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 1a5o_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 GVIGLCIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCHH LDPDIAEDVA 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 0.000 174.618 174.600 0.030 0.000 1.055 2 S CA 0.000 58.221 58.200 0.035 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 N N 0.014 118.733 118.700 0.030 0.000 2.329 3 N HA 0.743 5.483 4.740 -0.000 0.000 0.282 3 N C -1.956 173.576 175.510 0.036 0.000 1.198 3 N CA -0.335 52.725 53.050 0.018 0.000 0.790 3 N CB 2.650 41.141 38.487 0.007 0.000 1.579 3 N HN 0.694 nan 8.380 nan 0.000 0.475 4 I N 0.759 121.349 120.570 0.033 0.000 2.752 4 I HA 0.246 4.416 4.170 -0.000 0.000 0.295 4 I C -0.099 176.047 176.117 0.048 0.000 1.219 4 I CA -0.455 60.890 61.300 0.075 0.000 1.030 4 I CB 1.930 40.034 38.000 0.173 0.000 1.259 4 I HN 0.611 nan 8.210 nan 0.000 0.423 5 S N 6.004 121.738 115.700 0.057 0.000 2.585 5 S HA 0.350 4.820 4.470 -0.000 0.000 0.273 5 S C 1.037 175.677 174.600 0.067 0.000 1.339 5 S CA -0.451 57.772 58.200 0.037 0.000 1.028 5 S CB 1.552 64.772 63.200 0.033 0.000 0.906 5 S HN 0.793 nan 8.310 nan 0.000 0.528 6 R N 0.494 121.009 120.500 0.025 0.000 2.105 6 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 6 R C 2.404 178.776 176.300 0.120 0.000 1.135 6 R CA 1.829 57.954 56.100 0.042 0.000 0.967 6 R CB -0.473 29.822 30.300 -0.009 0.000 0.861 6 R HN 0.803 nan 8.270 nan 0.000 0.442 7 Q N 0.719 120.570 119.800 0.085 0.000 2.016 7 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 7 Q C 1.933 177.989 176.000 0.094 0.000 0.978 7 Q CA 2.177 58.030 55.803 0.083 0.000 0.833 7 Q CB -0.378 28.392 28.738 0.052 0.000 0.895 7 Q HN 0.298 nan 8.270 nan 0.000 0.427 8 A N -0.635 122.238 122.820 0.088 0.000 1.940 8 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 8 A C 2.067 179.707 177.584 0.094 0.000 1.176 8 A CA 1.569 53.646 52.037 0.066 0.000 0.631 8 A CB -1.117 17.919 19.000 0.061 0.000 0.814 8 A HN 0.636 nan 8.150 nan 0.000 0.446 9 Y N 0.505 120.847 120.300 0.070 0.000 2.181 9 Y HA -0.098 4.452 4.550 -0.000 0.000 0.288 9 Y C 2.636 178.637 175.900 0.169 0.000 1.146 9 Y CA 1.320 59.520 58.100 0.166 0.000 1.164 9 Y CB -0.422 38.103 38.460 0.109 0.000 0.982 9 Y HN 0.309 nan 8.280 nan 0.000 0.515 10 A N -0.171 122.811 122.820 0.269 0.000 1.930 10 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 10 A C 1.790 179.404 177.584 0.049 0.000 1.175 10 A CA 1.914 54.060 52.037 0.183 0.000 0.627 10 A CB -0.700 18.398 19.000 0.165 0.000 0.815 10 A HN 0.513 nan 8.150 nan 0.000 0.443 11 D N -1.014 119.388 120.400 0.004 0.000 2.178 11 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 11 D C 1.911 178.119 176.300 -0.154 0.000 0.974 11 D CA 1.099 55.069 54.000 -0.050 0.000 0.841 11 D CB -0.221 40.556 40.800 -0.039 0.000 0.953 11 D HN 0.467 nan 8.370 nan 0.000 0.478 12 M N -1.181 118.246 119.600 -0.289 0.000 2.191 12 M HA 0.010 4.490 4.480 -0.000 0.000 0.262 12 M C 0.586 176.409 176.300 -0.795 0.000 1.083 12 M CA 1.269 56.181 55.300 -0.647 0.000 1.154 12 M CB 0.246 32.251 32.600 -0.991 0.000 1.344 12 M HN -0.081 nan 8.290 nan 0.000 0.431 13 F N -0.058 119.728 119.950 -0.274 0.000 2.688 13 F HA 0.475 5.002 4.527 -0.000 0.000 0.310 13 F C 0.848 176.604 175.800 -0.072 0.000 1.098 13 F CA 0.063 57.935 58.000 -0.214 0.000 1.228 13 F CB -0.020 38.744 39.000 -0.392 0.000 1.042 13 F HN 0.253 nan 8.300 nan 0.000 0.557 14 G N 1.623 110.477 108.800 0.090 0.000 2.730 14 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 14 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 14 G C -2.931 172.098 174.900 0.216 0.000 1.343 14 G CA -1.394 43.788 45.100 0.136 0.000 0.826 14 G HN -0.024 nan 8.290 nan 0.000 0.582 15 P HA 0.364 nan 4.420 nan 0.000 0.268 15 P C 0.191 177.636 177.300 0.241 0.000 1.208 15 P CA 0.541 63.763 63.100 0.203 0.000 0.777 15 P CB 1.468 33.248 31.700 0.134 0.000 0.875 16 T N 0.151 114.839 114.554 0.223 0.000 2.762 16 T HA 0.281 4.631 4.350 -0.000 0.000 0.272 16 T C -0.373 174.403 174.700 0.127 0.000 0.982 16 T CA -0.796 61.426 62.100 0.204 0.000 1.013 16 T CB 0.633 69.624 68.868 0.205 0.000 1.309 16 T HN 0.109 nan 8.240 nan 0.000 0.572 17 V N 2.146 122.133 119.914 0.122 0.000 2.583 17 V HA 0.308 4.428 4.120 -0.000 0.000 0.302 17 V C 1.832 177.962 176.094 0.060 0.000 1.033 17 V CA 1.715 64.067 62.300 0.086 0.000 1.194 17 V CB -0.186 31.689 31.823 0.086 0.000 0.879 17 V HN 1.305 nan 8.190 nan 0.000 0.482 18 G N 3.683 112.514 108.800 0.052 0.000 2.234 18 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.235 18 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.235 18 G C -0.041 174.883 174.900 0.040 0.000 0.997 18 G CA 0.055 45.177 45.100 0.037 0.000 0.623 18 G HN 0.671 nan 8.290 nan 0.000 0.514 19 D N 1.228 121.664 120.400 0.059 0.000 2.339 19 D HA 0.566 5.206 4.640 -0.000 0.000 0.245 19 D C 0.619 176.972 176.300 0.089 0.000 1.115 19 D CA 0.358 54.403 54.000 0.074 0.000 0.917 19 D CB 0.935 41.792 40.800 0.095 0.000 1.192 19 D HN 0.408 nan 8.370 nan 0.000 0.428 20 K N 0.115 120.590 120.400 0.125 0.000 2.267 20 K HA 0.696 5.016 4.320 -0.000 0.000 0.246 20 K C -1.073 175.694 176.600 0.277 0.000 0.954 20 K CA -0.978 55.433 56.287 0.207 0.000 0.824 20 K CB 2.326 34.962 32.500 0.227 0.000 1.167 20 K HN 0.074 nan 8.250 nan 0.000 0.431 21 V N 1.728 121.776 119.914 0.223 0.000 2.686 21 V HA 0.366 4.486 4.120 -0.000 0.000 0.306 21 V C -0.554 175.387 176.094 -0.256 0.000 1.065 21 V CA -0.986 61.323 62.300 0.014 0.000 0.894 21 V CB 1.780 33.566 31.823 -0.062 0.000 1.004 21 V HN 0.703 nan 8.190 nan 0.000 0.424 22 R N 3.976 124.073 120.500 -0.672 0.000 2.441 22 R HA 0.542 4.882 4.340 -0.000 0.000 0.284 22 R C -1.019 174.911 176.300 -0.617 0.000 1.070 22 R CA -0.523 54.928 56.100 -1.082 0.000 1.047 22 R CB 0.677 30.183 30.300 -1.322 0.000 1.016 22 R HN 0.708 nan 8.270 nan 0.000 0.477 23 L N 5.981 126.852 121.223 -0.586 0.000 2.261 23 L HA 0.296 4.636 4.340 -0.000 0.000 0.289 23 L C 1.097 177.761 176.870 -0.344 0.000 1.059 23 L CA 0.107 54.645 54.840 -0.503 0.000 0.816 23 L CB 0.748 42.423 42.059 -0.639 0.000 1.191 23 L HN 1.138 nan 8.230 nan 0.000 0.431 24 A N 4.245 126.919 122.820 -0.244 0.000 5.391 24 A HA -0.314 4.006 4.320 -0.000 0.000 0.315 24 A C 0.674 178.154 177.584 -0.174 0.000 1.874 24 A CA 1.603 53.535 52.037 -0.175 0.000 0.714 24 A CB -1.108 17.771 19.000 -0.201 0.000 1.335 24 A HN 0.947 nan 8.150 nan 0.000 0.382 25 D N -0.014 120.320 120.400 -0.110 0.000 2.643 25 D HA 0.389 5.029 4.640 -0.000 0.000 0.244 25 D C 0.531 176.714 176.300 -0.195 0.000 1.257 25 D CA 0.905 54.826 54.000 -0.131 0.000 0.831 25 D CB -0.902 39.860 40.800 -0.063 0.000 1.043 25 D HN 1.080 nan 8.370 nan 0.000 0.488 26 T N -3.053 111.354 114.554 -0.245 0.000 2.880 26 T HA 0.323 4.673 4.350 -0.000 0.000 0.279 26 T C 0.770 175.403 174.700 -0.111 0.000 0.990 26 T CA -0.546 61.394 62.100 -0.266 0.000 0.938 26 T CB 1.837 70.590 68.868 -0.192 0.000 1.206 26 T HN -0.235 nan 8.240 nan 0.000 0.573 27 E N -0.014 120.291 120.200 0.175 0.000 2.465 27 E HA 0.276 4.626 4.350 -0.000 0.000 0.191 27 E C 0.032 176.745 176.600 0.189 0.000 1.053 27 E CA -0.079 56.455 56.400 0.224 0.000 0.869 27 E CB -0.180 29.700 29.700 0.300 0.000 0.977 27 E HN 0.539 nan 8.360 nan 0.000 0.483 28 L N 0.733 121.966 121.223 0.018 0.000 2.319 28 L HA 0.222 4.561 4.340 -0.000 0.000 0.280 28 L C -0.436 176.342 176.870 -0.153 0.000 1.099 28 L CA -0.257 54.580 54.840 -0.004 0.000 0.828 28 L CB 0.400 42.413 42.059 -0.077 0.000 1.150 28 L HN -0.069 nan 8.230 nan 0.000 0.442 29 W N 4.796 126.049 121.300 -0.078 0.000 2.656 29 W HA 0.589 5.249 4.660 -0.000 0.000 0.327 29 W C -0.147 176.311 176.519 -0.101 0.000 1.041 29 W CA -0.470 56.821 57.345 -0.091 0.000 1.229 29 W CB 1.497 30.926 29.460 -0.052 0.000 1.397 29 W HN 0.243 nan 8.180 nan 0.000 0.479 30 I N -0.231 120.382 120.570 0.073 0.000 2.607 30 I HA 0.692 4.862 4.170 -0.000 0.000 0.305 30 I C -0.450 175.706 176.117 0.065 0.000 0.995 30 I CA -1.053 60.250 61.300 0.005 0.000 1.148 30 I CB 2.118 40.039 38.000 -0.132 0.000 1.323 30 I HN 0.435 nan 8.210 nan 0.000 0.461 31 E N 3.961 124.188 120.200 0.047 0.000 2.234 31 E HA 0.439 4.789 4.350 -0.000 0.000 0.266 31 E C -1.419 175.204 176.600 0.038 0.000 0.877 31 E CA -0.910 55.523 56.400 0.055 0.000 0.758 31 E CB 2.388 32.119 29.700 0.052 0.000 1.170 31 E HN 0.604 nan 8.360 nan 0.000 0.415 32 V N 4.834 124.776 119.914 0.047 0.000 2.493 32 V HA -0.032 4.088 4.120 -0.000 0.000 0.292 32 V C 0.880 177.006 176.094 0.053 0.000 1.016 32 V CA 0.644 62.974 62.300 0.050 0.000 1.097 32 V CB 0.683 32.550 31.823 0.074 0.000 0.947 32 V HN 0.843 nan 8.190 nan 0.000 0.479 33 E N 2.227 122.458 120.200 0.051 0.000 2.250 33 E HA 0.084 4.434 4.350 -0.000 0.000 0.192 33 E C 0.184 176.824 176.600 0.067 0.000 0.986 33 E CA 0.345 56.781 56.400 0.060 0.000 0.849 33 E CB 0.424 30.164 29.700 0.066 0.000 0.797 33 E HN 0.760 nan 8.360 nan 0.000 0.482 34 D N -0.641 119.803 120.400 0.074 0.000 2.622 34 D HA 0.179 4.819 4.640 -0.000 0.000 0.255 34 D C -1.973 174.371 176.300 0.074 0.000 1.246 34 D CA -0.519 53.524 54.000 0.071 0.000 0.795 34 D CB 2.105 42.956 40.800 0.084 0.000 1.369 34 D HN -0.201 nan 8.370 nan 0.000 0.425 35 D N 1.639 122.067 120.400 0.048 0.000 2.863 35 D HA 0.259 4.899 4.640 -0.000 0.000 0.245 35 D C 0.083 176.371 176.300 -0.019 0.000 1.211 35 D CA -0.399 53.623 54.000 0.038 0.000 0.888 35 D CB 1.692 42.520 40.800 0.046 0.000 1.483 35 D HN 0.103 nan 8.370 nan 0.000 0.533 36 L N 2.253 123.480 121.223 0.006 0.000 2.592 36 L HA 0.181 4.521 4.340 -0.000 0.000 0.227 36 L C 1.375 178.212 176.870 -0.054 0.000 1.127 36 L CA 0.418 55.250 54.840 -0.013 0.000 0.884 36 L CB -0.407 41.672 42.059 0.033 0.000 1.065 36 L HN 0.372 nan 8.230 nan 0.000 0.457 37 T N -0.949 113.548 114.554 -0.095 0.000 2.816 37 T HA 0.286 4.636 4.350 -0.000 0.000 0.282 37 T C 0.164 174.714 174.700 -0.250 0.000 0.993 37 T CA -0.161 61.867 62.100 -0.121 0.000 0.994 37 T CB 0.683 69.515 68.868 -0.059 0.000 1.025 37 T HN 0.070 nan 8.240 nan 0.000 0.529 38 T N 3.691 118.145 114.554 -0.168 0.000 2.821 38 T HA 0.338 4.688 4.350 -0.000 0.000 0.307 38 T C -1.025 173.632 174.700 -0.072 0.000 1.034 38 T CA -0.274 61.732 62.100 -0.157 0.000 0.953 38 T CB -0.212 68.618 68.868 -0.062 0.000 0.968 38 T HN 0.453 nan 8.240 nan 0.000 0.462 39 Y N 2.231 122.516 120.300 -0.026 0.000 2.852 39 Y HA 0.269 4.819 4.550 -0.000 0.000 0.343 39 Y C 1.670 177.555 175.900 -0.026 0.000 1.280 39 Y CA 1.102 59.183 58.100 -0.031 0.000 1.604 39 Y CB -0.527 37.900 38.460 -0.055 0.000 1.216 39 Y HN 1.007 nan 8.280 nan 0.000 0.541 40 G N 2.278 111.151 108.800 0.122 0.000 2.238 40 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 40 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 40 G C 0.693 175.605 174.900 0.020 0.000 0.996 40 G CA -0.052 45.081 45.100 0.056 0.000 0.632 40 G HN 0.475 nan 8.290 nan 0.000 0.503 41 E N 1.159 121.364 120.200 0.009 0.000 2.496 41 E HA 0.257 4.607 4.350 -0.000 0.000 0.200 41 E C 0.333 176.928 176.600 -0.007 0.000 1.016 41 E CA 0.020 56.424 56.400 0.007 0.000 0.962 41 E CB 0.449 30.155 29.700 0.010 0.000 1.071 41 E HN 0.689 nan 8.360 nan 0.000 0.457 42 E N 0.559 120.722 120.200 -0.062 0.000 2.398 42 E HA 0.101 4.451 4.350 -0.000 0.000 0.263 42 E C 0.166 176.799 176.600 0.055 0.000 1.046 42 E CA -0.215 56.152 56.400 -0.054 0.000 0.908 42 E CB 0.973 30.499 29.700 -0.292 0.000 0.963 42 E HN -0.076 nan 8.360 nan 0.000 0.431 43 V N -0.403 119.569 119.914 0.098 0.000 2.439 43 V HA 0.554 4.674 4.120 -0.000 0.000 0.282 43 V C -0.155 176.044 176.094 0.176 0.000 1.039 43 V CA -0.656 61.719 62.300 0.125 0.000 0.913 43 V CB 1.153 33.040 31.823 0.106 0.000 0.983 43 V HN 0.488 nan 8.190 nan 0.000 0.460 44 K N 3.606 124.112 120.400 0.176 0.000 2.468 44 K HA 0.554 4.874 4.320 -0.000 0.000 0.252 44 K C -1.793 174.906 176.600 0.166 0.000 0.932 44 K CA -0.655 55.736 56.287 0.175 0.000 0.794 44 K CB 2.614 35.208 32.500 0.157 0.000 1.241 44 K HN 0.742 nan 8.250 nan 0.000 0.428 45 F N 1.601 121.573 119.950 0.036 0.000 2.404 45 F HA 0.674 5.201 4.527 -0.000 0.000 0.339 45 F C 0.300 176.105 175.800 0.008 0.000 1.105 45 F CA 0.507 58.519 58.000 0.020 0.000 1.087 45 F CB 1.444 40.454 39.000 0.016 0.000 1.143 45 F HN 0.667 nan 8.300 nan 0.000 0.491 46 G N 2.654 110.829 108.800 -1.042 0.000 2.369 46 G HA2 0.351 4.311 3.960 -0.000 0.000 0.293 46 G HA3 0.351 4.311 3.960 -0.000 0.000 0.293 46 G C -0.829 173.776 174.900 -0.492 0.000 1.301 46 G CA -0.504 44.150 45.100 -0.743 0.000 0.913 46 G HN 1.004 nan 8.290 nan 0.000 0.540 47 G N -0.728 107.889 108.800 -0.306 0.000 2.335 47 G HA2 0.556 4.516 3.960 -0.000 0.000 0.268 47 G HA3 0.556 4.516 3.960 -0.000 0.000 0.268 47 G C 1.400 176.218 174.900 -0.138 0.000 1.228 47 G CA 1.733 46.719 45.100 -0.191 0.000 0.968 47 G HN 2.435 nan 8.290 nan 0.000 0.459 48 G N 1.781 110.512 108.800 -0.114 0.000 2.159 48 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.256 48 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.256 48 G C 0.831 175.695 174.900 -0.061 0.000 0.977 48 G CA 0.711 45.769 45.100 -0.070 0.000 0.652 48 G HN 0.724 nan 8.290 nan 0.000 0.531 49 K N -0.435 119.909 120.400 -0.093 0.000 2.731 49 K HA 0.570 4.890 4.320 -0.000 0.000 0.284 49 K C 1.896 178.490 176.600 -0.009 0.000 1.027 49 K CA 0.124 56.379 56.287 -0.052 0.000 1.040 49 K CB -0.187 32.262 32.500 -0.085 0.000 1.334 49 K HN 0.090 nan 8.250 nan 0.000 0.498 50 V N 0.635 120.571 119.914 0.036 0.000 2.446 50 V HA -0.046 4.074 4.120 -0.000 0.000 0.244 50 V C 1.459 177.595 176.094 0.069 0.000 1.039 50 V CA 0.992 63.327 62.300 0.059 0.000 1.045 50 V CB -0.314 31.560 31.823 0.085 0.000 0.681 50 V HN 0.448 nan 8.190 nan 0.000 0.459 51 I N 2.469 123.104 120.570 0.108 0.000 2.532 51 I HA 0.141 4.311 4.170 -0.000 0.000 0.302 51 I C 0.333 176.532 176.117 0.137 0.000 1.176 51 I CA 0.674 62.065 61.300 0.152 0.000 1.975 51 I CB -0.808 37.349 38.000 0.261 0.000 1.536 51 I HN 0.224 nan 8.210 nan 0.000 0.919 52 R N 2.163 122.709 120.500 0.076 0.000 2.725 52 R HA 0.258 4.598 4.340 -0.000 0.000 0.277 52 R C -0.774 175.551 176.300 0.042 0.000 0.987 52 R CA -1.173 54.959 56.100 0.054 0.000 0.901 52 R CB 1.908 32.219 30.300 0.019 0.000 1.207 52 R HN 0.217 nan 8.270 nan 0.000 0.463 53 D N 0.624 121.046 120.400 0.037 0.000 2.752 53 D HA -0.017 4.623 4.640 -0.000 0.000 0.225 53 D C 1.222 177.535 176.300 0.021 0.000 1.104 53 D CA 2.604 56.620 54.000 0.027 0.000 0.832 53 D CB 0.364 41.177 40.800 0.021 0.000 1.161 53 D HN 0.708 nan 8.370 nan 0.000 0.505 54 G N 2.594 111.406 108.800 0.020 0.000 2.234 54 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 54 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 54 G C 0.757 175.669 174.900 0.020 0.000 0.987 54 G CA 0.900 46.011 45.100 0.018 0.000 0.625 54 G HN 0.526 nan 8.290 nan 0.000 0.532 55 M N -0.808 118.807 119.600 0.025 0.000 2.276 55 M HA 0.491 4.971 4.480 -0.000 0.000 0.202 55 M C 2.403 178.724 176.300 0.035 0.000 1.530 55 M CA 0.848 56.165 55.300 0.028 0.000 1.810 55 M CB -0.315 32.302 32.600 0.028 0.000 1.057 55 M HN 0.125 nan 8.290 nan 0.000 0.864 56 G N 0.111 108.937 108.800 0.044 0.000 2.776 56 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.209 56 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.209 56 G C 0.313 175.243 174.900 0.051 0.000 1.145 56 G CA 0.145 45.276 45.100 0.052 0.000 0.791 56 G HN 0.459 nan 8.290 nan 0.000 0.530 57 Q N 0.001 119.828 119.800 0.045 0.000 2.333 57 Q HA 0.562 4.902 4.340 -0.000 0.000 0.267 57 Q C 0.239 176.254 176.000 0.025 0.000 1.012 57 Q CA -0.690 55.136 55.803 0.038 0.000 0.824 57 Q CB 1.671 30.438 28.738 0.047 0.000 1.290 57 Q HN 0.136 nan 8.270 nan 0.000 0.449 58 G N 1.236 110.046 108.800 0.017 0.000 2.532 58 G HA2 0.134 4.094 3.960 -0.000 0.000 0.291 58 G HA3 0.134 4.094 3.960 -0.000 0.000 0.291 58 G C 0.060 174.964 174.900 0.007 0.000 1.349 58 G CA -0.187 44.920 45.100 0.012 0.000 1.038 58 G HN 0.673 nan 8.290 nan 0.000 0.518 59 Q N -0.317 119.486 119.800 0.005 0.000 2.247 59 Q HA 0.097 4.437 4.340 -0.000 0.000 0.211 59 Q C 1.154 177.153 176.000 -0.003 0.000 0.861 59 Q CA -0.333 55.471 55.803 0.002 0.000 0.949 59 Q CB 0.257 28.997 28.738 0.004 0.000 1.115 59 Q HN 0.668 nan 8.270 nan 0.000 0.507 60 M N -0.246 119.351 119.600 -0.005 0.000 2.250 60 M HA 0.199 4.679 4.480 -0.000 0.000 0.325 60 M C -0.005 176.285 176.300 -0.017 0.000 1.084 60 M CA 0.180 55.474 55.300 -0.010 0.000 1.161 60 M CB 0.184 32.777 32.600 -0.011 0.000 1.481 60 M HN -0.079 nan 8.290 nan 0.000 0.449 61 L N 2.218 123.431 121.223 -0.017 0.000 2.479 61 L HA 0.268 4.608 4.340 -0.000 0.000 0.248 61 L C 1.964 178.814 176.870 -0.033 0.000 1.205 61 L CA -0.090 54.737 54.840 -0.021 0.000 0.817 61 L CB 0.166 42.215 42.059 -0.016 0.000 1.162 61 L HN 1.016 nan 8.230 nan 0.000 0.486 62 A N 1.077 123.875 122.820 -0.036 0.000 1.892 62 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 62 A C 2.282 179.830 177.584 -0.060 0.000 1.188 62 A CA 2.120 54.127 52.037 -0.050 0.000 0.631 62 A CB -1.026 17.948 19.000 -0.043 0.000 0.822 62 A HN 0.901 nan 8.150 nan 0.000 0.447 63 A N -0.655 122.140 122.820 -0.042 0.000 2.076 63 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 63 A C 1.387 178.942 177.584 -0.048 0.000 1.160 63 A CA 1.771 53.786 52.037 -0.036 0.000 0.653 63 A CB -0.377 18.615 19.000 -0.014 0.000 0.801 63 A HN 0.514 nan 8.150 nan 0.000 0.455 64 D N -1.178 119.192 120.400 -0.050 0.000 2.368 64 D HA 0.192 4.832 4.640 -0.000 0.000 0.218 64 D C 0.269 176.516 176.300 -0.088 0.000 1.112 64 D CA 0.679 54.650 54.000 -0.047 0.000 0.834 64 D CB -0.101 40.688 40.800 -0.018 0.000 0.953 64 D HN 0.618 nan 8.370 nan 0.000 0.505 65 C N -1.110 118.107 119.300 -0.138 0.000 3.173 65 C HA 0.723 5.183 4.460 -0.000 0.000 0.310 65 C C 0.327 175.160 174.990 -0.261 0.000 1.306 65 C CA -1.281 57.632 59.018 -0.175 0.000 1.426 65 C CB 1.023 28.704 27.740 -0.099 0.000 1.800 65 C HN 0.014 nan 8.230 nan 0.000 0.470 66 V N 0.161 119.892 119.914 -0.306 0.000 3.051 66 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 66 V C 0.627 176.625 176.094 -0.160 0.000 1.083 66 V CA 0.582 62.698 62.300 -0.307 0.000 1.104 66 V CB 0.532 32.202 31.823 -0.254 0.000 1.027 66 V HN 0.914 nan 8.190 nan 0.000 0.483 67 D N 0.745 121.071 120.400 -0.123 0.000 2.213 67 D HA 0.164 4.803 4.640 -0.000 0.000 0.205 67 D C 0.225 176.487 176.300 -0.064 0.000 0.961 67 D CA 1.207 55.159 54.000 -0.080 0.000 0.853 67 D CB 0.495 41.261 40.800 -0.057 0.000 0.967 67 D HN 0.504 nan 8.370 nan 0.000 0.496 68 L N 0.111 121.305 121.223 -0.048 0.000 2.445 68 L HA 0.493 4.833 4.340 -0.000 0.000 0.262 68 L C -1.637 175.227 176.870 -0.010 0.000 0.974 68 L CA -0.855 53.966 54.840 -0.032 0.000 0.822 68 L CB 2.611 44.662 42.059 -0.013 0.000 1.339 68 L HN -0.279 nan 8.230 nan 0.000 0.409 69 V N 5.654 125.561 119.914 -0.011 0.000 2.577 69 V HA 0.594 4.714 4.120 -0.000 0.000 0.303 69 V C -1.354 174.756 176.094 0.027 0.000 1.042 69 V CA -0.449 61.863 62.300 0.020 0.000 0.872 69 V CB 1.959 33.795 31.823 0.022 0.000 0.998 69 V HN 0.705 nan 8.190 nan 0.000 0.423 70 L N 6.756 128.012 121.223 0.055 0.000 2.264 70 L HA 0.496 4.836 4.340 -0.000 0.000 0.287 70 L C 0.753 177.671 176.870 0.081 0.000 1.039 70 L CA 0.134 55.011 54.840 0.062 0.000 0.829 70 L CB 1.591 43.695 42.059 0.075 0.000 1.211 70 L HN 0.858 nan 8.230 nan 0.000 0.427 71 T N -0.269 114.334 114.554 0.081 0.000 2.907 71 T HA 0.202 4.552 4.350 -0.000 0.000 0.298 71 T C 0.626 175.397 174.700 0.118 0.000 1.017 71 T CA -0.702 61.459 62.100 0.103 0.000 1.118 71 T CB 0.394 69.331 68.868 0.115 0.000 0.948 71 T HN 0.599 nan 8.240 nan 0.000 0.531 72 N N 0.439 119.218 118.700 0.131 0.000 2.689 72 N HA -0.165 4.574 4.740 -0.000 0.000 0.263 72 N C -0.050 175.541 175.510 0.136 0.000 0.987 72 N CA 0.863 54.001 53.050 0.148 0.000 0.782 72 N CB -1.495 37.104 38.487 0.187 0.000 0.903 72 N HN 1.089 nan 8.380 nan 0.000 0.547 73 A N 0.211 123.107 122.820 0.126 0.000 2.304 