120.570 0.046 0.000 2.252 409 I HA 0.011 4.181 4.170 -0.000 0.000 0.245 409 I C 1.885 177.991 176.117 -0.018 0.000 1.102 409 I CA 1.374 62.693 61.300 0.032 0.000 1.385 409 I CB -0.825 37.170 38.000 -0.009 0.000 1.064 409 I HN 0.270 nan 8.210 nan 0.000 0.414 410 N N 0.784 119.460 118.700 -0.040 0.000 2.084 410 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 410 N C -0.749 174.744 175.510 -0.028 0.000 1.030 410 N CA 1.751 54.771 53.050 -0.050 0.000 0.849 410 N CB -1.946 36.507 38.487 -0.055 0.000 1.012 410 N HN 0.304 nan 8.380 nan 0.000 0.423 411 P HA -0.028 nan 4.420 nan 0.000 0.217 411 P C 1.040 178.381 177.300 0.068 0.000 1.150 411 P CA 1.465 64.601 63.100 0.060 0.000 0.832 411 P CB -0.045 31.715 31.700 0.099 0.000 0.787 412 A N -0.862 121.984 122.820 0.043 0.000 1.933 412 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 412 A C 2.159 179.754 177.584 0.019 0.000 1.175 412 A CA 1.385 53.438 52.037 0.028 0.000 0.628 412 A CB -1.578 17.445 19.000 0.039 0.000 0.814 412 A HN 0.124 nan 8.150 nan 0.000 0.444 413 L N -1.070 120.152 121.223 -0.002 0.000 2.095 413 L HA -0.103 4.237 4.340 -0.000 0.000 0.204 413 L C 2.719 179.557 176.870 -0.054 0.000 1.080 413 L CA 1.581 56.407 54.840 -0.024 0.000 0.759 413 L CB -0.770 41.259 42.059 -0.049 0.000 0.914 413 L HN 0.307 nan 8.230 nan 0.000 0.439 414 T N -1.988 112.517 114.554 -0.082 0.000 2.803 414 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 414 T C 1.417 175.965 174.700 -0.254 0.000 1.052 414 T CA 1.176 63.164 62.100 -0.187 0.000 1.136 414 T CB -0.229 68.470 68.868 -0.282 0.000 0.864 414 T HN 0.360 nan 8.240 nan 0.000 0.467 415 H N -0.411 118.623 119.070 -0.060 0.000 2.542 415 H HA 0.352 4.908 4.556 -0.000 0.000 0.283 415 H C 1.584 176.872 175.328 -0.066 0.000 1.059 415 H CA 0.295 56.315 56.048 -0.048 0.000 1.162 415 H CB 0.262 30.003 29.762 -0.035 0.000 1.539 415 H HN 0.481 nan 8.280 nan 0.000 0.543 416 G N 2.418 111.227 108.800 0.015 0.000 2.246 416 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.273 416 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.273 416 G C 0.812 175.770 174.900 0.097 0.000 1.055 416 G CA 0.727 45.849 45.100 0.037 0.000 0.851 416 G HN 0.631 nan 8.290 nan 0.000 0.500 417 I N -4.209 116.371 120.570 0.016 0.000 4.225 417 I HA 0.676 4.846 4.170 -0.000 0.000 0.327 417 I C 1.828 177.919 176.117 -0.044 0.000 1.422 417 I CA 0.389 61.616 61.300 -0.122 0.000 1.150 417 I CB 0.356 37.995 38.000 -0.602 0.000 1.192 417 I HN 0.126 nan 8.210 nan 0.000 0.440 418 A N 1.802 124.673 122.820 0.085 0.000 2.178 418 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 418 A C 2.001 179.660 177.584 0.125 0.000 1.157 418 A CA 1.855 53.944 52.037 0.086 0.000 0.689 418 A CB -1.319 17.727 19.000 0.076 0.000 0.787 418 A HN 0.864 nan 8.150 nan 0.000 0.465 419 H N -3.087 116.015 119.070 0.053 0.000 2.535 419 H HA 0.223 4.779 4.556 -0.000 0.000 0.273 419 H C 1.476 176.861 175.328 0.094 0.000 0.983 419 H CA 0.885 56.972 56.048 0.064 0.000 1.238 419 H CB 0.218 30.013 29.762 0.055 0.000 1.412 419 H HN 0.384 nan 8.280 nan 0.000 0.562 420 E N 1.025 121.070 120.200 -0.258 0.000 2.256 420 E HA 0.135 4.485 4.350 -0.000 0.000 0.198 420 E C 0.748 177.367 176.600 0.033 0.000 0.908 420 E CA 0.892 57.225 56.400 -0.112 0.000 0.915 420 E CB 1.108 30.754 29.700 -0.090 0.000 0.890 420 E HN 0.375 nan 8.360 nan 0.000 0.484 421 V N -4.506 115.443 119.914 0.059 0.000 3.156 421 V HA 0.874 4.994 4.120 -0.000 0.000 0.310 421 V C 0.740 176.899 176.094 0.108 0.000 1.234 421 V CA -0.200 62.166 62.300 0.109 0.000 1.065 421 V CB 1.359 33.278 31.823 0.160 0.000 1.088 421 V HN 0.308 nan 8.190 nan 0.000 0.451 422 G N -0.034 108.846 108.800 0.133 0.000 2.284 422 G HA2 0.158 4.118 3.960 -0.000 0.000 0.201 422 G HA3 0.158 4.118 3.960 -0.000 0.000 0.201 422 G C 0.207 175.216 174.900 0.182 0.000 0.998 422 G CA 0.608 45.791 45.100 0.139 0.000 0.651 422 G HN 2.420 nan 8.290 nan 0.000 0.489 423 S N -1.133 114.687 115.700 0.201 0.000 2.615 423 S HA 0.622 5.092 4.470 -0.000 0.000 0.268 423 S C -0.780 173.965 174.600 0.241 0.000 1.146 423 S CA -0.693 57.656 58.200 0.249 0.000 0.818 423 S CB 1.018 64.437 63.200 0.365 0.000 1.111 423 S HN 0.760 nan 8.310 nan 0.000 0.465 424 I N 1.584 122.334 120.570 0.300 0.000 2.224 424 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 424 I C -0.002 176.303 176.117 0.314 0.000 1.155 424 I CA 0.214 61.697 61.300 0.304 0.000 1.297 424 I CB -0.341 37.857 38.000 0.331 0.000 1.487 424 I HN 0.555 nan 8.210 nan 0.000 0.564 425 E N 3.680 123.979 120.200 0.165 0.000 2.343 425 E HA 0.377 4.727 4.350 -0.000 0.000 0.270 425 E C -0.675 175.936 176.600 0.019 0.000 0.895 425 E CA -1.033 55.386 56.400 0.030 0.000 0.767 425 E CB 3.184 32.897 29.700 0.022 0.000 1.248 425 E HN 0.275 nan 8.360 nan 0.000 0.440 426 V N -0.141 119.746 119.914 -0.044 0.000 2.788 426 V HA 0.399 4.519 4.120 -0.000 0.000 0.307 426 V C 1.047 177.134 176.094 -0.013 0.000 1.069 426 V CA 0.911 63.184 62.300 -0.045 0.000 1.173 426 V CB 0.171 31.919 31.823 -0.125 0.000 0.925 426 V HN 1.016 nan 8.190 nan 0.000 0.492 427 G N 2.687 111.494 108.800 0.011 0.000 2.199 427 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.254 427 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.254 427 G C 0.288 175.221 174.900 0.055 0.000 0.982 427 G CA 0.489 45.609 45.100 0.033 0.000 0.632 427 G HN 0.900 nan 8.290 nan 0.000 0.529 428 K N -0.187 120.252 120.400 0.064 0.000 2.098 428 K HA 0.597 4.917 4.320 -0.000 0.000 0.257 428 K C 0.309 176.957 176.600 0.079 0.000 0.999 428 K CA -1.000 55.332 56.287 0.075 0.000 