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 1g8m_1_B DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEXLG GRVKTLHPAV HAGILARNIP EDNADXNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEXAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGXNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCXVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRX SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQXDPNYE PDDNEIRTLY GLQLXQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSXKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAXF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.303 176.300 0.005 0.000 0.893 4 R CA 0.000 56.105 56.100 0.008 0.000 0.921 4 R CB 0.000 30.310 30.300 0.017 0.000 0.687 5 Q N 2.120 121.920 119.800 0.000 0.000 2.333 5 Q HA -0.007 4.333 4.340 -0.001 0.000 0.299 5 Q C -0.759 175.236 176.000 -0.008 0.000 1.067 5 Q CA 0.644 56.443 55.803 -0.008 0.000 0.943 5 Q CB 0.787 29.517 28.738 -0.012 0.000 1.233 5 Q HN 0.557 nan 8.270 nan 0.000 0.401 6 Q N 2.600 122.390 119.800 -0.016 0.000 2.193 6 Q HA 0.518 4.858 4.340 -0.001 0.000 0.246 6 Q C -0.636 175.344 176.000 -0.033 0.000 0.959 6 Q CA -0.601 55.191 55.803 -0.019 0.000 0.904 6 Q CB 1.267 29.994 28.738 -0.018 0.000 1.238 6 Q HN 0.592 nan 8.270 nan 0.000 0.469 7 L N 0.078 121.278 121.223 -0.039 0.000 2.313 7 L HA 0.833 5.172 4.340 -0.001 0.000 0.268 7 L C -0.622 176.208 176.870 -0.066 0.000 1.010 7 L CA -1.119 53.689 54.840 -0.054 0.000 0.814 7 L CB 1.615 43.641 42.059 -0.055 0.000 1.304 7 L HN 0.598 nan 8.230 nan 0.000 0.441 8 A N 1.915 124.686 122.820 -0.081 0.000 2.357 8 A HA 0.650 4.970 4.320 -0.001 0.000 0.295 8 A C -1.324 176.209 177.584 -0.085 0.000 1.121 8 A CA -0.362 51.618 52.037 -0.094 0.000 0.742 8 A CB 1.215 20.131 19.000 -0.140 0.000 1.181 8 A HN 0.483 nan 8.150 nan 0.000 0.454 9 L N 3.529 124.708 121.223 -0.073 0.000 2.264 9 L HA 0.753 5.093 4.340 -0.001 0.000 0.289 9 L C -1.312 175.528 176.870 -0.049 0.000 1.044 9 L CA -0.303 54.496 54.840 -0.068 0.000 0.807 9 L CB 0.847 42.857 42.059 -0.082 0.000 1.192 9 L HN 0.550 nan 8.230 nan 0.000 0.425 10 L N 4.456 125.654 121.223 -0.042 0.000 2.362 10 L HA 0.727 5.067 4.340 -0.001 0.000 0.275 10 L C -0.150 176.717 176.870 -0.006 0.000 0.998 10 L CA -0.181 54.649 54.840 -0.016 0.000 0.820 10 L CB 1.965 44.010 42.059 -0.022 0.000 1.270 10 L HN 0.604 nan 8.230 nan 0.000 0.415 11 S N 2.386 118.094 115.700 0.013 0.000 2.446 11 S HA 0.646 5.116 4.470 -0.001 0.000 0.230 11 S C -1.171 173.452 174.600 0.039 0.000 1.051 11 S CA -0.548 57.663 58.200 0.017 0.000 1.113 11 S CB 0.615 63.817 63.200 0.003 0.000 1.184 11 S HN 0.535 nan 8.310 nan 0.000 0.435 12 V N 2.386 122.333 119.914 0.055 0.000 2.735 12 V HA 0.796 4.915 4.120 -0.001 0.000 0.310 12 V C 0.996 177.136 176.094 0.076 0.000 1.061 12 V CA -0.179 62.167 62.300 0.077 0.000 0.913 12 V CB 1.381 33.272 31.823 0.114 0.000 1.005 12 V HN 0.623 nan 8.190 nan 0.000 0.428 13 S N 1.713 117.470 115.700 0.094 0.000 2.356 13 S HA 0.011 4.481 4.470 -0.001 0.000 0.219 13 S C 0.961 175.632 174.600 0.118 0.000 1.036 13 S CA 1.153 59.423 58.200 0.117 0.000 0.965 13 S CB -0.205 63.111 63.200 0.192 0.000 0.864 13 S HN 0.997 nan 8.310 nan 0.000 0.471 14 E N 1.675 121.941 120.200 0.111 0.000 2.052 14 E HA 0.251 4.601 4.350 -0.001 0.000 0.283 14 E C -0.197 176.453 176.600 0.082 0.000 1.071 14 E CA 0.096 56.546 56.400 0.083 0.000 0.851 14 E CB 0.737 30.464 29.700 0.045 0.000 1.066 14 E HN 0.338 nan 8.360 nan 0.000 0.396 15 K N 2.878 123.328 120.400 0.083 0.000 2.437 15 K HA 0.297 4.617 4.320 -0.001 0.000 0.198 15 K C 0.122 176.790 176.600 0.113 0.000 1.024 15 K CA -0.018 56.331 56.287 0.103 0.000 1.148 15 K CB 0.537 33.084 32.500 0.078 0.000 0.860 15 K HN 0.464 nan 8.250 nan 0.000 0.515 16 A N 0.838 123.706 122.820 0.079 0.000 2.520 16 A HA 0.372 4.692 4.320 -0.001 0.000 0.245 16 A C 1.332 178.996 177.584 0.133 0.000 1.072 16 A CA 0.742 52.816 52.037 0.063 0.000 0.761 16 A CB -0.409 18.590 19.000 -0.001 0.000 1.004 16 A HN 0.555 nan 8.150 nan 0.000 0.499 17 G N 1.256 110.151 108.800 0.158 0.000 2.189 17 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.267 17 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.267 17 G C 0.817 175.936 174.900 0.365 0.000 0.975 17 G CA 0.861 46.125 45.100 0.272 0.000 0.644 17 G HN 1.491 nan 8.290 nan 0.000 0.537 18 L N 0.834 122.231 121.223 0.290 0.000 1.970 18 L HA 0.010 4.349 4.340 -0.001 0.000 0.212 18 L C 2.910 179.830 176.870 0.084 0.000 1.071 18 L CA 2.904 57.852 54.840 0.180 0.000 0.751 18 L CB -0.946 41.196 42.059 0.139 0.000 0.889 18 L HN 0.271 nan 8.230 nan 0.000 0.432 19 V N 0.076 120.034 119.914 0.073 0.000 2.252 19 V HA -0.321 3.799 4.120 -0.001 0.000 0.249 19 V C 2.730 178.844 176.094 0.034 0.000 1.056 19 V CA 2.102 64.424 62.300 0.036 0.000 1.022 19 V CB -0.832 31.012 31.823 0.035 0.000 0.641 19 V HN 0.499 nan 8.190 nan 0.000 0.445 20 E N -0.645 119.599 120.200 0.073 0.000 2.118 20 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 20 E C 1.937 178.594 176.600 0.095 0.000 0.992 20 E CA 1.298 57.745 56.400 0.079 0.000 0.804 20 E CB -0.475 29.288 29.700 0.105 0.000 0.741 20 E HN 0.622 nan 8.360 nan 0.000 0.458 21 F N 1.186 121.070 119.950 -0.110 0.000 2.163 21 F HA -0.014 4.513 4.527 -0.001 0.000 0.297 21 F C 2.165 177.845 175.800 -0.200 0.000 1.094 21 F CA 1.087 58.948 58.000 -0.232 0.000 1.290 21 F CB -0.561 38.042 39.000 -0.661 0.000 1.017 21 F HN -0.019 nan 8.300 nan 0.000 0.483 22 A N 0.373 123.066 122.820 -0.211 0.000 1.933 22 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 22 A C 2.438 179.899 177.584 -0.206 0.000 1.175 22 A CA 1.616 53.497 52.037 -0.260 0.000 0.628 22 A CB -0.822 18.098 19.000 -0.133 0.000 0.814 22 A HN 0.415 nan 8.150 nan 0.000 0.444 23 R N -0.154 120.273 120.500 -0.122 0.000 2.081 23 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 23 R C 2.296 178.531 176.300 -0.109 0.000 1.131 23 R CA 1.754 57.802 56.100 -0.087 0.000 0.960 23 R CB -0.250 30.026 30.300 -0.039 0.000 0.856 23 R HN 0.517 nan 8.270 nan 0.000 0.436 24 S N 0.837 116.459 115.700 -0.129 0.000 2.402 24 S HA -0.083 4.386 4.470 -0.001 0.000 0.229 24 S C 1.858 176.340 174.600 -0.198 0.000 1.021 24 S CA 0.927 59.051 58.200 -0.126 0.000 0.974 24 S CB -0.107 63.050 63.200 -0.073 0.000 0.800 24 S HN 0.275 nan 8.310 nan 0.000 0.484 25 L N 1.482 122.506 121.223 -0.332 0.000 2.056 25 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 25 L C 2.439 179.193 176.870 -0.192 0.000 1.078 25 L CA 1.215 55.861 54.840 -0.324 0.000 0.749 25 L CB -0.645 41.138 42.059 -0.459 0.000 0.901 25 L HN 0.307 nan 8.230 nan 0.000 0.433 26 N N 0.519 119.120 118.700 -0.165 0.000 2.166 26 N HA -0.178 4.562 4.740 -0.001 0.000 0.186 26 N C 1.739 177.199 175.510 -0.084 0.000 1.019 26 N CA 1.422 54.406 53.050 -0.109 0.000 0.856 26 N CB -0.022 38.410 38.487 -0.092 0.000 0.993 26 N HN 0.275 nan 8.380 nan 0.000 0.426 27 A N -0.011 122.759 122.820 -0.083 0.000 2.067 27 A HA 0.028 4.347 4.320 -0.001 0.000 0.219 27 A C 1.928 179.479 177.584 -0.054 0.000 1.158 27 A CA 0.700 52.702 52.037 -0.059 0.000 0.661 27 A CB -0.513 18.457 19.000 -0.050 0.000 0.801 27 A HN 0.389 nan 8.150 nan 0.000 0.452 28 L N -1.425 119.756 121.223 -0.070 0.000 2.599 28 L HA 0.187 4.527 4.340 -0.001 0.000 0.230 28 L C 1.662 178.501 176.870 -0.052 0.000 1.141 28 L CA 0.553 55.358 54.840 -0.058 0.000 0.877 28 L CB -0.150 41.867 42.059 -0.071 0.000 1.009 28 L HN 0.560 nan 8.230 nan 0.000 0.447 29 G N 0.205 108.972 108.800 -0.055 0.000 2.157 29 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.239 29 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.239 29 G C 0.191 175.060 174.900 -0.051 0.000 0.982 29 G CA -0.367 44.706 45.100 -0.046 0.000 0.650 29 G HN 0.192 nan 8.290 nan 0.000 0.527 30 L N 1.127 122.308 121.223 -0.070 0.000 2.371 30 L HA 0.560 4.899 4.340 -0.001 0.000 0.272 30 L C 1.336 178.162 176.870 -0.074 0.000 1.124 30 L CA -0.049 54.746 54.840 -0.075 0.000 0.816 30 L CB 1.099 43.098 42.059 -0.101 0.000 1.129 30 L HN 0.185 nan 8.230 nan 0.000 0.448 31 G N 4.064 112.827 108.800 -0.062 0.000 2.333 31 G HA2 0.459 4.418 3.960 -0.001 0.000 0.290 31 G HA3 0.459 4.418 3.960 -0.001 0.000 0.290 31 G C -0.303 174.556 174.900 -0.068 0.000 1.150 31 G CA -0.620 44.446 45.100 -0.057 0.000 0.895 31 G HN 0.422 nan 8.290 nan 0.000 0.444 32 L N 3.363 124.543 121.223 -0.071 0.000 2.319 32 L HA 0.329 4.669 4.340 -0.001 0.000 0.280 32 L C -0.124 176.709 176.870 -0.062 0.000 1.099 32 L CA -0.523 54.271 54.840 -0.077 0.000 0.828 32 L CB 0.854 42.865 42.059 -0.080 0.000 1.150 32 L HN 0.212 nan 8.230 nan 0.000 0.442 33 I N 2.957 123.488 120.570 -0.064 0.000 2.465 33 I HA 0.772 4.941 4.170 -0.001 0.000 0.291 33 I C 0.118 176.204 176.117 -0.051 0.000 1.014 33 I CA -0.238 61.028 61.300 -0.057 0.000 1.093 33 I CB 1.503 39.464 38.000 -0.066 0.000 1.267 33 I HN 0.761 nan 8.210 nan 0.000 0.431 34 A N 4.631 127.426 122.820 -0.041 0.000 2.536 34 A HA 0.920 5.240 4.320 -0.001 0.000 0.293 34 A C -0.852 176.719 177.584 -0.023 0.000 1.119 34 A CA -0.268 51.751 52.037 -0.030 0.000 0.654 34 A CB 1.853 20.837 19.000 -0.025 0.000 1.291 34 A HN 0.787 nan 8.150 nan 0.000 0.439 35 S N -1.640 114.052 115.700 -0.014 0.000 2.643 35 S HA 0.839 5.309 4.470 -0.001 0.000 0.270 35 S C 0.694 175.294 174.600 -0.002 0.000 1.166 35 S CA 0.436 58.631 58.200 -0.008 0.000 0.815 35 S CB 0.572 63.768 63.200 -0.006 0.000 1.139 35 S HN 2.855 nan 8.310 nan 0.000 0.472 36 G N 0.979 109.780 108.800 0.001 0.000 2.594 36 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.297 36 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.297 36 G C 1.056 175.958 174.900 0.003 0.000 1.273 36 G CA 0.752 45.854 45.100 0.003 0.000 0.974 36 G HN 1.997 nan 8.290 nan 0.000 0.552 37 G N -1.595 107.208 108.800 0.005 0.000 2.442 37 G HA2 0.009 3.969 3.960 -0.001 0.000 0.219 37 G HA3 0.009 3.969 3.960 -0.001 0.000 0.219 37 G C 1.867 176.773 174.900 0.011 0.000 1.141 37 G CA 2.386 47.490 45.100 0.007 0.000 0.763 37 G HN 1.063 nan 8.290 nan 0.000 0.554 38 T N 1.564 116.126 114.554 0.013 0.000 2.746 38 T HA 0.017 4.367 4.350 -0.001 0.000 0.267 38 T C 2.828 177.531 174.700 0.005 0.000 1.039 38 T CA 1.500 63.609 62.100 0.015 0.000 1.142 38 T CB -0.350 68.528 68.868 0.016 0.000 0.866 38 T HN 0.378 nan 8.240 nan 0.000 0.444 39 A N 1.352 124.171 122.820 -0.001 0.000 1.902 39 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 39 A C 2.567 180.148 177.584 -0.005 0.000 1.181 39 A CA 2.053 54.085 52.037 -0.008 0.000 0.623 39 A CB -1.273 17.722 19.000 -0.010 0.000 0.818 39 A HN 0.469 nan 8.150 nan 0.000 0.443 40 T N 0.457 115.010 114.554 -0.001 0.000 2.684 40 T HA -0.065 4.285 4.350 -0.001 0.000 0.267 40 T C 2.220 176.921 174.700 0.002 0.000 1.036 40 T CA 1.691 63.791 62.100 -0.000 0.000 1.148 40 T CB -0.513 68.356 68.868 0.002 0.000 0.863 40 T HN 0.609 nan 8.240 nan 0.000 0.436 41 A N 1.132 123.956 122.820 0.006 0.000 1.940 41 A HA -0.018 4.302 4.320 -0.001 0.000 0.219 41 A C 2.300 179.888 177.584 0.006 0.000 1.176 41 A CA 1.242 53.285 52.037 0.011 0.000 0.631 41 A CB -0.786 18.226 19.000 0.020 0.000 0.814 41 A HN 0.495 nan 8.150 nan 0.000 0.446 42 L N -1.430 119.792 121.223 -0.001 0.000 2.072 42 L HA -0.115 4.225 4.340 -0.001 0.000 0.205 42 L C 2.868 179.732 176.870 -0.011 0.000 1.079 42 L CA 1.035 55.869 54.840 -0.009 0.000 0.752 42 L CB -0.538 41.509 42.059 -0.020 0.000 0.906 42 L HN 0.349 nan 8.230 nan 0.000 0.436 43 R N 0.245 120.740 120.500 -0.009 0.000 2.073 43 R HA -0.146 4.194 4.340 -0.001 0.000 0.234 43 R C 1.764 178.061 176.300 -0.006 0.000 1.134 43 R CA 1.511 57.605 56.100 -0.009 0.000 0.952 43 R CB -0.493 29.802 30.300 -0.008 0.000 0.850 43 R HN 0.328 nan 8.270 nan 0.000 0.433 44 D N 0.665 121.063 120.400 -0.003 0.000 2.265 44 D HA -0.107 4.533 4.640 -0.001 0.000 0.208 44 D C 1.296 177.596 176.300 0.000 0.000 0.977 44 D CA 1.150 55.150 54.000 -0.000 0.000 0.871 44 D CB -0.020 40.782 40.800 0.003 0.000 0.925 44 D HN 0.265 nan 8.370 nan 0.000 0.485 45 A N -0.545 122.275 122.820 -0.001 0.000 2.275 45 A HA 0.458 4.777 4.320 -0.001 0.000 0.212 45 A C 1.715 179.295 177.584 -0.005 0.000 1.201 45 A CA 0.752 52.788 52.037 -0.001 0.000 0.843 45 A CB -0.158 18.842 19.000 0.001 0.000 0.873 45 A HN 0.193 nan 8.150 nan 0.000 0.492 46 G N -0.866 107.929 108.800 -0.007 0.000 2.153 46 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.252 46 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.252 46 G C 0.037 174.928 174.900 -0.015 0.000 0.994 46 G CA 0.446 45.540 45.100 -0.010 0.000 0.698 46 G HN 0.448 nan 8.290 nan 0.000 0.521 47 L N 1.533 122.745 121.223 -0.019 0.000 2.357 47 L HA 0.472 4.812 4.340 -0.001 0.000 0.273 47 L C -1.297 175.556 176.870 -0.028 0.000 1.080 47 L CA -2.152 52.672 54.840 -0.027 0.000 0.803 47 L CB 1.180 43.218 42.059 -0.034 0.000 1.174 47 L HN -0.007 nan 8.230 nan 0.000 0.443 48 P HA 0.145 nan 4.420 nan 0.000 0.276 48 P C -1.022 176.256 177.300 -0.036 0.000 1.243 48 P CA -0.022 63.059 63.100 -0.031 0.000 0.768 48 P CB 1.856 33.537 31.700 -0.031 0.000 0.856 49 V N 4.774 124.669 119.914 -0.031 0.000 2.891 49 V HA 0.451 4.571 4.120 -0.001 0.000 0.304 49 V C -1.037 175.040 176.094 -0.029 0.000 1.171 49 V CA -0.881 61.398 62.300 -0.034 0.000 0.943 49 V CB 2.560 34.364 31.823 -0.033 0.000 1.037 49 V HN 0.469 nan 8.190 nan 0.000 0.427 50 R N 3.878 124.359 120.500 -0.032 0.000 2.532 50 R HA 0.452 4.791 4.340 -0.001 0.000 0.295 50 R C -0.609 175.672 176.300 -0.031 0.000 0.968 50 R CA -0.710 55.373 56.100 -0.029 0.000 0.916 50 R CB 1.601 31.882 30.300 -0.031 0.000 1.124 50 R HN 0.860 nan 8.270 nan 0.000 0.463 51 D N 1.571 121.955 120.400 -0.026 0.000 2.362 51 D HA -0.008 4.631 4.640 -0.001 0.000 0.242 51 D C 1.079 177.359 176.300 -0.034 0.000 1.132 51 D CA -0.094 53.891 54.000 -0.026 0.000 0.907 51 D CB 1.566 42.356 40.800 -0.017 0.000 1.195 51 D HN 0.134 nan 8.370 nan 0.000 0.429 52 V N 2.752 122.644 119.914 -0.037 0.000 2.332 52 V HA -0.289 3.830 4.120 -0.001 0.000 0.248 52 V C 2.533 178.592 176.094 -0.058 0.000 1.055 52 V CA 2.309 64.578 62.300 -0.053 0.000 1.038 52 V CB -0.897 30.898 31.823 -0.047 0.000 0.651 52 V HN 0.713 nan 8.190 nan 0.000 0.450 53 S N -0.302 115.379 115.700 -0.031 0.000 2.442 53 S HA -0.252 4.218 4.470 -0.001 0.000 0.236 53 S C 1.577 176.158 174.600 -0.032 0.000 1.007 53 S CA 1.702 59.889 58.200 -0.020 0.000 0.965 53 S CB -0.505 62.699 63.200 0.006 0.000 0.773 53 S HN 0.599 nan 8.310 nan 0.000 0.504 54 D N 0.943 121.323 120.400 -0.034 0.000 2.149 54 D HA 0.066 4.706 4.640 -0.001 0.000 0.201 54 D C 1.731 178.009 176.300 -0.036 0.000 0.972 54 D CA 0.556 54.539 54.000 -0.028 0.000 0.835 54 D CB -0.236 40.549 40.800 -0.025 0.000 0.966 54 D HN 0.326 nan 8.370 nan 0.000 0.476 55 L N -0.018 121.169 121.223 -0.059 0.000 2.072 55 L HA -0.038 4.301 4.340 -0.001 0.000 0.205 55 L C 2.324 179.126 176.870 -0.114 0.000 1.079 55 L CA 1.868 56.663 54.840 -0.076 0.000 0.752 55 L CB -0.902 41.097 42.059 -0.099 0.000 0.906 55 L HN 0.173 nan 8.230 nan 0.000 0.436 56 T N -4.056 110.384 114.554 -0.189 0.000 2.978 56 T HA 0.152 4.502 4.350 -0.001 0.000 0.262 56 T C 1.602 176.184 174.700 -0.196 0.000 1.063 56 T CA 0.569 62.428 62.100 -0.401 0.000 1.140 56 T CB -0.504 67.960 68.868 -0.674 0.000 0.886 56 T HN 0.581 nan 8.240 nan 0.000 0.470 57 G N 0.988 109.747 108.800 -0.068 0.000 2.153 57 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.252 