73 A HA 0.633 4.953 4.320 -0.000 0.000 0.301 73 A C 0.297 177.952 177.584 0.119 0.000 1.132 73 A CA -0.654 51.457 52.037 0.123 0.000 0.819 73 A CB 1.022 20.096 19.000 0.123 0.000 1.094 73 A HN 0.334 nan 8.150 nan 0.000 0.492 74 L N 3.447 124.735 121.223 0.109 0.000 2.283 74 L HA 0.500 4.840 4.340 -0.000 0.000 0.281 74 L C -0.666 176.240 176.870 0.060 0.000 1.033 74 L CA -0.120 54.767 54.840 0.079 0.000 0.848 74 L CB -0.033 42.063 42.059 0.063 0.000 1.226 74 L HN 0.559 nan 8.230 nan 0.000 0.429 75 I N 5.088 125.679 120.570 0.034 0.000 2.474 75 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 75 I C -0.409 175.624 176.117 -0.140 0.000 1.048 75 I CA -0.508 60.779 61.300 -0.022 0.000 1.383 75 I CB 1.306 39.289 38.000 -0.029 0.000 1.412 75 I HN 0.245 nan 8.210 nan 0.000 0.531 76 V N 5.404 125.243 119.914 -0.126 0.000 2.409 76 V HA 0.427 4.547 4.120 -0.000 0.000 0.290 76 V C -0.694 175.275 176.094 -0.208 0.000 1.017 76 V CA -0.339 61.859 62.300 -0.169 0.000 0.841 76 V CB 1.503 33.269 31.823 -0.094 0.000 1.003 76 V HN 0.695 nan 8.190 nan 0.000 0.426 77 D N 0.743 120.874 120.400 -0.449 0.000 2.596 77 D HA 0.325 4.965 4.640 -0.000 0.000 0.262 77 D C 0.833 176.868 176.300 -0.441 0.000 1.210 77 D CA -0.437 53.255 54.000 -0.514 0.000 0.873 77 D CB 1.495 41.711 40.800 -0.974 0.000 1.408 77 D HN 0.696 nan 8.370 nan 0.000 0.441 78 H N 0.006 119.005 119.070 -0.118 0.000 2.489 78 H HA -0.072 4.484 4.556 -0.000 0.000 0.295 78 H C 1.339 176.802 175.328 0.225 0.000 1.082 78 H CA 1.792 57.902 56.048 0.104 0.000 1.295 78 H CB -0.317 29.542 29.762 0.162 0.000 1.380 78 H HN 0.517 nan 8.280 nan 0.000 0.548 79 W N 0.144 121.330 121.300 -0.190 0.000 3.211 79 W HA 0.605 5.265 4.660 -0.000 0.000 0.292 79 W C -0.160 176.387 176.519 0.047 0.000 1.268 79 W CA 0.084 57.421 57.345 -0.012 0.000 1.702 79 W CB 0.263 29.629 29.460 -0.158 0.000 1.092 79 W HN 0.389 nan 8.180 nan 0.000 0.643 80 G N 1.060 109.689 108.800 -0.284 0.000 2.325 80 G HA2 0.392 4.352 3.960 -0.000 0.000 0.297 80 G HA3 0.392 4.352 3.960 -0.000 0.000 0.297 80 G C -2.039 172.632 174.900 -0.382 0.000 1.448 80 G CA -1.060 43.941 45.100 -0.165 0.000 0.838 80 G HN 0.061 nan 8.290 nan 0.000 0.579 81 I N 1.483 121.955 120.570 -0.163 0.000 2.595 81 I HA 0.435 4.605 4.170 -0.000 0.000 0.275 81 I C 0.124 176.211 176.117 -0.049 0.000 1.092 81 I CA -0.892 60.324 61.300 -0.140 0.000 1.145 81 I CB 1.372 39.318 38.000 -0.091 0.000 1.276 81 I HN 0.554 nan 8.210 nan 0.000 0.497 82 V N 1.790 121.679 119.914 -0.040 0.000 3.001 82 V HA 0.661 4.781 4.120 -0.000 0.000 0.314 82 V C -0.565 175.576 176.094 0.078 0.000 1.099 82 V CA -1.070 61.266 62.300 0.061 0.000 0.989 82 V CB 2.192 34.111 31.823 0.160 0.000 1.040 82 V HN 0.497 nan 8.190 nan 0.000 0.434 83 K N 1.792 122.252 120.400 0.100 0.000 2.213 83 K HA 0.888 5.208 4.320 -0.000 0.000 0.270 83 K C -0.442 176.228 176.600 0.118 0.000 1.002 83 K CA 0.651 57.007 56.287 0.115 0.000 0.868 83 K CB 0.977 33.557 32.500 0.133 0.000 1.093 83 K HN 1.546 nan 8.250 nan 0.000 0.454 84 A N 3.198 126.093 122.820 0.125 0.000 2.540 84 A HA 0.430 4.750 4.320 -0.000 0.000 0.291 84 A C -1.753 175.903 177.584 0.121 0.000 1.083 84 A CA -0.956 51.152 52.037 0.119 0.000 0.650 84 A CB 0.828 19.910 19.000 0.136 0.000 1.292 84 A HN 0.657 nan 8.150 nan 0.000 0.435 85 D N 0.447 120.913 120.400 0.110 0.000 2.193 85 D HA 0.605 5.245 4.640 -0.000 0.000 0.249 85 D C -0.605 175.767 176.300 0.120 0.000 1.034 85 D CA 0.273 54.338 54.000 0.109 0.000 0.902 85 D CB 1.479 42.337 40.800 0.097 0.000 1.182 85 D HN 0.434 nan 8.370 nan 0.000 0.436 86 I N 0.795 121.438 120.570 0.120 0.000 2.378 86 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 86 I C 0.762 176.957 176.117 0.131 0.000 0.992 86 I CA -0.762 60.618 61.300 0.133 0.000 1.154 86 I CB 2.014 40.096 38.000 0.136 0.000 1.315 86 I HN 0.191 nan 8.210 nan 0.000 0.448 87 G N 5.324 114.227 108.800 0.172 0.000 2.356 87 G HA2 0.618 4.578 3.960 -0.000 0.000 0.322 87 G HA3 0.618 4.578 3.960 -0.000 0.000 0.322 87 G C -0.973 174.050 174.900 0.206 0.000 1.125 87 G CA -0.348 44.867 45.100 0.192 0.000 0.885 87 G HN 0.346 nan 8.290 nan 0.000 0.467 88 V N 1.898 121.882 119.914 0.117 0.000 2.531 88 V HA 0.621 4.741 4.120 -0.000 0.000 0.301 88 V C -0.162 175.958 176.094 0.043 0.000 1.034 88 V CA -0.814 61.551 62.300 0.109 0.000 0.865 88 V CB 1.796 33.664 31.823 0.075 0.000 0.995 88 V HN 0.826 nan 8.190 nan 0.000 0.424 89 K N 2.911 123.360 120.400 0.081 0.000 2.513 89 K HA 0.441 4.761 4.320 -0.000 0.000 0.251 89 K C -0.711 175.932 176.600 0.072 0.000 0.939 89 K CA -0.491 55.804 56.287 0.015 0.000 0.793 89 K CB 1.443 33.892 32.500 -0.086 0.000 1.241 89 K HN 0.654 nan 8.250 nan 0.000 0.431 90 D N 3.039 123.469 120.400 0.049 0.000 2.837 90 D HA -0.191 4.449 4.640 -0.000 0.000 0.230 90 D C 0.615 176.973 176.300 0.096 0.000 1.152 90 D CA 1.886 55.932 54.000 0.078 0.000 0.736 90 D CB -1.201 39.647 40.800 0.081 0.000 1.084 90 D HN 1.094 nan 8.370 nan 0.000 0.429 91 G N -0.617 108.236 108.800 0.089 0.000 2.184 91 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.264 91 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.264 91 G C 0.355 175.308 174.900 0.088 0.000 0.975 91 G CA 0.719 45.874 45.100 0.092 0.000 0.642 91 G HN 0.547 nan 8.290 nan 0.000 0.536 92 R N -0.829 119.730 120.500 0.099 0.000 2.854 92 R HA 0.647 4.987 4.340 -0.000 0.000 0.271 92 R C 0.084 176.465 176.300 0.135 0.000 0.996 92 R CA -1.180 54.984 56.100 0.107 0.000 0.961 92 R CB 1.390 31.750 30.300 0.100 0.000 1.182 92 R HN 0.162 nan 8.270 nan 0.000 0.479 93 I N 2.434 123.079 120.570 0.125 0.000 2.581 93 I HA -0.084 4.086 4.170 -0.000 0.000 0.285 93 I C 0.967 177.176 176.117 0.153 0.000 1.129 93 I CA 0.359 61.742 61.300 0.138 0.000 1.397 93 I CB 0.241 38.309 38.000 0.113 0.000 1.399 93 I HN 0.612 nan 8.210 nan 0.000 0.537 94 F N 6.999 126.973 119.950 0.040 0.000 2.262 94 F HA 0.429 4.956 4.527 -0.000 0.000 0.292 94 F C 0.995 176.809 175.800 0.023 0.000 1.081 94 F CA 0.703 58.720 58.000 0.029 0.000 1.355 94 F CB 0.321 39.337 39.000 0.027 0.000 1.069 94 F HN 0.469 nan 8.300 nan 0.000 0.506 95 A N -0.235 122.627 122.820 0.070 0.000 2.586 95 A HA 0.595 4.915 4.320 -0.000 0.000 0.291 95 A C -1.647 175.978 177.584 0.067 0.000 1.062 95 A CA -0.601 51.408 52.037 -0.047 0.000 0.666 95 A CB 0.440 19.395 19.000 -0.074 0.000 1.281 95 A HN 0.083 nan 8.150 nan 0.000 0.421 96 I N 1.381 121.967 120.570 0.026 0.000 2.466 96 I HA 0.606 4.776 4.170 -0.000 0.000 0.279 96 I C 0.604 176.754 176.117 0.054 0.000 1.033 96 I CA 0.145 61.489 61.300 0.073 0.000 1.123 96 I CB 1.435 39.480 38.000 0.076 0.000 1.237 96 I HN 1.054 nan 8.210 nan 0.000 0.460 97 G N 5.219 114.064 108.800 0.076 0.000 2.929 97 G HA2 0.253 4.213 3.960 -0.000 0.000 0.123 97 G HA3 0.253 4.213 3.960 -0.000 0.000 0.123 97 G C -1.400 173.536 174.900 0.061 0.000 1.212 97 G CA -0.291 44.843 45.100 0.057 0.000 1.238 97 G HN 0.236 nan 8.290 nan 0.000 0.617 98 K N 1.255 121.686 120.400 0.052 0.000 2.425 98 K HA 0.699 5.019 4.320 -0.000 0.000 0.259 98 K C -0.274 176.361 176.600 0.058 0.000 0.978 98 K CA -0.349 55.965 56.287 0.045 0.000 0.883 98 K CB 0.967 33.480 32.500 0.021 0.000 1.110 98 K HN 0.712 nan 8.250 nan 0.000 0.436 99 A N 2.458 125.318 122.820 0.065 0.000 2.322 99 A HA 0.802 5.122 4.320 -0.000 0.000 0.269 99 A C 0.427 178.045 177.584 0.056 0.000 1.094 99 A CA 0.511 52.588 52.037 0.067 0.000 0.807 99 A CB 0.671 19.714 19.000 0.071 0.000 1.047 99 A HN 0.896 nan 8.150 nan 0.000 0.487 100 G N 0.307 109.137 108.800 0.050 0.000 2.356 100 G HA2 0.289 4.249 3.960 -0.000 0.000 0.266 100 G HA3 0.289 4.249 3.960 -0.000 0.000 0.266 100 G C -1.529 173.393 174.900 0.037 0.000 1.312 100 G CA -0.311 44.816 45.100 0.045 0.000 0.922 100 G HN 1.028 nan 8.290 nan 0.000 0.480 101 N N 0.761 119.482 118.700 0.034 0.000 2.443 101 N HA 0.616 5.356 4.740 -0.000 0.000 0.269 101 N C -1.747 173.779 175.510 0.026 0.000 0.985 101 N CA -2.303 50.764 53.050 0.027 0.000 0.921 101 N CB 2.554 41.057 38.487 0.027 0.000 1.195 101 N HN 0.016 nan 8.380 nan 0.000 0.492 102 P HA -0.006 nan 4.420 nan 0.000 0.225 102 P C 0.223 177.535 177.300 0.019 0.000 1.148 102 P CA 0.772 63.886 63.100 0.023 0.000 0.779 102 P CB 0.473 32.187 31.700 0.024 0.000 0.780 103 D N -0.617 119.793 120.400 0.018 0.000 2.144 103 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 103 D C 1.716 178.026 176.300 0.016 0.000 0.978 103 D CA 1.226 55.236 54.000 0.016 0.000 0.833 103 D CB -0.143 40.666 40.800 0.015 0.000 0.961 103 D HN 0.349 nan 8.370 nan 0.000 0.470 104 I N -3.529 117.053 120.570 0.019 0.000 4.526 104 I HA 0.232 4.402 4.170 -0.000 0.000 0.330 104 I C 0.050 176.179 176.117 0.020 0.000 1.323 104 I CA -0.386 60.925 61.300 0.019 0.000 1.218 104 I CB 0.389 38.401 38.000 0.020 0.000 1.233 104 I HN -0.311 nan 8.210 nan 0.000 0.430 105 Q N 3.391 123.204 119.800 0.022 0.000 2.301 105 Q HA 0.560 4.900 4.340 -0.000 0.000 0.267 105 Q C -2.548 173.462 176.000 0.018 0.000 1.035 105 Q CA -2.041 53.775 55.803 0.021 0.000 0.856 105 Q CB 1.931 30.684 28.738 0.025 0.000 1.337 105 Q HN 0.107 nan 8.270 nan 0.000 0.450 106 P HA 0.172 nan 4.420 nan 0.000 0.284 106 P C -1.032 176.272 177.300 0.008 0.000 1.258 106 P CA -0.294 62.812 63.100 0.010 0.000 0.824 106 P CB 0.694 32.397 31.700 0.006 0.000 1.038 107 N N -1.800 116.904 118.700 0.007 0.000 2.693 107 N HA -0.141 4.599 4.740 -0.000 0.000 0.249 107 N C -0.305 175.215 175.510 0.015 0.000 1.119 107 N CA 0.345 53.398 53.050 0.006 0.000 0.717 107 N CB -1.884 36.599 38.487 -0.007 0.000 1.071 107 N HN 0.159 nan 8.380 nan 0.000 0.555 108 V N 1.066 120.995 119.914 0.024 0.000 2.446 108 V HA 0.079 4.199 4.120 -0.000 0.000 0.276 108 V C 1.742 177.865 176.094 0.049 0.000 1.030 108 V CA 1.167 63.488 62.300 0.037 0.000 1.033 108 V CB 0.952 32.797 31.823 0.037 0.000 0.993 108 V HN 0.523 nan 8.190 nan 0.000 0.477 109 T N 1.995 116.586 114.554 0.061 0.000 3.001 109 T HA 0.375 4.725 4.350 -0.000 0.000 0.251 109 T C 0.319 175.110 174.700 0.152 0.000 1.040 109 T CA 0.177 62.325 62.100 0.081 0.000 0.985 109 T CB 0.102 69.000 68.868 0.050 0.000 1.011 109 T HN 0.358 nan 8.240 nan 0.000 0.509 110 I N 3.753 124.406 120.570 0.138 0.000 2.495 110 I HA 0.368 4.538 4.170 -0.000 0.000 0.277 110 I C -2.706 173.461 176.117 0.084 0.000 1.045 110 I CA -2.734 58.669 61.300 0.172 0.000 1.135 110 I CB 2.128 40.228 38.000 0.167 0.000 1.241 110 I HN -0.061 nan 8.210 nan 0.000 0.469 111 P HA 0.230 nan 4.420 nan 0.000 0.271 111 P C -0.574 176.713 177.300 -0.022 0.000 1.220 111 P CA 0.164 63.269 63.100 0.008 0.000 0.768 111 P CB 1.326 33.023 31.700 -0.005 0.000 0.848 112 I N 2.474 123.042 120.570 -0.004 0.000 2.354 112 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 112 I C 1.011 177.122 176.117 -0.010 0.000 0.989 112 I CA -0.194 61.102 61.300 -0.008 0.000 1.188 112 I CB 1.903 39.913 38.000 0.017 0.000 1.342 112 I HN 0.431 nan 8.210 nan 0.000 0.457 113 G N 2.901 111.687 108.800 -0.024 0.000 3.176 113 G HA2 0.552 4.512 3.960 -0.000 0.000 0.272 113 G HA3 0.552 4.512 3.960 -0.000 0.000 0.272 113 G C 0.548 175.437 174.900 -0.018 0.000 1.349 113 G CA 0.038 45.126 45.100 -0.020 0.000 0.953 113 G HN 0.603 nan 8.290 nan 0.000 0.559 114 A N -0.813 121.997 122.820 -0.017 0.000 2.019 114 A HA 0.264 4.584 4.320 -0.000 0.000 0.219 114 A C 2.364 179.930 177.584 -0.031 0.000 1.164 114 A CA 2.481 54.509 52.037 -0.016 0.000 0.644 114 A CB -0.601 18.390 19.000 -0.014 0.000 0.805 114 A HN 1.465 nan 8.150 nan 0.000 0.449 115 A N -0.774 122.021 122.820 -0.041 0.000 2.238 115 A HA 0.298 4.617 4.320 -0.000 0.000 0.208 115 A C 0.823 178.369 177.584 -0.064 0.000 1.177 115 A CA 0.688 52.693 52.037 -0.053 0.000 0.804 115 A CB -0.522 18.445 19.000 -0.056 0.000 0.823 115 A HN 0.286 nan 8.150 nan 0.000 0.482 116 T N 1.189 115.706 114.554 -0.061 0.000 2.728 116 T HA 0.397 4.747 4.350 -0.000 0.000 0.296 116 T C -0.169 174.478 174.700 -0.088 0.000 0.940 116 T CA -0.322 61.736 62.100 -0.070 0.000 1.013 116 T CB 1.308 70.142 68.868 -0.057 0.000 0.912 116 T HN 0.465 nan 8.240 nan 0.000 0.484 117 E N 2.647 122.787 120.200 -0.101 0.000 2.349 117 E HA 0.470 4.819 4.350 -0.000 0.000 0.262 117 E C -1.081 175.425 176.600 -0.156 0.000 1.088 117 E CA -0.581 55.734 56.400 -0.141 0.000 0.899 117 E CB 0.775 30.404 29.700 -0.118 0.000 1.044 117 E HN 0.327 nan 8.360 nan 0.000 0.420 118 V N 4.275 124.041 119.914 -0.246 0.000 2.588 118 V HA 0.436 4.556 4.120 -0.000 0.000 0.304 118 V C -0.335 175.650 176.094 -0.181 0.000 1.042 118 V CA -0.658 61.507 62.300 -0.225 0.000 0.877 118 V CB 1.592 33.205 31.823 -0.351 0.000 0.996 118 V HN 0.646 nan 8.190 nan 0.000 0.425 119 I N 3.535 124.058 120.570 -0.077 0.000 2.410 119 I HA 0.578 4.748 4.170 -0.000 0.000 0.286 119 I C 0.401 176.525 176.117 0.011 0.000 1.009 119 I CA -0.665 60.614 61.300 -0.035 0.000 1.111 119 I CB 1.895 39.887 38.000 -0.013 0.000 1.262 119 I HN 0.711 nan 8.210 nan 0.000 0.443 120 A N 5.180 128.019 122.820 0.031 0.000 2.437 120 A HA 0.569 4.889 4.320 -0.000 0.000 0.303 120 A C 0.852 178.474 177.584 0.063 0.000 1.324 120 A CA -0.134 51.944 52.037 0.069 0.000 0.983 120 A CB 0.225 19.280 19.000 0.092 0.000 1.142 120 A HN 0.885 nan 8.150 nan 0.000 0.541 121 A N 2.804 125.669 122.820 0.076 0.000 2.345 121 A HA 0.241 4.561 4.320 -0.000 0.000 0.225 121 A C 0.787 178.427 177.584 0.094 0.000 1.243 121 A CA -0.174 51.913 52.037 0.083 0.000 0.875 121 A CB -0.153 18.902 19.000 0.091 0.000 0.929 121 A HN 0.813 nan 8.150 nan 0.000 0.502 122 E N 0.082 120.337 120.200 0.092 0.000 2.417 122 E HA 0.287 4.637 4.350 -0.000 0.000 0.261 122 E C 0.811 177.455 176.600 0.074 0.000 1.000 122 E CA 0.558 57.014 56.400 0.094 0.000 0.919 122 E CB 0.136 29.887 29.700 0.085 0.000 0.955 122 E HN 0.907 nan 8.360 nan 0.000 0.455 123 G N 2.849 111.701 108.800 0.085 0.000 2.176 123 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.253 123 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.253 123 G C 0.002 174.958 174.900 0.094 0.000 0.979 123 G CA 0.298 45.444 45.100 0.077 0.000 0.641 123 G HN 0.491 nan 8.290 nan 0.000 0.530 124 K N -0.155 120.312 120.400 0.110 0.000 2.238 124 K HA 0.764 5.084 4.320 -0.000 0.000 0.239 124 K C -0.001 176.697 176.600 0.164 0.000 0.987 124 K CA -0.873 55.502 56.287 0.147 0.000 0.857 124 K CB 1.841 34.424 32.500 0.139 0.000 1.154 124 K HN 0.208 nan 8.250 nan 0.000 0.439 125 I N 1.639 122.355 120.570 0.243 0.000 2.378 125 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 125 I C -0.450 175.908 176.117 0.401 0.000 0.992 125 I CA -1.085 60.370 61.300 0.258 0.000 1.154 125 I CB 1.783 39.918 38.000 0.225 0.000 1.315 125 I HN 0.002 nan 8.210 nan 0.000 0.448 126 V N 5.111 125.198 119.914 0.287 0.000 2.435 126 V HA 0.589 4.709 4.120 -0.000 0.000 0.290 126 V C 0.240 176.518 176.094 0.308 0.000 1.030 126 V CA -0.325 62.145 62.300 0.283 0.000 0.881 126 V CB 1.775 33.706 31.823 0.179 0.000 0.983 126 V HN 0.900 nan 8.190 nan 0.000 0.445 127 T N 1.509 116.291 114.554 0.380 0.000 2.865 127 T HA 0.863 5.213 4.350 -0.000 0.000 0.294 127 T C -0.171 174.703 174.700 0.290 0.000 1.119 127 T CA -0.348 61.973 62.100 0.368 0.000 1.007 127 T CB 1.934 71.151 68.868 0.582 0.000 1.225 127 T HN 0.969 nan 8.240 nan 0.000 0.515 128 A N 0.350 123.322 122.820 0.253 0.000 2.296 128 A HA 0.745 5.065 4.320 -0.000 0.000 0.264 128 A C 0.891 178.627 177.584 0.253 0.000 1.097 128 A CA -0.201 51.967 52.037 0.219 0.000 0.811 128 A CB -0.551 18.566 19.000 0.196 0.000 1.072 128 A HN 1.384 nan 8.150 nan 0.000 0.495 129 G N -0.549 108.378 108.800 0.211 0.000 2.415 129 G HA2 0.488 4.448 3.960 -0.000 0.000 0.269 129 G HA3 0.488 4.448 3.960 -0.000 0.000 0.269 129 G C 0.512 175.572 174.900 0.266 0.000 1.209 129 G CA 0.185 45.417 45.100 0.220 0.000 0.835 129 G HN 1.116 nan 8.290 nan 0.000 0.534 130 G N -0.366 108.636 108.800 0.335 0.000 2.664 130 G HA2 0.434 4.394 3.960 -0.000 0.000 0.242 130 G HA3 0.434 4.394 3.960 -0.000 0.000 0.242 130 G C -0.234 174.817 174.900 0.251 0.000 1.225 130 G CA -0.437 44.909 45.100 0.410 0.000 0.849 130 G HN 0.655 nan 8.290 nan 0.000 0.581 131 I N 0.884 121.594 120.570 0.234 0.000 2.497 131 I HA 0.164 4.334 4.170 -0.000 0.000 0.284 131 I C -1.295 174.898 176.117 0.127 0.000 1.060 131 I CA -0.719 60.672 61.300 0.150 0.000 1.071 131 I CB 2.103 40.172 38.000 0.116 0.000 1.216 131 I HN 0.305 nan 8.210 nan 0.000 0.442 132 D N 4.865 125.317 120.400 0.087 0.000 2.373 132 D HA 0.182 4.822 4.640 -0.000 0.000 0.227 132 D C 0.903 177.221 176.300 0.030 0.000 1.091 132 D CA -0.158 53.876 54.000 0.057 0.000 0.840 132 D CB 1.477 42.283 40.800 0.010 0.000 1.060 132 D HN 0.610 nan 8.370 nan 0.000 0.502 133 T N 0.449 115.047 114.554 0.075 0.000 3.244 133 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 133 T C 0.579 175.342 174.700 0.104 0.000 1.024 133 T CA -0.145 61.986 62.100 0.052 0.000 0.920 133 T CB -0.477 68.474 68.868 0.138 0.000 1.042 133 T HN 0.492 nan 8.240 nan 0.000 0.572 134 H N 0.487 119.492 119.070 -0.108 0.000 2.712 134 H HA 0.426 4.982 4.556 -0.000 0.000 0.226 134 H C -0.860 174.298 175.328 -0.285 0.000 1.422 134 H CA -0.889 54.972 56.048 -0.312 0.000 1.270 134 H CB -0.064 29.411 29.762 -0.478 0.000 1.891 134 H HN 0.199 nan 8.280 nan 0.000 0.518 135 I N 2.120 122.583 120.570 -0.179 0.000 2.353 135 I HA 0.135 4.305 4.170 -0.000 0.000 0.293 135 I C 0.275 176.140 176.117 -0.419 0.000 0.992 135 I CA -0.256 60.815 61.300 -0.382 0.000 1.268 135 I CB 1.022 38.525 38.000 -0.829 0.000 1.387 135 I HN 0.545 nan 8.210 nan 0.000 0.478 136 H N 5.586 124.479 119.070 -0.295 0.000 2.597 136 H HA 0.130 4.686 4.556 -0.000 0.000 0.303 136 H C -0.787 174.452 175.328 -0.148 0.000 1.057 136 H CA -0.344 55.622 56.048 -0.137 0.000 1.261 136 H CB 0.629 30.375 29.762 -0.027 0.000 1.397 136 H HN 0.552 nan 8.280 nan 0.000 0.461 137 W N 5.508 126.889 121.300 0.135 0.000 1.828 137 W HA 0.136 4.796 4.660 -0.000 0.000 0.470 137 W C 0.960 177.537 176.519 0.097 0.000 0.786 137 W CA -0.303 57.100 57.345 0.096 0.000 1.816 137 W CB -0.231 29.266 29.460 0.061 0.000 1.798 137 W HN 0.627 nan 8.180 nan 0.000 0.252 138 I N 1.576 122.325 120.570 0.298 0.000 3.030 138 I HA -0.026 4.144 4.170 -0.000 0.000 0.270 138 I C 0.946 177.187 176.117 0.206 0.000 1.211 138 I CA 0.514 61.955 61.300 0.235 0.000 1.479 138 I CB -0.088 38.033 38.000 0.202 0.000 1.105 138 I HN 0.277 nan 8.210 nan 0.000 0.447 139 C N -2.553 116.889 119.300 0.236 0.000 3.302 139 C HA 0.323 4.783 4.460 -0.000 0.000 0.347 139 C C -2.118 173.013 174.990 0.236 0.000 1.218 139 C CA -1.163 57.967 59.018 0.186 0.000 1.234 139 C CB 1.061 28.877 27.740 0.126 0.000 1.551 139 C HN -0.089 nan 8.230 nan 0.000 0.501 140 P HA -0.041 nan 4.420 nan 0.000 0.229 140 P C 1.038 178.426 177.300 0.147 0.000 1.160 140 P CA 1.448 64.628 63.100 0.133 0.000 0.777 140 P CB 0.216 31.942 31.700 0.044 0.000 0.814 141 Q N 0.099 119.971 119.800 0.120 0.000 2.439 141 Q HA -0.115 4.225 4.340 -0.000 0.000 0.211 141 Q C 2.270 178.332 176.000 0.103 0.000 0.978 141 Q CA 1.203 57.061 55.803 0.092 0.000 0.897 141 Q CB -0.732 28.043 28.738 0.062 0.000 0.956 141 Q HN 0.471 nan 8.270 nan 0.000 0.483 142 Q N -0.657 119.234 119.800 0.152 0.000 2.230 142 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 142 Q C 1.996 178.083 176.000 0.144 0.000 0.963 142 Q CA 1.035 56.913 55.803 0.124 0.000 0.866 142 Q CB -0.135 28.669 28.738 0.110 0.000 0.931 142 Q HN 0.456 nan 8.270 nan 0.000 0.452 143 A N 1.529 124.488 122.820 0.230 0.000 1.902 143 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 143 A C 1.950 179.602 177.584 0.113 0.000 1.181 143 A CA 1.664 53.828 52.037 0.212 0.000 0.623 143 A CB -0.440 18.699 19.000 0.232 0.000 0.818 143 A HN 0.442 nan 8.150 nan 0.000 0.443 144 E N -0.474 119.777 120.200 0.085 0.000 2.072 144 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 144 E C 1.942 178.553 176.600 0.019 0.000 0.985 144 E CA 1.376 57.806 56.400 0.049 0.000 0.801 144 E CB -0.150 29.578 29.700 0.047 0.000 0.750 144 E HN 0.550 nan 8.360 nan 0.000 0.452 145 E N 