0.924 428 K CB 1.495 34.050 32.500 0.093 0.000 1.028 428 K HN 0.122 nan 8.250 nan 0.000 0.466 429 L N 1.919 123.187 121.223 0.074 0.000 2.525 429 L HA -0.017 4.323 4.340 -0.000 0.000 0.278 429 L C -0.095 176.828 176.870 0.087 0.000 1.218 429 L CA 0.740 55.623 54.840 0.071 0.000 0.878 429 L CB 0.448 42.544 42.059 0.061 0.000 1.127 429 L HN 0.739 nan 8.230 nan 0.000 0.492 430 A N 4.048 126.919 122.820 0.084 0.000 3.026 430 A HA 0.181 4.501 4.320 -0.000 0.000 0.272 430 A C -0.394 177.240 177.584 0.083 0.000 1.782 430 A CA -0.376 51.714 52.037 0.089 0.000 1.451 430 A CB -1.104 17.948 19.000 0.086 0.000 1.081 430 A HN 0.687 nan 8.150 nan 0.000 0.611 431 D N 1.669 122.125 120.400 0.093 0.000 2.443 431 D HA 0.534 5.174 4.640 -0.000 0.000 0.221 431 D C -0.331 176.027 176.300 0.096 0.000 1.097 431 D CA 0.414 54.468 54.000 0.089 0.000 0.865 431 D CB 0.893 41.756 40.800 0.104 0.000 1.034 431 D HN 0.414 nan 8.370 nan 0.000 0.511 432 L N 0.945 122.210 121.223 0.071 0.000 2.354 432 L HA 0.678 5.018 4.340 -0.000 0.000 0.264 432 L C -0.518 176.354 176.870 0.004 0.000 1.008 432 L CA -1.226 53.655 54.840 0.068 0.000 0.819 432 L CB 2.369 44.473 42.059 0.074 0.000 1.339 432 L HN -0.109 nan 8.230 nan 0.000 0.420 433 V N 1.918 121.821 119.914 -0.019 0.000 2.531 433 V HA 0.427 4.547 4.120 -0.000 0.000 0.301 433 V C -0.293 175.625 176.094 -0.293 0.000 1.034 433 V CA -0.695 61.456 62.300 -0.248 0.000 0.865 433 V CB 2.140 33.727 31.823 -0.393 0.000 0.995 433 V HN 0.421 nan 8.190 nan 0.000 0.424 434 V N 3.926 123.645 119.914 -0.324 0.000 2.439 434 V HA 0.510 4.630 4.120 -0.000 0.000 0.282 434 V C -0.812 175.144 176.094 -0.229 0.000 1.039 434 V CA -0.435 61.779 62.300 -0.144 0.000 0.913 434 V CB 1.273 33.065 31.823 -0.050 0.000 0.983 434 V HN 0.913 nan 8.190 nan 0.000 0.460 435 W N 1.911 123.279 121.300 0.113 0.000 2.844 435 W HA 0.631 5.291 4.660 -0.000 0.000 0.340 435 W C 0.213 176.820 176.519 0.148 0.000 1.093 435 W CA -0.620 56.804 57.345 0.132 0.000 1.212 435 W CB 1.821 31.397 29.460 0.192 0.000 1.422 435 W HN 0.461 nan 8.180 nan 0.000 0.515 436 S N 2.109 118.065 115.700 0.427 0.000 2.525 436 S HA 0.314 4.784 4.470 -0.000 0.000 0.278 436 S C -1.559 173.236 174.600 0.325 0.000 1.234 436 S CA -1.332 57.062 58.200 0.324 0.000 1.058 436 S CB 1.118 64.524 63.200 0.345 0.000 0.983 436 S HN 0.219 nan 8.310 nan 0.000 0.495 437 P HA -0.063 nan 4.420 nan 0.000 0.217 437 P C 1.015 178.322 177.300 0.010 0.000 1.148 437 P CA 1.334 64.469 63.100 0.058 0.000 0.828 437 P CB 0.059 31.747 31.700 -0.020 0.000 0.783 438 A N -2.335 120.508 122.820 0.038 0.000 2.119 438 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 438 A C 1.264 178.654 177.584 -0.323 0.000 1.153 438 A CA 1.043 52.987 52.037 -0.155 0.000 0.692 438 A CB -1.169 17.704 19.000 -0.211 0.000 0.799 438 A HN 0.174 nan 8.150 nan 0.000 0.458 439 F N -2.398 117.611 119.950 0.099 0.000 2.724 439 F HA 0.321 4.848 4.527 -0.000 0.000 0.310 439 F C 0.285 176.049 175.800 -0.060 0.000 1.107 439 F CA -1.151 56.853 58.000 0.007 0.000 1.218 439 F CB 0.083 39.149 39.000 0.111 0.000 1.042 439 F HN 0.157 nan 8.300 nan 0.000 0.540 440 F N 1.559 121.430 119.950 -0.130 0.000 2.612 440 F HA 0.315 4.842 4.527 -0.000 0.000 0.389 440 F C 1.370 176.722 175.800 -0.746 0.000 1.055 440 F CA 1.156 58.847 58.000 -0.515 0.000 1.232 440 F CB 0.417 39.062 39.000 -0.591 0.000 1.044 440 F HN 0.327 nan 8.300 nan 0.000 0.560 441 G N 3.349 110.890 108.800 -2.099 0.000 2.212 441 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.266 441 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.266 441 G C 0.551 175.192 174.900 -0.431 0.000 0.978 441 G CA 0.490 44.818 45.100 -1.288 0.000 0.632 441 G HN 0.773 nan 8.290 nan 0.000 0.537 442 V N -0.800 118.970 119.914 -0.240 0.000 2.721 442 V HA 0.387 4.507 4.120 -0.000 0.000 0.236 442 V C 0.993 177.182 176.094 0.159 0.000 1.116 442 V CA 1.809 64.074 62.300 -0.059 0.000 1.148 442 V CB 0.356 31.925 31.823 -0.422 0.000 0.886 442 V HN 0.276 nan 8.190 nan 0.000 0.490 443 K N 1.006 121.583 120.400 0.296 0.000 2.668 443 K HA 0.434 4.754 4.320 -0.000 0.000 0.246 443 K C -2.939 173.859 176.600 0.330 0.000 0.976 443 K CA -1.591 54.863 56.287 0.278 0.000 0.902 443 K CB 2.620 35.225 32.500 0.175 0.000 1.172 443 K HN 0.138 nan 8.250 nan 0.000 0.452 444 P HA 0.023 nan 4.420 nan 0.000 0.269 444 P C -0.060 177.223 177.300 -0.029 0.000 1.215 444 P CA -0.051 62.896 63.100 -0.255 0.000 0.780 444 P CB 1.007 32.346 31.700 -0.602 0.000 0.898 445 A N 1.472 124.228 122.820 -0.107 0.000 1.943 445 A HA 0.174 4.494 4.320 -0.000 0.000 0.213 445 A C 0.421 177.950 177.584 -0.091 0.000 1.181 445 A CA 1.372 53.361 52.037 -0.080 0.000 0.653 445 A CB -0.333 18.647 19.000 -0.033 0.000 0.833 445 A HN 0.562 nan 8.150 nan 0.000 0.451 446 T N -0.741 113.737 114.554 -0.127 0.000 3.041 446 T HA 0.498 4.848 4.350 -0.000 0.000 0.321 446 T C -1.318 173.299 174.700 -0.138 0.000 1.184 446 T CA -0.426 61.617 62.100 -0.094 0.000 1.050 446 T CB 1.904 70.733 68.868 -0.066 0.000 1.159 446 T HN 0.043 nan 8.240 nan 0.000 0.469 447 V N 3.797 123.660 119.914 -0.085 0.000 2.350 447 V HA 0.509 4.629 4.120 -0.000 0.000 0.285 447 V C -0.328 175.745 176.094 -0.035 0.000 1.014 447 V CA -0.756 61.489 62.300 -0.092 0.000 0.831 447 V CB 1.093 32.865 31.823 -0.085 0.000 1.000 447 V HN 0.791 nan 8.190 nan 0.000 0.433 448 I N 4.927 125.484 120.570 -0.022 0.000 2.336 448 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 448 I C 0.176 176.311 176.117 0.029 0.000 0.991 448 I CA -0.423 60.883 61.300 0.010 0.000 1.227 448 I CB 1.209 39.219 38.000 