57 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.252 57 G C -0.151 174.770 174.900 0.035 0.000 0.994 57 G CA 0.192 45.292 45.100 0.001 0.000 0.698 57 G HN 0.665 nan 8.290 nan 0.000 0.521 58 F N 2.727 122.603 119.950 -0.122 0.000 2.404 58 F HA 0.616 5.143 4.527 -0.000 0.000 0.339 58 F C -1.199 174.585 175.800 -0.026 0.000 1.105 58 F CA -2.268 55.703 58.000 -0.049 0.000 1.087 58 F CB 1.336 40.307 39.000 -0.048 0.000 1.143 58 F HN 0.010 nan 8.300 nan 0.000 0.491 59 P HA 0.039 nan 4.420 nan 0.000 0.271 59 P C -0.380 176.907 177.300 -0.021 0.000 1.218 59 P CA -0.144 62.815 63.100 -0.235 0.000 0.780 59 P CB 0.850 32.343 31.700 -0.345 0.000 0.901 63 G N 0.070 108.898 108.800 0.046 0.000 2.225 63 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.267 63 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.267 63 G C 1.060 175.984 174.900 0.041 0.000 1.024 63 G CA 0.681 45.804 45.100 0.038 0.000 0.784 63 G HN 1.266 nan 8.290 nan 0.000 0.507 64 G N -1.312 107.519 108.800 0.051 0.000 2.143 64 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.249 64 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.249 64 G C 1.071 176.001 174.900 0.050 0.000 0.981 64 G CA 1.176 46.307 45.100 0.051 0.000 0.665 64 G HN 0.946 nan 8.290 nan 0.000 0.528 65 R N -0.376 120.156 120.500 0.052 0.000 2.241 65 R HA 0.117 4.457 4.340 -0.001 0.000 0.224 65 R C 2.166 178.493 176.300 0.046 0.000 1.101 65 R CA 1.632 57.761 56.100 0.049 0.000 0.995 65 R CB -0.024 30.307 30.300 0.051 0.000 0.870 65 R HN 0.977 nan 8.270 nan 0.000 0.463 66 V N -1.999 117.944 119.914 0.048 0.000 3.159 66 V HA 0.124 4.244 4.120 -0.001 0.000 0.333 66 V C 1.442 177.550 176.094 0.024 0.000 1.424 66 V CA -0.438 61.879 62.300 0.029 0.000 1.125 66 V CB 0.456 32.284 31.823 0.010 0.000 1.075 66 V HN 0.133 nan 8.190 nan 0.000 0.482 67 K N 1.866 122.291 120.400 0.042 0.000 2.103 67 K HA -0.181 4.139 4.320 -0.001 0.000 0.207 67 K C 1.709 178.318 176.600 0.014 0.000 1.048 67 K CA 2.363 58.673 56.287 0.039 0.000 0.930 67 K CB -0.885 31.636 32.500 0.035 0.000 0.716 67 K HN 0.628 nan 8.250 nan 0.000 0.444 68 T N -1.140 113.427 114.554 0.021 0.000 3.081 68 T HA 0.195 4.545 4.350 -0.001 0.000 0.250 68 T C 0.922 175.682 174.700 0.101 0.000 1.100 68 T CA -0.296 61.814 62.100 0.017 0.000 1.038 68 T CB -0.083 68.781 68.868 -0.005 0.000 0.962 68 T HN 0.125 nan 8.240 nan 0.000 0.516 69 L N 2.859 124.144 121.223 0.102 0.000 2.480 69 L HA 0.397 4.737 4.340 -0.001 0.000 0.243 69 L C 0.219 177.130 176.870 0.069 0.000 1.315 69 L CA -0.376 54.533 54.840 0.116 0.000 1.231 69 L CB -0.466 41.605 42.059 0.020 0.000 1.444 69 L HN 0.399 nan 8.230 nan 0.000 0.409 70 H N 0.613 119.695 119.070 0.021 0.000 2.851 70 H HA 0.289 4.845 4.556 -0.000 0.000 0.372 70 H C -2.326 172.990 175.328 -0.019 0.000 1.158 70 H CA -1.670 54.334 56.048 -0.073 0.000 1.159 70 H CB 3.051 32.729 29.762 -0.139 0.000 1.757 70 H HN -0.076 nan 8.280 nan 0.000 0.546 71 P HA -0.101 nan 4.420 nan 0.000 0.218 71 P C 1.105 178.274 177.300 -0.219 0.000 1.148 71 P CA 2.106 65.160 63.100 -0.076 0.000 0.822 71 P CB 0.083 31.778 31.700 -0.008 0.000 0.784 72 A N -0.791 121.845 122.820 -0.307 0.000 1.940 72 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 72 A C 2.286 179.568 177.584 -0.503 0.000 1.176 72 A CA 1.887 53.319 52.037 -1.009 0.000 0.631 72 A CB -1.599 17.050 19.000 -0.585 0.000 0.814 72 A HN 0.047 nan 8.150 nan 0.000 0.446 73 V N -0.789 118.982 119.914 -0.238 0.000 2.256 73 V HA -0.170 3.949 4.120 -0.001 0.000 0.240 73 V C 2.406 178.330 176.094 -0.282 0.000 1.036 73 V CA 1.820 63.969 62.300 -0.253 0.000 1.008 73 V CB -1.014 30.655 31.823 -0.256 0.000 0.648 73 V HN 0.645 nan 8.190 nan 0.000 0.453 74 H N 0.109 119.131 119.070 -0.081 0.000 2.423 74 H HA -0.014 4.542 4.556 -0.001 0.000 0.297 74 H C 2.310 177.619 175.328 -0.031 0.000 1.075 74 H CA 1.627 57.647 56.048 -0.047 0.000 1.342 74 H CB -0.171 29.571 29.762 -0.034 0.000 1.395 74 H HN 0.455 nan 8.280 nan 0.000 0.530 75 A N 0.705 123.556 122.820 0.051 0.000 1.929 75 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 75 A C 2.800 180.413 177.584 0.050 0.000 1.176 75 A CA 1.259 53.351 52.037 0.093 0.000 0.628 75 A CB -0.908 18.226 19.000 0.223 0.000 0.816 75 A HN 0.438 nan 8.150 nan 0.000 0.444 76 G N -0.019 108.754 108.800 -0.045 0.000 2.432 76 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.219 76 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.219 76 G C 1.476 176.360 174.900 -0.028 0.000 1.135 76 G CA 1.180 46.256 45.100 -0.040 0.000 0.767 76 G HN 0.488 nan 8.290 nan 0.000 0.550 77 I N -0.186 120.358 120.570 -0.043 0.000 2.400 77 I HA 0.066 4.236 4.170 -0.001 0.000 0.248 77 I C 2.346 178.473 176.117 0.017 0.000 1.109 77 I CA 0.518 61.802 61.300 -0.027 0.000 1.425 77 I CB -0.035 37.928 38.000 -0.061 0.000 1.094 77 I HN 0.071 nan 8.210 nan 0.000 0.425 78 L N 0.792 122.042 121.223 0.045 0.000 2.492 78 L HA 0.164 4.503 4.340 -0.001 0.000 0.223 78 L C 1.337 178.235 176.870 0.047 0.000 1.132 78 L CA -0.397 54.478 54.840 0.057 0.000 0.850 78 L CB -0.375 41.733 42.059 0.081 0.000 0.966 78 L HN 0.104 nan 8.230 nan 0.000 0.454 79 A N 1.004 123.853 122.820 0.048 0.000 2.498 79 A HA 0.305 4.624 4.320 -0.001 0.000 0.239 79 A C 0.273 177.874 177.584 0.029 0.000 1.068 79 A CA 0.199 52.264 52.037 0.047 0.000 0.766 79 A CB 0.144 19.181 19.000 0.062 0.000 1.003 79 A HN 0.299 nan 8.150 nan 0.000 0.497 80 R N 1.076 121.590 120.500 0.023 0.000 2.828 80 R HA 0.311 4.651 4.340 -0.001 0.000 0.264 80 R C -0.720 175.586 176.300 0.010 0.000 1.022 80 R CA -0.991 55.115 56.100 0.010 0.000 1.021 80 R CB 0.894 31.196 30.300 0.003 0.000 1.163 80 R HN 0.739 nan 8.270 nan 0.000 0.494 81 N N 2.637 121.339 118.700 0.004 0.000 3.178 81 N HA 0.140 4.880 4.740 -0.001 0.000 0.300 81 N C -0.514 174.998 175.510 0.003 0.000 1.242 81 N CA 0.261 53.314 53.050 0.005 0.000 1.192 81 N CB -0.274 38.214 38.487 0.002 0.000 1.463 81 N HN 0.417 nan 8.380 nan 0.000 0.539 82 I N -3.636 116.937 120.570 0.005 0.000 2.828 82 I HA 0.483 4.653 4.170 -0.001 0.000 0.302 82 I C -2.232 173.888 176.117 0.005 0.000 1.101 82 I CA -2.529 58.773 61.300 0.004 0.000 1.031 82 I CB 2.544 40.546 38.000 0.003 0.000 1.231 82 I HN -0.231 nan 8.210 nan 0.000 0.427 83 P HA -0.216 nan 4.420 nan 0.000 0.217 83 P C 0.921 178.223 177.300 0.003 0.000 1.162 83 P CA 1.947 65.048 63.100 0.002 0.000 0.901 83 P CB 0.167 31.867 31.700 0.001 0.000 0.793 84 E N -0.783 119.419 120.200 0.003 0.000 2.077 84 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 84 E C 1.773 178.377 176.600 0.007 0.000 0.989 84 E CA 1.446 57.848 56.400 0.003 0.000 0.800 84 E CB -0.998 28.704 29.700 0.004 0.000 0.746 84 E HN 0.314 nan 8.360 nan 0.000 0.452 85 D N 0.091 120.498 120.400 0.012 0.000 2.097 85 D HA -0.075 4.565 4.640 -0.001 0.000 0.197 85 D C 1.546 177.859 176.300 0.021 0.000 0.984 85 D CA 0.742 54.754 54.000 0.021 0.000 0.826 85 D CB -0.297 40.517 40.800 0.024 0.000 0.973 85 D HN 0.070 nan 8.370 nan 0.000 0.460 86 N N 0.463 119.172 118.700 0.015 0.000 2.205 86 N HA -0.132 4.607 4.740 -0.001 0.000 0.186 86 N C 1.625 177.138 175.510 0.005 0.000 1.015 86 N CA 1.065 54.124 53.050 0.014 0.000 0.862 86 N CB -0.112 38.381 38.487 0.010 0.000 0.986 86 N HN 0.135 nan 8.380 nan 0.000 0.429 87 A N 1.375 124.194 122.820 -0.000 0.000 1.845 87 A HA -0.097 4.222 4.320 -0.001 0.000 0.215 87 A C 1.027 178.599 177.584 -0.020 0.000 1.195 87 A CA 0.946 52.977 52.037 -0.010 0.000 0.616 87 A CB -0.462 18.533 19.000 -0.009 0.000 0.832 87 A HN 0.163 nan 8.150 nan 0.000 0.443 91 K N 1.327 121.668 120.400 -0.099 0.000 2.152 91 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 91 K C 1.190 177.673 176.600 -0.195 0.000 1.048 91 