0.419 120.633 120.200 0.022 0.000 2.058 145 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 145 E C 1.799 178.386 176.600 -0.021 0.000 0.997 145 E CA 1.697 58.093 56.400 -0.006 0.000 0.801 145 E CB -0.365 29.336 29.700 0.002 0.000 0.746 145 E HN 0.378 nan 8.360 nan 0.000 0.450 146 A N 0.071 122.895 122.820 0.006 0.000 1.930 146 A HA -0.119 4.200 4.320 -0.000 0.000 0.217 146 A C 2.185 179.772 177.584 0.004 0.000 1.175 146 A CA 1.377 53.417 52.037 0.005 0.000 0.627 146 A CB -0.704 18.312 19.000 0.027 0.000 0.815 146 A HN 0.358 nan 8.150 nan 0.000 0.443 147 L N -0.079 121.152 121.223 0.012 0.000 2.046 147 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 147 L C 2.333 179.165 176.870 -0.064 0.000 1.077 147 L CA 1.767 56.608 54.840 0.003 0.000 0.747 147 L CB -0.396 41.678 42.059 0.025 0.000 0.896 147 L HN 0.147 nan 8.230 nan 0.000 0.432 148 V N -0.330 119.508 119.914 -0.126 0.000 2.594 148 V HA -0.234 3.886 4.120 -0.000 0.000 0.253 148 V C 2.587 178.506 176.094 -0.292 0.000 1.069 148 V CA 1.638 63.741 62.300 -0.328 0.000 1.082 148 V CB -0.932 30.591 31.823 -0.500 0.000 0.680 148 V HN 0.762 nan 8.190 nan 0.000 0.469 149 S N -0.404 115.219 115.700 -0.128 0.000 2.527 149 S HA 0.258 4.728 4.470 -0.000 0.000 0.222 149 S C 1.556 176.193 174.600 0.062 0.000 0.985 149 S CA 0.787 58.974 58.200 -0.021 0.000 0.921 149 S CB 0.632 63.831 63.200 -0.003 0.000 0.772 149 S HN 1.153 nan 8.310 nan 0.000 0.529 150 G N -0.050 108.745 108.800 -0.008 0.000 2.143 150 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.175 150 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.175 150 G C -0.198 174.771 174.900 0.115 0.000 1.004 150 G CA -0.192 44.928 45.100 0.034 0.000 0.671 150 G HN 0.605 nan 8.290 nan 0.000 0.512 151 V N 2.281 122.243 119.914 0.081 0.000 2.333 151 V HA 0.493 4.613 4.120 -0.000 0.000 0.274 151 V C 1.528 177.687 176.094 0.107 0.000 1.028 151 V CA 0.646 63.012 62.300 0.110 0.000 0.851 151 V CB 1.116 32.983 31.823 0.073 0.000 1.000 151 V HN 0.593 nan 8.190 nan 0.000 0.456 152 T N 0.158 114.791 114.554 0.132 0.000 3.081 152 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 152 T C 0.662 175.457 174.700 0.157 0.000 1.100 152 T CA 0.053 62.230 62.100 0.128 0.000 1.038 152 T CB 0.111 69.052 68.868 0.122 0.000 0.962 152 T HN 0.536 nan 8.240 nan 0.000 0.516 153 T N 2.173 116.828 114.554 0.168 0.000 2.886 153 T HA 0.681 5.031 4.350 -0.000 0.000 0.292 153 T C -0.969 173.833 174.700 0.170 0.000 1.012 153 T CA -0.629 61.591 62.100 0.199 0.000 0.982 153 T CB 1.854 70.842 68.868 0.200 0.000 1.018 153 T HN 0.181 nan 8.240 nan 0.000 0.451 154 M N 2.995 122.726 119.600 0.219 0.000 2.204 154 M HA 0.550 5.030 4.480 -0.000 0.000 0.293 154 M C -1.207 175.219 176.300 0.211 0.000 0.994 154 M CA -0.822 54.586 55.300 0.179 0.000 0.925 154 M CB 2.252 34.991 32.600 0.232 0.000 1.577 154 M HN 0.251 nan 8.290 nan 0.000 0.439 155 V N 2.282 122.227 119.914 0.052 0.000 2.555 155 V HA 1.027 5.147 4.120 -0.000 0.000 0.302 155 V C 0.242 176.302 176.094 -0.056 0.000 1.038 155 V CA -0.233 62.078 62.300 0.018 0.000 0.887 155 V CB 1.751 33.465 31.823 -0.181 0.000 0.991 155 V HN 1.068 nan 8.190 nan 0.000 0.434 156 G N 2.579 111.390 108.800 0.019 0.000 2.336 156 G HA2 0.639 4.598 3.960 -0.000 0.000 0.286 156 G HA3 0.639 4.598 3.960 -0.000 0.000 0.286 156 G C -0.669 174.289 174.900 0.095 0.000 1.269 156 G CA 0.123 45.167 45.100 -0.093 0.000 0.873 156 G HN 1.161 nan 8.290 nan 0.000 0.494 157 G N -1.984 106.844 108.800 0.048 0.000 2.704 157 G HA2 1.007 4.967 3.960 -0.000 0.000 0.293 157 G HA3 1.007 4.967 3.960 -0.000 0.000 0.293 157 G C -0.247 174.808 174.900 0.258 0.000 1.421 157 G CA 0.380 45.625 45.100 0.242 0.000 0.870 157 G HN 2.256 nan 8.290 nan 0.000 0.492 158 G N -1.616 107.365 108.800 0.302 0.000 2.336 158 G HA2 0.532 4.492 3.960 -0.000 0.000 0.300 158 G HA3 0.532 4.492 3.960 -0.000 0.000 0.300 158 G C 0.164 175.152 174.900 0.146 0.000 1.375 158 G CA 0.972 46.210 45.100 0.229 0.000 0.885 158 G HN 1.633 nan 8.290 nan 0.000 0.599 159 T N -2.893 111.676 114.554 0.026 0.000 3.016 159 T HA 0.630 4.980 4.350 -0.000 0.000 0.271 159 T C 1.244 175.951 174.700 0.011 0.000 0.968 159 T CA 1.153 63.206 62.100 -0.077 0.000 0.891 159 T CB 0.712 69.275 68.868 -0.509 0.000 1.149 159 T HN 2.652 nan 8.240 nan 0.000 0.524 160 G N 2.291 111.128 108.800 0.061 0.000 2.293 160 G HA2 0.216 4.175 3.960 -0.000 0.000 0.282 160 G HA3 0.216 4.175 3.960 -0.000 0.000 0.282 160 G C -3.060 171.861 174.900 0.034 0.000 1.299 160 G CA -0.544 44.603 45.100 0.078 0.000 1.018 160 G HN 0.049 nan 8.290 nan 0.000 0.478 161 P HA 0.488 nan 4.420 nan 0.000 0.249 161 P C -0.189 176.938 177.300 -0.288 0.000 1.737 161 P CA 0.926 64.021 63.100 -0.008 0.000 1.128 161 P CB 0.270 32.070 31.700 0.167 0.000 1.942 162 A N 1.996 124.530 122.820 -0.477 0.000 2.401 162 A HA 0.645 4.965 4.320 -0.000 0.000 0.310 162 A C 1.448 178.745 177.584 -0.479 0.000 1.075 162 A CA -0.230 51.586 52.037 -0.368 0.000 0.746 162 A CB 1.379 20.279 19.000 -0.167 0.000 1.277 162 A HN 0.243 nan 8.150 nan 0.000 0.425 163 A N 1.488 124.155 122.820 -0.256 0.000 1.915 163 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 163 A C 2.187 179.800 177.584 0.049 0.000 1.198 163 A CA 3.003 54.983 52.037 -0.095 0.000 0.647 163 A CB -1.325 17.456 19.000 -0.365 0.000 0.825 163 A HN 1.740 nan 8.150 nan 0.000 0.456 164 G N -1.654 107.140 108.800 -0.011 0.000 2.446 164 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 164 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 164 G C 1.594 176.570 174.900 0.126 0.000 1.168 164 G CA 1.700 46.850 45.100 0.083 0.000 0.771 164 G HN 0.457 nan 8.290 nan 0.000 0.551 165 T N 0.146 114.755 114.554 0.091 0.000 2.777 165 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 165 T C 2.150 177.004 174.700 0.257 0.000 1.040 165 T CA 1.256 63.449 62.100 0.154 0.000 1.141 165 T CB -0.332 68.589 68.868 0.090 0.000 0.868 165 T HN 0.286 nan 8.240 nan 0.000 0.444 166 H N 1.312 120.442 119.070 0.099 0.000 2.353 166 H HA 0.018 4.574 4.556 -0.000 0.000 0.298 166 H C 2.409 177.632 175.328 -0.175 0.000 1.103 166 H CA 1.437 57.461 56.048 -0.041 0.000 1.293 166 H CB -0.647 29.104 29.762 -0.019 0.000 1.372 166 H HN 0.430 nan 8.280 nan 0.000 0.501 167 A N -0.048 122.805 122.820 0.055 0.000 1.943 167 A HA 0.087 4.407 4.320 -0.000 0.000 0.213 167 A C 1.326 178.944 177.584 0.057 0.000 1.181 167 A CA 1.132 53.138 52.037 -0.052 0.000 0.653 167 A CB -0.023 18.963 19.000 -0.023 0.000 0.833 167 A HN 0.484 nan 8.150 nan 0.000 0.451 168 T N -3.163 111.407 114.554 0.028 0.000 2.906 168 T HA 0.458 4.808 4.350 -0.000 0.000 0.295 168 T C -0.166 174.525 174.700 -0.015 0.000 1.075 168 T CA 0.202 62.231 62.100 -0.118 0.000 1.005 168 T CB 1.361 70.036 68.868 -0.321 0.000 1.136 168 T HN 0.263 nan 8.240 nan 0.000 0.498 169 T N 0.027 114.488 114.554 -0.154 0.000 3.591 169 T HA 0.461 4.811 4.350 -0.000 0.000 0.232 169 T C 0.031 174.750 174.700 0.031 0.000 1.116 169 T CA -0.678 61.289 62.100 -0.221 0.000 1.063 169 T CB -1.858 66.845 68.868 -0.276 0.000 1.227 169 T HN 0.703 nan 8.240 nan 0.000 0.685 170 C N 1.670 121.034 119.300 0.107 0.000 2.441 170 C HA 0.605 5.065 4.460 -0.000 0.000 0.318 170 C C 0.540 175.587 174.990 0.095 0.000 1.222 170 C CA -0.868 58.218 59.018 0.113 0.000 1.474 170 C CB 1.228 29.046 27.740 0.129 0.000 2.125 170 C HN 0.632 nan 8.230 nan 0.000 0.479 171 T N 4.559 119.162 114.554 0.081 0.000 2.929 171 T HA 0.299 4.649 4.350 -0.000 0.000 0.331 171 T C -2.664 172.070 174.700 0.057 0.000 1.120 171 T CA -0.796 61.353 62.100 0.082 0.000 0.973 171 T CB 0.229 69.170 68.868 0.121 0.000 1.036 171 T HN 0.434 nan 8.240 nan 0.000 0.502 172 P HA 0.348 nan 4.420 nan 0.000 0.270 172 P C 0.754 178.124 177.300 0.117 0.000 1.242 172 P CA 0.670 63.765 63.100 -0.010 0.000 0.768 172 P CB 0.212 31.869 31.700 -0.073 0.000 0.820 173 G N 5.325 114.161 108.800 0.060 0.000 2.856 173 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.674 173 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.674 173 G C -1.961 173.019 174.900 0.133 0.000 1.519 173 G CA -0.758 44.397 45.100 0.093 0.000 0.940 173 G HN 0.273 nan 8.290 nan 0.000 0.564 174 P HA -0.145 nan 4.420 nan 0.000 0.216 174 P C 1.642 179.012 177.300 0.117 0.000 1.157 174 P CA 2.243 65.398 63.100 0.092 0.000 0.880 174 P CB 0.002 31.748 31.700 0.077 0.000 0.791 175 W N -1.289 119.984 121.300 -0.045 0.000 2.378 175 W HA -0.187 4.473 4.660 -0.000 0.000 0.313 175 W C 2.184 178.628 176.519 -0.124 0.000 1.197 175 W CA 1.396 58.669 57.345 -0.120 0.000 1.304 175 W CB -1.035 28.298 29.460 -0.211 0.000 1.148 175 W HN -0.110 nan 8.180 nan 0.000 0.494 176 Y N 0.240 120.718 120.300 0.297 0.000 2.293 176 Y HA -0.182 4.368 4.550 -0.000 0.000 0.291 176 Y C 2.284 178.176 175.900 -0.014 0.000 1.137 176 Y CA 1.683 59.865 58.100 0.137 0.000 1.202 176 Y CB -0.879 37.700 38.460 0.197 0.000 0.990 176 Y HN -0.045 nan 8.280 nan 0.000 0.537 177 I N -1.351 119.307 120.570 0.146 0.000 2.163 177 I HA -0.329 3.841 4.170 -0.000 0.000 0.240 177 I C 2.342 178.438 176.117 -0.034 0.000 1.081 177 I CA 1.471 62.807 61.300 0.060 0.000 1.353 177 I CB -0.552 37.483 38.000 0.058 0.000 1.054 177 I HN 0.021 nan 8.210 nan 0.000 0.407 178 S N 0.409 116.052 115.700 -0.094 0.000 2.359 178 S HA -0.232 4.238 4.470 -0.000 0.000 0.224 178 S C 2.090 176.546 174.600 -0.239 0.000 1.035 178 S CA 1.423 59.523 58.200 -0.168 0.000 1.018 178 S CB -0.323 62.746 63.200 -0.218 0.000 0.876 178 S HN 0.268 nan 8.310 nan 0.000 0.448 179 R N 0.866 121.154 120.500 -0.354 0.000 2.081 179 R HA 0.130 4.470 4.340 -0.000 0.000 0.235 179 R C 2.243 178.428 176.300 -0.191 0.000 1.131 179 R CA 1.263 57.140 56.100 -0.372 0.000 0.960 179 R CB -0.347 29.615 30.300 -0.564 0.000 0.856 179 R HN 0.313 nan 8.270 nan 0.000 0.436 180 M N -0.335 119.197 119.600 -0.113 0.000 2.319 180 M HA -0.019 4.460 4.480 -0.000 0.000 0.265 180 M C 1.991 178.201 176.300 -0.150 0.000 1.068 180 M CA 1.164 56.390 55.300 -0.123 0.000 1.118 180 M CB -0.519 32.032 32.600 -0.082 0.000 1.395 180 M HN 0.167 nan 8.290 nan 0.000 0.435 181 L N -0.398 120.755 121.223 -0.117 0.000 2.093 181 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 181 L C 2.511 179.306 176.870 -0.124 0.000 1.085 181 L CA 1.159 55.936 54.840 -0.105 0.000 0.755 181 L CB -0.396 41.616 42.059 -0.078 0.000 0.904 181 L HN 0.388 nan 8.230 nan 0.000 0.435 182 Q N -0.418 119.299 119.800 -0.138 0.000 2.049 182 Q HA -0.138 4.202 4.340 -0.000 0.000 0.198 182 Q C 2.422 178.347 176.000 -0.125 0.000 0.971 182 Q CA 1.443 57.165 55.803 -0.135 0.000 0.833 182 Q CB -0.241 28.409 28.738 -0.147 0.000 0.896 182 Q HN 0.518 nan 8.270 nan 0.000 0.434 183 A N 1.220 123.959 122.820 -0.136 0.000 2.024 183 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 183 A C 2.263 179.759 177.584 -0.147 0.000 1.164 183 A CA 1.516 53.475 52.037 -0.130 0.000 0.643 183 A CB -0.684 18.230 19.000 -0.143 0.000 0.806 183 A HN 0.399 nan 8.150 nan 0.000 0.451 184 A N -0.148 122.567 122.820 -0.176 0.000 1.972 184 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 184 A C 1.677 179.206 177.584 -0.091 0.000 1.169 184 A CA 1.692 53.622 52.037 -0.179 0.000 0.635 184 A CB -0.494 18.401 19.000 -0.174 0.000 0.810 184 A HN 0.439 nan 8.150 nan 0.000 0.446 185 D N -0.056 120.302 120.400 -0.071 0.000 2.265 185 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 185 D C 1.803 178.172 176.300 0.116 0.000 0.977 185 D CA 1.344 55.339 54.000 -0.009 0.000 0.871 185 D CB -0.059 40.672 40.800 -0.115 0.000 0.925 185 D HN 0.416 nan 8.370 nan 0.000 0.485 186 S N -0.393 115.332 115.700 0.040 0.000 2.528 186 S HA 0.097 4.567 4.470 -0.000 0.000 0.219 186 S C 1.019 175.628 174.600 0.014 0.000 0.985 186 S CA -0.075 58.149 58.200 0.040 0.000 0.914 186 S CB 0.529 63.732 63.200 0.005 0.000 0.776 186 S HN 0.188 nan 8.310 nan 0.000 0.526 187 L N 3.236 124.455 121.223 -0.006 0.000 2.292 187 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 187 L C -1.765 175.126 176.870 0.035 0.000 1.065 187 L CA -1.986 52.856 54.840 0.002 0.000 0.806 187 L CB 0.647 42.681 42.059 -0.043 0.000 1.175 187 L HN -0.105 nan 8.230 nan 0.000 0.431 188 P HA 0.001 nan 4.420 nan 0.000 0.258 188 P C -0.326 177.017 177.300 0.072 0.000 1.403 188 P CA 0.345 63.476 63.100 0.052 0.000 0.826 188 P CB -0.070 31.655 31.700 0.041 0.000 1.414 189 V N -3.825 116.145 119.914 0.094 0.000 3.102 189 V HA 0.547 4.667 4.120 -0.000 0.000 0.312 189 V C -0.290 175.884 176.094 0.134 0.000 1.135 189 V CA -1.441 60.935 62.300 0.126 0.000 1.022 189 V CB 1.728 33.654 31.823 0.171 0.000 1.056 189 V HN -0.203 nan 8.190 nan 0.000 0.436 190 N N 1.750 120.549 118.700 0.166 0.000 2.513 190 N HA 0.546 5.286 4.740 -0.000 0.000 0.268 190 N C -0.750 174.940 175.510 0.300 0.000 1.180 190 N CA 0.219 53.386 53.050 0.194 0.000 0.948 190 N CB 1.233 39.916 38.487 0.326 0.000 1.083 190 N HN 0.715 nan 8.380 nan 0.000 0.455 191 I N -0.002 120.732 120.570 0.273 0.000 2.689 191 I HA 0.534 4.704 4.170 -0.000 0.000 0.299 191 I C 0.360 176.723 176.117 0.409 0.000 1.059 191 I CA -0.861 60.638 61.300 0.331 0.000 1.055 191 I CB 2.453 40.561 38.000 0.180 0.000 1.243 191 I HN 0.421 nan 8.210 nan 0.000 0.425 192 G N 5.566 114.589 108.800 0.371 0.000 2.701 192 G HA2 0.684 4.644 3.960 -0.000 0.000 0.300 192 G HA3 0.684 4.644 3.960 -0.000 0.000 0.300 192 G C -1.394 173.652 174.900 0.244 0.000 1.410 192 G CA -0.465 44.817 45.100 0.303 0.000 1.014 192 G HN 0.375 nan 8.290 nan 0.000 0.509 193 L N 1.312 122.654 121.223 0.197 0.000 2.344 193 L HA 0.622 4.962 4.340 -0.000 0.000 0.272 193 L C -0.172 176.785 176.870 0.144 0.000 1.035 193 L CA -0.952 54.004 54.840 0.194 0.000 0.807 193 L CB 1.868 44.018 42.059 0.151 0.000 1.237 193 L HN 0.198 nan 8.230 nan 0.000 0.442 194 L N 0.961 122.267 121.223 0.139 0.000 2.346 194 L HA 0.628 4.968 4.340 -0.000 0.000 0.276 194 L C 0.420 177.341 176.870 0.085 0.000 1.006 194 L CA -0.458 54.443 54.840 0.101 0.000 0.817 194 L CB 1.856 43.970 42.059 0.092 0.000 1.272 194 L HN 0.686 nan 8.230 nan 0.000 0.421 195 G N 1.235 110.069 108.800 0.056 0.000 2.531 195 G HA2 0.296 4.256 3.960 -0.000 0.000 0.313 195 G HA3 0.296 4.256 3.960 -0.000 0.000 0.313 195 G C -0.973 173.921 174.900 -0.009 0.000 1.238 195 G CA -0.561 44.555 45.100 0.026 0.000 0.994 195 G HN 0.531 nan 8.290 nan 0.000 0.493 196 K N -0.118 120.234 120.400 -0.081 0.000 2.285 196 K HA 0.343 4.663 4.320 -0.000 0.000 0.286 196 K C 0.889 177.411 176.600 -0.129 0.000 1.072 196 K CA -0.097 56.082 56.287 -0.180 0.000 0.913 196 K CB 0.627 32.860 32.500 -0.446 0.000 1.067 196 K HN 0.444 nan 8.250 nan 0.000 0.479 197 G N 3.505 112.265 108.800 -0.066 0.000 3.126 197 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.224 197 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.224 197 G C -0.228 174.654 174.900 -0.030 0.000 1.142 197 G CA -0.388 44.688 45.100 -0.040 0.000 0.759 197 G HN 0.637 nan 8.290 nan 0.000 0.550 198 N N 0.979 119.657 118.700 -0.037 0.000 2.605 198 N HA 0.424 5.164 4.740 -0.000 0.000 0.258 198 N C -0.978 174.519 175.510 -0.022 0.000 1.156 198 N CA 0.181 53.236 53.050 0.009 0.000 1.008 198 N CB 1.370 39.917 38.487 0.100 0.000 1.354 198 N HN 0.008 nan 8.380 nan 0.000 0.509 199 V N -0.422 119.482 119.914 -0.016 0.000 3.000 199 V HA 0.265 4.385 4.120 -0.000 0.000 0.300 199 V C 0.164 176.252 176.094 -0.009 0.000 1.251 199 V CA -0.942 61.346 62.300 -0.019 0.000 0.972 199 V CB 2.047 33.848 31.823 -0.036 0.000 1.065 199 V HN 0.324 nan 8.190 nan 0.000 0.431 200 S N 1.334 117.031 115.700 -0.005 0.000 2.583 200 S HA 0.167 4.637 4.470 -0.000 0.000 0.239 200 S C 0.182 174.778 174.600 -0.006 0.000 0.966 200 S CA 0.011 58.209 58.200 -0.003 0.000 0.973 200 S CB -0.140 63.060 63.200 0.001 0.000 0.794 200 S HN 0.804 nan 8.310 nan 0.000 0.463 201 Q N 1.417 121.211 119.800 -0.010 0.000 2.347 201 Q HA 0.412 4.752 4.340 -0.000 0.000 0.265 201 Q C -2.488 173.505 176.000 -0.012 0.000 1.024 201 Q CA -2.055 53.742 55.803 -0.010 0.000 0.731 201 Q CB 1.489 30.220 28.738 -0.011 0.000 1.245 201 Q HN -0.097 nan 8.270 nan 0.000 0.472 202 P HA -0.182 nan 4.420 nan 0.000 0.217 202 P C 0.176 177.471 177.300 -0.009 0.000 1.151 202 P CA 1.332 64.426 63.100 -0.010 0.000 0.849 202 P CB 0.378 32.073 31.700 -0.008 0.000 0.787 203 D N -0.852 119.543 120.400 -0.009 0.000 2.178 203 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 203 D C 1.942 178.236 176.300 -0.009 0.000 0.980 203 D CA 1.395 55.391 54.000 -0.007 0.000 0.842 203 D CB -0.547 40.249 40.800 -0.006 0.000 0.948 203 D HN 0.112 nan 8.370 nan 0.000 0.472 204 A N 0.316 123.128 122.820 -0.014 0.000 2.067 204 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 204 A C 2.300 179.871 177.584 -0.020 0.000 1.158 204 A CA 0.694 52.720 52.037 -0.019 0.000 0.661 204 A CB -0.378 18.605 19.000 -0.028 0.000 0.801 204 A HN 0.194 nan 8.150 nan 0.000 0.452 205 L N -1.689 119.523 121.223 -0.018 0.000 2.145 205 L HA -0.024 4.316 4.340 -0.000 0.000 0.201 205 L C 2.735 179.601 176.870 -0.007 0.000 1.075 205 L CA 0.702 55.533 54.840 -0.016 0.000 0.773 205 L CB -0.490 41.559 42.059 -0.016 0.000 0.936 205 L HN 0.282 nan 8.230 nan 0.000 0.451 206 R N 0.444 120.941 120.500 -0.005 0.000 2.103 206 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 206 R C 2.127 178.429 176.300 0.004 0.000 1.142 206 R CA 1.590 57.690 56.100 0.000 0.000 0.960 206 R CB -0.331 29.969 30.300 -0.001 0.000 0.858 206 R HN 0.451 nan 8.270 nan 0.000 0.439 207 E N 0.697 120.898 120.200 0.003 0.000 2.058 207 E HA -0.258 4.091 4.350 -0.000 0.000 0.194 207 E C 2.165 178.772 176.600 0.013 0.000 0.997 207 E CA 1.372 57.776 56.400 0.007 0.000 0.801 207 E CB -0.077 29.627 29.700 0.006 0.000 0.746 207 E HN 0.447 nan 8.360 nan 0.000 0.450 208 Q N 0.266 120.072 119.800 0.011 0.000 2.124 208 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 208 Q C 2.398 178.412 176.000 0.023 0.000 0.977 208 Q CA 1.398 57.212 55.803 0.018 0.000 0.850 208 Q CB -0.030 28.714 28.738 0.010 0.000 0.901 208 Q HN 0.168 nan 8.270 nan 0.000 0.429 209 V N 0.832 120.758 119.914 0.019 0.000 2.358 209 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 209 V C 2.214 178.322 176.094 0.024 0.000 1.047 209 V CA 1.749 64.064 62.300 0.024 0.000 1.035 209 V CB -0.902 30.932 31.823 0.019 0.000 0.658 209 V HN 0.369 nan 8.190 nan 0.000 0.452 210 A N -0.121 122.709 122.820 0.017 0.000 2.067 210 A HA 0.087 4.407 4.320 -0.000 0.000 0.219 210 A C 2.291 179.884 177.584 0.015 0.000 1.158 210 A CA 1.544 53.590 52.037 0.015 0.000 0.661 210 A CB -0.477 18.529 19.000 0.010 0.000 0.801 210 A HN 0.551 nan 8.150 nan 0.000 0.452 211 A N -1.967 120.864 122.820 0.018 0.000 2.067 211 A HA 0.399 4.719 4.320 -0.000 0.000 0.217 211 A C 1.734 179.327 177.584 0.015 0.000 1.156 211 A CA 1.623 53.670 52.037 0.016 0.000 0.683 211 A CB -0.379 18.635 19.000 0.023 0.000 0.808 211 A HN 1.584 nan 8.150 nan 0.000 0.455 212 G N -1.763 107.053 108.800 0.027 0.000 2.613 212 G HA2 0.026 3.986 3.960 -0.000 0.000 0.199 212 G HA3 0.026 3.986 3.960 -0.000 0.000 0.199 212 G C 0.311 175.245 174.900 0.058 0.000 0.991 212 G CA 0.065 45.186 45.100 0.035 0.000 0.756 212 G HN 1.403 nan 8.290 nan 0.000 0.515 213 V N 1.016 120.966 119.914 0.059 0.000 2.811 213 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 213 V C 1.692 177.838 176.094 0.087 0.000 1.063 213 V CA 0.122 62.468 62.300 0.076 0.000 1.088 213 V CB 1.180 33.043 31.823 0.067 0.000 0.982 213 V HN 0.823 nan 8.190 nan 0.000 0.485 214 I N 0.499 121.135 120.570 0.110 0.000 3.883 214 I HA 0.738 4.908 4.170 -0.000 0.000 0.326 214 I C 0.681 176.871 176.117 0.122 0.000 1.283 214 I CA 0.444 61.816 61.300 0.120 0.000 1.161 214 I CB -0.226 37.860 38.000 0.143 0.000 1.012 214 I HN 0.892 nan 8.210 nan 0.000 0.421 215 G N 1.061 109.925 108.800 0.107 0.000 2.495 215 G HA2 0.621 4.581 3.960 -0.000 0.000 0.294 215 G HA3 0.621 4.581 3.960 -0.000 0.000 0.294 215 G C -1.951 172.985 174.900 0.060 0.000 1.397 215 G CA -0.768 44.391 45.100 0.098 0.000 0.790 215 G HN 0.078 nan 8.290 nan 0.000 