0.017 0.000 1.366 448 I HN 0.398 nan 8.210 nan 0.000 0.466 449 K N 4.462 124.884 120.400 0.037 0.000 2.394 449 K HA 0.352 4.672 4.320 -0.000 0.000 0.260 449 K C 0.487 177.120 176.600 0.055 0.000 0.967 449 K CA -0.383 55.932 56.287 0.048 0.000 0.855 449 K CB 1.855 34.382 32.500 0.045 0.000 1.101 449 K HN 0.921 nan 8.250 nan 0.000 0.433 450 G N 1.969 110.804 108.800 0.059 0.000 2.321 450 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.287 450 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.287 450 G C 0.735 175.680 174.900 0.074 0.000 1.018 450 G CA 0.968 46.107 45.100 0.065 0.000 0.855 450 G HN 1.079 nan 8.290 nan 0.000 0.507 451 G N -2.142 106.695 108.800 0.063 0.000 2.175 451 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 451 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 451 G C 0.227 175.151 174.900 0.040 0.000 0.982 451 G CA 0.854 45.986 45.100 0.053 0.000 0.641 451 G HN 1.089 nan 8.290 nan 0.000 0.527 452 M N 0.362 119.989 119.600 0.045 0.000 2.464 452 M HA 0.535 5.015 4.480 -0.000 0.000 0.308 452 M C 0.193 176.519 176.300 0.043 0.000 1.127 452 M CA -0.877 54.448 55.300 0.043 0.000 0.913 452 M CB 2.205 34.837 32.600 0.054 0.000 1.689 452 M HN 0.060 nan 8.290 nan 0.000 0.445 453 I N 1.959 122.556 120.570 0.044 0.000 2.598 453 I HA 0.028 4.198 4.170 -0.000 0.000 0.284 453 I C 0.922 177.061 176.117 0.037 0.000 1.140 453 I CA 0.186 61.506 61.300 0.032 0.000 1.420 453 I CB 1.053 39.070 38.000 0.029 0.000 1.387 453 I HN 0.888 nan 8.210 nan 0.000 0.553 454 A N 7.198 130.031 122.820 0.021 0.000 2.085 454 A HA 0.412 4.732 4.320 -0.000 0.000 0.208 454 A C 0.617 178.203 177.584 0.002 0.000 1.191 454 A CA 0.516 52.562 52.037 0.015 0.000 0.799 454 A CB 0.425 19.437 19.000 0.020 0.000 0.877 454 A HN 0.652 nan 8.150 nan 0.000 0.473 455 I N -2.101 118.476 120.570 0.011 0.000 2.842 455 I HA 0.612 4.782 4.170 -0.000 0.000 0.297 455 I C -1.394 174.762 176.117 0.066 0.000 1.380 455 I CA -0.464 60.860 61.300 0.039 0.000 1.018 455 I CB 2.173 40.211 38.000 0.063 0.000 1.311 455 I HN 0.273 nan 8.210 nan 0.000 0.439 456 A N 5.571 128.436 122.820 0.076 0.000 2.586 456 A HA 0.804 5.124 4.320 -0.000 0.000 0.291 456 A C -3.124 174.315 177.584 -0.243 0.000 1.062 456 A CA -1.123 50.908 52.037 -0.009 0.000 0.666 456 A CB 1.532 20.491 19.000 -0.069 0.000 1.281 456 A HN 0.315 nan 8.150 nan 0.000 0.421 457 P HA 0.534 nan 4.420 nan 0.000 0.276 457 P C -0.791 176.273 177.300 -0.393 0.000 1.230 457 P CA 0.063 62.729 63.100 -0.725 0.000 0.776 457 P CB 0.639 31.915 31.700 -0.705 0.000 0.888 458 M N 2.959 122.333 119.600 -0.376 0.000 2.271 458 M HA 0.588 5.068 4.480 -0.000 0.000 0.285 458 M C -0.231 175.898 176.300 -0.285 0.000 1.059 458 M CA -0.390 54.742 55.300 -0.281 0.000 0.940 458 M CB 1.480 33.931 32.600 -0.248 0.000 1.636 458 M HN 0.406 nan 8.290 nan 0.000 0.460 459 G N 1.382 110.068 108.800 -0.190 0.000 2.535 459 G HA2 0.248 4.207 3.960 -0.000 0.000 0.282 459 G HA3 0.248 4.207 3.960 -0.000 0.000 0.282 459 G C -0.835 173.994 174.900 -0.118 0.000 1.350 459 G CA -0.575 44.439 45.100 -0.143 0.000 1.039 459 G HN 0.762 nan 8.290 nan 0.000 0.509 460 D N -0.162 120.197 120.400 -0.069 0.000 2.793 460 D HA -0.119 4.521 4.640 -0.000 0.000 0.230 460 D C 1.767 178.039 176.300 -0.046 0.000 1.139 460 D CA -0.201 53.774 54.000 -0.041 0.000 0.838 460 D CB 0.221 41.008 40.800 -0.023 0.000 1.149 460 D HN 0.057 nan 8.370 nan 0.000 0.526 461 I N 3.690 124.234 120.570 -0.044 0.000 2.361 461 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 461 I C 1.877 177.980 176.117 -0.022 0.000 1.133 461 I CA 1.047 62.323 61.300 -0.040 0.000 1.413 461 I CB -1.104 36.874 38.000 -0.036 0.000 1.073 461 I HN 0.459 nan 8.210 nan 0.000 0.424 462 N N 0.865 119.556 118.700 -0.015 0.000 2.398 462 N HA 0.123 4.863 4.740 -0.000 0.000 0.188 462 N C 0.664 176.168 175.510 -0.009 0.000 1.122 462 N CA 0.163 53.208 53.050 -0.009 0.000 0.866 462 N CB 0.242 38.726 38.487 -0.004 0.000 0.970 462 N HN 0.284 nan 8.380 nan 0.000 0.462 463 A N -0.502 122.309 122.820 -0.014 0.000 2.327 463 A HA 0.258 4.578 4.320 -0.000 0.000 0.255 463 A C 1.437 179.015 177.584 -0.011 0.000 1.099 463 A CA 0.209 52.238 52.037 -0.014 0.000 0.801 463 A CB 0.042 19.031 19.000 -0.020 0.000 1.062 463 A HN 0.461 nan 8.150 nan 0.000 0.496 464 S N -0.274 115.420 115.700 -0.010 0.000 2.453 464 S HA 0.112 4.582 4.470 -0.000 0.000 0.231 464 S C 0.618 175.213 174.600 -0.008 0.000 1.005 464 S CA 1.024 59.220 58.200 -0.007 0.000 0.949 464 S CB -0.903 62.293 63.200 -0.007 0.000 0.774 464 S HN 0.821 nan 8.310 nan 0.000 0.510 465 I N -2.868 117.695 120.570 -0.013 0.000 3.074 465 I HA 0.479 4.649 4.170 -0.000 0.000 0.310 465 I C -2.512 173.590 176.117 -0.025 0.000 1.153 465 I CA -2.841 58.450 61.300 -0.014 0.000 0.993 465 I CB 1.767 39.759 38.000 -0.014 0.000 1.237 465 I HN -0.340 nan 8.210 nan 0.000 0.443 466 P HA -0.003 nan 4.420 nan 0.000 0.249 466 P C 1.001 178.261 177.300 -0.066 0.000 1.229 466 P CA 0.779 63.850 63.100 -0.049 0.000 0.788 466 P CB 0.059 31.730 31.700 -0.047 0.000 1.072 467 T N -4.409 110.113 114.554 -0.053 0.000 3.051 467 T HA 0.197 4.547 4.350 -0.000 0.000 0.255 467 T C -1.507 173.161 174.700 -0.054 0.000 1.085 467 T CA -0.398 61.667 62.100 -0.059 0.000 1.109 467 T CB -1.928 66.912 68.868 -0.045 0.000 0.921 467 T HN 0.107 nan 8.240 nan 0.000 0.488 468 P HA 0.164 nan 4.420 nan 0.000 0.267 468 P C 0.135 177.413 177.300 -0.035 0.000 1.200 468 P CA -0.094 62.987 63.100 -0.032 0.000 0.772 468 P CB 0.360 32.045 31.700 -0.024 0.000 0.855 469 Q N 2.920 122.707 119.800 -0.023 0.000 2.454 