K CA 1.439 57.657 56.287 -0.115 0.000 0.933 91 K CB 0.235 32.678 32.500 -0.094 0.000 0.721 91 K HN 0.157 nan 8.250 nan 0.000 0.447 92 Q N 0.109 119.707 119.800 -0.336 0.000 2.402 92 Q HA -0.056 4.284 4.340 -0.001 0.000 0.206 92 Q C -0.029 175.624 176.000 -0.579 0.000 0.919 92 Q CA 0.731 56.137 55.803 -0.662 0.000 0.923 92 Q CB 0.282 28.198 28.738 -1.370 0.000 1.048 92 Q HN 0.390 nan 8.270 nan 0.000 0.515 93 D N -1.019 119.215 120.400 -0.278 0.000 2.873 93 D HA -0.164 4.476 4.640 -0.001 0.000 0.228 93 D C -1.380 174.998 176.300 0.131 0.000 1.122 93 D CA 0.174 54.137 54.000 -0.062 0.000 0.758 93 D CB -1.124 39.661 40.800 -0.025 0.000 1.094 93 D HN -0.021 nan 8.370 nan 0.000 0.434 94 F N 0.663 120.627 119.950 0.024 0.000 2.385 94 F HA 0.536 5.063 4.527 -0.000 0.000 0.336 94 F C 1.334 177.142 175.800 0.013 0.000 1.100 94 F CA -1.116 56.899 58.000 0.025 0.000 1.116 94 F CB 1.545 40.565 39.000 0.034 0.000 1.166 94 F HN -0.208 nan 8.300 nan 0.000 0.511 95 S N 2.940 118.755 115.700 0.192 0.000 2.646 95 S HA 0.609 5.078 4.470 -0.001 0.000 0.276 95 S C -0.154 174.479 174.600 0.055 0.000 1.222 95 S CA -0.738 57.516 58.200 0.089 0.000 1.014 95 S CB 1.040 64.266 63.200 0.043 0.000 0.991 95 S HN 0.351 nan 8.310 nan 0.000 0.533 96 L N 1.870 123.114 121.223 0.034 0.000 2.350 96 L HA 0.417 4.757 4.340 -0.001 0.000 0.275 96 L C -0.612 176.251 176.870 -0.012 0.000 1.099 96 L CA -0.701 54.149 54.840 0.016 0.000 0.808 96 L CB 0.776 42.845 42.059 0.017 0.000 1.149 96 L HN 0.296 nan 8.230 nan 0.000 0.442 97 V N 3.837 123.736 119.914 -0.025 0.000 2.350 97 V HA 0.228 4.348 4.120 -0.001 0.000 0.276 97 V C 0.891 176.967 176.094 -0.029 0.000 1.028 97 V CA -0.297 61.978 62.300 -0.042 0.000 0.860 97 V CB 1.242 33.026 31.823 -0.065 0.000 0.990 97 V HN 0.763 nan 8.190 nan 0.000 0.453 98 R N 4.052 124.534 120.500 -0.030 0.000 2.189 98 R HA 0.244 4.583 4.340 -0.001 0.000 0.203 98 R C -0.059 176.232 176.300 -0.015 0.000 1.012 98 R CA 0.593 56.682 56.100 -0.019 0.000 1.015 98 R CB 0.570 30.857 30.300 -0.021 0.000 0.938 98 R HN 0.542 nan 8.270 nan 0.000 0.472 99 V N 1.196 121.093 119.914 -0.029 0.000 2.709 99 V HA 0.393 4.513 4.120 -0.001 0.000 0.308 99 V C -0.990 175.092 176.094 -0.020 0.000 1.062 99 V CA -0.890 61.401 62.300 -0.015 0.000 0.901 99 V CB 2.102 33.902 31.823 -0.040 0.000 1.003 99 V HN -0.201 nan 8.190 nan 0.000 0.425 100 V N 4.966 124.882 119.914 0.003 0.000 2.407 100 V HA 0.464 4.583 4.120 -0.001 0.000 0.291 100 V C -0.456 175.659 176.094 0.034 0.000 1.018 100 V CA -0.527 61.769 62.300 -0.007 0.000 0.842 100 V CB 2.032 33.837 31.823 -0.029 0.000 0.996 100 V HN 0.630 nan 8.190 nan 0.000 0.426 101 V N 4.466 124.407 119.914 0.046 0.000 2.334 101 V HA 0.586 4.706 4.120 -0.001 0.000 0.281 101 V C -0.217 175.918 176.094 0.067 0.000 1.016 101 V CA -0.348 62.013 62.300 0.102 0.000 0.832 101 V CB 1.273 33.179 31.823 0.138 0.000 0.999 101 V HN 0.986 nan 8.190 nan 0.000 0.439 102 C N 5.876 125.210 119.300 0.056 0.000 3.006 102 C HA 0.817 5.277 4.460 -0.001 0.000 0.359 102 C C -1.290 173.714 174.990 0.023 0.000 1.103 102 C CA -0.494 58.546 59.018 0.036 0.000 1.286 102 C CB 1.424 29.169 27.740 0.008 0.000 1.694 102 C HN 1.122 nan 8.230 nan 0.000 0.511 103 N N 4.048 122.778 118.700 0.049 0.000 2.331 103 N HA 0.745 5.484 4.740 -0.001 0.000 0.280 103 N C -1.732 173.865 175.510 0.146 0.000 1.155 103 N CA -0.808 52.294 53.050 0.087 0.000 0.822 103 N CB 0.889 39.381 38.487 0.008 0.000 1.619 103 N HN 0.637 nan 8.380 nan 0.000 0.476 104 L N 0.342 121.713 121.223 0.247 0.000 2.334 104 L HA 0.472 4.812 4.340 -0.001 0.000 0.275 104 L C -0.528 176.421 176.870 0.130 0.000 1.036 104 L CA -1.291 53.567 54.840 0.030 0.000 0.807 104 L CB 0.840 42.662 42.059 -0.396 0.000 1.231 104 L HN 0.609 nan 8.230 nan 0.000 0.438 105 Y N 3.244 123.579 120.300 0.058 0.000 2.496 105 Y HA 0.188 4.737 4.550 -0.001 0.000 0.334 105 Y C -2.001 174.012 175.900 0.187 0.000 1.080 105 Y CA -2.052 56.110 58.100 0.104 0.000 1.355 105 Y CB 0.462 38.979 38.460 0.095 0.000 1.193 105 Y HN 0.339 nan 8.280 nan 0.000 0.523 106 P HA -0.133 nan 4.420 nan 0.000 0.260 106 P C 0.215 177.499 177.300 -0.027 0.000 1.172 106 P CA 0.593 63.629 63.100 -0.107 0.000 0.760 106 P CB 0.187 31.741 31.700 -0.243 0.000 0.773 107 F N 5.167 125.105 119.950 -0.021 0.000 2.216 107 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 107 F C 1.929 177.626 175.800 -0.173 0.000 1.085 107 F CA 1.429 59.336 58.000 -0.155 0.000 1.326 107 F CB -0.521 38.186 39.000 -0.489 0.000 1.027 107 F HN 0.149 nan 8.300 nan 0.000 0.497 108 V N -1.662 118.164 119.914 -0.148 0.000 2.392 108 V HA -0.269 3.851 4.120 -0.001 0.000 0.249 108 V C 2.167 178.117 176.094 -0.241 0.000 1.059 108 V CA 2.055 64.242 62.300 -0.189 0.000 1.051 108 V CB -1.037 30.734 31.823 -0.087 0.000 0.658 108 V HN 0.280 nan 8.190 nan 0.000 0.455 109 K N 0.244 120.497 120.400 -0.245 0.000 2.155 109 K HA -0.039 4.281 4.320 -0.001 0.000 0.203 109 K C 2.311 178.838 176.600 -0.123 0.000 1.052 109 K CA 1.576 57.741 56.287 -0.203 0.000 0.948 109 K CB -0.403 31.891 32.500 -0.343 0.000 0.728 109 K HN 0.546 nan 8.250 nan 0.000 0.448 110 T N 1.153 115.601 114.554 -0.177 0.000 2.746 110 T HA -0.100 4.250 4.350 -0.001 0.000 0.267 110 T C 1.715 176.182 174.700 -0.389 0.000 1.039 110 T CA 1.580 63.570 62.100 -0.182 0.000 1.142 110 T CB -0.051 68.623 68.868 -0.323 0.000 0.866 110 T HN 0.196 nan 8.240 nan 0.000 0.444 111 V N 0.783 120.317 119.914 -0.633 0.000 3.577 111 V HA 0.347 4.466 4.120 -0.001 0.000 0.294 111 V C 1.424 177.361 176.094 -0.261 0.000 1.317 111 V CA 0.794 62.749 62.300 -0.575 0.000 1.169 111 V CB -0.506 30.754 31.823 -0.938 0.000 1.011 111 V HN 0.444 nan 8.190 nan 0.000 0.426 112 S N -1.551 114.037 115.700 -0.186 0.000 2.730 112 S HA 0.334 4.803 4.470 -0.001 0.000 0.244 112 S C 0.672 175.235 174.600 -0.062 0.000 1.022 112 S CA 0.044 58.186 58.200 -0.096 0.000 1.014 112 S CB -0.035 63.115 63.200 -0.083 0.000 0.963 112 S HN 0.491 nan 8.310 nan 0.000 0.540 113 S N 3.568 119.227 115.700 -0.068 0.000 2.606 113 S HA 0.318 4.787 4.470 -0.001 0.000 0.257 113 S C -1.271 173.314 174.600 -0.026 0.000 1.327 113 S CA -0.694 57.486 58.200 -0.034 0.000 0.984 113 S CB -0.147 63.032 63.200 -0.034 0.000 0.941 113 S HN 0.215 nan 8.310 nan 0.000 0.576 114 P HA -0.107 nan 4.420 nan 0.000 0.217 114 P C 0.622 177.917 177.300 -0.008 0.000 0.876 114 P CA 1.280 64.375 63.100 -0.008 0.000 1.034 114 P CB -0.165 31.531 31.700 -0.006 0.000 0.655 115 G N -0.871 107.926 108.800 -0.006 0.000 4.873 115 G HA2 0.345 4.305 3.960 -0.001 0.000 0.314 115 G HA3 0.345 4.305 3.960 -0.001 0.000 0.314 115 G C -0.778 174.121 174.900 -0.001 0.000 1.426 115 G CA -0.186 44.913 45.100 -0.001 0.000 1.136 115 G HN 0.359 nan 8.290 nan 0.000 0.589 116 V N 2.678 122.588 119.914 -0.008 0.000 2.529 116 V HA 0.431 4.551 4.120 -0.001 0.000 0.292 116 V C 1.006 177.111 176.094 0.018 0.000 1.028 116 V CA 0.314 62.608 62.300 -0.010 0.000 1.074 116 V CB 0.609 32.401 31.823 -0.051 0.000 0.958 116 V HN 0.603 nan 8.190 nan 0.000 0.481 117 T N 3.832 118.403 114.554 0.027 0.000 2.849 117 T HA 0.312 4.662 4.350 -0.001 0.000 0.284 117 T C 1.158 175.906 174.700 0.079 0.000 1.004 117 T CA -0.067 62.059 62.100 0.042 0.000 1.021 117 T CB 1.508 70.396 68.868 0.033 0.000 1.013 117 T HN 0.391 nan 8.240 nan 0.000 0.527 118 V N 2.114 122.076 119.914 0.081 0.000 2.295 118 V HA -0.044 4.075 4.120 -0.001 0.000 0.246 118 V C -0.514 175.656 176.094 0.126 0.000 1.049 118 V CA 1.529 63.897 62.300 0.114 0.000 1.024 118 V CB -1.677 30.128 31.823 -0.030 0.000 0.648 118 V HN 0.758 nan 8.190 nan 0.000 0.447 119 P HA -0.143 nan 4.420 nan 0.000 0.218 119 P C 1.620 178.979 177.300 0.097 0.000 1.148 119 P CA 1.323 