0.486 216 L N -0.142 121.098 121.223 0.029 0.000 2.408 216 L HA 0.579 4.919 4.340 -0.000 0.000 0.268 216 L C -0.469 176.396 176.870 -0.009 0.000 0.986 216 L CA -0.882 53.964 54.840 0.010 0.000 0.820 216 L CB 2.314 44.369 42.059 -0.007 0.000 1.303 216 L HN 0.686 nan 8.230 nan 0.000 0.411 217 C N 4.560 123.871 119.300 0.018 0.000 2.303 217 C HA 0.667 5.127 4.460 -0.000 0.000 0.326 217 C C -0.117 174.923 174.990 0.083 0.000 1.285 217 C CA -0.511 58.525 59.018 0.030 0.000 1.675 217 C CB -0.191 27.625 27.740 0.127 0.000 2.289 217 C HN 0.619 nan 8.230 nan 0.000 0.512 218 I N 6.930 127.532 120.570 0.054 0.000 2.315 218 I HA 0.406 4.576 4.170 -0.000 0.000 0.291 218 I C 0.389 176.626 176.117 0.199 0.000 1.006 218 I CA 0.459 61.823 61.300 0.107 0.000 1.265 218 I CB 0.400 38.423 38.000 0.038 0.000 1.387 218 I HN 0.663 nan 8.210 nan 0.000 0.475 219 H N 5.861 125.029 119.070 0.163 0.000 2.600 219 H HA 0.223 4.779 4.556 -0.000 0.000 0.357 219 H C 0.554 175.897 175.328 0.025 0.000 1.106 219 H CA -0.407 55.693 56.048 0.085 0.000 1.193 219 H CB 1.959 31.810 29.762 0.148 0.000 1.594 219 H HN 0.823 nan 8.280 nan 0.000 0.526 220 E N 2.093 122.201 120.200 -0.153 0.000 2.209 220 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 220 E C 0.090 176.697 176.600 0.011 0.000 0.993 220 E CA 1.436 57.799 56.400 -0.061 0.000 0.819 220 E CB 0.182 29.810 29.700 -0.120 0.000 0.745 220 E HN 0.451 nan 8.360 nan 0.000 0.477 221 D N 0.118 120.571 120.400 0.088 0.000 2.264 221 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 221 D C 0.587 176.798 176.300 -0.148 0.000 0.966 221 D CA 0.896 54.842 54.000 -0.089 0.000 0.864 221 D CB -0.186 40.470 40.800 -0.241 0.000 0.933 221 D HN 0.483 nan 8.370 nan 0.000 0.499 222 W N 0.226 121.576 121.300 0.085 0.000 3.127 222 W HA 0.390 5.050 4.660 0.000 0.000 0.344 222 W C 0.558 177.095 176.519 0.031 0.000 1.151 222 W CA -0.080 57.293 57.345 0.047 0.000 1.765 222 W CB 0.932 30.419 29.460 0.045 0.000 1.085 222 W HN -0.080 nan 8.180 nan 0.000 0.596 223 G N 1.335 110.260 108.800 0.208 0.000 2.780 223 G HA2 0.089 4.048 3.960 -0.000 0.000 0.364 223 G HA3 0.089 4.048 3.960 -0.000 0.000 0.364 223 G C -0.320 174.638 174.900 0.096 0.000 1.045 223 G CA -0.603 44.567 45.100 0.117 0.000 1.202 223 G HN 0.389 nan 8.290 nan 0.000 0.534 224 A N 2.340 125.194 122.820 0.058 0.000 3.126 224 A HA 0.693 5.013 4.320 -0.000 0.000 0.268 224 A C 1.215 178.816 177.584 0.028 0.000 1.605 224 A CA 0.790 52.853 52.037 0.044 0.000 1.305 224 A CB -0.464 18.552 19.000 0.026 0.000 1.160 224 A HN 2.018 nan 8.150 nan 0.000 0.609 225 T N -2.231 112.341 114.554 0.030 0.000 2.899 225 T HA 0.436 4.786 4.350 -0.000 0.000 0.284 225 T C -1.822 172.891 174.700 0.022 0.000 1.004 225 T CA -1.675 60.438 62.100 0.022 0.000 1.043 225 T CB 1.122 70.000 68.868 0.016 0.000 1.013 225 T HN 0.089 nan 8.240 nan 0.000 0.518 226 P HA -0.086 nan 4.420 nan 0.000 0.216 226 P C 1.635 178.940 177.300 0.007 0.000 1.150 226 P CA 1.503 64.611 63.100 0.013 0.000 0.843 226 P CB -0.237 31.467 31.700 0.008 0.000 0.787 227 A N -0.057 122.767 122.820 0.007 0.000 1.877 227 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 227 A C 2.331 179.918 177.584 0.005 0.000 1.186 227 A CA 2.204 54.244 52.037 0.004 0.000 0.620 227 A CB -1.630 17.373 19.000 0.004 0.000 0.822 227 A HN 0.193 nan 8.150 nan 0.000 0.443 228 A N -0.059 122.767 122.820 0.011 0.000 1.858 228 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 228 A C 2.155 179.743 177.584 0.007 0.000 1.190 228 A CA 1.605 53.650 52.037 0.012 0.000 0.617 228 A CB -0.711 18.306 19.000 0.028 0.000 0.827 228 A HN 0.492 nan 8.150 nan 0.000 0.443 229 I N -0.175 120.400 120.570 0.008 0.000 2.118 229 I HA -0.302 3.868 4.170 -0.000 0.000 0.241 229 I C 2.374 178.486 176.117 -0.009 0.000 1.070 229 I CA 2.084 63.384 61.300 -0.001 0.000 1.327 229 I CB -0.426 37.575 38.000 0.002 0.000 1.034 229 I HN 0.467 nan 8.210 nan 0.000 0.405 230 D N 0.035 120.431 120.400 -0.007 0.000 2.117 230 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 230 D C 2.290 178.584 176.300 -0.011 0.000 0.987 230 D CA 1.303 55.297 54.000 -0.010 0.000 0.829 230 D CB -0.201 40.595 40.800 -0.007 0.000 0.961 230 D HN 0.414 nan 8.370 nan 0.000 0.460 231 C N -0.034 119.262 119.300 -0.008 0.000 2.432 231 C HA 0.087 4.547 4.460 -0.000 0.000 0.277 231 C C 2.890 177.873 174.990 -0.013 0.000 1.249 231 C CA 1.502 60.514 59.018 -0.009 0.000 1.725 231 C CB -1.478 26.258 27.740 -0.008 0.000 2.028 231 C HN 0.444 nan 8.230 nan 0.000 0.477 232 A N 0.158 122.970 122.820 -0.014 0.000 1.902 232 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 232 A C 2.172 179.743 177.584 -0.023 0.000 1.181 232 A CA 1.746 53.772 52.037 -0.019 0.000 0.623 232 A CB -0.714 18.274 19.000 -0.020 0.000 0.818 232 A HN 0.671 nan 8.150 nan 0.000 0.443 233 L N -0.849 120.359 121.223 -0.025 0.000 2.141 233 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 233 L C 2.711 179.567 176.870 -0.023 0.000 1.094 233 L CA 1.509 56.331 54.840 -0.029 0.000 0.763 233 L CB -0.706 41.334 42.059 -0.032 0.000 0.908 233 L HN 0.340 nan 8.230 nan 0.000 0.437 234 T N -0.586 113.957 114.554 -0.018 0.000 2.737 234 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 234 T C 1.990 176.681 174.700 -0.014 0.000 1.038 234 T CA 1.327 63.418 62.100 -0.015 0.000 1.144 234 T CB -0.087 68.774 68.868 -0.012 0.000 0.866 234 T HN 0.054 nan 8.240 nan 0.000 0.434 235 V N 1.693 121.599 119.914 -0.013 0.000 2.358 235 V HA -0.127 3.993 4.120 -0.000 0.000 0.246 235 V C 2.861 178.948 176.094 -0.011 0.000 1.047 235 V CA 1.557 63.850 62.300 -0.011 0.000 1.035 235 V CB -1.200 30.617 31.823 -0.010 0.000 0.658 235 V HN 0.507 nan 8.190 nan 0.000 0.452 236 A N -0.019 122.791 122.820 -0.016 0.000 1.908 236 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 236 A C 2.003 179.576 177.584 -0.019 0.000 1.181 236 A CA 2.190 54.215 52.037 -0.019 0.000 0.627 236 A CB -0.705 18.277 19.000 -0.030 0.000 0.818 236 A HN 0.514 nan 8.150 nan 0.000 0.445 237 D N -0.287 120.101 120.400 -0.020 0.000 2.182 237 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 237 D C 2.023 178.314 176.300 -0.015 0.000 0.986 237 D CA 1.631 55.619 54.000 -0.019 0.000 0.847 237 D CB -0.235 40.554 40.800 -0.019 0.000 0.942 237 D HN 0.883 nan 8.370 nan 0.000 0.467 238 E N -0.763 119.430 120.200 -0.012 0.000 2.340 238 E HA 0.037 4.386 4.350 -0.000 0.000 0.194 238 E C 1.583 178.179 176.600 -0.006 0.000 0.996 238 E CA 0.255 56.650 56.400 -0.009 0.000 0.869 238 E CB -0.034 29.661 29.700 -0.007 0.000 0.835 238 E HN 0.207 nan 8.360 nan 0.000 0.493 239 M N 0.809 120.406 119.600 -0.005 0.000 2.333 239 M HA 0.130 4.610 4.480 -0.000 0.000 0.257 239 M C -0.325 175.977 176.300 0.003 0.000 1.078 239 M CA -0.041 55.260 55.300 0.001 0.000 1.005 239 M CB 0.502 33.105 32.600 0.005 0.000 1.444 239 M HN -0.111 nan 8.290 nan 0.000 0.496 240 D N 2.753 123.150 120.400 -0.004 0.000 2.760 240 D HA -0.143 4.497 4.640 -0.000 0.000 0.244 240 D C -1.104 175.198 176.300 0.004 0.000 1.123 240 D CA 0.577 54.574 54.000 -0.006 0.000 0.719 240 D CB -0.806 39.991 40.800 -0.005 0.000 1.045 240 D HN 0.501 nan 8.370 nan 0.000 0.426 241 I N -2.358 118.212 120.570 -0.001 0.000 3.002 241 I HA 0.716 4.886 4.170 -0.000 0.000 0.310 241 I C -0.115 175.991 176.117 -0.019 0.000 1.087 241 I CA -1.112 60.194 61.300 0.010 0.000 1.017 241 I CB 1.631 39.647 38.000 0.027 0.000 1.226 241 I HN -0.131 nan 8.210 nan 0.000 0.443 242 Q N 1.806 121.594 119.800 -0.020 0.000 2.222 242 Q HA 0.712 5.052 4.340 -0.000 0.000 0.252 242 Q C -1.442 174.518 176.000 -0.067 0.000 0.926 242 Q CA -0.591 55.151 55.803 -0.101 0.000 0.899 242 Q CB 1.902 30.456 28.738 -0.307 0.000 1.250 242 Q HN 0.662 nan 8.270 nan 0.000 0.441 243 V N 2.323 122.169 119.914 -0.113 0.000 2.459 243 V HA 0.829 4.949 4.120 -0.000 0.000 0.295 243 V C -0.740 175.216 176.094 -0.230 0.000 1.029 243 V CA -0.652 61.573 62.300 -0.124 0.000 0.874 243 V CB 1.450 33.212 31.823 -0.101 0.000 0.985 243 V HN 0.854 nan 8.190 nan 0.000 0.438 244 A N 5.346 127.958 122.820 -0.346 0.000 2.303 244 A HA 0.847 5.167 4.320 -0.000 0.000 0.320 244 A C -1.101 176.085 177.584 -0.664 0.000 1.192 244 A CA -0.453 51.085 52.037 -0.831 0.000 0.821 244 A CB 1.106 19.351 19.000 -1.258 0.000 1.188 244 A HN 0.760 nan 8.150 nan 0.000 0.492 245 L N 2.054 122.897 121.223 -0.632 0.000 2.334 245 L HA 0.592 4.932 4.340 -0.000 0.000 0.276 245 L C -0.366 176.428 176.870 -0.127 0.000 1.014 245 L CA -0.169 54.507 54.840 -0.274 0.000 0.815 245 L CB 1.514 43.473 42.059 -0.166 0.000 1.268 245 L HN 0.783 nan 8.230 nan 0.000 0.428 246 H N 3.084 122.110 119.070 -0.074 0.000 2.761 246 H HA 0.470 5.026 4.556 -0.000 0.000 0.263 246 H C -0.307 174.980 175.328 -0.068 0.000 1.292 246 H CA -0.343 55.715 56.048 0.017 0.000 1.540 246 H CB 0.713 30.456 29.762 -0.032 0.000 1.569 246 H HN 0.843 nan 8.280 nan 0.000 0.510 247 S N 2.211 117.992 115.700 0.135 0.000 2.611 247 S HA -0.107 4.363 4.470 -0.000 0.000 0.252 247 S C 0.532 175.079 174.600 -0.088 0.000 1.369 247 S CA -0.575 57.641 58.200 0.027 0.000 0.975 247 S CB 0.676 63.914 63.200 0.064 0.000 0.937 247 S HN 0.733 nan 8.310 nan 0.000 0.584 248 D N 0.376 120.567 120.400 -0.349 0.000 2.441 248 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 248 D C 1.008 176.994 176.300 -0.523 0.000 1.257 248 D CA 0.056 53.812 54.000 -0.406 0.000 1.027 248 D CB -0.318 40.279 40.800 -0.338 0.000 1.084 248 D HN 0.533 nan 8.370 nan 0.000 0.514 249 T N 3.323 117.759 114.554 -0.197 0.000 2.759 249 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 249 T C 1.883 176.589 174.700 0.011 0.000 1.042 249 T CA 0.861 62.933 62.100 -0.047 0.000 1.140 249 T CB 0.004 68.942 68.868 0.116 0.000 0.864 249 T HN 0.440 nan 8.240 nan 0.000 0.455 250 L N 0.845 122.040 121.223 -0.048 0.000 2.551 250 L HA 0.089 4.429 4.340 -0.000 0.000 0.228 250 L C 0.721 177.582 176.870 -0.014 0.000 1.153 250 L CA 0.126 54.937 54.840 -0.050 0.000 0.851 250 L CB -0.691 41.286 42.059 -0.136 0.000 0.959 250 L HN 0.239 nan 8.230 nan 0.000 0.451 251 N N 0.117 118.813 118.700 -0.007 0.000 2.708 251 N HA -0.277 4.463 4.740 -0.000 0.000 0.251 251 N C 1.155 176.598 175.510 -0.111 0.000 1.123 251 N CA 1.289 54.354 53.050 0.025 0.000 0.739 251 N CB -1.053 37.486 38.487 0.087 0.000 1.113 251 N HN 0.585 nan 8.380 nan 0.000 0.561 252 E N 0.608 120.756 120.200 -0.086 0.000 2.118 252 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 252 E C 1.365 177.911 176.600 -0.091 0.000 0.992 252 E CA 1.803 58.150 56.400 -0.089 0.000 0.804 252 E CB 0.126 29.780 29.700 -0.077 0.000 0.741 252 E HN 0.590 nan 8.360 nan 0.000 0.458 253 S N -1.459 114.198 115.700 -0.072 0.000 2.512 253 S HA 0.422 4.892 4.470 -0.000 0.000 0.216 253 S C 0.527 175.073 174.600 -0.090 0.000 1.006 253 S CA -0.034 58.131 58.200 -0.060 0.000 0.915 253 S CB 1.485 64.673 63.200 -0.020 0.000 0.824 253 S HN 0.395 nan 8.310 nan 0.000 0.497 254 G N 0.307 109.022 108.800 -0.142 0.000 2.337 254 G HA2 0.394 4.354 3.960 -0.000 0.000 0.298 254 G HA3 0.394 4.354 3.960 -0.000 0.000 0.298 254 G C -1.161 173.576 174.900 -0.272 0.000 1.335 254 G CA -1.085 43.853 45.100 -0.270 0.000 0.875 254 G HN 0.073 nan 8.290 nan 0.000 0.579 255 F N -0.820 119.114 119.950 -0.026 0.000 2.251 255 F HA 0.534 5.061 4.527 -0.000 0.000 0.302 255 F C 2.001 177.358 175.800 -0.738 0.000 1.143 255 F CA 0.257 58.146 58.000 -0.186 0.000 1.104 255 F CB 0.484 39.426 39.000 -0.096 0.000 1.516 255 F HN 0.313 nan 8.300 nan 0.000 0.511 256 V N 1.290 120.844 119.914 -0.600 0.000 2.332 256 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 256 V C 2.246 178.175 176.094 -0.275 0.000 1.055 256 V CA 2.382 64.288 62.300 -0.656 0.000 1.038 256 V CB -0.668 31.026 31.823 -0.216 0.000 0.651 256 V HN 0.818 nan 8.190 nan 0.000 0.450 257 E N -0.944 119.191 120.200 -0.108 0.000 2.265 257 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 257 E C 1.540 178.116 176.600 -0.039 0.000 0.996 257 E CA 1.683 58.058 56.400 -0.041 0.000 0.832 257 E CB -0.562 29.148 29.700 0.016 0.000 0.756 257 E HN 0.695 nan 8.360 nan 0.000 0.491 258 D N 0.850 121.219 120.400 -0.052 0.000 2.162 258 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 258 D C 1.673 177.954 176.300 -0.031 0.000 0.967 258 D CA 1.323 55.306 54.000 -0.030 0.000 0.840 258 D CB -0.005 40.778 40.800 -0.027 0.000 0.972 258 D HN 0.181 nan 8.370 nan 0.000 0.482 259 T N 1.719 116.242 114.554 -0.052 0.000 2.746 259 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 259 T C 2.287 176.964 174.700 -0.038 0.000 1.039 259 T CA 0.559 62.665 62.100 0.010 0.000 1.142 259 T CB -0.225 68.704 68.868 0.101 0.000 0.866 259 T HN 0.078 nan 8.240 nan 0.000 0.444 260 L N 0.712 121.884 121.223 -0.085 0.000 2.079 260 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 260 L C 2.957 179.783 176.870 -0.073 0.000 1.081 260 L CA 1.267 56.032 54.840 -0.124 0.000 0.752 260 L CB -0.603 41.346 42.059 -0.184 0.000 0.896 260 L HN 0.235 nan 8.230 nan 0.000 0.433 261 A N -0.126 122.669 122.820 -0.040 0.000 1.898 261 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 261 A C 2.539 180.113 177.584 -0.017 0.000 1.181 261 A CA 1.566 53.592 52.037 -0.018 0.000 0.620 261 A CB -0.706 18.290 19.000 -0.006 0.000 0.819 261 A HN 0.380 nan 8.150 nan 0.000 0.442 262 A N -0.024 122.786 122.820 -0.016 0.000 1.933 262 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 262 A C 2.079 179.652 177.584 -0.018 0.000 1.175 262 A CA 1.492 53.522 52.037 -0.011 0.000 0.628 262 A CB -0.638 18.361 19.000 -0.003 0.000 0.814 262 A HN 0.499 nan 8.150 nan 0.000 0.444 263 I N -0.561 119.991 120.570 -0.030 0.000 2.264 263 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 263 I C 1.770 177.868 176.117 -0.032 0.000 1.111 263 I CA 1.111 62.388 61.300 -0.039 0.000 1.382 263 I CB -0.581 37.383 38.000 -0.061 0.000 1.060 263 I HN 0.498 nan 8.210 nan 0.000 0.418 264 G N 0.855 109.639 108.800 -0.027 0.000 2.295 264 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.287 264 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.287 264 G C 0.923 175.816 174.900 -0.012 0.000 1.055 264 G CA 0.336 45.427 45.100 -0.015 0.000 0.922 264 G HN 0.986 nan 8.290 nan 0.000 0.503 265 G N -1.621 107.172 108.800 -0.012 0.000 2.187 265 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.261 265 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.261 265 G C 0.512 175.404 174.900 -0.013 0.000 1.000 265 G CA 1.200 46.299 45.100 -0.001 0.000 0.718 265 G HN 1.050 nan 8.290 nan 0.000 0.519 266 R N 0.010 120.494 120.500 -0.025 0.000 2.500 266 R HA 0.505 4.845 4.340 -0.000 0.000 0.277 266 R C 0.477 176.752 176.300 -0.042 0.000 1.026 266 R CA -0.336 55.745 56.100 -0.031 0.000 1.058 266 R CB 0.627 30.908 30.300 -0.031 0.000 1.078 266 R HN 0.138 nan 8.270 nan 0.000 0.509 267 T N 2.672 117.199 114.554 -0.046 0.000 2.934 267 T HA 0.163 4.513 4.350 -0.000 0.000 0.306 267 T C 0.130 174.785 174.700 -0.074 0.000 1.042 267 T CA 0.586 62.650 62.100 -0.059 0.000 1.145 267 T CB 0.004 68.833 68.868 -0.064 0.000 0.982 267 T HN 0.388 nan 8.240 nan 0.000 0.544 268 I N 1.705 122.226 120.570 -0.081 0.000 2.785 268 I HA 0.215 4.385 4.170 -0.000 0.000 0.293 268 I C -0.908 175.166 176.117 -0.071 0.000 1.446 268 I CA -0.800 60.444 61.300 -0.094 0.000 1.028 268 I CB 2.040 39.981 38.000 -0.097 0.000 1.349 268 I HN 0.766 nan 8.210 nan 0.000 0.438 269 H N 5.645 124.571 119.070 -0.241 0.000 2.597 269 H HA 0.433 4.989 4.556 -0.000 0.000 0.303 269 H C -0.907 174.238 175.328 -0.305 0.000 1.057 269 H CA -0.540 55.356 56.048 -0.254 0.000 1.261 269 H CB 1.026 30.614 29.762 -0.290 0.000 1.397 269 H HN 0.599 nan 8.280 nan 0.000 0.461 270 T N 3.392 117.932 114.554 -0.023 0.000 2.749 270 T HA 0.181 4.531 4.350 -0.000 0.000 0.295 270 T C -0.027 174.606 174.700 -0.112 0.000 0.936 270 T CA -0.749 61.257 62.100 -0.157 0.000 1.060 270 T CB 0.172 68.977 68.868 -0.104 0.000 0.904 270 T HN 0.204 nan 8.240 nan 0.000 0.500 271 F N 3.728 123.430 119.950 -0.413 0.000 2.450 271 F HA 0.237 4.764 4.527 -0.000 0.000 0.339 271 F C 1.516 176.905 175.800 -0.685 0.000 1.146 271 F CA -0.893 56.763 58.000 -0.572 0.000 1.267 271 F CB -0.179 38.340 39.000 -0.802 0.000 1.178 271 F HN 0.935 nan 8.300 nan 0.000 0.585 272 H N -0.714 118.523 119.070 0.277 0.000 2.166 272 H HA -0.207 4.349 4.556 -0.000 0.000 0.323 272 H C 0.822 176.202 175.328 0.086 0.000 0.936 272 H CA 0.430 56.565 56.048 0.145 0.000 1.073 272 H CB -2.444 27.359 29.762 0.067 0.000 1.592 272 H HN 0.547 nan 8.280 nan 0.000 0.346 273 T N -0.803 113.808 114.554 0.094 0.000 2.869 273 T HA -0.247 4.103 4.350 -0.000 0.000 0.270 273 T C 1.778 176.600 174.700 0.203 0.000 1.082 273 T CA 1.365 63.462 62.100 -0.006 0.000 1.123 273 T CB 0.018 68.610 68.868 -0.460 0.000 0.856 273 T HN 0.707 nan 8.240 nan 0.000 0.499 274 E N 0.732 121.149 120.200 0.363 0.000 2.150 274 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 274 E C 1.934 178.604 176.600 0.116 0.000 0.985 274 E CA 1.220 57.791 56.400 0.285 0.000 0.814 274 E CB -0.293 29.543 29.700 0.227 0.000 0.752 274 E HN 0.588 nan 8.360 nan 0.000 0.466 275 G N -0.010 108.847 108.800 0.095 0.000 2.339 275 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.209 275 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.209 275 G C 1.419 176.262 174.900 -0.095 0.000 1.015 275 G CA 0.635 45.733 45.100 -0.003 0.000 0.635 275 G HN 0.576 nan 8.290 nan 0.000 0.499 276 A N 0.753 123.523 122.820 -0.084 0.000 1.986 276 A HA 0.276 4.596 4.320 -0.000 0.000 0.220 276 A C 2.591 180.090 177.584 -0.141 0.000 1.171 276 A CA 2.521 54.494 52.037 -0.107 0.000 0.640 276 A CB -0.834 18.101 19.000 -0.109 0.000 0.811 276 A HN 1.716 nan 8.150 nan 0.000 0.451 277 G N -1.848 106.796 108.800 -0.260 0.000 2.985 277 G HA2 0.455 4.415 3.960 -0.000 0.000 0.209 277 G HA3 0.455 4.415 3.960 -0.000 0.000 0.209 277 G C 0.639 174.985 174.900 -0.923 0.000 1.165 277 G CA 0.715 45.505 45.100 -0.517 0.000 0.776 277 G HN 1.619 nan 8.290 nan 0.000 0.541 278 G N -2.118 106.245 108.800 -0.729 0.000 2.351 278 G HA2 0.576 4.536 3.960 -0.000 0.000 0.472 278 G HA3 0.576 4.536 3.960 -0.000 0.000 0.472 278 G C -0.252 174.411 174.900 -0.394 0.000 1.570 278 G CA -0.036 44.658 45.100 -0.678 0.000 0.921 278 G HN 1.794 nan 8.290 nan 0.000 0.674 279 G N 0.268 108.972 108.800 -0.160 0.000 2.340 279 G HA2 0.458 4.418 3.960 -0.000 0.000 0.527 279 G HA3 0.458 4.418 3.960 -0.000 0.000 0.527 279 G C -0.537 174.357 174.900 -0.010 0.000 1.381 279 G CA -0.423 44.652 45.100 -0.040 0.000 1.001 279 G HN 1.371 nan 8.290 nan 0.000 0.626 280 H N 0.243 119.340 119.070 0.045 0.000 3.192 280 H HA 0.305 4.861 4.556 -0.000 0.000 0.295 280 H C 1.086 176.440 175.328 0.044 0.000 0.943 280 H CA 1.376 57.463 56.048 0.064 0.000 1.416 280 H CB 0.632 30.443 29.762 0.082 0.000 1.434 280 H HN 0.926 nan 8.280 nan 0.000 0.565 281 A N 6.819 129.728 122.820 0.148 0.000 2.320 281 A HA 0.257 4.577 4.320 -0.000 0.000 0.287 281 A C -1.472 176.154 177.584 0.070 0.000 1.181 281 A CA -1.168 50.900 52.037 0.051 0.000 0.831 281 A CB 0.596 19.621 19.000 0.041 0.000 1.102 281 A HN 0.555 nan 8.150 nan 0.000 0.513 282 P HA 0.139 nan 4.420 nan 0.000 0.291 282 P C -0.456 176.805 177.300 -0.065 0.000 1.388 282 P CA 0.166 63.163 63.100 -0.171 0.000 1.061 282 P CB 0.614 32.005 31.700 -0.516 0.000 1.534 283 D N -0.192 120.218 120.400 0.017 0.000 2.491 283 D HA 0.022 4.662 4.640 -0.000 0.000 0.228 283 D C 1.263 177.600 176.300 0.062 0.000 1.183 283 D CA -0.609 53.413 54.000 0.037 0.000 0.827 283 D CB -0.393 40.425 40.800 0.030 0.000 0.989 283 D HN 0.016 nan 8.370 nan 0.000 0.494 284 I N 0.490 121.110 120.570 0.085 0.000 2.700 284 I HA -0.070 4.100 4.170 -0.000 0.000 0.261 284 I C 1.649 177.812 176.117 0.076 0.000 1.219 284 I CA 0.549 61.906 61.300 0.096 0.000 1.463 284 I CB -0.223 37.847 38.000 0.117 0.000 1.092 284 I HN 0.169 nan 8.210 nan 0.000 0.452 285 I N 0.365 120.992 120.570 0.095 0.000 2.454 285 I HA -0.291 3.879 4.170 -0.000 0.000 0.254 285 I C 2.143 178.340 176.117 0.134 0.000 1.156 285 