469 Q HA 0.193 4.532 4.340 -0.000 0.000 0.247 469 Q C -1.911 174.091 176.000 0.004 0.000 1.028 469 Q CA -1.143 54.653 55.803 -0.011 0.000 0.910 469 Q CB -0.507 28.229 28.738 -0.003 0.000 1.276 469 Q HN 0.392 nan 8.270 nan 0.000 0.489 470 P HA 0.223 nan 4.420 nan 0.000 0.290 470 P C -0.843 176.486 177.300 0.050 0.000 1.276 470 P CA -0.373 62.767 63.100 0.067 0.000 0.808 470 P CB 0.973 32.749 31.700 0.127 0.000 0.966 471 V N 5.362 125.277 119.914 0.002 0.000 2.370 471 V HA 0.396 4.516 4.120 -0.000 0.000 0.279 471 V C 0.146 176.217 176.094 -0.039 0.000 1.029 471 V CA -0.067 62.169 62.300 -0.108 0.000 0.870 471 V CB 0.225 31.960 31.823 -0.146 0.000 0.984 471 V HN 0.890 nan 8.190 nan 0.000 0.451 472 H N 1.973 120.955 119.070 -0.147 0.000 3.042 472 H HA 0.590 5.146 4.556 -0.000 0.000 0.346 472 H C -1.535 173.695 175.328 -0.162 0.000 1.294 472 H CA -1.106 54.877 56.048 -0.107 0.000 1.141 472 H CB 0.598 30.364 29.762 0.008 0.000 1.872 472 H HN 0.376 nan 8.280 nan 0.000 0.541 473 Y N 1.449 121.785 120.300 0.061 0.000 2.632 473 Y HA 0.229 4.779 4.550 -0.000 0.000 0.329 473 Y C 0.658 176.559 175.900 0.002 0.000 1.174 473 Y CA 0.466 58.562 58.100 -0.006 0.000 1.469 473 Y CB 0.490 38.959 38.460 0.015 0.000 1.242 473 Y HN 0.402 nan 8.280 nan 0.000 0.540 474 R N 4.153 124.670 120.500 0.029 0.000 2.673 474 R HA 0.411 4.751 4.340 -0.000 0.000 0.281 474 R C -3.017 173.270 176.300 -0.023 0.000 0.991 474 R CA -2.387 53.708 56.100 -0.009 0.000 0.896 474 R CB 1.530 31.759 30.300 -0.119 0.000 1.201 474 R HN 0.314 nan 8.270 nan 0.000 0.457 475 P HA 0.037 nan 4.420 nan 0.000 0.268 475 P C -0.401 176.816 177.300 -0.140 0.000 1.204 475 P CA 0.217 63.283 63.100 -0.056 0.000 0.768 475 P CB 0.600 32.270 31.700 -0.050 0.000 0.842 476 M N 1.879 121.398 119.600 -0.135 0.000 2.799 476 M HA 0.336 4.816 4.480 -0.000 0.000 0.274 476 M C 1.396 177.555 176.300 -0.234 0.000 1.137 476 M CA -0.689 54.470 55.300 -0.236 0.000 0.897 476 M CB -0.449 32.091 32.600 -0.101 0.000 1.567 476 M HN 0.243 nan 8.290 nan 0.000 0.536 477 F N 0.535 120.469 119.950 -0.027 0.000 2.250 477 F HA -0.072 4.455 4.527 -0.000 0.000 0.301 477 F C 2.223 178.005 175.800 -0.031 0.000 1.077 477 F CA 1.368 59.349 58.000 -0.031 0.000 1.348 477 F CB -0.824 38.155 39.000 -0.034 0.000 1.040 477 F HN 0.746 nan 8.300 nan 0.000 0.509 478 G N -0.662 108.214 108.800 0.128 0.000 2.679 478 G HA2 0.055 4.015 3.960 -0.000 0.000 0.212 478 G HA3 0.055 4.015 3.960 -0.000 0.000 0.212 478 G C 1.409 176.328 174.900 0.033 0.000 1.137 478 G CA 0.578 45.723 45.100 0.074 0.000 0.787 478 G HN 0.415 nan 8.290 nan 0.000 0.534 479 A N -0.195 122.629 122.820 0.007 0.000 2.465 479 A HA 0.632 4.952 4.320 -0.000 0.000 0.255 479 A C 0.490 178.051 177.584 -0.039 0.000 1.274 479 A CA -0.329 51.698 52.037 -0.016 0.000 0.920 479 A CB 0.139 19.127 19.000 -0.020 0.000 1.033 479 A HN 0.241 nan 8.150 nan 0.000 0.516 480 L N -0.746 120.459 121.223 -0.031 0.000 2.325 480 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 480 L C 1.641 178.452 176.870 -0.098 0.000 1.023 480 L CA -0.385 54.428 54.840 -0.045 0.000 0.811 480 L CB 1.176 43.240 42.059 0.008 0.000 1.249 480 L HN 0.477 nan 8.230 nan 0.000 0.431 481 G N 1.707 110.427 108.800 -0.134 0.000 2.730 481 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.531 481 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.531 481 G C 1.104 175.752 174.900 -0.420 0.000 1.112 481 G CA 1.007 45.973 45.100 -0.224 0.000 0.868 481 G HN 0.652 nan 8.290 nan 0.000 0.740 482 S N 0.641 116.207 115.700 -0.224 0.000 2.442 482 S HA 0.087 4.557 4.470 -0.000 0.000 0.236 482 S C 2.679 177.256 174.600 -0.039 0.000 1.007 482 S CA 1.666 59.799 58.200 -0.112 0.000 0.965 482 S CB -0.434 62.787 63.200 0.035 0.000 0.773 482 S HN 1.123 nan 8.310 nan 0.000 0.504 483 A N 1.704 124.497 122.820 -0.045 0.000 1.969 483 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 483 A C 2.071 179.675 177.584 0.032 0.000 1.169 483 A CA 1.109 53.152 52.037 0.011 0.000 0.635 483 A CB -0.418 18.594 19.000 0.020 0.000 0.810 483 A HN 0.411 nan 8.150 nan 0.000 0.445 484 R N -0.767 119.701 120.500 -0.053 0.000 2.066 484 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 484 R C 1.937 178.264 176.300 0.044 0.000 1.131 484 R CA 1.801 57.880 56.100 -0.035 0.000 0.955 484 R CB -0.543 29.689 30.300 -0.114 0.000 0.851 484 R HN 0.772 nan 8.270 nan 0.000 0.432 485 H N -2.029 117.062 119.070 0.036 0.000 2.426 485 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 485 H C 1.832 177.170 175.328 0.016 0.000 1.107 485 H CA 1.627 57.682 56.048 0.012 0.000 1.298 485 H CB -0.089 29.681 29.762 0.014 0.000 1.377 485 H HN 0.437 nan 8.280 nan 0.000 0.519 486 H N -1.006 118.121 119.070 0.096 0.000 2.535 486 H HA 0.052 4.608 4.556 -0.000 0.000 0.273 486 H C 1.109 176.453 175.328 0.025 0.000 0.983 486 H CA 0.741 56.817 56.048 0.047 0.000 1.238 486 H CB 0.320 30.101 29.762 0.031 0.000 1.412 486 H HN 0.295 nan 8.280 nan 0.000 0.562 487 C N 1.210 120.583 119.300 0.121 0.000 3.183 487 C HA 0.288 4.748 4.460 -0.000 0.000 0.285 487 C C 0.594 175.600 174.990 0.028 0.000 1.313 487 C CA -0.405 58.661 59.018 0.080 0.000 1.711 487 C CB -1.048 26.747 27.740 0.092 0.000 2.135 487 C HN 0.517 nan 8.230 nan 0.000 0.651 488 R N 0.135 120.637 120.500 0.002 0.000 2.888 488 R HA 0.851 5.191 4.340 -0.000 0.000 0.266 488 R C -1.554 174.679 176.300 -0.111 0.000 1.020 488 R CA -0.661 55.420 56.100 -0.031 0.000 0.963 488 R CB 0.983 31.283 30.300 0.000 0.000 1.197 488 R HN 0.086 nan 8.270 nan 0.000 0.481 489 L N 0.594 121.697 121.223 -0.200 0.000 2.362 489 