64.479 63.100 0.094 0.000 0.822 119 P CB 0.073 31.813 31.700 0.066 0.000 0.784 120 E N -0.627 119.619 120.200 0.077 0.000 2.051 120 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 120 E C 2.093 178.737 176.600 0.074 0.000 0.991 120 E CA 1.197 57.634 56.400 0.060 0.000 0.799 120 E CB -0.502 29.217 29.700 0.032 0.000 0.748 120 E HN 0.099 nan 8.360 nan 0.000 0.449 121 A N 0.533 123.398 122.820 0.076 0.000 1.902 121 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 121 A C 2.433 180.171 177.584 0.256 0.000 1.181 121 A CA 1.177 53.244 52.037 0.050 0.000 0.623 121 A CB -0.623 18.299 19.000 -0.129 0.000 0.818 121 A HN 0.142 nan 8.150 nan 0.000 0.443 122 V N 0.234 120.322 119.914 0.290 0.000 2.295 122 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 122 V C 2.594 178.835 176.094 0.245 0.000 1.049 122 V CA 2.385 64.883 62.300 0.331 0.000 1.024 122 V CB -0.729 31.261 31.823 0.278 0.000 0.648 122 V HN 0.729 nan 8.190 nan 0.000 0.447 123 E N 0.508 120.815 120.200 0.178 0.000 2.265 123 E HA -0.192 4.157 4.350 -0.001 0.000 0.196 123 E C 1.950 178.637 176.600 0.144 0.000 0.996 123 E CA 1.117 57.599 56.400 0.137 0.000 0.832 123 E CB -0.141 29.618 29.700 0.098 0.000 0.756 123 E HN 0.367 nan 8.360 nan 0.000 0.491 124 K N 0.127 120.633 120.400 0.178 0.000 2.459 124 K HA 0.104 4.423 4.320 -0.001 0.000 0.193 124 K C 0.301 177.074 176.600 0.288 0.000 1.030 124 K CA -0.005 56.399 56.287 0.195 0.000 1.026 124 K CB -0.099 32.504 32.500 0.171 0.000 0.809 124 K HN 0.273 nan 8.250 nan 0.000 0.504 125 I N 2.892 123.633 120.570 0.285 0.000 2.742 125 I HA -0.106 4.064 4.170 -0.001 0.000 0.287 125 I C 0.738 176.998 176.117 0.238 0.000 1.186 125 I CA 0.158 61.603 61.300 0.241 0.000 1.417 125 I CB 0.118 38.174 38.000 0.093 0.000 1.377 125 I HN -0.028 nan 8.210 nan 0.000 0.556 126 D N 7.140 127.741 120.400 0.334 0.000 2.383 126 D HA 0.061 4.700 4.640 -0.001 0.000 0.252 126 D C 0.593 176.956 176.300 0.105 0.000 1.166 126 D CA 0.066 54.158 54.000 0.154 0.000 0.879 126 D CB 1.211 41.999 40.800 -0.020 0.000 1.164 126 D HN 0.321 nan 8.370 nan 0.000 0.462 127 I N 3.011 123.622 120.570 0.068 0.000 3.132 127 I HA 0.039 4.208 4.170 -0.001 0.000 0.255 127 I C 2.311 178.451 176.117 0.038 0.000 1.118 127 I CA 0.420 61.751 61.300 0.052 0.000 1.463 127 I CB -1.288 36.744 38.000 0.052 0.000 1.356 127 I HN 0.511 nan 8.210 nan 0.000 0.463 128 G N 1.028 109.852 108.800 0.040 0.000 2.421 128 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.216 128 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.216 128 G C 1.664 176.585 174.900 0.035 0.000 1.171 128 G CA 0.942 46.071 45.100 0.049 0.000 0.775 128 G HN 0.460 nan 8.290 nan 0.000 0.543 129 G N 0.364 109.166 108.800 0.003 0.000 2.418 129 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.217 129 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.217 129 G C 1.787 176.667 174.900 -0.033 0.000 1.158 129 G CA 1.214 46.302 45.100 -0.021 0.000 0.771 129 G HN 0.324 nan 8.290 nan 0.000 0.545 130 V N 1.562 121.444 119.914 -0.055 0.000 2.295 130 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 130 V C 3.339 179.441 176.094 0.014 0.000 1.049 130 V CA 2.069 64.340 62.300 -0.047 0.000 1.024 130 V CB -0.899 30.903 31.823 -0.035 0.000 0.648 130 V HN 0.483 nan 8.190 nan 0.000 0.447 131 A N -0.232 122.618 122.820 0.050 0.000 1.908 131 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 131 A C 2.217 179.911 177.584 0.183 0.000 1.181 131 A CA 1.881 53.985 52.037 0.112 0.000 0.627 131 A CB -0.551 18.524 19.000 0.126 0.000 0.818 131 A HN 0.509 nan 8.150 nan 0.000 0.445 132 L N -0.841 120.450 121.223 0.114 0.000 2.017 132 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 132 L C 2.632 179.494 176.870 -0.013 0.000 1.073 132 L CA 1.208 56.059 54.840 0.019 0.000 0.745 132 L CB -0.645 41.389 42.059 -0.043 0.000 0.894 132 L HN 0.374 nan 8.230 nan 0.000 0.432 133 L N -0.561 120.644 121.223 -0.031 0.000 2.017 133 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 133 L C 2.918 179.678 176.870 -0.184 0.000 1.073 133 L CA 1.409 56.194 54.840 -0.092 0.000 0.745 133 L CB -0.451 41.565 42.059 -0.071 0.000 0.894 133 L HN 0.215 nan 8.230 nan 0.000 0.432 134 R N -0.317 120.112 120.500 -0.118 0.000 2.075 134 R HA -0.109 4.231 4.340 -0.001 0.000 0.232 134 R C 2.405 178.691 176.300 -0.024 0.000 1.126 134 R CA 1.236 57.261 56.100 -0.126 0.000 0.963 134 R CB -0.518 29.854 30.300 0.119 0.000 0.858 134 R HN 0.350 nan 8.270 nan 0.000 0.435 135 A N 1.537 124.390 122.820 0.056 0.000 1.877 135 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 135 A C 2.414 180.026 177.584 0.047 0.000 1.186 135 A CA 1.680 53.780 52.037 0.105 0.000 0.620 135 A CB -0.654 18.472 19.000 0.211 0.000 0.822 135 A HN 0.384 nan 8.150 nan 0.000 0.443 136 A N -0.165 122.648 122.820 -0.012 0.000 1.877 136 A HA 0.170 4.490 4.320 -0.001 0.000 0.216 136 A C 2.522 180.093 177.584 -0.023 0.000 1.186 136 A CA 2.147 54.171 52.037 -0.022 0.000 0.620 136 A CB -1.068 17.904 19.000 -0.045 0.000 0.822 136 A HN 1.070 nan 8.150 nan 0.000 0.443 137 A N -0.083 122.641 122.820 -0.159 0.000 1.902 137 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 137 A C 2.137 179.813 177.584 0.152 0.000 1.181 137 A CA 2.052 53.949 52.037 -0.234 0.000 0.623 137 A CB -0.483 17.924 19.000 -0.988 0.000 0.818 137 A HN 0.594 nan 8.150 nan 0.000 0.443 138 K N -0.427 120.103 120.400 0.217 0.000 2.063 138 K HA -0.190 4.129 4.320 -0.001 0.000 0.208 138 K C 0.921 177.671 176.600 0.250 0.000 1.048 138 K CA 1.713 58.240 56.287 0.401 0.000 0.928 138 K CB -0.198 32.486 32.500 0.307 0.000 0.713 138 K HN 0.375 nan 8.250 nan 0.000 0.442 139 N N 1.139 119.922 118.700 0.138 0.000 2.466 139 N HA -0.036 4.703 4.740 -0.001 0.000 0.251 139 N C 0.637 176.157 175.510 0.017 0.000 1.164 139 N CA -0.127 52.945 53.050 0.037 0.000 0.888 139 N CB -0.075 38.433 38.487 0.035 0.000 1.177 139 N HN 0.358 nan 8.380 nan 0.000 0.498 140 H N -1.883 117.211 119.070 0.041 0.000 2.561 140 H HA 0.059 4.615 4.556 -0.000 0.000 0.278 140 H C 1.352 176.691 175.328 0.019 0.000 1.014 140 H CA 0.898 56.960 56.048 0.024 0.000 1.211 140 H CB -0.142 29.637 29.762 0.028 0.000 1.365 140 H HN 0.250 nan 8.280 nan 0.000 0.594 141 A N 1.480 124.115 122.820 -0.308 0.000 2.019 141 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 141 A C 2.550 180.099 177.584 -0.058 0.000 1.164 141 A CA 1.688 53.613 52.037 -0.187 0.000 0.644 141 A CB -0.444 18.445 19.000 -0.186 0.000 0.805 141 A HN 0.479 nan 8.150 nan 0.000 0.449 142 R N -1.925 118.554 120.500 -0.034 0.000 2.350 142 R HA 0.238 4.578 4.340 -0.001 0.000 0.199 142 R C -0.544 175.765 176.300 0.015 0.000 0.876 142 R CA 0.317 56.414 56.100 -0.005 0.000 1.062 142 R CB 0.619 30.914 30.300 -0.007 0.000 1.263 142 R HN 0.209 nan 8.270 nan 0.000 0.641 143 V N 1.935 121.864 119.914 0.025 0.000 2.509 143 V HA 0.267 4.386 4.120 -0.001 0.000 0.284 143 V C -0.193 175.933 176.094 0.052 0.000 1.047 143 V CA -0.293 62.025 62.300 0.031 0.000 0.952 143 V CB 1.632 33.468 31.823 0.021 0.000 0.988 143 V HN 0.151 nan 8.190 nan 0.000 0.469 144 T N 4.437 119.018 114.554 0.044 0.000 2.738 144 T HA 0.364 4.714 4.350 -0.001 0.000 0.298 144 T C -0.389 174.342 174.700 0.051 0.000 0.962 144 T CA -0.034 62.102 62.100 0.059 0.000 0.972 144 T CB 1.157 70.070 68.868 0.074 0.000 0.928 144 T HN 0.474 nan 8.240 nan 0.000 0.474 145 V N 5.813 125.747 119.914 0.035 0.000 2.398 145 V HA 0.632 4.752 4.120 -0.001 0.000 0.286 145 V C -0.784 175.321 176.094 0.017 0.000 1.026 145 V CA -0.461 61.845 62.300 0.009 0.000 0.868 145 V CB 1.282 33.076 31.823 -0.048 0.000 0.982 145 V HN 0.669 nan 8.190 nan 0.000 0.443 146 V N 6.994 126.936 119.914 0.046 0.000 2.349 146 V HA 0.252 4.371 4.120 -0.001 