I CA 1.740 63.129 61.300 0.149 0.000 1.433 285 I CB -0.320 37.785 38.000 0.174 0.000 1.082 285 I HN 0.475 nan 8.210 nan 0.000 0.432 286 T N -1.265 113.348 114.554 0.099 0.000 3.025 286 T HA 0.000 4.350 4.350 -0.000 0.000 0.270 286 T C 1.811 176.599 174.700 0.147 0.000 1.126 286 T CA 0.750 62.916 62.100 0.111 0.000 1.105 286 T CB -0.494 68.430 68.868 0.095 0.000 0.884 286 T HN 0.400 nan 8.240 nan 0.000 0.522 287 A N 1.311 124.180 122.820 0.081 0.000 2.019 287 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 287 A C 2.646 180.289 177.584 0.099 0.000 1.164 287 A CA 1.255 53.315 52.037 0.038 0.000 0.644 287 A CB -1.526 17.434 19.000 -0.067 0.000 0.805 287 A HN 0.999 nan 8.150 nan 0.000 0.449 288 C N -1.753 117.579 119.300 0.054 0.000 2.460 288 C HA 0.375 4.835 4.460 -0.000 0.000 0.291 288 C C 2.268 177.307 174.990 0.082 0.000 1.493 288 C CA 0.126 59.160 59.018 0.027 0.000 1.748 288 C CB -1.787 25.995 27.740 0.069 0.000 1.656 288 C HN 0.638 nan 8.230 nan 0.000 0.576 289 A N -0.845 122.057 122.820 0.137 0.000 2.238 289 A HA 0.212 4.532 4.320 -0.000 0.000 0.210 289 A C 0.830 178.380 177.584 -0.057 0.000 1.179 289 A CA -0.022 52.033 52.037 0.029 0.000 0.827 289 A CB -0.522 18.458 19.000 -0.034 0.000 0.856 289 A HN 0.863 nan 8.150 nan 0.000 0.488 290 H N -0.012 119.047 119.070 -0.018 0.000 2.467 290 H HA 0.177 4.733 4.556 -0.000 0.000 0.331 290 H C -1.652 173.659 175.328 -0.028 0.000 1.120 290 H CA -1.733 54.301 56.048 -0.022 0.000 1.270 290 H CB 1.344 31.091 29.762 -0.024 0.000 1.466 290 H HN 0.117 nan 8.280 nan 0.000 0.504 291 P HA -0.157 nan 4.420 nan 0.000 0.222 291 P C 0.800 178.110 177.300 0.017 0.000 1.147 291 P CA 1.153 64.270 63.100 0.028 0.000 0.790 291 P CB 0.348 32.055 31.700 0.011 0.000 0.780 292 N N -0.615 118.103 118.700 0.030 0.000 2.353 292 N HA 0.004 4.744 4.740 -0.000 0.000 0.185 292 N C 0.388 175.881 175.510 -0.029 0.000 1.098 292 N CA 0.162 53.209 53.050 -0.006 0.000 0.872 292 N CB -0.135 38.347 38.487 -0.008 0.000 0.970 292 N HN 0.072 nan 8.380 nan 0.000 0.467 293 I N 2.043 122.602 120.570 -0.018 0.000 2.342 293 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 293 I C 0.090 176.170 176.117 -0.063 0.000 1.010 293 I CA -0.967 60.304 61.300 -0.049 0.000 1.308 293 I CB 1.133 39.103 38.000 -0.050 0.000 1.400 293 I HN -0.028 nan 8.210 nan 0.000 0.488 294 L N 8.789 129.963 121.223 -0.081 0.000 2.297 294 L HA 0.380 4.720 4.340 -0.000 0.000 0.277 294 L C -2.248 174.557 176.870 -0.109 0.000 1.040 294 L CA -1.524 53.245 54.840 -0.118 0.000 0.867 294 L CB 1.097 43.053 42.059 -0.173 0.000 1.244 294 L HN 0.341 nan 8.230 nan 0.000 0.433 295 P HA 0.293 nan 4.420 nan 0.000 0.288 295 P C -0.826 176.344 177.300 -0.216 0.000 1.267 295 P CA -0.287 62.660 63.100 -0.256 0.000 0.815 295 P CB 1.963 33.349 31.700 -0.524 0.000 0.989 296 S N 1.223 116.869 115.700 -0.090 0.000 2.661 296 S HA 0.747 5.217 4.470 -0.000 0.000 0.285 296 S C -0.570 174.153 174.600 0.205 0.000 1.138 296 S CA -0.670 57.603 58.200 0.121 0.000 0.855 296 S CB 1.233 64.622 63.200 0.315 0.000 1.136 296 S HN 0.347 nan 8.310 nan 0.000 0.484 297 S N 0.889 116.816 115.700 0.378 0.000 2.600 297 S HA 0.835 5.305 4.470 -0.000 0.000 0.300 297 S C -0.462 174.280 174.600 0.236 0.000 1.087 297 S CA -0.758 57.684 58.200 0.403 0.000 0.965 297 S CB 1.725 65.269 63.200 0.573 0.000 1.089 297 S HN 1.025 nan 8.310 nan 0.000 0.496 298 T N -0.170 114.490 114.554 0.177 0.000 2.902 298 T HA 0.320 4.670 4.350 -0.000 0.000 0.283 298 T C 0.966 175.691 174.700 0.043 0.000 1.009 298 T CA -0.890 61.240 62.100 0.049 0.000 1.051 298 T CB 0.771 69.627 68.868 -0.021 0.000 0.999 298 T HN 0.571 nan 8.240 nan 0.000 0.474 299 N N 1.681 120.375 118.700 -0.011 0.000 2.381 299 N HA -0.048 4.692 4.740 -0.000 0.000 0.182 299 N C -0.696 174.819 175.510 0.009 0.000 1.025 299 N CA 0.449 53.489 53.050 -0.016 0.000 0.888 299 N CB -1.455 37.001 38.487 -0.052 0.000 0.965 299 N HN 0.490 nan 8.380 nan 0.000 0.438 300 P HA -0.100 nan 4.420 nan 0.000 0.220 300 P C 0.673 178.067 177.300 0.158 0.000 1.148 300 P CA 1.552 64.716 63.100 0.106 0.000 0.803 300 P CB -0.290 31.486 31.700 0.127 0.000 0.782 301 T N -3.180 111.428 114.554 0.090 0.000 3.129 301 T HA 0.224 4.574 4.350 -0.000 0.000 0.251 301 T C 0.766 175.487 174.700 0.036 0.000 1.117 301 T CA -0.098 62.009 62.100 0.013 0.000 1.034 301 T CB -0.580 68.259 68.868 -0.049 0.000 0.968 301 T HN -0.001 nan 8.240 nan 0.000 0.526 302 L N 3.220 124.463 121.223 0.034 0.000 2.276 302 L HA 0.527 4.867 4.340 -0.000 0.000 0.286 302 L C -2.472 174.411 176.870 0.022 0.000 1.024 302 L CA -2.298 52.553 54.840 0.017 0.000 0.826 302 L CB 1.693 43.732 42.059 -0.034 0.000 1.211 302 L HN -0.017 nan 8.230 nan 0.000 0.422 303 P HA 0.132 nan 4.420 nan 0.000 0.288 303 P C -1.337 176.040 177.300 0.128 0.000 1.297 303 P CA -0.759 62.388 63.100 0.077 0.000 0.864 303 P CB 1.180 32.924 31.700 0.074 0.000 1.237 304 Y N 1.623 121.918 120.300 -0.009 0.000 2.605 304 Y HA 0.286 4.836 4.550 -0.000 0.000 0.336 304 Y C 0.288 176.186 175.900 -0.004 0.000 1.111 304 Y CA 0.389 58.479 58.100 -0.017 0.000 1.422 304 Y CB -0.666 37.782 38.460 -0.020 0.000 1.193 304 Y HN 0.413 nan 8.280 nan 0.000 0.526 305 T N 2.649 117.151 114.554 -0.087 0.000 2.831 305 T HA 0.380 4.730 4.350 -0.000 0.000 0.287 305 T C 0.979 175.542 174.700 -0.227 0.000 1.070 305 T CA -0.859 61.129 62.100 -0.186 0.000 1.010 305 T CB 0.820 69.657 68.868 -0.051 0.000 1.264 305 T HN 0.589 nan 8.240 nan 0.000 0.532 306 L N 0.512 121.637 121.223 -0.162 0.000 2.079 306 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 306 L C 2.099 178.942 176.870 -0.045 0.000 1.081 306 L CA 1.288 56.060 54.840 -0.114 0.000 0.752 306 L CB -0.436 41.576 42.059 -0.077 0.000 0.896 306 L HN 0.671 nan 8.230 nan 0.000 0.433 307 N N -1.490 117.200 118.700 -0.017 0.000 2.299 307 N HA -0.014 4.726 4.740 -0.000 0.000 0.187 307 N C 1.567 177.109 175.510 0.054 0.000 1.099 307 N CA 0.484 53.543 53.050 0.015 0.000 0.867 307 N CB 0.358 38.851 38.487 0.010 0.000 0.974 307 N HN 0.223 nan 8.380 nan 0.000 0.477 308 T N 2.183 116.780 114.554 0.071 0.000 2.653 308 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 308 T C 1.959 176.745 174.700 0.143 0.000 1.035 308 T CA 0.866 63.042 62.100 0.126 0.000 1.154 308 T CB 0.062 69.000 68.868 0.117 0.000 0.862 308 T HN 0.122 nan 8.240 nan 0.000 0.441 309 I N 1.785 122.413 120.570 0.097 0.000 2.202 309 I HA -0.107 4.063 4.170 -0.000 0.000 0.242 309 I C 2.075 178.243 176.117 0.086 0.000 1.091 309 I CA 1.498 62.844 61.300 0.076 0.000 1.368 309 I CB -1.426 36.618 38.000 0.073 0.000 1.058 309 I HN 0.273 nan 8.210 nan 0.000 0.410 310 D N 0.666 121.106 120.400 0.066 0.000 2.123 310 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 310 D C 2.140 178.465 176.300 0.042 0.000 0.992 310 D CA 1.451 55.478 54.000 0.044 0.000 0.833 310 D CB -0.154 40.663 40.800 0.029 0.000 0.954 310 D HN 0.476 nan 8.370 nan 0.000 0.455 311 E N 0.068 120.304 120.200 0.060 0.000 2.031 311 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 311 E C 1.736 178.331 176.600 -0.008 0.000 0.994 311 E CA 1.070 57.485 56.400 0.024 0.000 0.800 311 E CB -0.082 29.642 29.700 0.041 0.000 0.752 311 E HN 0.397 nan 8.360 nan 0.000 0.447 312 H N 0.495 119.542 119.070 -0.037 0.000 2.457 312 H HA -0.093 4.463 4.556 -0.000 0.000 0.297 312 H C 2.054 177.342 175.328 -0.066 0.000 1.092 312 H CA 1.557 57.572 56.048 -0.054 0.000 1.309 312 H CB -0.141 29.591 29.762 -0.050 0.000 1.382 312 H HN 0.206 nan 8.280 nan 0.000 0.535 313 L N -0.286 120.961 121.223 0.039 0.000 2.079 313 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 313 L C 1.594 178.439 176.870 -0.041 0.000 1.081 313 L CA 1.415 56.251 54.840 -0.007 0.000 0.752 313 L CB -0.179 41.881 42.059 0.002 0.000 0.896 313 L HN 0.339 nan 8.230 nan 0.000 0.433 314 D N -0.893 119.474 120.400 -0.055 0.000 2.355 314 D HA -0.037 4.603 4.640 -0.000 0.000 0.206 314 D C 2.171 178.407 176.300 -0.106 0.000 1.010 314 D CA 0.411 54.370 54.000 -0.069 0.000 0.875 314 D CB 0.371 41.136 40.800 -0.059 0.000 0.966 314 D HN 0.297 nan 8.370 nan 0.000 0.512 315 M N 0.783 120.295 119.600 -0.146 0.000 2.213 315 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 315 M C 1.853 178.043 176.300 -0.183 0.000 1.062 315 M CA 0.800 55.977 55.300 -0.205 0.000 1.105 315 M CB 0.190 32.594 32.600 -0.326 0.000 1.385 315 M HN -0.032 nan 8.290 nan 0.000 0.417 316 L N 0.813 121.955 121.223 -0.134 0.000 1.976 316 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 316 L C 2.366 179.198 176.870 -0.065 0.000 1.071 316 L CA 1.876 56.661 54.840 -0.091 0.000 0.746 316 L CB -1.028 40.959 42.059 -0.118 0.000 0.890 316 L HN 0.389 nan 8.230 nan 0.000 0.432 317 M N -0.688 118.875 119.600 -0.062 0.000 2.255 317 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 317 M C 2.316 178.569 176.300 -0.079 0.000 1.069 317 M CA 1.727 57.009 55.300 -0.030 0.000 1.089 317 M CB -1.600 30.986 32.600 -0.023 0.000 1.269 317 M HN 0.100 nan 8.290 nan 0.000 0.434 318 V N 0.350 120.189 119.914 -0.125 0.000 2.250 318 V HA -0.388 3.732 4.120 -0.000 0.000 0.253 318 V C 2.753 178.654 176.094 -0.321 0.000 1.065 318 V CA 2.296 64.488 62.300 -0.181 0.000 1.039 318 V CB -1.361 30.349 31.823 -0.187 0.000 0.647 318 V HN 0.756 nan 8.190 nan 0.000 0.446 319 C N 0.667 119.738 119.300 -0.381 0.000 2.359 319 C HA -0.246 4.214 4.460 -0.000 0.000 0.277 319 C C 2.449 176.959 174.990 -0.799 0.000 1.192 319 C CA 1.653 60.311 59.018 -0.600 0.000 1.759 319 C CB -1.413 25.928 27.740 -0.665 0.000 2.038 319 C HN 0.712 nan 8.230 nan 0.000 0.448 320 H N -0.141 118.758 119.070 -0.285 0.000 2.567 320 H HA 0.162 4.718 4.556 -0.000 0.000 0.294 320 H C 0.142 175.360 175.328 -0.182 0.000 1.050 320 H CA 0.599 56.506 56.048 -0.234 0.000 1.168 320 H CB -0.818 28.944 29.762 0.000 0.000 1.422 320 H HN 0.706 nan 8.280 nan 0.000 0.562 321 H N -0.564 118.530 119.070 0.038 0.000 2.692 321 H HA -0.161 4.395 4.556 -0.000 0.000 0.316 321 H C -0.017 175.344 175.328 0.055 0.000 1.176 321 H CA 0.312 56.377 56.048 0.029 0.000 1.142 321 H CB -2.333 27.436 29.762 0.012 0.000 1.475 321 H HN 0.357 nan 8.280 nan 0.000 0.423 322 L N 0.742 122.043 121.223 0.129 0.000 2.357 322 L HA 0.296 4.636 4.340 -0.000 0.000 0.273 322 L C 1.013 177.943 176.870 0.100 0.000 1.080 322 L CA -0.304 54.623 54.840 0.145 0.000 0.803 322 L CB 1.029 43.211 42.059 0.204 0.000 1.174 322 L HN 0.046 nan 8.230 nan 0.000 0.443 323 D N 3.508 123.963 120.400 0.092 0.000 2.329 323 D HA 0.198 4.838 4.640 -0.000 0.000 0.232 323 D C -1.618 174.720 176.300 0.063 0.000 1.088 323 D CA -2.037 52.002 54.000 0.064 0.000 0.835 323 D CB 1.886 42.716 40.800 0.049 0.000 1.078 323 D HN 0.215 nan 8.370 nan 0.000 0.495 324 P HA -0.090 nan 4.420 nan 0.000 0.225 324 P C 0.387 177.710 177.300 0.038 0.000 1.148 324 P CA 0.748 63.873 63.100 0.041 0.000 0.779 324 P CB 0.750 32.465 31.700 0.024 0.000 0.780 325 D N -0.079 120.341 120.400 0.035 0.000 2.240 325 D HA 0.080 4.720 4.640 -0.000 0.000 0.206 325 D C 1.127 177.447 176.300 0.032 0.000 0.963 325 D CA 0.245 54.263 54.000 0.029 0.000 0.863 325 D CB 0.124 40.937 40.800 0.022 0.000 0.973 325 D HN 0.254 nan 8.370 nan 0.000 0.501 326 I N 2.162 122.755 120.570 0.037 0.000 2.483 326 I HA -0.018 4.152 4.170 -0.000 0.000 0.291 326 I C 1.715 177.859 176.117 0.045 0.000 1.112 326 I CA -0.463 60.858 61.300 0.034 0.000 1.350 326 I CB 1.320 39.338 38.000 0.029 0.000 1.419 326 I HN -0.116 nan 8.210 nan 0.000 0.523 327 A N 5.662 128.505 122.820 0.038 0.000 1.915 327 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 327 A C 2.067 179.686 177.584 0.059 0.000 1.198 327 A CA 1.977 54.042 52.037 0.046 0.000 0.647 327 A CB -0.388 18.633 19.000 0.034 0.000 0.825 327 A HN 0.750 nan 8.150 nan 0.000 0.456 328 E N 0.092 120.310 120.200 0.031 0.000 2.153 328 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 328 E C 1.406 178.015 176.600 0.015 0.000 0.988 328 E CA 1.322 57.723 56.400 0.002 0.000 0.811 328 E CB -0.274 29.395 29.700 -0.052 0.000 0.746 328 E HN 0.623 nan 8.360 nan 0.000 0.466 329 D N -0.965 119.474 120.400 0.065 0.000 2.312 329 D HA -0.079 4.561 4.640 -0.000 0.000 0.211 329 D C 1.659 178.194 176.300 0.393 0.000 0.964 329 D CA 0.870 54.984 54.000 0.190 0.000 0.877 329 D CB 0.320 41.202 40.800 0.136 0.000 0.924 329 D HN 0.273 nan 8.370 nan 0.000 0.515 330 V N -2.967 117.097 119.914 0.251 0.000 3.523 330 V HA 0.398 4.518 4.120 -0.000 0.000 0.255 330 V C 2.109 178.318 176.094 0.193 0.000 1.226 330 V CA 0.509 62.921 62.300 0.187 0.000 1.092 330 V CB -0.064 31.818 31.823 0.099 0.000 0.817 330 V HN 0.020 nan 8.190 nan 0.000 0.458 331 A N 2.081 125.032 122.820 0.220 0.000 1.908 331 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 331 A C 1.827 179.560 177.584 0.249 0.000 1.181 331 A CA 2.073 54.221 52.037 0.185 0.000 0.627 331 A CB -0.957 18.128 19.000 0.141 0.000 0.818 331 A HN 1.034 nan 8.150 nan 0.000 0.445 332 F N -0.320 119.644 119.950 0.024 0.000 2.695 332 F HA 0.586 5.113 4.527 -0.000 0.000 0.301 332 F C 1.553 177.360 175.800 0.012 0.000 1.182 332 F CA -0.509 57.502 58.000 0.019 0.000 1.412 332 F CB -1.289 37.716 39.000 0.008 0.000 1.056 332 F HN 0.163 nan 8.300 nan 0.000 0.522 333 A N 0.808 123.544 122.820 -0.140 0.000 1.874 333 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 333 A C 2.167 179.681 177.584 -0.117 0.000 1.189 333 A CA 1.016 52.914 52.037 -0.232 0.000 0.615 333 A CB -0.581 18.353 19.000 -0.110 0.000 0.830 333 A HN 0.458 nan 8.150 nan 0.000 0.443 334 E N 0.564 120.754 120.200 -0.017 0.000 2.347 334 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 334 E C 2.027 178.650 176.600 0.037 0.000 1.008 334 E CA 1.082 57.500 56.400 0.030 0.000 0.852 334 E CB -0.089 29.659 29.700 0.079 0.000 0.783 334 E HN 0.769 nan 8.360 nan 0.000 0.505 335 S N 0.345 116.052 115.700 0.012 0.000 2.478 335 S HA 0.022 4.492 4.470 -0.000 0.000 0.222 335 S C 1.864 176.379 174.600 -0.142 0.000 1.008 335 S CA 0.142 58.321 58.200 -0.036 0.000 0.928 335 S CB 0.214 63.461 63.200 0.078 0.000 0.781 335 S HN 0.000 nan 8.310 nan 0.000 0.518 336 R N 1.443 121.852 120.500 -0.152 0.000 2.075 336 R HA 0.374 4.714 4.340 -0.000 0.000 0.220 336 R C 0.153 176.354 176.300 -0.166 0.000 1.118 336 R CA 0.781 56.768 56.100 -0.188 0.000 0.986 336 R CB -0.300 29.812 30.300 -0.315 0.000 0.884 336 R HN 0.450 nan 8.270 nan 0.000 0.439 337 I N 2.410 122.897 120.570 -0.138 0.000 2.287 337 I HA 0.303 4.473 4.170 -0.000 0.000 0.290 337 I C -0.632 175.430 176.117 -0.092 0.000 1.069 337 I CA -0.317 60.915 61.300 -0.113 0.000 1.237 337 I CB 1.233 39.193 38.000 -0.067 0.000 1.418 337 I HN 0.047 nan 8.210 nan 0.000 0.481 338 R N 4.886 125.315 120.500 -0.119 0.000 2.439 338 R HA 0.375 4.715 4.340 -0.000 0.000 0.310 338 R C 0.986 177.226 176.300 -0.099 0.000 0.955 338 R CA -0.795 55.263 56.100 -0.070 0.000 0.853 338 R CB 2.076 32.303 30.300 -0.123 0.000 1.171 338 R HN 0.486 nan 8.270 nan 0.000 0.449 339 R N 2.016 122.476 120.500 -0.067 0.000 2.105 339 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 339 R C 0.523 176.677 176.300 -0.244 0.000 1.135 339 R CA 1.976 57.985 56.100 -0.152 0.000 0.967 339 R CB 0.255 30.540 30.300 -0.025 0.000 0.861 339 R HN 0.600 nan 8.270 nan 0.000 0.442 340 E N -0.370 119.770 120.200 -0.100 0.000 2.058 340 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 340 E C 2.034 178.559 176.600 -0.126 0.000 0.997 340 E CA 2.276 58.626 56.400 -0.083 0.000 0.801 340 E CB -0.285 29.431 29.700 0.027 0.000 0.746 340 E HN 0.596 nan 8.360 nan 0.000 0.450 341 T N -1.034 113.452 114.554 -0.113 0.000 2.904 341 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 341 T C 2.010 176.606 174.700 -0.174 0.000 1.059 341 T CA 0.620 62.652 62.100 -0.113 0.000 1.137 341 T CB -0.336 68.483 68.868 -0.082 0.000 0.879 341 T HN 0.042 nan 8.240 nan 0.000 0.467 342 I N 1.780 122.202 120.570 -0.248 0.000 2.226 342 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 342 I C 3.130 179.009 176.117 -0.395 0.000 1.100 342 I CA 1.326 62.442 61.300 -0.307 0.000 1.374 342 I CB -0.484 37.297 38.000 -0.366 0.000 1.057 342 I HN 0.368 nan 8.210 nan 0.000 0.413 343 A N 0.440 122.914 122.820 -0.577 0.000 1.930 343 A HA 0.001 4.321 4.320 -0.000 0.000 0.215 343 A C 2.520 179.999 177.584 -0.175 0.000 1.176 343 A CA 1.343 53.111 52.037 -0.449 0.000 0.632 343 A CB -0.640 18.081 19.000 -0.465 0.000 0.819 343 A HN 0.398 nan 8.150 nan 0.000 0.445 344 A N -0.164 122.553 122.820 -0.171 0.000 1.933 344 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 344 A C 1.986 179.460 177.584 -0.183 0.000 1.175 344 A CA 1.724 53.683 52.037 -0.130 0.000 0.628 344 A CB -0.537 18.399 19.000 -0.106 0.000 0.814 344 A HN 0.657 nan 8.150 nan 0.000 0.444 345 E N -0.103 119.958 120.200 -0.231 0.000 2.097 345 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 345 E C 1.212 177.685 176.600 -0.212 0.000 1.000 345 E CA 1.568 57.744 56.400 -0.374 0.000 0.804 345 E CB -0.165 29.398 29.700 -0.229 0.000 0.740 345 E HN 0.546 nan 8.360 nan 0.000 0.454 346 D N -0.263 120.101 120.400 -0.061 0.000 2.117 346 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 346 D C 1.990 178.325 176.300 0.059 0.000 0.987 346 D CA 1.026 55.056 54.000 0.049 0.000 0.829 346 D CB -0.077 40.766 40.800 0.071 0.000 0.961 346 D HN 0.110 nan 8.370 nan 0.000 0.460 347 V N 0.598 120.507 119.914 -0.008 0.000 2.323 347 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 347 V C 2.552 178.624 176.094 -0.037 0.000 1.041 347 V CA 0.918 63.220 62.300 0.003 0.000 1.025 347 V CB -0.461 31.355 31.823 -0.012 0.000 0.656 347 V HN 0.185 nan 8.190 nan 0.000 0.451 348 L N -0.694 120.434 121.223 -0.159 0.000 2.187 348 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 348 L C 2.446 179.174 176.870 -0.237 0.000 1.100 348 L CA 1.637 56.334 54.840 -0.237 0.000 0.765 348 L CB -0.650 41.133 42.059 -0.461 0.000 0.904 348 L HN 0.427 nan 8.230 nan 0.000 0.437 349 H N -1.193 117.765 119.070 -0.186 0.000 2.333 349 H HA -0.162 4.394 4.556 -0.000 0.000 0.302 349 H C 1.948 177.174 175.328 -0.169 0.000 1.075 349 H CA 1.586 57.548 56.048 -0.142 0.000 1.348 349 H CB 0.145 29.840 29.762 -0.111 0.000 1.393 349 H HN 0.172 nan 8.280 nan 0.000 0.509 350 D N -0.044 120.420 120.400 0.106 0.000 2.182 350 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 350 D C 1.666 178.021 176.300 0.092 0.000 0.986 350 D CA 0.824 54.924 54.000 0.166 0.000 0.847 350 D CB -0.015 40.915 40.800 0.217 0.000 0.942 350 D HN 0.326 nan 8.370 nan 0.000 0.467 351 L N -1.678 119.574 121.223 0.048 0.000 2.446 351 L HA 0.214 4.554 4.340 -0.000 0.000 0.219 351 L C 1.703 178.604 176.870 0.051 0.000 1.116 351 L CA 0.576 55.449 54.840 0.055 0.000 0.844 351 L CB 0.025 42.104 42.059 0.034 0.000 0.970 351 L HN 0.254 nan 8.230 nan 0.000 0.457 352 G N -0.632 108.173 108.800 0.008 0.000 2.144 352 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 352 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 352 G C 0.923 175.837 174.900 0.022 0.000 0.988 352 G CA 0.346 45.455 45.100 0.014 0.000 0.659 352 G HN 0.373 nan 8.290 nan 0.000 0.522 353 A N -0.822 122.016 122.820 0.030 0.000 2.016 353 A HA 0.597 4.917 4.320 -0.000 0.000 0.217 353 A C 0.647 178.348 177.584 0.194 0.000 1.162 353 A CA 0.909 53.004 52.037 0.097 0.000 0.662 353 A CB -0.029 19.040 19.000 0.114 0.000 0.812 353 A HN 0.603 nan 8.150 nan 0.000 0.450 354 F N -0.242 119.540 119.950 -0.279 0.000 2.427 354 F HA 0.425 4.952 4.527 -0.000 0.000 0.346 354 F C 1.153 176.779 175.800 -0.290 0.000 1.120 354 F CA -1.108 56.662 58.000 -0.383 0.000 1.033 354 F CB 1.896 40.363 39.000 -0.888 0.000 1.126 354 F HN -0.040 nan 8.300 nan 0.000 0.462 355 S N 2.594 118.279 115.700 -0.024 0.000 2.503 355 S HA 0.294 4.764 4.470 -0.000 0.000 0.215 355 S C -0.022 174.605 174.600 0.045 0.000 1.003 355 S CA 0.137 58.334 58.200 -0.005 0.000 0.910 355 S CB 0.181 63.352 63.200 -0.048 0.000 0.790 355 S HN 0.258 nan 8.310 nan 0.000 0.514 356 L N 1.053 122.343 121.223 0.112 0.000 2.327 356 L HA 0.601 4.941 4.340 -0.000 0.000 0.258 356 