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 489 L C -0.653 175.939 176.870 -0.463 0.000 1.002 489 L CA -0.916 53.694 54.840 -0.383 0.000 0.818 489 L CB 2.752 44.432 42.059 -0.631 0.000 1.298 489 L HN 0.729 nan 8.230 nan 0.000 0.420 490 T N 2.081 116.396 114.554 -0.399 0.000 2.770 490 T HA 0.521 4.871 4.350 -0.000 0.000 0.283 490 T C -0.486 174.032 174.700 -0.305 0.000 0.988 490 T CA -0.271 61.663 62.100 -0.277 0.000 0.957 490 T CB 0.339 69.119 68.868 -0.147 0.000 0.930 490 T HN 0.096 nan 8.240 nan 0.000 0.443 491 F N 3.211 123.175 119.950 0.024 0.000 2.396 491 F HA 0.549 5.076 4.527 -0.000 0.000 0.343 491 F C 0.438 176.261 175.800 0.038 0.000 1.104 491 F CA -0.778 57.246 58.000 0.040 0.000 1.161 491 F CB 0.668 39.706 39.000 0.062 0.000 1.146 491 F HN 0.181 nan 8.300 nan 0.000 0.522 492 L N 1.693 123.053 121.223 0.229 0.000 2.333 492 L HA 0.492 4.832 4.340 -0.000 0.000 0.263 492 L C -0.205 176.745 176.870 0.133 0.000 1.014 492 L CA -1.095 53.826 54.840 0.135 0.000 0.820 492 L CB 2.415 44.517 42.059 0.073 0.000 1.352 492 L HN 0.650 nan 8.230 nan 0.000 0.421 493 S N -0.377 115.378 115.700 0.091 0.000 2.603 493 S HA 0.156 4.626 4.470 -0.000 0.000 0.268 493 S C 0.564 175.199 174.600 0.058 0.000 1.317 493 S CA -0.549 57.694 58.200 0.072 0.000 1.012 493 S CB 1.293 64.524 63.200 0.050 0.000 0.926 493 S HN 0.700 nan 8.310 nan 0.000 0.539 494 Q N 1.083 120.910 119.800 0.046 0.000 2.135 494 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 494 Q C 2.466 178.480 176.000 0.023 0.000 0.981 494 Q CA 1.627 57.450 55.803 0.033 0.000 0.856 494 Q CB -0.632 28.117 28.738 0.019 0.000 0.902 494 Q HN 0.922 nan 8.270 nan 0.000 0.425 495 A N 1.206 124.038 122.820 0.020 0.000 1.877 495 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 495 A C 2.338 179.930 177.584 0.013 0.000 1.186 495 A CA 1.637 53.682 52.037 0.013 0.000 0.620 495 A CB -0.937 18.070 19.000 0.011 0.000 0.822 495 A HN 0.405 nan 8.150 nan 0.000 0.443 496 A N -0.128 122.703 122.820 0.018 0.000 1.902 496 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 496 A C 2.530 180.120 177.584 0.010 0.000 1.181 496 A CA 2.272 54.317 52.037 0.013 0.000 0.623 496 A CB -1.125 17.885 19.000 0.018 0.000 0.818 496 A HN 1.132 nan 8.150 nan 0.000 0.443 497 A N -0.151 122.681 122.820 0.019 0.000 1.892 497 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 497 A C 2.500 180.090 177.584 0.009 0.000 1.188 497 A CA 2.426 54.473 52.037 0.017 0.000 0.631 497 A CB -1.021 17.997 19.000 0.030 0.000 0.822 497 A HN 1.127 nan 8.150 nan 0.000 0.447 498 A N -0.240 122.585 122.820 0.009 0.000 1.968 498 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 498 A C 1.679 179.264 177.584 0.001 0.000 1.169 498 A CA 1.438 53.478 52.037 0.005 0.000 0.638 498 A CB -0.482 18.522 19.000 0.005 0.000 0.812 498 A HN 0.522 nan 8.150 nan 0.000 0.446 499 N N -0.222 118.479 118.700 0.001 0.000 2.571 499 N HA 0.083 4.823 4.740 -0.000 0.000 0.189 499 N C 1.076 176.583 175.510 -0.005 0.000 1.154 499 N CA 1.029 54.078 53.050 -0.002 0.000 0.907 499 N CB -0.073 38.414 38.487 -0.001 0.000 0.977 499 N HN 0.654 nan 8.380 nan 0.000 0.449 500 G N 0.037 108.833 108.800 -0.006 0.000 2.198 500 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 500 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 500 G C 0.976 175.866 174.900 -0.018 0.000 1.042 500 G CA 0.381 45.474 45.100 -0.012 0.000 0.791 500 G HN 0.211 nan 8.290 nan 0.000 0.502 501 V N 0.131 120.034 119.914 -0.018 0.000 2.332 501 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 501 V C 3.232 179.303 176.094 -0.038 0.000 1.055 501 V CA 3.129 65.414 62.300 -0.026 0.000 1.038 501 V CB -0.944 30.866 31.823 -0.021 0.000 0.651 501 V HN 1.018 nan 8.190 nan 0.000 0.450 502 A N -0.116 122.682 122.820 -0.037 0.000 1.883 502 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 502 A C 2.104 179.656 177.584 -0.053 0.000 1.186 502 A CA 2.162 54.169 52.037 -0.050 0.000 0.624 502 A CB -0.476 18.495 19.000 -0.047 0.000 0.822 502 A HN 0.573 nan 8.150 nan 0.000 0.444 503 E N -0.752 119.423 120.200 -0.040 0.000 2.107 503 E HA -0.082 4.267 4.350 -0.000 0.000 0.191 503 E C 2.148 178.725 176.600 -0.039 0.000 0.982 503 E CA 1.123 57.501 56.400 -0.037 0.000 0.809 503 E CB -0.263 29.421 29.700 -0.027 0.000 0.756 503 E HN 0.625 nan 8.360 nan 0.000 0.459 504 R N 0.376 120.854 120.500 -0.037 0.000 2.081 504 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 504 R C 1.715 177.986 176.300 -0.050 0.000 1.131 504 R CA 1.117 57.195 56.100 -0.037 0.000 0.960 504 R CB -0.138 30.143 30.300 -0.032 0.000 0.856 504 R HN 0.202 nan 8.270 nan 0.000 0.436 505 L N 0.380 121.565 121.223 -0.063 0.000 2.558 505 L HA 0.059 4.399 4.340 -0.000 0.000 0.225 505 L C 0.542 177.362 176.870 -0.084 0.000 1.128 505 L CA 0.088 54.879 54.840 -0.082 0.000 0.868 505 L CB -0.310 41.690 42.059 -0.097 0.000 1.006 505 L HN 0.416 nan 8.230 nan 0.000 0.454 506 N N 1.357 120.013 118.700 -0.073 0.000 2.746 506 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 506 N C -0.507 174.940 175.510 -0.105 0.000 1.055 506 N CA -0.118 52.886 53.050 -0.076 0.000 0.699 506 N CB -0.409 38.039 38.487 -0.064 0.000 0.919 506 N HN 0.044 nan 8.380 nan 0.000 0.548 507 L N 1.473 122.628 121.223 -0.113 0.000 2.453 507 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 507 L C 1.834 178.593 176.870 -0.184 0.000 1.182 507 L CA 0.724 55.473 54.840 -0.151 0.000 0.858 507 L CB 0.855 42.837 42.059 -0.130 0.000 1.120 507 L HN 0.176 nan 8.230 nan 0.000 0.474 508 R N 0.286 120.604 120.500 -0.304 0.000 2.254 508 R HA 0.173 4.513 4.340 -0.000 