0.000 0.284 146 V C 0.665 176.772 176.094 0.022 0.000 1.014 146 V CA -0.242 62.089 62.300 0.053 0.000 0.826 146 V CB 0.864 32.774 31.823 0.145 0.000 1.009 146 V HN 1.087 nan 8.190 nan 0.000 0.431 147 C N -0.054 119.190 119.300 -0.093 0.000 3.038 147 C HA 0.409 4.869 4.460 -0.001 0.000 0.279 147 C C 0.409 175.229 174.990 -0.285 0.000 1.276 147 C CA -0.076 58.818 59.018 -0.208 0.000 1.697 147 C CB -0.721 26.793 27.740 -0.378 0.000 2.032 147 C HN 0.747 nan 8.230 nan 0.000 0.636 148 D N 1.066 121.320 120.400 -0.245 0.000 2.469 148 D HA 0.401 5.040 4.640 -0.001 0.000 0.251 148 D C -1.968 174.025 176.300 -0.512 0.000 1.173 148 D CA -1.896 51.917 54.000 -0.312 0.000 0.882 148 D CB 1.936 42.590 40.800 -0.242 0.000 1.129 148 D HN -0.126 nan 8.370 nan 0.000 0.549 149 P HA -0.134 nan 4.420 nan 0.000 0.219 149 P C 0.967 177.712 177.300 -0.926 0.000 1.144 149 P CA 1.188 63.381 63.100 -1.511 0.000 0.806 149 P CB 0.266 31.445 31.700 -0.868 0.000 0.771 150 A N -0.564 121.963 122.820 -0.489 0.000 2.125 150 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 150 A C 1.670 179.112 177.584 -0.237 0.000 1.156 150 A CA 1.603 53.467 52.037 -0.288 0.000 0.671 150 A CB -0.834 18.048 19.000 -0.196 0.000 0.794 150 A HN 0.126 nan 8.150 nan 0.000 0.459 151 D N -1.850 118.383 120.400 -0.280 0.000 2.360 151 D HA 0.028 4.668 4.640 -0.001 0.000 0.210 151 D C 1.022 177.236 176.300 -0.144 0.000 1.047 151 D CA 0.098 54.000 54.000 -0.164 0.000 0.854 151 D CB -0.144 40.581 40.800 -0.125 0.000 0.936 151 D HN 0.419 nan 8.370 nan 0.000 0.514 152 Y N 1.729 121.766 120.300 -0.439 0.000 2.081 152 Y HA -0.224 4.326 4.550 -0.001 0.000 0.280 152 Y C 2.785 178.503 175.900 -0.303 0.000 1.163 152 Y CA 0.438 58.093 58.100 -0.741 0.000 1.135 152 Y CB -1.252 36.837 38.460 -0.617 0.000 0.970 152 Y HN -0.028 nan 8.280 nan 0.000 0.498 153 S N -0.142 115.578 115.700 0.034 0.000 2.351 153 S HA -0.209 4.261 4.470 -0.001 0.000 0.220 153 S C 2.447 177.081 174.600 0.056 0.000 1.035 153 S CA 2.224 60.461 58.200 0.061 0.000 1.031 153 S CB -0.721 62.498 63.200 0.032 0.000 0.928 153 S HN 0.639 nan 8.310 nan 0.000 0.433 154 S N 0.895 116.608 115.700 0.021 0.000 2.370 154 S HA -0.087 4.383 4.470 -0.001 0.000 0.226 154 S C 1.895 176.530 174.600 0.058 0.000 1.033 154 S CA 1.541 59.758 58.200 0.028 0.000 1.011 154 S CB -1.118 62.084 63.200 0.004 0.000 0.852 154 S HN 0.375 nan 8.310 nan 0.000 0.457 155 V N 2.771 122.725 119.914 0.066 0.000 2.295 155 V HA -0.109 4.011 4.120 -0.001 0.000 0.246 155 V C 3.185 179.405 176.094 0.211 0.000 1.049 155 V CA 1.702 64.082 62.300 0.132 0.000 1.024 155 V CB -1.579 30.331 31.823 0.146 0.000 0.648 155 V HN 0.681 nan 8.190 nan 0.000 0.447 156 A N -0.243 122.759 122.820 0.303 0.000 1.902 156 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 156 A C 2.290 179.950 177.584 0.128 0.000 1.181 156 A CA 2.036 54.232 52.037 0.266 0.000 0.623 156 A CB -0.449 18.743 19.000 0.321 0.000 0.818 156 A HN 0.555 nan 8.150 nan 0.000 0.443 157 K N 0.051 120.514 120.400 0.104 0.000 2.057 157 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 157 K C 1.313 177.946 176.600 0.055 0.000 1.049 157 K CA 0.974 57.300 56.287 0.065 0.000 0.931 157 K CB -0.119 32.413 32.500 0.052 0.000 0.714 157 K HN 0.723 nan 8.250 nan 0.000 0.440 161 A N 1.020 123.852 122.820 0.020 0.000 2.206 161 A HA 0.439 4.758 4.320 -0.001 0.000 0.211 161 A C 1.359 178.953 177.584 0.016 0.000 1.158 161 A CA 1.264 53.312 52.037 0.017 0.000 0.761 161 A CB -0.739 18.273 19.000 0.020 0.000 0.801 161 A HN 1.473 nan 8.150 nan 0.000 0.473 162 S N -1.287 114.423 115.700 0.017 0.000 2.584 162 S HA 0.522 4.992 4.470 -0.001 0.000 0.273 162 S C 1.109 175.715 174.600 0.010 0.000 1.311 162 S CA 0.209 58.418 58.200 0.015 0.000 1.034 162 S CB 1.498 64.709 63.200 0.018 0.000 0.939 162 S HN 0.543 nan 8.310 nan 0.000 0.513 163 K N 1.386 121.792 120.400 0.009 0.000 2.097 163 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 163 K C 1.151 177.753 176.600 0.004 0.000 1.050 163 K CA 1.683 57.974 56.287 0.006 0.000 0.938 163 K CB -1.290 31.214 32.500 0.007 0.000 0.718 163 K HN 0.972 nan 8.250 nan 0.000 0.442 164 D N -0.615 119.789 120.400 0.005 0.000 2.358 164 D HA 0.071 4.711 4.640 -0.001 0.000 0.224 164 D C -0.323 175.977 176.300 0.001 0.000 1.123 164 D CA -0.194 53.808 54.000 0.003 0.000 0.833 164 D CB -0.014 40.789 40.800 0.005 0.000 0.946 164 D HN 0.455 nan 8.370 nan 0.000 0.505 165 K N -0.211 120.190 120.400 0.002 0.000 3.071 165 K HA -0.224 4.095 4.320 -0.001 0.000 0.262 165 K C -0.638 175.961 176.600 -0.000 0.000 0.977 165 K CA 1.061 57.347 56.287 -0.002 0.000 0.721 165 K CB -1.291 31.202 32.500 -0.011 0.000 1.293 165 K HN 0.418 nan 8.250 nan 0.000 0.475 166 D N -0.846 119.560 120.400 0.009 0.000 2.570 166 D HA 0.296 4.936 4.640 -0.001 0.000 0.244 166 D C -0.197 176.120 176.300 0.028 0.000 1.178 166 D CA -0.134 53.875 54.000 0.016 0.000 0.881 166 D CB 1.345 42.152 40.800 0.012 0.000 1.453 166 D HN 0.085 nan 8.370 nan 0.000 0.447 167 T N -1.053 113.524 114.554 0.038 0.000 2.754 167 T HA 0.534 4.884 4.350 -0.001 0.000 0.286 167 T C 0.584 175.310 174.700 0.043 0.000 0.997 167 T CA -0.658 61.472 62.100 0.050 0.000 0.982 167 T CB 0.620 69.526 68.868 0.064 0.000 1.027 167 T HN 0.379 nan 8.240 nan 0.000 0.529 168 S N -0.222 115.507 115.700 0.048 0.000 2.672 168 S HA 0.336 4.805 4.470 -0.001 0.000 0.276 168 S C 1.344 175.972 174.600 0.046 0.000 1.207 168 S CA -0.873 57.353 58.200 0.043 0.000 1.002 168 S CB 1.044 64.271 63.200 0.046 0.000 0.998 168 S HN 0.505 nan 8.310 nan 0.000 0.542 169 V N 1.992 121.929 119.914 0.038 0.000 2.332 169 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 169 V C 2.804 178.920 176.094 0.038 0.000 1.055 169 V CA 2.224 64.548 62.300 0.040 0.000 1.038 169 V CB -1.128 30.712 31.823 0.028 0.000 0.651 169 V HN 0.965 nan 8.190 nan 0.000 0.450 170 E N -0.071 120.147 120.200 0.030 0.000 2.085 170 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 170 E C 2.114 178.730 176.600 0.026 0.000 0.994 170 E CA 1.974 58.380 56.400 0.010 0.000 0.801 170 E CB -1.276 28.463 29.700 0.065 0.000 0.743 170 E HN 0.531 nan 8.360 nan 0.000 0.453 171 T N 1.496 116.101 114.554 0.086 0.000 2.746 171 T HA -0.095 4.255 4.350 -0.001 0.000 0.267 171 T C 1.933 176.681 174.700 0.079 0.000 1.039 171 T CA 1.497 63.666 62.100 0.116 0.000 1.142 171 T CB -0.147 68.776 68.868 0.091 0.000 0.866 171 T HN 0.207 nan 8.240 nan 0.000 0.444 172 R N 0.558 121.095 120.500 0.062 0.000 2.148 172 R HA 0.056 4.396 4.340 -0.001 0.000 0.227 172 R C 2.670 178.985 176.300 0.024 0.000 1.103 172 R CA 0.851 56.994 56.100 0.072 0.000 0.983 172 R CB -0.138 30.230 30.300 0.113 0.000 0.874 172 R HN 0.362 nan 8.270 nan 0.000 0.451 173 R N -0.362 120.111 120.500 -0.045 0.000 2.066 173 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 173 R C 2.080 178.214 176.300 -0.277 0.000 1.131 173 R CA 1.225 57.193 56.100 -0.221 0.000 0.955 173 R CB -0.255 29.873 30.300 -0.287 0.000 0.851 173 R HN 0.362 nan 8.270 nan 0.000 0.432 174 H N 0.385 119.439 119.070 -0.026 0.000 2.428 174 H HA -0.026 4.530 4.556 -0.000 0.000 0.296 174 H C 2.167 177.471 175.328 -0.039 0.000 1.062 174 H CA 0.999 57.030 56.048 -0.028 0.000 1.350 174 H CB -0.020 29.735 29.762 -0.012 0.000 1.403 174 H HN 0.183 nan 8.280 nan 0.000 0.533 175 L N 0.061 121.318 121.223 0.055 0.000 2.109 175 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 175 L C 2.822 179.666 176.870 -0.044 0.000 1.086 175 L CA 0.819 55.665 54.840 0.009 0.000 0.760 175 L CB -0.407 41.662 42.059 0.018 0.000 0.910 175 L HN 0.192 nan 8.230 nan 0.000 0.437 176 A N 0.083 122.847 122.820 -0.094 0.000 1.902 176 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 176 A C 2.187 