L C -0.155 176.877 176.870 0.270 0.000 1.024 356 L CA -0.430 54.497 54.840 0.145 0.000 0.825 356 L CB 1.809 43.906 42.059 0.062 0.000 1.386 356 L HN 0.005 nan 8.230 nan 0.000 0.417 357 T N -2.187 112.485 114.554 0.197 0.000 2.893 357 T HA 0.913 5.263 4.350 -0.000 0.000 0.293 357 T C -0.478 174.301 174.700 0.132 0.000 1.027 357 T CA -0.525 61.667 62.100 0.153 0.000 0.988 357 T CB 1.767 70.664 68.868 0.049 0.000 1.043 357 T HN 0.772 nan 8.240 nan 0.000 0.461 358 S N 0.985 116.745 115.700 0.100 0.000 2.776 358 S HA 0.717 5.186 4.470 -0.000 0.000 0.292 358 S C 0.934 175.521 174.600 -0.022 0.000 1.187 358 S CA -0.102 58.139 58.200 0.067 0.000 0.834 358 S CB 1.223 64.504 63.200 0.136 0.000 1.199 358 S HN 1.119 nan 8.310 nan 0.000 0.514 359 S N -0.099 115.558 115.700 -0.072 0.000 2.438 359 S HA 0.250 4.720 4.470 -0.000 0.000 0.220 359 S C 0.221 174.685 174.600 -0.227 0.000 1.045 359 S CA 1.060 59.185 58.200 -0.125 0.000 0.940 359 S CB -0.741 62.394 63.200 -0.108 0.000 0.863 359 S HN 1.158 nan 8.310 nan 0.000 0.539 360 D N 1.681 121.884 120.400 -0.329 0.000 2.813 360 D HA -0.125 4.515 4.640 -0.000 0.000 0.241 360 D C -0.484 175.704 176.300 -0.187 0.000 1.071 360 D CA 0.680 54.394 54.000 -0.477 0.000 0.747 360 D CB -1.851 38.601 40.800 -0.581 0.000 1.077 360 D HN 0.639 nan 8.370 nan 0.000 0.436 361 S N 0.909 116.550 115.700 -0.099 0.000 2.737 361 S HA 0.071 4.541 4.470 -0.000 0.000 0.315 361 S C 1.013 175.527 174.600 -0.143 0.000 1.236 361 S CA 0.798 58.933 58.200 -0.109 0.000 1.093 361 S CB 0.960 64.095 63.200 -0.108 0.000 0.832 361 S HN 0.439 nan 8.310 nan 0.000 0.507 362 Q N 0.233 119.930 119.800 -0.172 0.000 2.461 362 Q HA -0.279 4.061 4.340 -0.000 0.000 0.264 362 Q C 0.381 176.181 176.000 -0.333 0.000 1.085 362 Q CA 0.968 56.646 55.803 -0.208 0.000 1.006 362 Q CB -2.076 26.581 28.738 -0.135 0.000 1.437 362 Q HN 1.210 nan 8.270 nan 0.000 0.514 363 A N -0.118 122.457 122.820 -0.407 0.000 2.758 363 A HA 0.569 4.889 4.320 -0.000 0.000 0.223 363 A C 0.460 177.833 177.584 -0.351 0.000 0.877 363 A CA 0.266 51.991 52.037 -0.520 0.000 1.152 363 A CB 0.603 19.009 19.000 -0.989 0.000 1.239 363 A HN 0.332 nan 8.150 nan 0.000 0.470 364 M N -1.523 117.907 119.600 -0.283 0.000 3.099 364 M HA -0.116 4.364 4.480 -0.000 0.000 0.246 364 M C 0.061 176.249 176.300 -0.186 0.000 0.468 364 M CA 0.649 55.812 55.300 -0.228 0.000 0.919 364 M CB -1.344 31.158 32.600 -0.164 0.000 3.282 364 M HN 1.180 nan 8.290 nan 0.000 0.422 365 G N 0.574 109.259 108.800 -0.191 0.000 2.579 365 G HA2 0.706 4.666 3.960 -0.000 0.000 0.292 365 G HA3 0.706 4.666 3.960 -0.000 0.000 0.292 365 G C -1.476 173.337 174.900 -0.145 0.000 1.484 365 G CA -1.070 43.937 45.100 -0.155 0.000 0.813 365 G HN 0.200 nan 8.290 nan 0.000 0.515 366 R N 1.327 121.755 120.500 -0.121 0.000 2.288 366 R HA 0.408 4.748 4.340 -0.000 0.000 0.326 366 R C 1.071 177.310 176.300 -0.101 0.000 0.959 366 R CA -0.739 55.294 56.100 -0.113 0.000 0.834 366 R CB 2.121 32.354 30.300 -0.112 0.000 1.157 366 R HN 0.329 nan 8.270 nan 0.000 0.470 367 V N 2.951 122.809 119.914 -0.094 0.000 2.453 367 V HA -0.165 3.955 4.120 -0.000 0.000 0.252 367 V C 1.391 177.445 176.094 -0.067 0.000 1.068 367 V CA 2.575 64.827 62.300 -0.080 0.000 1.070 367 V CB -0.130 31.651 31.823 -0.069 0.000 0.664 367 V HN 1.002 nan 8.190 nan 0.000 0.461 368 G N -1.247 107.513 108.800 -0.067 0.000 3.448 368 G HA2 0.172 4.132 3.960 -0.000 0.000 0.261 368 G HA3 0.172 4.132 3.960 -0.000 0.000 0.261 368 G C 0.664 175.527 174.900 -0.062 0.000 1.173 368 G CA 0.081 45.148 45.100 -0.055 0.000 0.835 368 G HN 0.621 nan 8.290 nan 0.000 0.534 369 E N -0.142 120.008 120.200 -0.082 0.000 2.812 369 E HA 0.125 4.475 4.350 -0.000 0.000 0.211 369 E C 1.379 177.913 176.600 -0.110 0.000 0.986 369 E CA -0.183 56.163 56.400 -0.090 0.000 1.119 369 E CB 1.158 30.798 29.700 -0.100 0.000 1.046 369 E HN 0.191 nan 8.360 nan 0.000 0.474 370 V N 0.808 120.644 119.914 -0.129 0.000 2.453 370 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 370 V C 2.080 177.986 176.094 -0.313 0.000 1.048 370 V CA 1.449 63.648 62.300 -0.168 0.000 1.049 370 V CB -0.226 31.520 31.823 -0.128 0.000 0.672 370 V HN 0.368 nan 8.190 nan 0.000 0.457 371 I N -0.462 119.870 120.570 -0.397 0.000 2.235 371 I HA -0.185 3.985 4.170 -0.000 0.000 0.241 371 I C 2.423 178.385 176.117 -0.259 0.000 1.085 371 I CA 1.357 62.290 61.300 -0.612 0.000 1.378 371 I CB -0.347 37.367 38.000 -0.477 0.000 1.076 371 I HN 0.274 nan 8.210 nan 0.000 0.415 372 L N 1.154 122.309 121.223 -0.113 0.000 2.013 372 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 372 L C 2.800 179.661 176.870 -0.015 0.000 1.073 372 L CA 1.812 56.644 54.840 -0.013 0.000 0.753 372 L CB -0.266 41.791 42.059 -0.002 0.000 0.890 372 L HN 0.144 nan 8.230 nan 0.000 0.432 373 R N -1.272 119.183 120.500 -0.076 0.000 2.148 373 R HA -0.084 4.256 4.340 -0.000 0.000 0.223 373 R C 2.120 178.358 176.300 -0.103 0.000 1.088 373 R CA 1.569 57.630 56.100 -0.066 0.000 0.985 373 R CB -0.381 29.879 30.300 -0.066 0.000 0.880 373 R HN 0.406 nan 8.270 nan 0.000 0.451 374 T N -0.219 114.208 114.554 -0.212 0.000 2.746 374 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 374 T C 1.191 175.692 174.700 -0.332 0.000 1.039 374 T CA 1.283 63.217 62.100 -0.278 0.000 1.142 374 T CB -0.173 68.465 68.868 -0.383 0.000 0.866 374 T HN 0.437 nan 8.240 nan 0.000 0.444 375 W N 1.461 122.751 121.300 -0.018 0.000 2.436 375 W HA 0.016 4.676 4.660 -0.000 0.000 0.284 375 W C 2.651 179.124 176.519 -0.076 0.000 1.225 375 W CA 0.008 57.314 57.345 -0.065 0.000 1.271 375 W CB -0.234 29.205 29.460 -0.035 0.000 1.114 375 W HN 0.281 nan 8.180 nan 0.000 0.559 376 Q N 0.113 119.993 119.800 0.132 0.000 2.124 376 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 376 Q C 2.119 178.174 176.000 0.092 0.000 0.977 376 Q CA 1.709 57.577 55.803 0.109 0.000 0.850 376 Q CB -0.503 28.274 28.738 0.066 0.000 0.901 376 Q HN 0.209 nan 8.270 nan 0.000 0.429 377 V N 0.911 120.833 119.914 0.013 0.000 2.270 377 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 377 V C 2.320 178.350 176.094 -0.107 0.000 1.043 377 V CA 1.824 64.126 62.300 0.004 0.000 1.014 377 V CB -1.098 30.761 31.823 0.060 0.000 0.645 377 V HN 0.397 nan 8.190 nan 0.000 0.447 378 A N -0.120 122.443 122.820 -0.429 0.000 1.917 378 A HA -0.357 3.963 4.320 -0.000 0.000 0.219 378 A C 2.117 179.605 177.584 -0.161 0.000 1.182 378 A CA 2.704 54.334 52.037 -0.679 0.000 0.633 378 A CB -0.937 17.566 19.000 -0.828 0.000 0.819 378 A HN 0.819 nan 8.150 nan 0.000 0.448 379 H N -0.504 118.514 119.070 -0.086 0.000 2.267 379 H HA -0.094 4.461 4.556 -0.000 0.000 0.297 379 H C 2.231 177.554 175.328 -0.007 0.000 1.080 379 H CA 2.100 58.136 56.048 -0.021 0.000 1.278 379 H CB -0.107 29.657 29.762 0.004 0.000 1.365 379 H HN 0.249 nan 8.280 nan 0.000 0.489 380 R N -0.277 120.132 120.500 -0.152 0.000 2.105 380 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 380 R C 2.274 178.506 176.300 -0.114 0.000 1.135 380 R CA 1.403 57.401 56.100 -0.170 0.000 0.967 380 R CB -0.400 29.901 30.300 0.000 0.000 0.861 380 R HN 0.474 nan 8.270 nan 0.000 0.442 381 M N 0.365 119.934 119.600 -0.051 0.000 2.200 381 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 381 M C 2.110 178.403 176.300 -0.011 0.000 1.066 381 M CA 1.199 56.503 55.300 0.007 0.000 1.127 381 M CB -0.687 31.966 32.600 0.090 0.000 1.379 381 M HN 0.065 nan 8.290 nan 0.000 0.420 382 K N 0.430 120.803 120.400 -0.044 0.000 2.025 382 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 382 K C 1.833 178.401 176.600 -0.053 0.000 1.049 382 K CA 1.230 57.505 56.287 -0.021 0.000 0.933 382 K CB 0.062 32.559 32.500 -0.005 0.000 0.714 382 K HN 0.094 nan 8.250 nan 0.000 0.438 383 V N 1.631 121.457 119.914 -0.146 0.000 2.332 383 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 383 V C 2.274 178.328 176.094 -0.068 0.000 1.055 383 V CA 1.965 64.180 62.300 -0.140 0.000 1.038 383 V CB -0.421 31.235 31.823 -0.279 0.000 0.651 383 V HN 0.444 nan 8.190 nan 0.000 0.450 384 Q N -0.760 119.008 119.800 -0.053 0.000 2.204 384 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 384 Q C 2.180 178.182 176.000 0.003 0.000 0.946 384 Q CA 0.754 56.547 55.803 -0.017 0.000 0.859 384 Q CB 0.084 28.820 28.738 -0.003 0.000 0.946 384 Q HN 0.587 nan 8.270 nan 0.000 0.474 385 R N -0.184 120.323 120.500 0.012 0.000 2.365 385 R HA 0.280 4.620 4.340 -0.000 0.000 0.223 385 R C 0.762 177.080 176.300 0.030 0.000 0.899 385 R CA 0.477 56.593 56.100 0.026 0.000 1.059 385 R CB 1.011 31.336 30.300 0.043 0.000 1.086 385 R HN 0.194 nan 8.270 nan 0.000 0.522 386 G N 1.762 110.577 108.800 0.024 0.000 2.598 386 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 386 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 386 G C -0.187 174.744 174.900 0.052 0.000 1.302 386 G CA -0.364 44.755 45.100 0.031 0.000 0.903 386 G HN 0.457 nan 8.290 nan 0.000 0.575 387 A N -0.469 122.383 122.820 0.052 0.000 2.498 387 A HA 0.554 4.874 4.320 -0.000 0.000 0.239 387 A C 0.961 178.595 177.584 0.084 0.000 1.068 387 A CA 0.407 52.486 52.037 0.070 0.000 0.766 387 A CB -0.017 19.014 19.000 0.053 0.000 1.003 387 A HN 1.176 nan 8.150 nan 0.000 0.497 388 L N 1.515 122.812 121.223 0.123 0.000 2.453 388 L HA 0.277 4.617 4.340 -0.000 0.000 0.261 388 L C 1.780 178.697 176.870 0.077 0.000 1.179 388 L CA -0.044 54.877 54.840 0.135 0.000 0.813 388 L CB 0.877 43.084 42.059 0.248 0.000 1.110 388 L HN 0.888 nan 8.230 nan 0.000 0.466 389 A N 1.155 124.003 122.820 0.047 0.000 2.125 389 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 389 A C 1.657 179.204 177.584 -0.062 0.000 1.156 389 A CA 1.284 53.321 52.037 -0.001 0.000 0.671 389 A CB -0.379 18.619 19.000 -0.003 0.000 0.794 389 A HN 0.857 nan 8.150 nan 0.000 0.459 390 E N 0.277 120.405 120.200 -0.120 0.000 2.479 390 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 390 E C 0.162 176.608 176.600 -0.258 0.000 1.049 390 E CA -0.122 56.060 56.400 -0.363 0.000 0.870 390 E CB 0.211 29.302 29.700 -1.016 0.000 0.944 390 E HN 0.448 nan 8.360 nan 0.000 0.492 391 E N 0.636 120.815 120.200 -0.035 0.000 2.404 391 E HA 0.137 4.487 4.350 -0.000 0.000 0.261 391 E C -0.271 176.335 176.600 0.010 0.000 1.074 391 E CA 0.399 56.830 56.400 0.050 0.000 0.917 391 E CB 1.362 31.120 29.700 0.095 0.000 0.965 391 E HN -0.107 nan 8.360 nan 0.000 0.433 392 T N 0.385 114.959 114.554 0.033 0.000 2.912 392 T HA 0.570 4.920 4.350 -0.000 0.000 0.299 392 T C -0.377 174.341 174.700 0.030 0.000 1.052 392 T CA 0.387 62.499 62.100 0.019 0.000 0.996 392 T CB 1.163 70.039 68.868 0.014 0.000 1.070 392 T HN 0.717 nan 8.240 nan 0.000 0.465 393 G N 2.892 111.703 108.800 0.017 0.000 2.860 393 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.553 393 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.553 393 G C -0.419 174.486 174.900 0.009 0.000 1.439 393 G CA -0.334 44.773 45.100 0.013 0.000 0.879 393 G HN 0.748 nan 8.290 nan 0.000 0.545 394 D N 1.869 122.264 120.400 -0.008 0.000 2.741 394 D HA 0.210 4.850 4.640 -0.000 0.000 0.233 394 D C 0.724 177.010 176.300 -0.023 0.000 1.160 394 D CA 0.430 54.415 54.000 -0.026 0.000 1.003 394 D CB -0.839 39.925 40.800 -0.060 0.000 1.064 394 D HN 0.625 nan 8.370 nan 0.000 0.503 395 N N -0.818 117.895 118.700 0.021 0.000 2.934 395 N HA 0.179 4.919 4.740 -0.000 0.000 0.253 395 N C -0.697 174.865 175.510 0.087 0.000 1.466 395 N CA -0.681 52.404 53.050 0.058 0.000 0.858 395 N CB 1.303 39.827 38.487 0.062 0.000 1.459 395 N HN -0.205 nan 8.380 nan 0.000 0.532 396 D N -0.203 120.263 120.400 0.110 0.000 2.427 396 D HA 0.099 4.739 4.640 -0.000 0.000 0.224 396 D C 0.298 176.654 176.300 0.094 0.000 1.157 396 D CA -0.132 53.934 54.000 0.111 0.000 0.828 396 D CB -0.016 40.852 40.800 0.114 0.000 0.974 396 D HN 0.383 nan 8.370 nan 0.000 0.498 397 N N 0.754 119.505 118.700 0.086 0.000 2.060 397 N HA -0.209 4.531 4.740 -0.000 0.000 0.195 397 N C 1.406 176.957 175.510 0.070 0.000 1.028 397 N CA 0.861 53.950 53.050 0.065 0.000 0.861 397 N CB -0.445 38.085 38.487 0.072 0.000 1.029 397 N HN 0.242 nan 8.380 nan 0.000 0.428 398 F N 1.620 121.579 119.950 0.015 0.000 2.146 398 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 398 F C 2.454 178.269 175.800 0.026 0.000 1.096 398 F CA 1.173 59.161 58.000 -0.020 0.000 1.275 398 F CB -0.223 38.764 39.000 -0.022 0.000 1.008 398 F HN -0.064 nan 8.300 nan 0.000 0.480 399 R N -0.100 120.410 120.500 0.016 0.000 2.120 399 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 399 R C 1.878 178.268 176.300 0.151 0.000 1.123 399 R CA 1.685 57.835 56.100 0.084 0.000 0.975 399 R CB -0.456 29.960 30.300 0.193 0.000 0.866 399 R HN 0.301 nan 8.270 nan 0.000 0.446 400 V N 1.097 121.077 119.914 0.111 0.000 2.453 400 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 400 V C 2.047 178.258 176.094 0.195 0.000 1.048 400 V CA 1.855 64.309 62.300 0.256 0.000 1.049 400 V CB -0.323 31.543 31.823 0.072 0.000 0.672 400 V HN 0.348 nan 8.190 nan 0.000 0.457 401 K N 0.138 120.495 120.400 -0.072 0.000 2.097 401 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 401 K C 2.353 178.869 176.600 -0.140 0.000 1.050 401 K CA 1.395 57.611 56.287 -0.118 0.000 0.938 401 K CB -0.247 32.088 32.500 -0.275 0.000 0.718 401 K HN 0.341 nan 8.250 nan 0.000 0.442 402 R N 0.195 120.447 120.500 -0.413 0.000 2.081 402 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 402 R C 1.647 177.862 176.300 -0.142 0.000 1.131 402 R CA 1.566 57.488 56.100 -0.297 0.000 0.960 402 R CB -0.227 29.800 30.300 -0.455 0.000 0.856 402 R HN 0.203 nan 8.270 nan 0.000 0.436 403 Y N 0.097 120.323 120.300 -0.123 0.000 2.395 403 Y HA -0.000 4.550 4.550 -0.000 0.000 0.293 403 Y C 2.090 177.806 175.900 -0.306 0.000 1.123 403 Y CA 0.916 58.885 58.100 -0.218 0.000 1.227 403 Y CB 0.054 38.293 38.460 -0.368 0.000 1.012 403 Y HN 0.101 nan 8.280 nan 0.000 0.552 404 I N -0.619 119.960 120.570 0.016 0.000 2.546 404 I HA -0.198 3.972 4.170 -0.000 0.000 0.255 404 I C 2.224 178.157 176.117 -0.306 0.000 1.163 404 I CA 0.976 62.215 61.300 -0.102 0.000 1.457 404 I CB -0.070 38.087 38.000 0.261 0.000 1.092 404 I HN 0.181 nan 8.210 nan 0.000 0.434 405 A N 0.542 123.311 122.820 -0.086 0.000 2.067 405 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 405 A C 2.159 179.682 177.584 -0.101 0.000 1.158 405 A CA 1.160 53.164 52.037 -0.055 0.000 0.661 405 A CB -0.387 18.637 19.000 0.039 0.000 0.801 405 A HN 0.385 nan 8.150 nan 0.000 0.452 406 K N -1.264 119.073 120.400 -0.106 0.000 2.147 406 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 406 K C 1.135 177.774 176.600 0.066 0.000 1.049 406 K CA 1.739 58.020 56.287 -0.010 0.000 0.936 406 K CB -0.236 32.276 32.500 0.020 0.000 0.722 406 K HN 0.914 nan 8.250 nan 0.000 0.446 407 Y N -1.554 118.756 120.300 0.016 0.000 2.612 407 Y HA 0.275 4.825 4.550 -0.000 0.000 0.250 407 Y C 1.152 177.100 175.900 0.081 0.000 1.175 407 Y CA -0.228 57.896 58.100 0.039 0.000 1.205 407 Y CB -0.214 38.257 38.460 0.018 0.000 1.201 407 Y HN -0.082 nan 8.280 nan 0.000 0.532 408 T N -2.534 111.950 114.554 -0.117 0.000 3.330 408 T HA 0.122 4.472 4.350 -0.000 0.000 0.185 408 T C 1.332 176.052 174.700 0.034 0.000 0.874 408 T CA 0.594 62.684 62.100 -0.017 0.000 1.268 408 T CB -0.756 68.074 68.868 -0.064 0.000 1.866 408 T HN 0.098 nan 8.240 nan 0.000 0.395 409 I N 3.003 123.591 120.570 0.030 0.000 2.252 409 I HA -0.038 4.132 4.170 -0.000 0.000 0.245 409 I C 1.944 178.040 176.117 -0.035 0.000 1.102 409 I CA 1.371 62.678 61.300 0.012 0.000 1.385 409 I CB -0.822 37.150 38.000 -0.048 0.000 1.064 409 I HN 0.251 nan 8.210 nan 0.000 0.414 410 N N 0.727 119.394 118.700 -0.054 0.000 2.149 410 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 410 N C -0.815 174.671 175.510 -0.039 0.000 1.019 410 N CA 1.708 54.722 53.050 -0.060 0.000 0.857 410 N CB -1.797 36.653 38.487 -0.061 0.000 0.997 410 N HN 0.343 nan 8.380 nan 0.000 0.426 411 P HA 0.044 nan 4.420 nan 0.000 0.221 411 P C 0.968 178.294 177.300 0.043 0.000 1.150 411 P CA 1.080 64.202 63.100 0.037 0.000 0.800 411 P CB 0.040 31.786 31.700 0.077 0.000 0.787 412 A N -0.724 122.109 122.820 0.022 0.000 1.929 412 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 412 A C 2.111 179.699 177.584 0.006 0.000 1.176 412 A CA 1.248 53.291 52.037 0.010 0.000 0.628 412 A CB -1.531 17.483 19.000 0.024 0.000 0.816 412 A HN 0.098 nan 8.150 nan 0.000 0.444 413 L N -0.886 120.330 121.223 -0.012 0.000 2.027 413 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 413 L C 2.756 179.594 176.870 -0.053 0.000 1.074 413 L CA 1.719 56.544 54.840 -0.026 0.000 0.745 413 L CB -0.968 41.061 42.059 -0.051 0.000 0.898 413 L HN 0.298 nan 8.230 nan 0.000 0.433 414 T N -1.877 112.624 114.554 -0.088 0.000 2.778 414 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 414 T C 1.456 175.991 174.700 -0.275 0.000 1.050 414 T CA 1.318 63.307 62.100 -0.186 0.000 1.137 414 T CB -0.271 68.450 68.868 -0.246 0.000 0.860 414 T HN 0.359 nan 8.240 nan 0.000 0.468 415 H N -0.675 118.357 119.070 -0.063 0.000 2.594 415 H HA 0.350 4.906 4.556 -0.000 0.000 0.279 415 H C 1.635 176.929 175.328 -0.056 0.000 1.042 415 H CA 0.389 56.405 56.048 -0.053 0.000 1.177 415 H CB 0.317 30.045 29.762 -0.057 0.000 1.524 415 H HN 0.487 nan 8.280 nan 0.000 0.537 416 G N 2.402 111.217 108.800 0.025 0.000 2.221 416 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.265 416 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.265 416 G C 0.869 175.851 174.900 0.137 0.000 1.041 416 G CA 0.692 45.832 45.100 0.066 0.000 0.807 416 G HN 0.622 nan 8.290 nan 0.000 0.502 417 I N -4.043 116.543 120.570 0.026 0.000 4.147 417 I HA 0.655 4.825 4.170 -0.000 0.000 0.329 417 I C 1.809 177.888 176.117 -0.064 0.000 1.424 417 I CA 0.444 61.676 61.300 -0.113 0.000 1.127 417 I CB 0.205 37.856 38.000 -0.582 0.000 1.128 417 I HN 0.135 nan 8.210 nan 0.000 0.417 418 A N 2.060 124.918 122.820 0.063 0.000 2.125 418 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 418 A C 2.037 179.685 177.584 0.106 0.000 1.156 418 A CA 1.992 54.072 52.037 0.071 0.000 0.671 418 A CB -1.314 17.728 19.000 0.070 0.000 0.794 418 A HN 0.866 nan 8.150 nan 0.000 0.459 419 H N -2.908 116.204 119.070 0.070 0.000 2.529 419 H HA 0.206 4.762 4.556 -0.000 0.000 0.277 419 H C 1.485 176.876 175.328 0.104 0.000 0.999 419 H CA 0.987 57.081 56.048 0.077 0.000 1.256 419 H CB 0.183 29.985 29.762 0.067 0.000 1.402 419 H HN 0.400 nan 8.280 nan 0.000 0.566 420 E N 0.896 120.939 120.200 -0.261 0.000 2.290 420 E HA 0.140 4.490 4.350 -0.000 0.000 0.199 420 E C 0.780 177.404 176.600 0.040 0.000 0.912 420 E CA 0.881 57.218 56.400 -0.105 0.000 0.924 420 E CB 1.233 30.874 29.700 -0.098 0.000 0.901 420 E HN 0.402 nan 8.360 nan 0.000 0.487 421 V N -4.823 115.128 119.914 0.061 0.000 3.069 421 V HA 0.844 4.964 4.120 -0.000 0.000 0.312 421 V C 0.896 177.053 176.094 0.105 0.000 1.369 421 V CA -0.199 62.167 62.300 0.110 0.000 1.047 421 V CB 1.116 33.035 31.823 0.159 0.000 1.098 421 V HN 0.250 nan 8.190 nan 0.000 0.473 422 G N -0.057 108.818 108.800 0.125 0.000 2.284 422 G HA2 0.039 3.999 3.960 -0.000 0.000 0.216 422 G HA3 0.039 3.999 3.960 -0.000 0.000 0.216 422 G C 0.312 175.318 174.900 0.176 0.000 1.009 422 G CA 0.682 45.859 45.100 0.128 0.000 0.625 422 G HN 2.445 nan 8.290 nan 0.000 0.501 423 S N -1.129 114.695 115.700 0.207 0.000 2.636 423 S HA 0.690 5.160 4.470 -0.000 0.000 0.268 423 S C -0.772 173.982 174.600 0.256 0.000 1.159 423 S CA -0.663 57.698 58.200 0.268 0.000 0.815 423 S CB 1.366 64.811 63.200 0.408 0.000 1.130 423 S HN 0.764 nan 8.310 nan 0.000 0.471 424 I N 1.542 122.305 120.570 0.321 0.000 2.241 424 I HA 0.396 4.566 4.170 -0.000 0.000 0.294 424 I C -0.116 176.195 176.117 0.324 0.000 1.145 424 I CA 0.232 61.724 61.300 0.321 0.000 1.261 424 I CB -0.061 38.148 38.000 0.348 0.000 1.475 424 I HN 0.573 nan 8.210 nan 0.000 0.533 425 E N 4.046 124.347 120.200 0.168 0.000 2.340 425 E HA 0.343 4.693 4.350 -0.000 0.000 0.273 425 E C -0.714 175.899 176.600 0.023 0.000 0.891 425 E CA -1.013 55.406 56.400 