0.000 0.195 508 R C 0.538 176.654 176.300 -0.307 0.000 0.957 508 R CA 0.150 56.026 56.100 -0.373 0.000 1.024 508 R CB 0.061 29.935 30.300 -0.710 0.000 0.952 508 R HN 0.615 nan 8.270 nan 0.000 0.484 509 S N 0.275 115.809 115.700 -0.277 0.000 2.645 509 S HA 0.543 5.013 4.470 -0.000 0.000 0.266 509 S C 0.095 174.618 174.600 -0.128 0.000 1.258 509 S CA -0.573 57.546 58.200 -0.135 0.000 0.990 509 S CB 1.240 64.379 63.200 -0.102 0.000 0.967 509 S HN 0.374 nan 8.310 nan 0.000 0.556 510 A N 1.510 124.251 122.820 -0.131 0.000 2.445 510 A HA 0.436 4.756 4.320 -0.000 0.000 0.242 510 A C -0.126 177.362 177.584 -0.159 0.000 1.075 510 A CA -0.127 51.819 52.037 -0.152 0.000 0.777 510 A CB -0.201 18.689 19.000 -0.184 0.000 1.013 510 A HN 0.587 nan 8.150 nan 0.000 0.493 511 I N 0.687 121.181 120.570 -0.126 0.000 2.460 511 I HA 0.623 4.793 4.170 -0.000 0.000 0.298 511 I C 0.500 176.565 176.117 -0.086 0.000 0.989 511 I CA -0.177 61.056 61.300 -0.111 0.000 1.173 511 I CB 1.213 39.177 38.000 -0.060 0.000 1.338 511 I HN 0.747 nan 8.210 nan 0.000 0.456 512 A N 5.784 128.557 122.820 -0.078 0.000 2.449 512 A HA 0.792 5.112 4.320 -0.000 0.000 0.302 512 A C -1.121 176.614 177.584 0.252 0.000 1.048 512 A CA -0.504 51.575 52.037 0.070 0.000 0.708 512 A CB 1.723 20.715 19.000 -0.015 0.000 1.274 512 A HN 0.365 nan 8.150 nan 0.000 0.410 513 V N 2.096 122.195 119.914 0.309 0.000 2.581 513 V HA 0.567 4.687 4.120 -0.000 0.000 0.303 513 V C 0.374 176.675 176.094 0.346 0.000 1.041 513 V CA -0.556 61.907 62.300 0.270 0.000 0.907 513 V CB 1.574 33.487 31.823 0.152 0.000 0.994 513 V HN 1.065 nan 8.190 nan 0.000 0.442 514 V N 2.567 122.627 119.914 0.243 0.000 2.686 514 V HA 0.814 4.934 4.120 -0.000 0.000 0.295 514 V C -0.389 175.742 176.094 0.061 0.000 1.057 514 V CA -0.506 61.903 62.300 0.183 0.000 1.012 514 V CB 0.985 32.865 31.823 0.096 0.000 1.006 514 V HN 1.072 nan 8.190 nan 0.000 0.477 515 K N 1.979 122.374 120.400 -0.009 0.000 2.587 515 K HA 0.710 5.030 4.320 -0.000 0.000 0.276 515 K C 0.077 176.634 176.600 -0.072 0.000 0.956 515 K CA -0.574 55.669 56.287 -0.074 0.000 0.857 515 K CB 1.489 33.897 32.500 -0.154 0.000 1.431 515 K HN 1.920 nan 8.250 nan 0.000 0.420 516 G N 0.714 109.478 108.800 -0.060 0.000 2.171 516 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.238 516 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.238 516 G C 0.468 175.338 174.900 -0.050 0.000 1.039 516 G CA 0.080 45.149 45.100 -0.053 0.000 0.759 516 G HN 0.659 nan 8.290 nan 0.000 0.501 517 C N -0.327 118.943 119.300 -0.051 0.000 2.533 517 C HA 0.185 4.645 4.460 -0.000 0.000 0.272 517 C C 2.423 177.367 174.990 -0.076 0.000 1.371 517 C CA 0.838 59.813 59.018 -0.072 0.000 1.758 517 C CB -0.417 27.282 27.740 -0.069 0.000 1.972 517 C HN 0.584 nan 8.230 nan 0.000 0.522 518 R N 1.094 121.560 120.500 -0.058 0.000 2.254 518 R HA 0.022 4.362 4.340 -0.000 0.000 0.195 518 R C 1.857 178.128 176.300 -0.049 0.000 0.957 518 R CA 1.367 57.436 56.100 -0.053 0.000 1.024 518 R CB -1.085 29.189 30.300 -0.042 0.000 0.952 518 R HN 0.700 nan 8.270 nan 0.000 0.484 519 T N -1.643 112.882 114.554 -0.048 0.000 3.044 519 T HA 0.112 4.462 4.350 -0.000 0.000 0.250 519 T C 1.075 175.747 174.700 -0.046 0.000 1.081 519 T CA -0.213 61.861 62.100 -0.043 0.000 1.040 519 T CB -0.238 68.607 68.868 -0.038 0.000 0.962 519 T HN -0.048 nan 8.240 nan 0.000 0.506 520 V N 1.824 121.703 119.914 -0.058 0.000 2.715 520 V HA 0.564 4.684 4.120 -0.000 0.000 0.299 520 V C -0.330 175.726 176.094 -0.063 0.000 1.054 520 V CA -0.983 61.279 62.300 -0.063 0.000 1.077 520 V CB 0.464 32.239 31.823 -0.080 0.000 0.972 520 V HN 0.721 nan 8.190 nan 0.000 0.484 521 Q N 1.749 121.515 119.800 -0.056 0.000 2.615 521 Q HA 0.540 4.880 4.340 -0.000 0.000 0.298 521 Q C 0.367 176.336 176.000 -0.050 0.000 1.023 521 Q CA -1.130 54.644 55.803 -0.049 0.000 0.768 521 Q CB 1.616 30.333 28.738 -0.034 0.000 1.500 521 Q HN 0.336 nan 8.270 nan 0.000 0.441 522 K N 0.900 121.275 120.400 -0.042 0.000 2.089 522 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 522 K C 1.782 178.360 176.600 -0.035 0.000 1.048 522 K CA 2.520 58.783 56.287 -0.041 0.000 0.926 522 K CB -0.883 31.600 32.500 -0.028 0.000 0.714 522 K HN 0.691 nan 8.250 nan 0.000 0.448 523 A N 0.477 123.280 122.820 -0.029 0.000 2.070 523 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 523 A C 1.377 178.941 177.584 -0.034 0.000 1.159 523 A CA 1.883 53.905 52.037 -0.024 0.000 0.656 523 A CB -0.397 18.592 19.000 -0.019 0.000 0.800 523 A HN 0.389 nan 8.150 nan 0.000 0.453 524 D N -0.583 119.790 120.400 -0.046 0.000 2.347 524 D HA 0.032 4.672 4.640 -0.000 0.000 0.213 524 D C 0.359 176.611 176.300 -0.079 0.000 0.985 524 D CA 0.294 54.258 54.000 -0.059 0.000 0.879 524 D CB -0.103 40.663 40.800 -0.058 0.000 0.919 524 D HN 0.280 nan 8.370 nan 0.000 0.526 525 M N 1.723 121.279 119.600 -0.074 0.000 2.251 525 M HA 0.061 4.541 4.480 -0.000 0.000 0.346 525 M C -0.032 176.207 176.300 -0.102 0.000 1.499 525 M CA -0.233 55.016 55.300 -0.084 0.000 1.128 525 M CB 0.729 33.290 32.600 -0.064 0.000 1.809 525 M HN -0.323 nan 8.290 nan 0.000 0.464 526 V N 6.439 126.251 119.914 -0.170 0.000 2.475 526 V HA -0.083 4.037 4.120 -0.000 0.000 0.292 526 V C 1.180 177.168 176.094 -0.178 0.000 1.003 526 V CA 0.338 62.460 62.300 -0.297 0.000 1.120 526 V CB -0.938 30.601 31.823 -0.474 0.000 0.937 526 V HN 0.901 nan 8.190 nan 0.000 0.476 527 H N 2.634 121.722 119.070 0.030 0.000 3.366 527 H HA -0.161 4.395 4.556 -0.000 0.000 0.233 527 H C 0.566 175.922 175.328 0.046 0.000 1.102 527 H CA 1.350 57.449 56.048 0.085 0.000 1.184 527 H CB -1.182 28.567 29.762 -0.021 0.000 1.216 527 H HN 0.839 nan 8.280 nan 0.000 0.317 528 N N 0.189 118.942 118.700 0.089 0.000 2.703 528 N HA 0.137 4.877 4.740 -0.000 0.000 0.283 528 N C 0.199 175.723 175.510 0.023 0.000 1.851 528 N CA 0.643 53.721 53.050 0.047 0.000 0.826 528 N CB 1.051 39.542 38.487 0.007 0.000 1.239 528 N HN 0.305 nan 8.380 nan 0.000 0.495 529 S N -0.771 114.953 115.700 0.039 0.000 2.650 529 S HA 0.154 4.624 4.470 -0.000 0.000 0.240 529 S C 0.379 174.990 174.600 0.019 0.000 1.007 529 S CA -0.427 57.782 58.200 0.016 0.000 0.984 529 S CB 0.272 63.480 63.200 0.012 0.000 0.910 529 S HN 0.249 nan 8.310 nan 0.000 0.509 530 L N 2.643 123.885 121.223 0.032 0.000 2.453 530 L HA 0.340 4.680 4.340 -0.000 0.000 0.272 530 L C -0.145 176.732 176.870 0.012 0.000 1.182 530 L CA 0.899 55.755 54.840 0.027 0.000 0.858 530 L CB 0.483 42.566 42.059 0.040 0.000 1.120 530 L HN 0.299 nan 8.230 nan 0.000 0.474 531 Q N 6.903 126.702 119.800 -0.002 0.000 2.607 531 Q HA 0.378 4.718 4.340 -0.000 0.000 0.247 531 Q C -2.244 173.741 176.000 -0.024 0.000 1.033 531 Q CA -1.752 54.039 55.803 -0.021 0.000 0.769 531 Q CB 0.966 29.680 28.738 -0.040 0.000 1.169 531 Q HN 0.553 nan 8.270 nan 0.000 0.508 532 P HA 0.028 nan 4.420 nan 0.000 0.275 532 P C -0.522 176.763 177.300 -0.025 0.000 1.228 532 P CA -0.383 62.713 63.100 -0.007 0.000 0.786 532 P CB 0.850 32.559 31.700 0.014 0.000 0.927 533 N N 2.636 121.321 118.700 -0.024 0.000 2.895 533 N HA 0.121 4.861 4.740 -0.000 0.000 0.277 533 N C -0.459 175.042 175.510 -0.015 0.000 1.185 533 N CA -0.239 52.792 53.050 -0.031 0.000 1.106 533 N CB -1.074 37.397 38.487 -0.025 0.000 1.422 533 N HN 0.418 nan 8.380 nan 0.000 0.521 534 I N 1.985 122.550 120.570 -0.009 0.000 2.440 534 I HA 0.417 4.587 4.170 -0.000 0.000 0.294 534 I C -0.397 175.728 176.117 0.012 0.000 0.995 534 I CA -0.260 61.046 61.300 0.009 0.000 1.306 534 I CB 0.953 38.971 38.000 0.030 0.000 1.407 534 I HN 0.452 nan 8.210 nan 0.000 0.501 535 T N 4.028 118.590 114.554 0.013 0.000 2.909 535 T HA 0.644 4.994 4.350 -0.000 0.000 0.299 535 T C -0.865 173.846 174.700 0.018 0.000 1.073 535 T CA -0.730 61.377 62.100 0.013 0.000 0.999 535 T CB 1.745 70.616 68.868 0.005 0.000 1.098 535 T HN 0.276 nan 8.240 nan 0.000 0.477 536 V N 1.976 121.903 119.914 0.021 0.000 2.540 536 V HA 0.416 4.536 4.120 -0.000 0.000 0.302 536 V C -0.305 175.811 176.094 0.037 0.000 1.035 536 V CA -0.855 61.465 62.300 0.033 0.000 0.873 536 V CB 1.765 33.608 31.823 0.033 0.000 0.992 536 V HN 1.044 nan 8.190 nan 0.000 0.428 537 D N 3.347 123.779 120.400 0.053 0.000 2.339 537 D HA 0.260 4.900 4.640 -0.000 0.000 0.256 537 D C 1.058 177.410 176.300 0.087 0.000 1.214 537 D CA 0.388 54.413 54.000 0.042 0.000 0.877 537 D CB 2.090 42.903 40.800 0.023 0.000 1.111 537 D HN 0.654 nan 8.370 nan 0.000 0.478 538 A N 4.345 127.193 122.820 0.047 0.000 1.948 538 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 538 A C 1.888 179.517 177.584 0.074 0.000 1.177 538 A CA 1.660 53.738 52.037 0.069 0.000 0.636 538 A CB -0.119 18.870 19.000 -0.017 0.000 0.815 538 A HN 0.625 nan 8.150 nan 0.000 0.449 539 Q N -0.989 118.790 119.800 -0.036 0.000 2.084 539 Q HA -0.015 4.325 4.340 -0.000 0.000 0.194 539 Q C 2.298 178.079 176.000 -0.364 0.000 0.969 539 Q CA 1.927 57.635 55.803 -0.159 0.000 0.829 539 Q CB -0.626 28.046 28.738 -0.109 0.000 0.904 539 Q HN 0.756 nan 8.270 nan 0.000 0.464 540 T N -2.862 111.562 114.554 -0.218 0.000 3.055 540 T HA -0.084 4.266 4.350 -0.000 0.000 0.265 540 T C -0.071 174.545 174.700 -0.141 0.000 1.111 540 T CA 0.564 62.531 62.100 -0.222 0.000 1.118 540 T CB -0.114 68.700 68.868 -0.090 0.000 0.909 540 T HN 0.278 nan 8.240 nan 0.000 0.501 541 Y N 0.372 120.658 120.300 -0.025 0.000 4.907 541 Y HA -0.179 4.371 4.550 -0.000 0.000 0.246 541 Y C 0.278 176.159 175.900 -0.032 0.000 0.968 541 Y CA -0.210 57.873 58.100 -0.028 0.000 1.961 541 Y CB -2.782 35.658 38.460 -0.033 0.000 1.487 541 Y HN 0.517 nan 8.280 nan 0.000 0.575 542 E N 0.411 120.674 120.200 0.105 0.000 2.384 542 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 542 E C 0.009 176.631 176.600 0.036 0.000 1.012 542 E CA -0.099 56.330 56.400 0.048 0.000 0.901 542 E CB 1.101 30.813 29.700 0.020 0.000 0.967 542 E HN 0.016 nan 8.360 nan 0.000 0.435 543 V N 4.568 124.491 119.914 0.015 0.000 2.407 543 V HA 0.344 4.464 4.120 -0.000 0.000 0.278 543 V C 0.151 176.247 176.094 0.003 0.000 1.037 543 V CA -0.376 61.929 62.300 0.007 0.000 0.900 543 V CB 1.042 32.859 31.823 -0.011 0.000 0.983 543 V HN 0.604 nan 8.190 nan 0.000 0.459 544 R N 3.016 123.520 120.500 0.006 0.000 2.686 544 R HA 0.789 5.129 4.340 -0.000 0.000 0.283 544 R C -1.682 174.621 176.300 0.004 0.000 0.978 544 R CA -0.744 55.359 56.100 0.004 0.000 0.897 544 R CB 2.663 32.965 30.300 0.004 0.000 1.192 544 R HN 0.485 nan 8.270 nan 0.000 0.457 545 V N 3.028 122.944 119.914 0.002 0.000 2.407 545 V HA 0.161 4.281 4.120 -0.000 0.000 0.291 545 V C -0.338 175.756 176.094 0.001 0.000 1.018 545 V CA -0.508 61.793 62.300 0.002 0.000 0.842 545 V CB 1.580 33.405 31.823 0.004 0.000 0.996 545 V HN 0.879 nan 8.190 nan 0.000 0.426 546 D N 4.348 124.747 120.400 -0.002 0.000 2.837 546 D HA -0.217 4.423 4.640 -0.000 0.000 0.230 546 D C 1.347 177.646 176.300 -0.002 0.000 1.152 546 D CA 1.744 55.742 54.000 -0.003 0.000 0.736 546 D CB -1.009 39.790 40.800 -0.002 0.000 1.084 546 D HN 1.374 nan 8.370 nan 0.000 0.429 547 G N 0.040 108.839 108.800 -0.001 0.000 2.284 547 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.247 547 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.247 