0.032 0.000 0.757 425 E CB 3.142 32.856 29.700 0.023 0.000 1.231 425 E HN 0.295 nan 8.360 nan 0.000 0.439 426 V N 0.173 120.063 119.914 -0.040 0.000 2.788 426 V HA 0.365 4.485 4.120 -0.000 0.000 0.307 426 V C 1.058 177.149 176.094 -0.005 0.000 1.069 426 V CA 1.071 63.348 62.300 -0.038 0.000 1.173 426 V CB 0.184 31.935 31.823 -0.121 0.000 0.925 426 V HN 1.028 nan 8.190 nan 0.000 0.492 427 G N 2.780 111.592 108.800 0.021 0.000 2.253 427 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.251 427 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.251 427 G C 0.335 175.273 174.900 0.063 0.000 0.998 427 G CA 0.438 45.563 45.100 0.042 0.000 0.621 427 G HN 0.918 nan 8.290 nan 0.000 0.524 428 K N -0.002 120.440 120.400 0.070 0.000 2.126 428 K HA 0.562 4.882 4.320 -0.000 0.000 0.257 428 K C 0.312 176.964 176.600 0.086 0.000 1.007 428 K CA -0.911 55.425 56.287 0.082 0.000 0.928 428 K CB 1.357 33.916 32.500 0.099 0.000 1.013 428 K HN 0.140 nan 8.250 nan 0.000 0.473 429 L N 1.827 123.099 121.223 0.082 0.000 2.525 429 L HA -0.015 4.325 4.340 -0.000 0.000 0.278 429 L C -0.092 176.835 176.870 0.095 0.000 1.218 429 L CA 0.727 55.615 54.840 0.079 0.000 0.878 429 L CB 0.449 42.551 42.059 0.071 0.000 1.127 429 L HN 0.735 nan 8.230 nan 0.000 0.492 430 A N 3.995 126.870 122.820 0.092 0.000 3.026 430 A HA 0.190 4.510 4.320 -0.000 0.000 0.272 430 A C -0.412 177.227 177.584 0.092 0.000 1.782 430 A CA -0.355 51.741 52.037 0.097 0.000 1.451 430 A CB -1.076 17.979 19.000 0.091 0.000 1.081 430 A HN 0.678 nan 8.150 nan 0.000 0.611 431 D N 1.787 122.249 120.400 0.103 0.000 2.473 431 D HA 0.509 5.149 4.640 -0.000 0.000 0.226 431 D C -0.340 176.025 176.300 0.109 0.000 1.089 431 D CA 0.380 54.441 54.000 0.102 0.000 0.883 431 D CB 0.840 41.710 40.800 0.118 0.000 1.029 431 D HN 0.415 nan 8.370 nan 0.000 0.517 432 L N 0.895 122.169 121.223 0.085 0.000 2.341 432 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 432 L C -0.440 176.443 176.870 0.021 0.000 1.009 432 L CA -1.226 53.664 54.840 0.083 0.000 0.819 432 L CB 2.353 44.463 42.059 0.085 0.000 1.323 432 L HN -0.115 nan 8.230 nan 0.000 0.425 433 V N 2.022 121.938 119.914 0.003 0.000 2.531 433 V HA 0.443 4.563 4.120 -0.000 0.000 0.301 433 V C -0.330 175.600 176.094 -0.274 0.000 1.034 433 V CA -0.680 61.485 62.300 -0.225 0.000 0.865 433 V CB 2.198 33.815 31.823 -0.344 0.000 0.995 433 V HN 0.412 nan 8.190 nan 0.000 0.424 434 V N 3.832 123.542 119.914 -0.340 0.000 2.435 434 V HA 0.563 4.683 4.120 -0.000 0.000 0.290 434 V C -0.902 175.057 176.094 -0.226 0.000 1.030 434 V CA -0.484 61.731 62.300 -0.143 0.000 0.881 434 V CB 1.484 33.282 31.823 -0.041 0.000 0.983 434 V HN 0.924 nan 8.190 nan 0.000 0.445 435 W N 1.679 123.050 121.300 0.118 0.000 2.864 435 W HA 0.649 5.308 4.660 -0.000 0.000 0.343 435 W C 0.167 176.774 176.519 0.146 0.000 1.109 435 W CA -0.688 56.737 57.345 0.133 0.000 1.192 435 W CB 1.731 31.305 29.460 0.190 0.000 1.426 435 W HN 0.422 nan 8.180 nan 0.000 0.529 436 S N 1.780 117.731 115.700 0.418 0.000 2.525 436 S HA 0.292 4.762 4.470 -0.000 0.000 0.278 436 S C -1.517 173.285 174.600 0.337 0.000 1.234 436 S CA -1.323 57.068 58.200 0.317 0.000 1.058 436 S CB 1.026 64.416 63.200 0.316 0.000 0.983 436 S HN 0.198 nan 8.310 nan 0.000 0.495 437 P HA -0.089 nan 4.420 nan 0.000 0.218 437 P C 0.967 178.292 177.300 0.041 0.000 1.146 437 P CA 1.228 64.377 63.100 0.081 0.000 0.813 437 P CB 0.096 31.791 31.700 -0.008 0.000 0.778 438 A N -2.301 120.573 122.820 0.090 0.000 2.119 438 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 438 A C 1.153 178.562 177.584 -0.292 0.000 1.153 438 A CA 1.078 53.057 52.037 -0.096 0.000 0.692 438 A CB -1.122 17.808 19.000 -0.117 0.000 0.799 438 A HN 0.167 nan 8.150 nan 0.000 0.458 439 F N -2.324 117.687 119.950 0.102 0.000 2.735 439 F HA 0.334 4.861 4.527 -0.000 0.000 0.308 439 F C 0.208 175.980 175.800 -0.046 0.000 1.112 439 F CA -1.377 56.631 58.000 0.014 0.000 1.235 439 F CB -0.048 39.024 39.000 0.119 0.000 1.027 439 F HN 0.152 nan 8.300 nan 0.000 0.528 440 F N 1.392 121.263 119.950 -0.133 0.000 2.608 440 F HA 0.367 4.894 4.527 -0.000 0.000 0.380 440 F C 1.401 176.773 175.800 -0.714 0.000 1.083 440 F CA 1.166 58.857 58.000 -0.514 0.000 1.266 440 F CB 0.544 39.185 39.000 -0.598 0.000 1.076 440 F HN 0.337 nan 8.300 nan 0.000 0.574 441 G N 3.334 110.883 108.800 -2.085 0.000 2.245 441 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.264 441 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.264 441 G C 0.565 175.211 174.900 -0.422 0.000 0.985 441 G CA 0.544 44.895 45.100 -1.249 0.000 0.625 441 G HN 0.778 nan 8.290 nan 0.000 0.536 442 V N -0.770 119.001 119.914 -0.238 0.000 2.743 442 V HA 0.383 4.503 4.120 -0.000 0.000 0.237 442 V C 0.961 177.157 176.094 0.170 0.000 1.113 442 V CA 1.803 64.072 62.300 -0.052 0.000 1.141 442 V CB 0.329 31.904 31.823 -0.414 0.000 0.873 442 V HN 0.308 nan 8.190 nan 0.000 0.486 443 K N 1.054 121.635 120.400 0.303 0.000 2.601 443 K HA 0.454 4.774 4.320 -0.000 0.000 0.249 443 K C -2.994 173.817 176.600 0.351 0.000 0.966 443 K CA -1.592 54.871 56.287 0.293 0.000 0.827 443 K CB 2.727 35.374 32.500 0.244 0.000 1.178 443 K HN 0.115 nan 8.250 nan 0.000 0.437 444 P HA 0.092 nan 4.420 nan 0.000 0.274 444 P C -0.044 177.237 177.300 -0.033 0.000 1.231 444 P CA -0.187 62.791 63.100 -0.203 0.000 0.790 444 P CB 1.112 32.462 31.700 -0.582 0.000 0.951 445 A N 1.771 124.525 122.820 -0.110 0.000 1.903 445 A HA 0.128 4.448 4.320 -0.000 0.000 0.213 445 A C 0.545 178.061 177.584 -0.114 0.000 1.185 445 A CA 1.535 53.514 52.037 -0.098 0.000 0.628 445 A CB -0.538 18.436 19.000 -0.042 0.000 0.830 445 A HN 0.569 nan 8.150 nan 0.000 0.446 446 T N -1.122 113.349 114.554 -0.138 0.000 2.956 446 T HA 0.529 4.879 4.350 -0.000 0.000 0.312 446 T C -1.350 173.266 174.700 -0.140 0.000 1.151 446 T CA -0.399 61.639 62.100 -0.103 0.000 1.024 446 T CB 2.041 70.866 68.868 -0.072 0.000 1.140 446 T HN 0.040 nan 8.240 nan 0.000 0.473 447 V N 3.431 123.298 119.914 -0.078 0.000 2.409 447 V HA 0.474 4.594 4.120 -0.000 0.000 0.290 447 V C -0.456 175.624 176.094 -0.023 0.000 1.017 447 V CA -0.739 61.513 62.300 -0.080 0.000 0.841 447 V CB 1.180 32.964 31.823 -0.065 0.000 1.003 447 V HN 0.777 nan 8.190 nan 0.000 0.426 448 I N 4.726 125.288 120.570 -0.012 0.000 2.331 448 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 448 I C 0.166 176.307 176.117 0.040 0.000 0.998 448 I CA -0.433 60.878 61.300 0.019 0.000 1.267 448 I CB 1.217 39.232 38.000 0.025 0.000 1.386 448 I HN 0.388 nan 8.210 nan 0.000 0.476 449 K N 4.187 124.616 120.400 0.048 0.000 2.413 449 K HA 0.335 4.655 4.320 -0.000 0.000 0.257 449 K C 0.481 177.121 176.600 0.066 0.000 0.946 449 K CA -0.340 55.983 56.287 0.060 0.000 0.823 449 K CB 1.896 34.431 32.500 0.058 0.000 1.109 449 K HN 0.910 nan 8.250 nan 0.000 0.427 450 G N 1.987 110.829 108.800 0.070 0.000 2.296 450 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.282 450 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.282 450 G C 0.717 175.666 174.900 0.081 0.000 1.014 450 G CA 1.082 46.226 45.100 0.073 0.000 0.812 450 G HN 1.102 nan 8.290 nan 0.000 0.508 451 G N -2.271 106.571 108.800 0.070 0.000 2.176 451 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.232 451 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.232 451 G C 0.178 175.104 174.900 0.045 0.000 0.986 451 G CA 0.719 45.855 45.100 0.059 0.000 0.643 451 G HN 1.044 nan 8.290 nan 0.000 0.522 452 M N 0.451 120.081 119.600 0.051 0.000 2.530 452 M HA 0.535 5.015 4.480 -0.000 0.000 0.307 452 M C 0.106 176.436 176.300 0.050 0.000 1.161 452 M CA -0.893 54.436 55.300 0.048 0.000 0.903 452 M CB 2.320 34.955 32.600 0.059 0.000 1.711 452 M HN 0.046 nan 8.290 nan 0.000 0.451 453 I N 1.864 122.464 120.570 0.051 0.000 2.517 453 I HA 0.052 4.222 4.170 -0.000 0.000 0.285 453 I C 0.924 177.068 176.117 0.046 0.000 1.106 453 I CA 0.081 61.406 61.300 0.040 0.000 1.402 453 I CB 0.998 39.019 38.000 0.035 0.000 1.399 453 I HN 0.885 nan 8.210 nan 0.000 0.535 454 A N 7.164 130.003 122.820 0.031 0.000 1.973 454 A HA 0.362 4.682 4.320 -0.000 0.000 0.210 454 A C 0.687 178.280 177.584 0.015 0.000 1.200 454 A CA 0.671 52.724 52.037 0.026 0.000 0.707 454 A CB 0.373 19.393 19.000 0.033 0.000 0.862 454 A HN 0.655 nan 8.150 nan 0.000 0.461 455 I N -1.975 118.610 120.570 0.026 0.000 2.841 455 I HA 0.617 4.787 4.170 -0.000 0.000 0.298 455 I C -1.307 174.851 176.117 0.067 0.000 1.304 455 I CA -0.455 60.878 61.300 0.055 0.000 1.019 455 I CB 2.213 40.271 38.000 0.096 0.000 1.282 455 I HN 0.255 nan 8.210 nan 0.000 0.432 456 A N 5.869 128.713 122.820 0.040 0.000 2.608 456 A HA 0.822 5.142 4.320 -0.000 0.000 0.292 456 A C -3.090 174.299 177.584 -0.325 0.000 1.066 456 A CA -1.245 50.743 52.037 -0.083 0.000 0.676 456 A CB 1.659 20.602 19.000 -0.096 0.000 1.277 456 A HN 0.314 nan 8.150 nan 0.000 0.413 457 P HA 0.513 nan 4.420 nan 0.000 0.276 457 P C -0.762 176.300 177.300 -0.397 0.000 1.235 457 P CA 0.091 62.741 63.100 -0.750 0.000 0.772 457 P CB 0.671 31.931 31.700 -0.733 0.000 0.871 458 M N 3.201 122.584 119.600 -0.361 0.000 2.386 458 M HA 0.634 5.114 4.480 -0.000 0.000 0.293 458 M C -0.126 176.006 176.300 -0.281 0.000 1.120 458 M CA -0.333 54.803 55.300 -0.273 0.000 0.909 458 M CB 1.724 34.182 32.600 -0.237 0.000 1.661 458 M HN 0.398 nan 8.290 nan 0.000 0.452 459 G N 1.047 109.732 108.800 -0.191 0.000 2.510 459 G HA2 0.248 4.208 3.960 -0.000 0.000 0.280 459 G HA3 0.248 4.208 3.960 -0.000 0.000 0.280 459 G C -0.889 173.936 174.900 -0.124 0.000 1.386 459 G CA -0.581 44.431 45.100 -0.147 0.000 1.047 459 G HN 0.738 nan 8.290 nan 0.000 0.527 460 D N -0.098 120.257 120.400 -0.075 0.000 2.662 460 D HA -0.106 4.534 4.640 -0.000 0.000 0.233 460 D C 1.742 178.011 176.300 -0.052 0.000 1.129 460 D CA -0.201 53.770 54.000 -0.048 0.000 0.851 460 D CB 0.331 41.115 40.800 -0.027 0.000 1.152 460 D HN 0.060 nan 8.370 nan 0.000 0.507 461 I N 3.548 124.089 120.570 -0.048 0.000 2.394 461 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 461 I C 1.781 177.883 176.117 -0.025 0.000 1.136 461 I CA 0.919 62.193 61.300 -0.042 0.000 1.425 461 I CB -1.053 36.924 38.000 -0.038 0.000 1.079 461 I HN 0.427 nan 8.210 nan 0.000 0.425 462 N N 1.100 119.789 118.700 -0.018 0.000 2.270 462 N HA 0.147 4.887 4.740 -0.000 0.000 0.198 462 N C 0.492 175.995 175.510 -0.011 0.000 1.117 462 N CA 0.033 53.077 53.050 -0.011 0.000 0.845 462 N CB 0.252 38.735 38.487 -0.006 0.000 0.980 462 N HN 0.248 nan 8.380 nan 0.000 0.486 463 A N -0.532 122.278 122.820 -0.017 0.000 2.346 463 A HA 0.309 4.629 4.320 -0.000 0.000 0.252 463 A C 1.277 178.853 177.584 -0.014 0.000 1.089 463 A CA 0.060 52.088 52.037 -0.016 0.000 0.797 463 A CB 0.149 19.136 19.000 -0.023 0.000 1.047 463 A HN 0.462 nan 8.150 nan 0.000 0.494 464 S N -0.421 115.272 115.700 -0.012 0.000 2.607 464 S HA 0.252 4.722 4.470 -0.000 0.000 0.224 464 S C 0.405 174.998 174.600 -0.010 0.000 0.969 464 S CA 0.785 58.979 58.200 -0.009 0.000 0.927 464 S CB -1.101 62.094 63.200 -0.008 0.000 0.772 464 S HN 0.868 nan 8.310 nan 0.000 0.533 465 I N -3.660 116.900 120.570 -0.016 0.000 2.918 465 I HA 0.417 4.587 4.170 -0.000 0.000 0.301 465 I C -2.697 173.403 176.117 -0.029 0.000 1.312 465 I CA -2.575 58.714 61.300 -0.018 0.000 1.007 465 I CB 1.777 39.767 38.000 -0.017 0.000 1.281 465 I HN -0.364 nan 8.210 nan 0.000 0.440 466 P HA -0.047 nan 4.420 nan 0.000 0.242 466 P C 0.957 178.215 177.300 -0.070 0.000 1.197 466 P CA 1.003 64.070 63.100 -0.054 0.000 0.765 466 P CB -0.040 31.629 31.700 -0.052 0.000 0.936 467 T N -4.918 109.602 114.554 -0.056 0.000 3.037 467 T HA 0.230 4.580 4.350 -0.000 0.000 0.251 467 T C -1.605 173.063 174.700 -0.053 0.000 1.079 467 T CA -0.498 61.566 62.100 -0.061 0.000 1.067 467 T CB -1.710 67.129 68.868 -0.049 0.000 0.948 467 T HN 0.121 nan 8.240 nan 0.000 0.496 468 P HA 0.229 nan 4.420 nan 0.000 0.272 468 P C 0.089 177.368 177.300 -0.035 0.000 1.223 468 P CA -0.294 62.787 63.100 -0.033 0.000 0.784 468 P CB 0.413 32.099 31.700 -0.025 0.000 0.923 469 Q N 2.158 121.946 119.800 -0.021 0.000 2.417 469 Q HA 0.233 4.573 4.340 -0.000 0.000 0.241 469 Q C -1.900 174.104 176.000 0.006 0.000 1.008 469 Q CA -1.274 54.524 55.803 -0.008 0.000 0.901 469 Q CB -0.481 28.258 28.738 0.001 0.000 1.259 469 Q HN 0.398 nan 8.270 nan 0.000 0.489 470 P HA 0.193 nan 4.420 nan 0.000 0.285 470 P C -0.806 176.526 177.300 0.052 0.000 1.259 470 P CA -0.273 62.871 63.100 0.074 0.000 0.794 470 P CB 0.846 32.631 31.700 0.141 0.000 0.940 471 V N 5.304 125.232 119.914 0.023 0.000 2.370 471 V HA 0.380 4.500 4.120 -0.000 0.000 0.279 471 V C 0.160 176.260 176.094 0.009 0.000 1.029 471 V CA -0.100 62.155 62.300 -0.075 0.000 0.870 471 V CB 0.310 32.064 31.823 -0.115 0.000 0.984 471 V HN 0.891 nan 8.190 nan 0.000 0.451 472 H N 2.093 121.098 119.070 -0.109 0.000 3.017 472 H HA 0.610 5.166 4.556 -0.000 0.000 0.346 472 H C -1.614 173.643 175.328 -0.118 0.000 1.286 472 H CA -1.111 54.902 56.048 -0.058 0.000 1.120 472 H CB 0.681 30.468 29.762 0.042 0.000 1.860 472 H HN 0.360 nan 8.280 nan 0.000 0.542 473 Y N 1.303 121.669 120.300 0.111 0.000 2.544 473 Y HA 0.284 4.834 4.550 -0.000 0.000 0.330 473 Y C 0.654 176.582 175.900 0.046 0.000 1.136 473 Y CA 0.270 58.389 58.100 0.032 0.000 1.417 473 Y CB 0.509 38.990 38.460 0.034 0.000 1.229 473 Y HN 0.385 nan 8.280 nan 0.000 0.532 474 R N 4.121 124.651 120.500 0.050 0.000 2.795 474 R HA 0.459 4.799 4.340 -0.000 0.000 0.275 474 R C -2.991 173.301 176.300 -0.013 0.000 0.981 474 R CA -2.362 53.743 56.100 0.009 0.000 0.917 474 R CB 1.483 31.723 30.300 -0.100 0.000 1.202 474 R HN 0.316 nan 8.270 nan 0.000 0.469 475 P HA 0.092 nan 4.420 nan 0.000 0.271 475 P C -0.434 176.779 177.300 -0.144 0.000 1.216 475 P CA 0.106 63.172 63.100 -0.057 0.000 0.776 475 P CB 0.651 32.319 31.700 -0.054 0.000 0.881 476 M N 1.665 121.182 119.600 -0.138 0.000 2.799 476 M HA 0.341 4.821 4.480 -0.000 0.000 0.274 476 M C 1.316 177.462 176.300 -0.256 0.000 1.137 476 M CA -0.635 54.522 55.300 -0.238 0.000 0.897 476 M CB -0.471 32.078 32.600 -0.085 0.000 1.567 476 M HN 0.213 nan 8.290 nan 0.000 0.536 477 F N 0.691 120.626 119.950 -0.026 0.000 2.216 477 F HA -0.042 4.485 4.527 -0.000 0.000 0.300 477 F C 2.289 178.072 175.800 -0.028 0.000 1.085 477 F CA 1.592 59.574 58.000 -0.030 0.000 1.326 477 F CB -1.189 37.790 39.000 -0.035 0.000 1.027 477 F HN 0.744 nan 8.300 nan 0.000 0.497 478 G N -0.601 108.280 108.800 0.135 0.000 2.535 478 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.218 478 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.218 478 G C 1.594 176.518 174.900 0.040 0.000 1.122 478 G CA 0.681 45.830 45.100 0.081 0.000 0.769 478 G HN 0.449 nan 8.290 nan 0.000 0.549 479 A N -0.394 122.432 122.820 0.011 0.000 2.348 479 A HA 0.584 4.904 4.320 -0.000 0.000 0.224 479 A C 0.739 178.301 177.584 -0.037 0.000 1.227 479 A CA -0.307 51.723 52.037 -0.012 0.000 0.885 479 A CB 0.110 19.099 19.000 -0.019 0.000 0.933 479 A HN 0.261 nan 8.150 nan 0.000 0.506 480 L N -0.566 120.637 121.223 -0.033 0.000 2.325 480 L HA 0.486 4.826 4.340 -0.000 0.000 0.279 480 L C 1.712 178.521 176.870 -0.103 0.000 1.054 480 L CA -0.211 54.598 54.840 -0.050 0.000 0.804 480 L CB 0.919 42.975 42.059 -0.006 0.000 1.200 480 L HN 0.488 nan 8.230 nan 0.000 0.436 481 G N 2.072 110.786 108.800 -0.143 0.000 2.808 481 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.470 481 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.470 481 G C 1.103 175.720 174.900 -0.471 0.000 1.041 481 G CA 1.044 45.998 45.100 -0.244 0.000 0.839 481 G HN 0.648 nan 8.290 nan 0.000 0.825 482 S N 0.782 116.326 115.700 -0.259 0.000 2.481 482 S HA 0.173 4.643 4.470 -0.000 0.000 0.231 482 S C 2.621 177.196 174.600 -0.042 0.000 0.996 482 S CA 1.533 59.646 58.200 -0.144 0.000 0.942 482 S CB -0.315 62.899 63.200 0.023 0.000 0.768 482 S HN 1.081 nan 8.310 nan 0.000 0.520 483 A N 1.921 124.712 122.820 -0.048 0.000 1.929 483 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 483 A C 2.075 179.686 177.584 0.045 0.000 1.176 483 A CA 1.002 53.047 52.037 0.015 0.000 0.628 483 A CB -0.429 18.586 19.000 0.024 0.000 0.816 483 A HN 0.392 nan 8.150 nan 0.000 0.444 484 R N -0.657 119.820 120.500 -0.038 0.000 2.073 484 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 484 R C 1.930 178.275 176.300 0.075 0.000 1.134 484 R CA 1.938 58.032 56.100 -0.011 0.000 0.952 484 R CB -0.569 29.684 30.300 -0.079 0.000 0.850 484 R HN 0.788 nan 8.270 nan 0.000 0.433 485 H N -2.088 117.009 119.070 0.045 0.000 2.387 485 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 485 H C 1.865 177.207 175.328 0.025 0.000 1.099 485 H CA 1.595 57.656 56.048 0.022 0.000 1.315 485 H CB -0.098 29.678 29.762 0.023 0.000 1.380 485 H HN 0.437 nan 8.280 nan 0.000 0.513 486 H N -0.948 118.191 119.070 0.114 0.000 2.547 486 H HA 0.037 4.593 4.556 -0.000 0.000 0.272 486 H C 1.082 176.430 175.328 0.033 0.000 0.989 486 H CA 0.760 56.841 56.048 0.056 0.000 1.214 486 H CB 0.299 30.084 29.762 0.039 0.000 1.389 486 H HN 0.294 nan 8.280 nan 0.000 0.577 487 C N 1.035 120.416 119.300 0.136 0.000 3.183 487 C HA 0.284 4.744 4.460 -0.000 0.000 0.285 487 C C 0.572 175.587 174.990 0.042 0.000 1.313 487 C CA -0.435 58.639 59.018 0.092 0.000 1.711 487 C CB -0.980 26.823 27.740 0.105 0.000 2.135 487 C HN 0.516 nan 8.230 nan 0.000 0.651 488 R N 0.272 120.784 120.500 0.019 0.000 2.854 488 R HA 0.839 5.179 4.340 -0.000 0.000 0.271 488 R C -1.513 174.731 176.300 -0.092 0.000 0.996 488 R CA -0.633 55.461 56.100 -0.010 0.000 0.961 488 R CB 0.971 31.285 30.300 0.024 0.000 1.182 488 R HN 0.097 nan 8.270 nan 0.000 0.479 489 L N 0.934 122.054 121.223 -0.171 0.000 2.362 489 L HA 0.461 4.801 4.340 -0.000 0.000 0.271 489 L C -0.610 176.015 176.870 -0.408 0.000 1.002 489 L CA -0.967 53.655 54.840 -0.364 0.000 0.818 489 L CB 2.658 44.323 42.059 -0.657 0.000 1.298 489 L HN 0.743 nan 8.230 nan 0.000 0.420 490 T N 2.395 116.740 114.554 -0.349 0.000 2.770 490 T HA 0.471 4.821 4.350 -0.000 0.000 0.297 490 T C -0.415 174.135 174.700 -0.250 0.000 0.997 490 T CA -0.279 61.695 62.100 -0.211 0.000 0.949 490 T CB 0.117 68.915 68.868 -0.117 0.000 0.941 490 T HN 0.077 nan 8.240 nan 0.000 0.457 491 F N 3.625 123.595 119.950 0.033 0.000 2.467 491 F HA 0.421 4.948 4.527 -0.000 0.000 0.362 491 F C 0.545 176.373 175.800 0.047 0.000 1.090 491 F CA -0.679 57.350 58.000 0.047 0.000 1.202 491 F CB 0.334 39.373 39.000 0.065 0.000 1.113 491 F HN 0.230 nan 8.300 nan 0.000 0.541 492 L N 2.035 123.379 121.223 0.201 0.000 2.286 492 L HA 0.557 4.897 4.340 -0.000 0.000 0.265 492 L C 0.114 177.067 176.870 0.138 0.000 1.012 492 L CA -1.072 53.846 54.840 0.131 0.000 0.818 492 L CB 2.117 44.216 42.059 0.068 0.000 1.337 492 L HN 0.622 nan 8.230 nan 0.000 0.438 493 S N -0.735 115.023 115.700 0.097 0.000 2.652 493 S HA 0.206 4.676 4.470 -0.000 0.000 0.270 493 S C 0.474 175.112 174.600 0.063 0.000 1.243 493 S CA -0.675 57.574 58.200 0.081 0.000 0.999 493 S CB 1.467 64.703 63.200 0.061 0.000 0.973 493 S HN 0.661 nan 8.310 nan 0.000 0.544 494 Q N 0.813 120.644 119.800 0.051 0.000 2.135 494 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 494 Q C 2.430 178.445 176.000 0.026 0.000 0.981 494 Q CA 1.578 57.403 55.803 0.036 0.000 0.856 494 Q CB -0.602 28.150 28.738 0.024 0.000 0.902 494 Q HN 0.908 nan 8.270 nan 0.000 0.425 495 A N 1.238 124.072 122.820 0.024 0.000 1.873 495 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 495 A C 2.348 179.942 177.584 0.017 0.000 1.186 495 A CA 1.546 53.593 52.037 0.017 0.000 0.616 495 A CB -0.918 18.091 19.000 0.015 0.000 0.823 495 A HN 0.394 nan 8.150 nan 0.000 0.442 496 A N -0.087 122.746 122.820 0.022 0.000 1.908 496 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 496 A C 2.511 180.104 177.584 0.014 0.000 1.181 496 A CA 2.301 54.349 52.037 0.018 0.000 0.627 496 A CB -1.060 17.955 19.000 0.026 0.000 0.818 496 A HN 1.089 nan 8.150 nan 0.000 0.445 497 A N -0.218 122.615 122.820 0.021 0.000 1.877 497 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 497 A C 2.505 180.094 177.584 0.009 0.000 1.186 497 A CA 2.180 54.226 52.037 0.016 0.000 0.620 497 A CB -1.018 17.998 19.000 0.027 0.000 0.822 497 A HN 1.107 nan 8.150 nan 0.000 0.443 498 A N 0.000 122.826 122.820 0.010 0.000 1.969 498 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 498 A C 1.710 179.295 177.584 0.003 0.000 1.169 498 A CA 1.536 53.576 52.037 0.006 0.000 0.635 498 A CB -0.522 18.481 19.000 0.006 0.000 0.810 498 A HN 0.527 nan 8.150 nan 0.000 0.445 499 N N -0.383 118.319 118.700 0.003 0.000 2.550 499 N HA 0.064 4.804 4.740 -0.000 0.000 0.186 499 N C 1.119 176.626 175.510 -0.004 0.000 1.110 499 N CA 1.072 54.122 53.050 0.000 0.000 0.912 499 N CB -0.088 38.399 38.487 0.001 0.000 0.968 499 N HN 0.664 nan 8.380 nan 0.000 0.448 500 G N 0.117 108.914 108.800 -0.005 0.000 2.182 500 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 500 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 500 G C 0.955 175.845 174.900 -0.016 0.000 1.042 500 G CA 0.371 45.465 45.100 -0.010 0.000 0.775 500 G HN 0.207 nan 8.290 nan 0.000 0.501 501 V N -0.073 119.833 119.914 -0.015 0.000 2.469 501 V HA -0.140 3.980 4.120 -0.000 0.000 0.251 501 V C 3.150 179.224 176.094 -0.034 0.000 1.064 501 V CA 3.100 65.387 62.300 -0.021 0.000 1.066 501 V CB -0.773 31.041 31.823 -0.015 0.000 0.667 501 V HN 1.002 nan 8.190 nan 0.000 0.461 502 A N -0.263 122.536 122.820 -0.034 0.000 1.930 502 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 502 A C 2.105 179.659 177.584 -0.050 0.000 1.175 502 A CA 1.713 53.721 52.037 -0.048 0.000 0.627 502 A CB -0.340 18.631 19.000 -0.048 0.000 0.815 502 A HN 0.548 nan 8.150 nan 0.000 0.443 503 E N -0.614 119.563 120.200 -0.038 0.000 2.112 503 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 503 E C 2.124 178.703 176.600 -0.036 0.000 0.979 503 E CA 0.970 57.349 56.400 -0.035 0.000 0.814 503 E CB -0.221 29.464 29.700 -0.026 0.000 0.762 503 E HN 0.611 nan 8.360 nan 0.000 0.460 504 R N 0.280 120.759 120.500 -0.035 0.000 2.073 504 R HA 0.040 4.380 4.340 -0.000 0.000 0.229 504 R C 1.699 177.971 176.300 -0.047 0.000 1.120 504 R CA 0.844 56.923 56.100 -0.035 0.000 0.967 504 R CB -0.060 30.223 30.300 -0.029 0.000 0.862 504 R HN 0.194 nan 8.270 nan 0.000 0.436 505 L N 0.649 121.837 121.223 -0.058 0.000 2.554 505 L HA 0.039 4.379 4.340 -0.000 0.000 0.226 505 L C 0.459 177.281 176.870 -0.080 0.000 1.137 505 L CA 0.141 54.935 54.840 -0.077 0.000 0.863 505 L CB -0.344 41.662 42.059 -0.088 0.000 0.985 505 L HN 0.414 nan 8.230 nan 0.000 0.451 506 N N 1.401 120.060 118.700 -0.069 0.000 2.727 506 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 506 N C -0.549 174.902 175.510 -0.098 0.000 1.040 506 N CA -0.096 52.911 53.050 -0.072 0.000 0.712 506 N CB -0.384 38.067 38.487 -0.060 0.000 0.912 506 N HN 0.040 nan 8.380 nan 0.000 0.545 507 L N 1.495 122.654 121.223 -0.108 0.000 2.380 507 L HA 0.144 4.484 4.340 -0.000 0.000 0.273 507 L C 1.764 178.526 176.870 -0.180 0.000 1.138 507 L CA 0.543 55.296 54.840 -0.145 0.000 0.832 507 L CB 1.103 43.088 42.059 -0.124 0.000 1.124 507 L HN 0.164 nan 8.230 nan 0.000 0.454 508 R N 0.255 120.575 120.500 -0.300 0.000 2.280 508 R HA 0.197 4.536 4.340 -0.000 0.000 0.195 508 R C 0.505 176.608 176.300 -0.328 0.000 0.935 508 R CA 0.128 56.001 56.100 -0.379 0.000 1.033 508 R CB 0.088 29.983 30.300 -0.676 0.000 0.964 508 R HN 0.619 nan 8.270 nan 0.000 0.489 509 S N 0.027 115.559 115.700 -0.281 0.000 2.655 509 S HA 0.592 5.062 4.470 -0.000 0.000 0.265 509 S C 0.095 174.618 174.600 -0.129 0.000 1.240 509 S CA -0.555 57.561 58.200 -0.140 0.000 0.986 509 S CB 1.241 64.378 63.200 -0.104 0.000 0.985 509 S HN 0.351 nan 8.310 nan 0.000 0.562 510 A N 1.091 123.831 122.820 -0.133 0.000 2.386 510 A HA 0.521 4.841 4.320 -0.000 0.000 0.248 510 A C -0.281 177.203 177.584 -0.167 0.000 1.082 510 A CA -0.200 51.743 52.037 -0.156 0.000 0.789 510 A CB -0.139 18.750 19.000 -0.185 0.000 1.025 510 A HN 0.571 nan 8.150 nan 0.000 0.490 511 I N 0.441 120.927 120.570 -0.141 0.000 2.530 511 I HA 0.640 4.810 4.170 -0.000 0.000 0.297 511 I C 0.404 176.449 176.117 -0.121 0.000 1.011 511 I CA -0.270 60.950 61.300 -0.133 0.000 1.107 511 I CB 1.224 39.180 38.000 -0.074 0.000 1.285 511 I HN 0.750 nan 8.210 nan 0.000 0.436 512 A N 5.640 128.376 122.820 -0.139 0.000 2.449 512 A HA 0.792 5.112 4.320 -0.000 0.000 0.302 512 A C -1.174 176.517 177.584 0.178 0.000 1.048 512 A CA -0.519 51.511 52.037 -0.012 0.000 0.708 512 A CB 1.761 20.660 19.000 -0.168 0.000 1.274 512 A HN 0.366 nan 8.150 nan 0.000 0.410 513 V N 2.265 122.343 119.914 0.273 0.000 2.483 513 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 513 V C 0.361 176.675 176.094 0.367 0.000 1.035 513 V CA -0.485 61.972 62.300 0.262 0.000 0.896 513 V CB 1.620 33.531 31.823 0.146 0.000 0.986 513 V HN 1.055 nan 8.190 nan 0.000 0.447 514 V N 3.058 123.142 119.914 0.284 0.000 2.732 514 V HA 0.780 4.900 4.120 -0.000 0.000 0.297 514 V C -0.354 175.806 176.094 0.111 0.000 1.060 514 V CA -0.463 61.982 62.300 0.242 0.000 1.038 514 V CB 0.966 32.881 31.823 0.153 0.000 1.003 514 V HN 1.055 nan 8.190 nan 0.000 0.481 515 K N 2.184 122.617 120.400 0.054 0.000 2.578 515 K HA 0.686 5.006 4.320 -0.000 0.000 0.269 515 K C 0.068 176.648 176.600 -0.032 0.000 0.941 515 K CA -0.529 55.739 56.287 -0.032 0.000 0.847 515 K CB 1.494 33.920 32.500 -0.123 0.000 1.397 515 K HN 1.967 nan 8.250 nan 0.000 0.422 516 G N 0.924 109.704 108.800 -0.034 0.000 2.171 516 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.238 516 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.238 516 G C 0.498 175.377 174.900 -0.034 0.000 1.039 516 G CA 0.084 45.164 45.100 -0.033 0.000 0.759 516 G HN 0.669 nan 8.290 nan 0.000 0.501 517 C N -0.295 118.983 119.300 -0.036 0.000 2.495 517 C HA 0.162 4.621 4.460 -0.000 0.000 0.275 517 C C 2.503 177.452 174.990 -0.068 0.000 1.392 517 C CA 0.941 59.922 59.018 -0.062 0.000 1.766 517 C CB -0.442 27.262 27.740 -0.061 0.000 1.933 517 C HN 0.597 nan 8.230 nan 0.000 0.519 518 R N 1.185 121.656 120.500 -0.049 0.000 2.223 518 R HA 0.007 4.347 4.340 -0.000 0.000 0.198 518 R C 1.927 178.201 176.300 -0.042 0.000 0.984 518 R CA 1.498 57.570 56.100 -0.046 0.000 1.018 518 R CB -1.241 29.038 30.300 -0.035 0.000 0.945 518 R HN 0.699 nan 8.270 nan 0.000 0.479 519 T N -1.104 113.426 114.554 -0.040 0.000 3.065 519 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 519 T C 1.195 175.871 174.700 -0.039 0.000 1.099 519 T CA -0.134 61.945 62.100 -0.036 0.000 1.063 519 T CB -0.378 68.472 68.868 -0.030 0.000 0.948 519 T HN -0.016 nan 8.240 nan 0.000 0.506 520 V N 1.386 121.271 119.914 -0.050 0.000 2.924 520 V HA 0.562 4.682 4.120 -0.000 0.000 0.305 520 V C -0.340 175.721 176.094 -0.056 0.000 1.073 520 V CA -1.004 61.263 62.300 -0.055 0.000 1.098 520 V CB 0.604 32.383 31.823 -0.073 0.000 1.000 520 V HN 0.742 nan 8.190 nan 0.000 0.484 521 Q N 1.271 121.040 119.800 -0.051 0.000 2.626 521 Q HA 0.499 4.839 4.340 -0.000 0.000 0.300 521 Q C 0.341 176.314 176.000 -0.046 0.000 0.988 521 Q CA -1.044 54.732 55.803 -0.044 0.000 0.761 521 Q CB 1.562 30.282 28.738 -0.030 0.000 1.494 521 Q HN 0.384 nan 8.270 nan 0.000 0.439 522 K N 0.809 121.187 120.400 -0.037 0.000 2.127 522 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 522 K C 1.704 178.287 176.600 -0.029 0.000 1.047 522 K CA 2.467 58.734 56.287 -0.034 0.000 0.927 522 K CB -0.795 31.694 32.500 -0.018 0.000 0.716 522 K HN 0.659 nan 8.250 nan 0.000 0.450 523 A N 0.294 123.100 122.820 -0.023 0.000 2.172 523 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 523 A C 1.278 178.844 177.584 -0.029 0.000 1.154 523 A CA 1.667 53.693 52.037 -0.019 0.000 0.701 523 A CB -0.301 18.691 19.000 -0.013 0.000 0.789 523 A HN 0.371 nan 8.150 nan 0.000 0.465 524 D N -0.551 119.824 120.400 -0.041 0.000 2.305 524 D HA 0.033 4.673 4.640 -0.000 0.000 0.206 524 D C 0.466 176.722 176.300 -0.075 0.000 0.974 524 D CA 0.295 54.263 54.000 -0.054 0.000 0.871 524 D CB -0.148 40.620 40.800 -0.053 0.000 0.947 524 D HN 0.272 nan 8.370 nan 0.000 0.516 525 M N 2.029 121.587 119.600 -0.070 0.000 2.513 525 M HA 0.026 4.506 4.480 -0.000 0.000 0.341 525 M C -0.023 176.220 176.300 -0.095 0.000 1.689 525 M CA -0.021 55.230 55.300 -0.082 0.000 1.202 525 M CB 0.038 32.599 32.600 -0.065 0.000 1.996 525 M HN -0.307 nan 8.290 nan 0.000 0.458 526 V N 6.472 126.287 119.914 -0.165 0.000 2.539 526 V HA -0.139 3.981 4.120 -0.000 0.000 0.300 526 V C 1.343 177.332 176.094 -0.176 0.000 1.019 526 V CA 0.547 62.675 62.300 -0.286 0.000 1.160 526 V CB -0.872 30.672 31.823 -0.465 0.000 0.901 526 V HN 0.905 nan 8.190 nan 0.000 0.481 527 H N 2.294 121.388 119.070 0.039 0.000 3.612 527 H HA -0.172 4.384 4.556 -0.000 0.000 0.212 527 H C 0.699 176.058 175.328 0.051 0.000 1.041 527 H CA 1.558 57.660 56.048 0.090 0.000 1.205 527 H CB -1.136 28.622 29.762 -0.007 0.000 1.159 527 H HN 0.850 nan 8.280 nan 0.000 0.323 528 N N 0.433 119.189 118.700 0.093 0.000 2.765 528 N HA 0.165 4.905 4.740 -0.000 0.000 0.277 528 N C 0.173 175.697 175.510 0.023 0.000 1.750 528 N CA 0.645 53.721 53.050 0.044 0.000 0.827 528 N CB 1.022 39.509 38.487 0.000 0.000 1.200 528 N HN 0.298 nan 8.380 nan 0.000 0.494 529 S N -0.559 115.165 115.700 0.041 0.000 2.663 529 S HA 0.150 4.620 4.470 -0.000 0.000 0.243 529 S C 0.303 174.918 174.600 0.025 0.000 1.009 529 S CA -0.443 57.770 58.200 0.021 0.000 0.988 529 S CB 0.185 63.397 63.200 0.020 0.000 0.896 529 S HN 0.243 nan 8.310 nan 0.000 0.502 530 L N 2.680 123.924 121.223 0.036 0.000 2.410 530 L HA 0.354 4.694 4.340 -0.000 0.000 0.273 530 L C -0.177 176.708 176.870 0.025 0.000 1.152 530 L CA 0.832 55.692 54.840 0.033 0.000 0.855 530 L CB 0.549 42.633 42.059 0.042 0.000 1.129 530 L HN 0.309 nan 8.230 nan 0.000 0.463 531 Q N 7.123 126.931 119.800 0.014 0.000 2.508 531 Q HA 0.409 4.749 4.340 -0.000 0.000 0.247 531 Q C -2.266 173.734 176.000 -0.001 0.000 1.047 531 Q CA -1.707 54.098 55.803 0.003 0.000 0.783 531 Q CB 1.277 30.006 28.738 -0.015 0.000 1.172 531 Q HN 0.537 nan 8.270 nan 0.000 0.515 532 P HA 0.122 nan 4.420 nan 0.000 0.282 532 P C -0.727 176.571 177.300 -0.004 0.000 1.259 532 P CA -0.628 62.477 63.100 0.009 0.000 0.826 532 P CB 0.981 32.697 31.700 0.025 0.000 1.064 533 N N 1.904 120.599 118.700 -0.008 0.000 2.663 533 N HA 0.163 4.903 4.740 -0.000 0.000 0.250 533 N C -0.597 174.913 175.510 -0.000 0.000 1.129 533 N CA -0.204 52.836 53.050 -0.016 0.000 0.995 533 N CB -0.975 37.501 38.487 -0.017 0.000 1.324 533 N HN 0.403 nan 8.380 nan 0.000 0.512 534 I N 2.277 122.853 120.570 0.010 0.000 2.392 534 I HA 0.445 4.615 4.170 -0.000 0.000 0.295 534 I C -0.361 175.772 176.117 0.027 0.000 0.985 534 I CA -0.353 60.962 61.300 0.025 0.000 1.221 534 I CB 1.129 39.158 38.000 0.049 0.000 1.366 534 I HN 0.457 nan 8.210 nan 0.000 0.467 535 T N 3.970 118.538 114.554 0.024 0.000 2.916 535 T HA 0.724 5.074 4.350 -0.000 0.000 0.292 535 T C -0.838 173.879 174.700 0.028 0.000 1.055 535 T CA -0.737 61.376 62.100 0.023 0.000 1.009 535 T CB 1.962 70.838 68.868 0.012 0.000 1.118 535 T HN 0.282 nan 8.240 nan 0.000 0.497 536 V N 1.419 121.352 119.914 0.031 0.000 2.577 536 V HA 0.391 4.511 4.120 -0.000 0.000 0.303 536 V C -0.583 175.541 176.094 0.050 0.000 1.042 536 V CA -0.938 61.389 62.300 0.045 0.000 0.872 536 V CB 1.834 33.686 31.823 0.049 0.000 0.998 536 V HN 1.063 nan 8.190 nan 0.000 0.423 537 D N 3.420 123.857 120.400 0.063 0.000 2.339 537 D HA 0.256 4.896 4.640 -0.000 0.000 0.256 537 D C 1.184 177.549 176.300 0.108 0.000 1.214 537 D CA 0.463 54.495 54.000 0.053 0.000 0.877 537 D CB 2.060 42.875 40.800 0.026 0.000 1.111 537 D HN 0.699 nan 8.370 nan 0.000 0.478 538 A N 4.343 127.205 122.820 0.071 0.000 1.997 538 A HA -0.290 4.030 4.320 -0.000 0.000 0.221 538 A C 1.864 179.534 177.584 0.145 0.000 1.172 538 A CA 1.776 53.876 52.037 0.105 0.000 0.645 538 A CB -0.107 18.896 19.000 0.005 0.000 0.813 538 A HN 0.703 nan 8.150 nan 0.000 0.454 539 Q N -1.490 118.304 119.800 -0.010 0.000 2.141 539 Q HA -0.003 4.337 4.340 -0.000 0.000 0.194 539 Q C 2.236 177.955 176.000 -0.468 0.000 0.975 539 Q CA 1.413 57.107 55.803 -0.182 0.000 0.834 539 Q CB -0.479 28.186 28.738 -0.122 0.000 0.916 539 Q HN 0.718 nan 8.270 nan 0.000 0.484 540 T N -2.171 112.229 114.554 -0.257 0.000 3.051 540 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 540 T C -0.075 174.530 174.700 -0.159 0.000 1.127 540 T CA 0.525 62.477 62.100 -0.246 0.000 1.107 540 T CB -0.213 68.595 68.868 -0.100 0.000 0.898 540 T HN 0.315 nan 8.240 nan 0.000 0.517 541 Y N 0.457 120.749 120.300 -0.014 0.000 4.753 541 Y HA -0.194 4.356 4.550 -0.000 0.000 0.232 541 Y C 0.327 176.213 175.900 -0.023 0.000 1.029 541 Y CA -0.174 57.916 58.100 -0.016 0.000 1.996 541 Y CB -2.925 35.524 38.460 -0.019 0.000 1.602 541 Y HN 0.543 nan 8.280 nan 0.000 0.621 542 E N 0.105 120.368 120.200 0.106 0.000 2.392 542 E HA 0.372 4.722 4.350 -0.000 0.000 0.264 542 E C -0.020 176.606 176.600 0.043 0.000 1.024 542 E CA -0.190 56.240 56.400 0.051 0.000 0.903 542 E CB 1.182 30.894 29.700 0.021 0.000 0.963 542 E HN 0.011 nan 8.360 nan 0.000 0.432 543 V N 4.311 124.237 119.914 0.021 0.000 2.394 543 V HA 0.355 4.475 4.120 -0.000 0.000 0.282 543 V C 0.059 176.158 176.094 0.007 0.000 1.031 543 V CA -0.460 61.848 62.300 0.013 0.000 0.881 543 V CB 1.146 32.966 31.823 -0.005 0.000 0.982 543 V HN 0.594 nan 8.190 nan 0.000 0.451 544 R N 3.107 123.613 120.500 0.011 0.000 2.621 544 R HA 0.754 5.093 4.340 -0.000 0.000 0.292 544 R C -1.650 174.656 176.300 0.009 0.000 0.969 544 R CA -0.708 55.397 56.100 0.008 0.000 0.887 544 R CB 2.602 32.907 30.300 0.007 0.000 1.180 544 R HN 0.494 nan 8.270 nan 0.000 0.450 545 V N 3.426 123.344 119.914 0.006 0.000 2.378 545 V HA 0.156 4.276 4.120 -0.000 0.000 0.288 545 V C -0.282 175.814 176.094 0.004 0.000 1.016 545 V CA -0.485 61.819 62.300 0.007 0.000 0.840 545 V CB 1.458 33.285 31.823 0.007 0.000 0.994 545 V HN 0.863 nan 8.190 nan 0.000 0.431 546 D N 4.377 124.778 120.400 0.002 0.000 2.870 546 D HA -0.202 4.438 4.640 -0.000 0.000 0.228 546 D C 1.382 177.682 176.300 0.000 0.000 1.147 546 D CA 1.841 55.841 54.000 -0.000 0.000 0.757 546 D CB -1.091 39.710 40.800 0.001 0.000 1.091 546 D HN 1.332 nan 8.370 nan 0.000 0.429 547 G N -0.040 108.761 108.800 0.001 0.000 2.347 547 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.247 547 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.247 547 G C 0.189 175.089 174.900 0.002 0.000 1.037 547 G CA 0.845 45.946 45.100 0.001 0.000 0.622 547 G HN 0.742 nan 8.290 nan 0.000 0.521 548 E N 1.256 121.457 120.200 0.002 0.000 2.373 548 E HA 0.501 4.851 4.350 -0.000 0.000 0.267 548 E C 0.035 176.638 176.600 0.003 0.000 1.032 548 E CA -0.877 55.525 56.400 0.003 0.000 0.889 548 E CB 1.362 31.065 29.700 0.004 0.000 0.984 548 E HN 0.397 nan 8.360 nan 0.000 0.425 549 L N 4.030 125.255 121.223 0.004 0.000 2.380 549 L HA 0.221 4.561 4.340 -0.000 0.000 0.273 549 L C -0.741 176.131 176.870 0.002 0.000 1.138 549 L CA -0.267 54.575 54.840 0.003 0.000 0.832 549 L CB 0.731 42.792 42.059 0.004 0.000 1.124 549 L HN 0.568 nan 8.230 nan 0.000 0.454 550 I N 4.710 125.278 120.570 -0.003 0.000 2.354 550 I HA 0.552 4.722 4.170 -0.000 0.000 0.292 550 I C 0.261 176.370 176.117 -0.014 0.000 0.989 550 I CA -0.098 61.197 61.300 -0.009 0.000 1.188 550 I CB 0.957 38.946 38.000 -0.019 0.000 1.342 550 I HN 0.695 nan 8.210 nan 0.000 0.457 551 T N 3.936 118.487 114.554 -0.006 0.000 2.722 551 T HA 0.608 4.958 4.350 -0.000 0.000 0.314 551 T C -1.357 173.362 174.700 0.031 0.000 1.675 551 T CA -0.376 61.724 62.100 -0.001 0.000 1.003 551 T CB 1.283 70.156 68.868 0.009 0.000 1.602 551 T HN 0.811 nan 8.240 nan 0.000 0.496 552 S N 1.135 116.878 115.700 0.071 0.000 2.588 552 S HA 0.750 5.220 4.470 -0.000 0.000 0.269 552 S C -1.700 173.032 174.600 0.220 0.000 1.157 552 S CA -1.029 57.241 58.200 0.117 0.000 0.824 552 S CB 1.932 65.199 63.200 0.111 0.000 1.126 552 S HN 0.655 nan 8.310 nan 0.000 0.464 553 E N 1.761 122.048 120.200 0.145 0.000 2.242 553 E HA 0.460 4.810 4.350 -0.000 0.000 0.275 553 E C -2.560 173.982 176.600 -0.096 0.000 1.002 553 E CA -2.249 54.199 56.400 0.080 0.000 0.841 553 E CB 1.163 30.872 29.700 0.014 0.000 1.109 553 E HN 0.487 nan 8.360 nan 0.000 0.394 554 P HA 0.102 nan 4.420 nan 0.000 0.276 554 P C -0.839 176.265 177.300 -0.326 0.000 1.243 554 P CA -0.154 62.467 63.100 -0.798 0.000 0.768 554 P CB 0.714 31.807 31.700 -1.012 0.000 0.856 555 A N 3.683 126.370 122.820 -0.221 0.000 2.388 555 A HA 0.196 4.516 4.320 -0.000 0.000 0.257 555 A C 1.266 178.799 177.584 -0.086 0.000 1.095 555 A CA -0.372 51.607 52.037 -0.096 0.000 0.791 555 A CB 0.092 19.075 19.000 -0.028 0.000 1.029 555 A HN 0.654 nan 8.150 nan 0.000 0.489 556 D N 0.813 121.184 120.400 -0.050 0.000 2.338 556 D HA 0.087 4.727 4.640 -0.000 0.000 0.208 556 D C 0.098 176.390 176.300 -0.013 0.000 0.997 556 D CA 0.584 54.562 54.000 -0.036 0.000 0.880 556 D CB 0.013 40.795 40.800 -0.030 0.000 0.980 556 D HN 0.207 nan 8.370 nan 0.000 0.509 557 V N 0.836 120.753 119.914 0.004 0.000 2.888 557 V HA 0.449 4.569 4.120 -0.000 0.000 0.309 557 V C -0.556 175.562 176.094 0.039 0.000 1.114 557 V CA -0.890 61.420 62.300 0.018 0.000 0.940 557 V CB 2.590 34.423 31.823 0.017 0.000 1.021 557 V HN 0.041 nan 8.190 nan 0.000 0.426 558 L N 3.675 124.919 121.223 0.034 0.000 2.327 558 L HA 0.703 5.043 4.340 -0.000 0.000 0.258 558 L C -2.536 174.331 176.870 -0.005 0.000 1.024 558 L CA -1.765 53.096 54.840 0.035 0.000 0.825 558 L CB 2.764 44.851 42.059 0.046 0.000 1.386 558 L HN 0.459 nan 8.230 nan 0.000 0.417 559 P HA 0.425 nan 4.420 nan 0.000 0.284 559 P C -0.515 176.809 177.300 0.039 0.000 1.292 559 P CA -0.664 62.392 63.100 -0.074 0.000 0.800 559 P CB 0.471 32.009 31.700 -0.270 0.000 1.188 560 M N -2.416 117.266 119.600 0.138 0.000 2.302 560 M HA -0.264 4.216 4.480 -0.000 0.000 0.200 560 M C 0.179 176.648 176.300 0.281 0.000 0.366 560 M CA 0.754 56.116 55.300 0.103 0.000 0.440 560 M CB -2.178 30.394 32.600 -0.046 0.000 1.475 560 M HN 0.509 nan 8.290 nan 0.000 0.905 561 A N -0.363 122.670 122.820 0.355 0.000 2.597 561 A HA 0.314 4.634 4.320 -0.000 0.000 0.191 561 A C 0.959 178.758 177.584 0.357 0.000 1.336 561 A CA 0.161 52.394 52.037 0.327 0.000 1.516 561 A CB 0.065 19.154 19.000 0.150 0.000 1.849 561 A HN 0.444 nan 8.150 nan 0.000 0.640 562 Q N -0.176 119.732 119.800 0.181 0.000 2.443 562 Q HA -0.151 4.189 4.340 -0.000 0.000 0.213 562 Q C 1.871 177.889 176.000 0.031 0.000 0.982 562 Q CA 1.457 57.329 55.803 0.115 0.000 0.894 562 Q CB -0.123 28.644 28.738 0.049 0.000 0.947 562 Q HN 0.529 nan 8.270 nan 0.000 0.480 563 R N -0.610 119.860 120.500 -0.049 0.000 2.240 563 R HA -0.078 4.262 4.340 -0.000 0.000 0.203 563 R C 0.708 176.724 176.300 -0.473 0.000 1.011 563 R CA 0.799 56.705 56.100 -0.322 0.000 1.007 563 R CB 0.337 30.313 30.300 -0.540 0.000 0.911 563 R HN 0.271 nan 8.270 nan 0.000 0.468 564 Y N -1.907 118.330 120.300 -0.104 0.000 2.483 564 Y HA 0.268 4.818 4.550 -0.000 0.000 0.258 564 Y C -0.109 175.521 175.900 -0.450 0.000 1.083 564 Y CA -0.498 57.433 58.100 -0.281 0.000 1.283 564 Y CB 0.532 38.727 38.460 -0.442 0.000 1.178 564 Y HN -0.167 nan 8.280 nan 0.000 0.515 565 F N -0.168 119.886 119.950 0.173 0.000 2.422 565 F HA 0.296 4.823 4.527 -0.000 0.000 0.333 565 F C 0.772 176.583 175.800 0.018 0.000 1.095 565 F CA -0.951 57.119 58.000 0.116 0.000 1.038 565 F CB 1.414 40.486 39.000 0.119 0.000 1.156 565 F HN -0.225 nan 8.300 nan 0.000 0.483 566 L N 1.610 122.935 121.223 0.170 0.000 2.240 566 L HA 0.238 4.578 4.340 -0.000 0.000 0.211 566 L C -0.556 176.060 176.870 -0.423 0.000 1.106 566 L CA 1.617 56.378 54.840 -0.132 0.000 0.793 566 L CB -0.328 41.661 42.059 -0.116 0.000 0.927 566 L HN 0.428 nan 8.230 nan 0.000 0.446 567 F N 0.000 120.043 119.950 0.156 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.051 58.000 0.084 0.000 1.383 567 F CB 0.000 39.031 39.000 0.052 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574