547 G C 0.143 175.043 174.900 0.000 0.000 1.012 547 G CA 0.706 45.805 45.100 -0.001 0.000 0.618 547 G HN 0.698 nan 8.290 nan 0.000 0.521 548 E N 1.290 121.490 120.200 0.001 0.000 2.338 548 E HA 0.540 4.890 4.350 -0.000 0.000 0.272 548 E C 0.135 176.736 176.600 0.002 0.000 1.029 548 E CA -0.944 55.457 56.400 0.002 0.000 0.872 548 E CB 1.644 31.346 29.700 0.004 0.000 1.015 548 E HN 0.447 nan 8.360 nan 0.000 0.417 549 L N 4.309 125.534 121.223 0.003 0.000 2.410 549 L HA 0.173 4.513 4.340 -0.000 0.000 0.273 549 L C -0.758 176.113 176.870 0.001 0.000 1.152 549 L CA -0.107 54.735 54.840 0.002 0.000 0.855 549 L CB 0.486 42.547 42.059 0.003 0.000 1.129 549 L HN 0.563 nan 8.230 nan 0.000 0.463 550 I N 5.013 125.581 120.570 -0.004 0.000 2.359 550 I HA 0.544 4.714 4.170 -0.000 0.000 0.294 550 I C 0.339 176.447 176.117 -0.015 0.000 0.987 550 I CA -0.096 61.198 61.300 -0.010 0.000 1.225 550 I CB 0.866 38.855 38.000 -0.020 0.000 1.366 550 I HN 0.744 nan 8.210 nan 0.000 0.466 551 T N 3.823 118.373 114.554 -0.006 0.000 2.686 551 T HA 0.643 4.993 4.350 -0.000 0.000 0.308 551 T C -1.319 173.400 174.700 0.031 0.000 1.667 551 T CA -0.264 61.836 62.100 -0.001 0.000 0.987 551 T CB 1.312 70.187 68.868 0.012 0.000 1.652 551 T HN 0.867 nan 8.240 nan 0.000 0.496 552 S N 0.818 116.562 115.700 0.074 0.000 2.611 552 S HA 0.733 5.203 4.470 -0.000 0.000 0.268 552 S C -1.872 172.854 174.600 0.209 0.000 1.156 552 S CA -0.991 57.280 58.200 0.118 0.000 0.817 552 S CB 1.795 65.066 63.200 0.118 0.000 1.122 552 S HN 0.673 nan 8.310 nan 0.000 0.466 553 E N 1.693 121.976 120.200 0.139 0.000 2.242 553 E HA 0.549 4.899 4.350 -0.000 0.000 0.275 553 E C -2.570 173.987 176.600 -0.072 0.000 1.002 553 E CA -2.187 54.252 56.400 0.065 0.000 0.841 553 E CB 1.346 31.052 29.700 0.010 0.000 1.109 553 E HN 0.513 nan 8.360 nan 0.000 0.394 554 P HA 0.199 nan 4.420 nan 0.000 0.285 554 P C -0.945 176.182 177.300 -0.290 0.000 1.259 554 P CA -0.372 62.309 63.100 -0.699 0.000 0.794 554 P CB 1.015 32.040 31.700 -1.123 0.000 0.940 555 A N 3.061 125.769 122.820 -0.187 0.000 2.354 555 A HA 0.238 4.558 4.320 -0.000 0.000 0.269 555 A C 1.213 178.751 177.584 -0.078 0.000 1.109 555 A CA -0.374 51.615 52.037 -0.079 0.000 0.800 555 A CB 0.062 19.055 19.000 -0.012 0.000 1.045 555 A HN 0.665 nan 8.150 nan 0.000 0.489 556 D N 0.715 121.088 120.400 -0.045 0.000 2.338 556 D HA 0.088 4.728 4.640 -0.000 0.000 0.208 556 D C 0.078 176.369 176.300 -0.014 0.000 0.997 556 D CA 0.569 54.548 54.000 -0.035 0.000 0.880 556 D CB 0.070 40.853 40.800 -0.029 0.000 0.980 556 D HN 0.200 nan 8.370 nan 0.000 0.509 557 V N 0.824 120.739 119.914 0.000 0.000 2.888 557 V HA 0.415 4.535 4.120 -0.000 0.000 0.309 557 V C -0.657 175.450 176.094 0.021 0.000 1.114 557 V CA -0.868 61.438 62.300 0.010 0.000 0.940 557 V CB 2.738 34.568 31.823 0.011 0.000 1.021 557 V HN 0.056 nan 8.190 nan 0.000 0.426 558 L N 4.074 125.305 121.223 0.014 0.000 2.333 558 L HA 0.673 5.013 4.340 -0.000 0.000 0.263 558 L C -2.427 174.421 176.870 -0.036 0.000 1.014 558 L CA -1.732 53.106 54.840 -0.002 0.000 0.820 558 L CB 2.913 44.981 42.059 0.014 0.000 1.352 558 L HN 0.470 nan 8.230 nan 0.000 0.421 559 P HA 0.368 nan 4.420 nan 0.000 0.293 559 P C -0.371 176.939 177.300 0.016 0.000 1.304 559 P CA -0.576 62.453 63.100 -0.117 0.000 0.767 559 P CB 0.394 31.885 31.700 -0.349 0.000 1.247 560 M N -2.617 117.056 119.600 0.122 0.000 2.333 560 M HA -0.285 4.195 4.480 -0.000 0.000 0.199 560 M C 0.253 176.735 176.300 0.303 0.000 0.376 560 M CA 0.814 56.192 55.300 0.130 0.000 0.440 560 M CB -2.233 30.355 32.600 -0.021 0.000 1.506 560 M HN 0.485 nan 8.290 nan 0.000 0.889 561 A N -0.267 122.772 122.820 0.364 0.000 2.446 561 A HA 0.292 4.612 4.320 -0.000 0.000 0.199 561 A C 1.088 178.905 177.584 0.388 0.000 1.677 561 A CA 0.212 52.450 52.037 0.335 0.000 1.600 561 A CB 0.026 19.112 19.000 0.143 0.000 1.583 561 A HN 0.444 nan 8.150 nan 0.000 0.551 562 Q N -0.196 119.722 119.800 0.196 0.000 2.368 562 Q HA -0.147 4.193 4.340 -0.000 0.000 0.210 562 Q C 1.895 177.929 176.000 0.057 0.000 0.982 562 Q CA 1.432 57.316 55.803 0.136 0.000 0.884 562 Q CB -0.121 28.654 28.738 0.062 0.000 0.933 562 Q HN 0.538 nan 8.270 nan 0.000 0.460 563 R N -0.549 119.935 120.500 -0.026 0.000 2.240 563 R HA -0.083 4.257 4.340 -0.000 0.000 0.203 563 R C 0.669 176.701 176.300 -0.446 0.000 1.011 563 R CA 0.821 56.744 56.100 -0.295 0.000 1.007 563 R CB 0.328 30.328 30.300 -0.501 0.000 0.911 563 R HN 0.267 nan 8.270 nan 0.000 0.468 564 Y N -1.897 118.390 120.300 -0.022 0.000 2.444 564 Y HA 0.279 4.829 4.550 -0.000 0.000 0.252 564 Y C -0.200 175.475 175.900 -0.374 0.000 1.091 564 Y CA -0.525 57.462 58.100 -0.187 0.000 1.276 564 Y CB 0.581 38.842 38.460 -0.332 0.000 1.170 564 Y HN -0.163 nan 8.280 nan 0.000 0.517 565 F N -0.235 119.826 119.950 0.185 0.000 2.450 565 F HA 0.304 4.831 4.527 -0.000 0.000 0.332 565 F C 0.732 176.554 175.800 0.037 0.000 1.093 565 F CA -0.975 57.104 58.000 0.132 0.000 1.003 565 F CB 1.478 40.560 39.000 0.138 0.000 1.151 565 F HN -0.236 nan 8.300 nan 0.000 0.474 566 L N 1.872 123.203 121.223 0.180 0.000 2.313 566 L HA 0.218 4.558 4.340 -0.000 0.000 0.214 566 L C -0.569 176.096 176.870 -0.341 0.000 1.119 566 L CA 1.648 56.424 54.840 -0.107 0.000 0.809 566 L CB -0.400 41.584 42.059 -0.125 0.000 0.933 566 L HN 0.466 nan 8.230 nan 0.000 0.449 567 F N 0.000 120.047 119.950 0.162 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.056 58.000 0.092 0.000 1.383 567 F CB 0.000 39.037 39.000 0.061 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574