179.744 177.584 -0.045 0.000 1.181 176 A CA 1.581 53.526 52.037 -0.153 0.000 0.623 176 A CB -0.637 18.134 19.000 -0.382 0.000 0.818 176 A HN 0.329 nan 8.150 nan 0.000 0.443 177 L N -0.010 121.204 121.223 -0.014 0.000 2.046 177 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 177 L C 2.143 179.063 176.870 0.084 0.000 1.077 177 L CA 2.296 57.181 54.840 0.076 0.000 0.747 177 L CB -0.585 41.512 42.059 0.064 0.000 0.896 177 L HN 0.343 nan 8.230 nan 0.000 0.432 178 K N -0.427 119.994 120.400 0.035 0.000 2.097 178 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 178 K C 2.082 178.687 176.600 0.009 0.000 1.049 178 K CA 1.288 57.584 56.287 0.015 0.000 0.933 178 K CB -0.393 32.091 32.500 -0.028 0.000 0.717 178 K HN 0.508 nan 8.250 nan 0.000 0.442 179 A N 1.017 123.808 122.820 -0.049 0.000 1.877 179 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 179 A C 1.901 179.461 177.584 -0.039 0.000 1.186 179 A CA 1.289 53.264 52.037 -0.102 0.000 0.620 179 A CB -0.673 18.176 19.000 -0.251 0.000 0.822 179 A HN 0.175 nan 8.150 nan 0.000 0.443 180 F N 0.753 120.727 119.950 0.041 0.000 2.293 180 F HA -0.078 4.448 4.527 -0.001 0.000 0.300 180 F C 2.655 178.490 175.800 0.058 0.000 1.086 180 F CA 1.614 59.640 58.000 0.044 0.000 1.375 180 F CB -0.887 38.125 39.000 0.020 0.000 1.045 180 F HN 0.141 nan 8.300 nan 0.000 0.516 181 T N -2.126 112.567 114.554 0.233 0.000 2.821 181 T HA -0.208 4.142 4.350 -0.001 0.000 0.267 181 T C 1.731 176.538 174.700 0.178 0.000 1.046 181 T CA 1.587 63.788 62.100 0.168 0.000 1.139 181 T CB -0.389 68.552 68.868 0.123 0.000 0.871 181 T HN 0.258 nan 8.240 nan 0.000 0.454 182 H N 1.454 120.558 119.070 0.057 0.000 2.293 182 H HA -0.080 4.475 4.556 -0.001 0.000 0.300 182 H C 2.518 177.888 175.328 0.071 0.000 1.082 182 H CA 2.232 58.303 56.048 0.038 0.000 1.308 182 H CB -0.463 29.291 29.762 -0.012 0.000 1.375 182 H HN 0.425 nan 8.280 nan 0.000 0.495 183 T N -2.327 112.298 114.554 0.119 0.000 2.904 183 T HA 0.019 4.368 4.350 -0.001 0.000 0.267 183 T C 2.235 177.008 174.700 0.120 0.000 1.059 183 T CA 0.951 63.100 62.100 0.081 0.000 1.137 183 T CB -0.647 68.285 68.868 0.107 0.000 0.879 183 T HN 0.374 nan 8.240 nan 0.000 0.467 184 A N 1.749 124.649 122.820 0.134 0.000 1.898 184 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 184 A C 2.494 180.118 177.584 0.067 0.000 1.181 184 A CA 1.440 53.536 52.037 0.097 0.000 0.620 184 A CB -0.770 18.290 19.000 0.099 0.000 0.819 184 A HN 0.617 nan 8.150 nan 0.000 0.442 185 Q N -2.135 117.708 119.800 0.071 0.000 2.119 185 Q HA -0.187 4.153 4.340 -0.001 0.000 0.201 185 Q C 1.972 177.999 176.000 0.044 0.000 0.972 185 Q CA 1.619 57.453 55.803 0.050 0.000 0.847 185 Q CB -0.301 28.468 28.738 0.051 0.000 0.903 185 Q HN 0.809 nan 8.270 nan 0.000 0.433 186 Y N 1.949 122.186 120.300 -0.106 0.000 2.114 186 Y HA -0.232 4.318 4.550 -0.001 0.000 0.284 186 Y C 1.662 177.472 175.900 -0.150 0.000 1.143 186 Y CA 1.806 59.829 58.100 -0.129 0.000 1.135 186 Y CB -0.059 38.299 38.460 -0.170 0.000 0.980 186 Y HN 0.074 nan 8.280 nan 0.000 0.499 187 D N -0.444 119.919 120.400 -0.060 0.000 2.269 187 D HA -0.076 4.564 4.640 -0.001 0.000 0.208 187 D C 2.151 178.342 176.300 -0.183 0.000 0.963 187 D CA 1.067 54.956 54.000 -0.185 0.000 0.864 187 D CB -0.406 40.344 40.800 -0.083 0.000 0.936 187 D HN 0.446 nan 8.370 nan 0.000 0.505 188 A N 0.865 123.628 122.820 -0.096 0.000 1.898 188 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 188 A C 2.288 179.819 177.584 -0.089 0.000 1.181 188 A CA 1.940 53.937 52.037 -0.068 0.000 0.620 188 A CB -0.679 18.315 19.000 -0.011 0.000 0.819 188 A HN 0.224 nan 8.150 nan 0.000 0.442 189 A N -0.116 122.650 122.820 -0.090 0.000 1.902 189 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 189 A C 2.112 179.700 177.584 0.007 0.000 1.181 189 A CA 1.485 53.517 52.037 -0.007 0.000 0.623 189 A CB -0.581 18.450 19.000 0.051 0.000 0.818 189 A HN 0.497 nan 8.150 nan 0.000 0.443 190 I N -0.232 120.125 120.570 -0.356 0.000 2.202 190 I HA -0.213 3.957 4.170 -0.001 0.000 0.242 190 I C 2.635 178.613 176.117 -0.232 0.000 1.091 190 I CA 1.440 62.412 61.300 -0.548 0.000 1.368 190 I CB -0.296 37.139 38.000 -0.942 0.000 1.058 190 I HN 0.220 nan 8.210 nan 0.000 0.410 191 S N 0.209 115.757 115.700 -0.253 0.000 2.382 191 S HA -0.233 4.237 4.470 -0.001 0.000 0.228 191 S C 1.683 176.245 174.600 -0.063 0.000 1.027 191 S CA 1.652 59.748 58.200 -0.173 0.000 0.991 191 S CB -0.352 62.755 63.200 -0.154 0.000 0.823 191 S HN 0.472 nan 8.310 nan 0.000 0.469 192 D N 0.254 120.612 120.400 -0.071 0.000 2.117 192 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 192 D C 1.724 178.055 176.300 0.052 0.000 0.987 192 D CA 0.972 54.910 54.000 -0.104 0.000 0.829 192 D CB -0.275 40.468 40.800 -0.095 0.000 0.961 192 D HN 0.423 nan 8.370 nan 0.000 0.460 193 Y N -0.092 120.249 120.300 0.068 0.000 2.145 193 Y HA -0.158 4.392 4.550 -0.001 0.000 0.286 193 Y C 1.945 177.913 175.900 0.112 0.000 1.145 193 Y CA 1.449 59.629 58.100 0.132 0.000 1.148 193 Y CB -0.640 38.035 38.460 0.359 0.000 0.981 193 Y HN -0.091 nan 8.280 nan 0.000 0.507 194 F N 0.377 120.257 119.950 -0.117 0.000 2.171 194 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 194 F C 2.528 178.218 175.800 -0.184 0.000 1.090 194 F CA 1.536 59.398 58.000 -0.230 0.000 1.293 194 F CB -0.742 38.265 39.000 0.011 0.000 1.013 194 F HN -0.023 nan 8.300 nan 0.000 0.486 195 R N 0.260 120.798 120.500 0.063 0.000 2.073 195 R HA -0.156 4.184 4.340 -0.001 0.000 0.234 195 R C 2.152 178.415 176.300 -0.062 0.000 1.134 195 R CA 1.531 57.632 56.100 0.001 0.000 0.952 195 R CB -0.306 29.957 30.300 -0.062 0.000 0.850 195 R HN 0.259 nan 8.270 nan 0.000 0.433 196 K N 0.023 120.352 120.400 -0.119 0.000 2.148 196 K HA -0.099 4.221 4.320 -0.001 0.000 0.204 196 K C 1.884 178.350 176.600 -0.224 0.000 1.050 196 K CA 0.908 57.113 56.287 -0.136 0.000 0.942 196 K CB 0.131 32.568 32.500 -0.106 0.000 0.724 196 K HN 0.121 nan 8.250 nan 0.000 0.446 197 E N -0.366 119.572 120.200 -0.437 0.000 2.190 197 E HA -0.055 4.295 4.350 -0.001 0.000 0.191 197 E C 1.313 177.704 176.600 -0.348 0.000 0.978 197 E CA 1.100 57.159 56.400 -0.569 0.000 0.839 197 E CB 0.179 29.204 29.700 -1.125 0.000 0.787 197 E HN 0.364 nan 8.360 nan 0.000 0.473 198 Y N -0.868 119.309 120.300 -0.206 0.000 2.430 198 Y HA 0.288 4.838 4.550 -0.001 0.000 0.248 198 Y C 1.586 177.440 175.900 -0.078 0.000 1.108 198 Y CA -0.368 57.646 58.100 -0.144 0.000 1.264 198 Y CB 0.662 39.028 38.460 -0.156 0.000 1.172 198 Y HN -0.168 nan 8.280 nan 0.000 0.520 199 S N 0.127 115.876 115.700 0.081 0.000 2.741 199 S HA 0.158 4.628 4.470 -0.001 0.000 0.247 199 S C 0.112 174.723 174.600 0.017 0.000 1.050 199 S CA -0.531 57.700 58.200 0.052 0.000 1.025 199 S CB -0.280 62.958 63.200 0.063 0.000 0.897 199 S HN 0.179 nan 8.310 nan 0.000 0.508 200 K N 0.757 121.157 120.400 0.000 0.000 2.447 200 K HA 0.328 4.648 4.320 -0.001 0.000 0.281 200 K C 1.157 177.752 176.600 -0.009 0.000 1.031 200 K CA 1.257 57.538 56.287 -0.010 0.000 1.019 200 K CB -0.098 32.388 32.500 -0.023 0.000 0.918 200 K HN 0.348 nan 8.250 nan 0.000 0.476 201 G N 2.156 110.949 108.800 -0.012 0.000 2.179 201 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.260 201 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.260 201 G C 0.413 175.302 174.900 -0.019 0.000 0.977 201 G CA 0.345 45.433 45.100 -0.020 0.000 0.641 201 G HN 0.470 nan 8.290 nan 0.000 0.533 202 V N 0.431 120.340 119.914 -0.008 0.000 3.050 202 V HA 0.276 4.396 4.120 -0.001 0.000 0.223 202 V C 2.316 178.409 176.094 -0.002 0.000 1.162 202 V CA 2.218 64.514 62.300 -0.006 0.000 1.247 202 V CB 0.337 32.164 31.823 0.006 0.000 1.125 202 V HN 0.929 nan 8.190 nan 0.000 0.508 203 S N -1.309 114.403 115.700 0.020 0.000 2.559 203 S HA 0.253 4.723 4.470 -0.001 0.000 0.226 203 S C 0.436 175.078 174.600 0.070 0.000 1.000 203 S CA -0.146 58.078 58.200 0.040 0.000 0.948 203 S CB 0.428 63.663 63.200 0.059 0.000 0.870 203 S HN 0.439 nan 8.310 nan 0.000 0.497 204 Q N 0.655 120.484 119.800 0.049 0.000 2.359 204 Q HA 0.572 4.912 4.340 -0.001 0.000 0.274 204 Q C -2.258 173.760 176.000 0.031 0.000 1.074 204 Q CA -0.598 55.246 55.803 0.069 0.000 0.810 204 Q CB 2.333 31.097 28.738 0.043 0.000 1.342 204 Q HN 0.485 nan 8.270 nan 0.000 0.427 205 L N 5.461 126.705 121.223 0.036 0.000 2.406 205 L HA 0.510 4.849 4.340 -0.001 0.000 0.270 205 L C -2.501 174.378 176.870 0.015 0.000 0.982 205 L CA -1.621 53.221 54.840 0.003 0.000 0.843 205 L CB 2.443 44.485 42.059 -0.029 0.000 1.225 205 L HN 0.428 nan 8.230 nan 0.000 0.412 206 P HA 0.284 nan 4.420 nan 0.000 0.275 206 P C -1.175 176.125 177.300 0.000 0.000 1.227 206 P CA -0.034 63.074 63.100 0.014 0.000 0.781 206 P CB 0.772 32.474 31.700 0.003 0.000 0.906 207 L N 3.123 124.354 121.223 0.015 0.000 2.342 207 L HA 0.454 4.794 4.340 -0.001 0.000 0.271 207 L C 1.729 178.576 176.870 -0.038 0.000 1.008 207 L CA -0.852 53.979 54.840 -0.015 0.000 0.818 207 L CB 1.921 44.005 42.059 0.041 0.000 1.296 207 L HN 0.328 nan 8.230 nan 0.000 0.427 208 R N 1.388 121.806 120.500 -0.137 0.000 2.091 208 R HA -0.092 4.248 4.340 -0.001 0.000 0.238 208 R C -0.613 175.680 176.300 -0.012 0.000 1.136 208 R CA 1.631 57.651 56.100 -0.133 0.000 0.959 208 R CB -0.143 29.983 30.300 -0.289 0.000 0.856 208 R HN 0.623 nan 8.270 nan 0.000 0.437 209 Y N -4.227 116.091 120.300 0.030 0.000 2.779 209 Y HA 0.543 5.093 4.550 -0.001 0.000 0.340 209 Y C -0.209 175.670 175.900 -0.036 0.000 1.252 209 Y CA -1.439 56.651 58.100 -0.016 0.000 1.072 209 Y CB 0.155 38.593 38.460 -0.037 0.000 1.343 209 Y HN -0.067 nan 8.280 nan 0.000 0.450 213 P HA -0.185 nan 4.420 nan 0.000 0.217 213 P C 1.056 178.112 177.300 -0.407 0.000 1.151 213 P CA 1.589 64.069 63.100 -1.034 0.000 0.849 213 P CB -0.149 31.189 31.700 -0.604 0.000 0.787 214 H N -1.567 117.355 119.070 -0.247 0.000 2.556 214 H HA 0.115 4.670 4.556 -0.000 0.000 0.268 214 H C 0.124 175.405 175.328 -0.079 0.000 0.996 214 H CA 0.336 56.309 56.048 -0.125 0.000 1.157 214 H CB -0.631 29.076 29.762 -0.091 0.000 1.355 214 H HN 0.232 nan 8.280 nan 0.000 0.597 215 Q N 1.517 121.037 119.800 -0.467 0.000 2.465 215 Q HA 0.381 4.720 4.340 -0.001 0.000 0.237 215 Q C -0.754 175.183 176.000 -0.105 0.000 1.051 215 Q CA -0.397 55.219 55.803 -0.311 0.000 0.874 215 Q CB 1.502 29.996 28.738 -0.408 0.000 1.207 215 Q HN 0.184 nan 8.270 nan 0.000 0.508 216 S N 2.105 117.782 115.700 -0.038 0.000 2.569 216 S HA 0.731 5.201 4.470 -0.001 0.000 0.280 216 S C -2.324 172.286 174.600 0.017 0.000 1.111 216 S CA -1.104 57.110 58.200 0.023 0.000 0.887 216 S CB 1.083 64.320 63.200 0.061 0.000 1.095 216 S HN 0.516 nan 8.310 nan 0.000 0.476 217 P HA 0.820 nan 4.420 nan 0.000 0.284 217 P C -1.332 176.003 177.300 0.058 0.000 1.292 217 P CA -0.606 62.523 63.100 0.050 0.000 0.800 217 P CB 1.029 32.758 31.700 0.048 0.000 1.188 218 A N -0.176 122.696 122.820 0.085 0.000 2.587 218 A HA 0.682 5.002 4.320 -0.001 0.000 0.293 218 A C -1.284 176.391 177.584 0.151 0.000 1.087 218 A CA -0.508 51.612 52.037 0.138 0.000 0.692 218 A CB 1.877 20.975 19.000 0.164 0.000 1.291 218 A HN 0.808 nan 8.150 nan 0.000 0.407 219 Q N -0.324 119.594 119.800 0.197 0.000 2.702 219 Q HA 0.696 5.036 4.340 -0.001 0.000 0.289 219 Q C -2.137 173.937 176.000 0.124 0.000 0.923 219 Q CA -0.861 55.033 55.803 0.152 0.000 0.787 219 Q CB 1.362 30.202 28.738 0.170 0.000 1.476 219 Q HN 1.174 nan 8.270 nan 0.000 0.402 220 L N 2.122 123.382 121.223 0.062 0.000 2.365 220 L HA 0.810 5.150 4.340 -0.001 0.000 0.273 220 L C -1.751 175.159 176.870 0.066 0.000 1.000 220 L CA -0.317 54.498 54.840 -0.042 0.000 0.819 220 L CB 1.768 43.758 42.059 -0.115 0.000 1.284 220 L HN 0.759 nan 8.230 nan 0.000 0.418 221 Y N 0.953 121.231 120.300 -0.036 0.000 2.670 221 Y HA 0.825 5.375 4.550 -0.001 0.000 0.334 221 Y C -1.149 174.739 175.900 -0.021 0.000 1.185 221 Y CA -0.920 57.166 58.100 -0.024 0.000 1.053 221 Y CB 1.347 39.807 38.460 0.001 0.000 1.298 221 Y HN 0.665 nan 8.280 nan 0.000 0.459 222 T N -0.279 114.434 114.554 0.264 0.000 2.903 222 T HA 0.390 4.739 4.350 -0.001 0.000 0.299 222 T C 0.341 175.191 174.700 0.250 0.000 1.093 222 T CA -0.035 62.163 62.100 0.163 0.000 1.002 222 T CB 1.316 70.218 68.868 0.056 0.000 1.127 222 T HN 1.073 nan 8.240 nan 0.000 0.488 223 T N 0.877 115.550 114.554 0.198 0.000 3.129 223 T HA 0.309 4.659 4.350 -0.001 0.000 0.251 223 T C 0.829 175.588 174.700 0.099 0.000 1.117 223 T CA -0.054 62.136 62.100 0.151 0.000 1.034 223 T CB -0.101 68.847 68.868 0.133 0.000 0.968 223 T HN 0.462 nan 8.240 nan 0.000 0.526 224 R N 1.337 121.896 120.500 0.098 0.000 2.546 224 R HA 0.323 4.663 4.340 -0.001 0.000 0.266 224 R C -1.728 174.611 176.300 0.065 0.000 1.086 224 R CA -2.114 54.033 56.100 0.079 0.000 1.160 224 R CB -0.023 30.334 30.300 0.096 0.000 1.138 224 R HN -0.030 nan 8.270 nan 0.000 0.567 225 P HA -0.130 nan 4.420 nan 0.000 0.219 225 P C -0.426 176.894 177.300 0.033 0.000 1.146 225 P CA 1.481 64.605 63.100 0.041 0.000 0.808 225 P CB 0.328 32.047 31.700 0.032 0.000 0.779 226 K N -0.976 119.439 120.400 0.026 0.000 2.523 226 K HA 0.310 4.629 4.320 -0.001 0.000 0.257 226 K C -1.114 175.470 176.600 -0.026 0.000 0.932 226 K CA -0.787 55.502 56.287 0.002 0.000 0.812 226 K CB 1.241 33.737 32.500 -0.006 0.000 1.326 226 K HN -0.187 nan 8.250 nan 0.000 0.433 227 L N 4.951 126.140 121.223 -0.056 0.000 2.426 227 L HA 0.200 4.540 4.340 -0.001 0.000 0.271 227 L C -1.242 175.517 176.870 -0.184 0.000 1.169 227 L CA -1.217 53.547 54.840 -0.127 0.000 0.836 227 L CB 0.813 42.801 42.059 -0.118 0.000 1.112 227 L HN 0.646 nan 8.230 nan 0.000 0.465 228 P HA -0.016 nan 4.420 nan 0.000 0.240 228 P C -0.128 176.972 177.300 -0.333 0.000 1.190 228 P CA 0.338 63.222 63.100 -0.359 0.000 0.781 228 P CB 0.455 31.712 31.700 -0.740 0.000 0.931 229 L N 1.625 122.656 121.223 -0.319 0.000 2.287 229 L HA 0.442 4.782 4.340 -0.001 0.000 0.287 229 L C -0.198 176.561 176.870 -0.185 0.000 1.022 229 L CA -0.313 54.362 54.840 -0.275 0.000 0.814 229 L CB 1.304 43.191 42.059 -0.288 0.000 1.217 229 L HN -0.140 nan 8.230 nan 0.000 0.420 230 T N 1.816 116.280 114.554 -0.150 0.000 2.885 230 T HA 0.691 5.041 4.350 -0.001 0.000 0.285 230 T C -0.440 174.209 174.700 -0.086 0.000 1.019 230 T CA -0.836 61.202 62.100 -0.103 0.000 1.010 230 T CB 1.565 70.385 68.868 -0.082 0.000 1.022 230 T HN 0.273 nan 8.240 nan 0.000 0.466 231 V N 3.503 123.371 119.914 -0.076 0.000 2.385 231 V HA 0.196 4.315 4.120 -0.001 0.000 0.269 231 V C 1.079 177.129 176.094 -0.075 0.000 1.043 231 V CA -0.399 61.856 62.300 -0.074 0.000 0.906 231 V CB 0.907 32.688 31.823 -0.070 0.000 0.995 231 V HN 0.930 nan 8.190 nan 0.000 0.467 232 V N 3.878 123.736 119.914 -0.094 0.000 2.949 232 V HA 0.174 4.293 4.120 -0.001 0.000 0.245 232 V C 0.647 176.667 176.094 -0.122 0.000 1.086 232 V CA 0.830 63.063 62.300 -0.112 0.000 1.097 232 V CB -0.172 31.551 31.823 -0.167 0.000 0.762 232 V HN 0.921 nan 8.190 nan 0.000 0.470 233 N N -1.747 116.873 118.700 -0.134 0.000 2.591 233 N HA 0.541 5.280 4.740 -0.001 0.000 0.263 233 N C -0.129 175.319 175.510 -0.104 0.000 1.308 233 N CA 0.617 53.601 53.050 -0.110 0.000 0.837 233 N CB 1.945 40.361 38.487 -0.117 0.000 1.548 233 N HN 0.401 nan 8.380 nan 0.000 0.493 234 G N 0.448 109.205 108.800 -0.071 0.000 2.645 234 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.246 234 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.246 234 G C -1.241 173.622 174.900 -0.061 0.000 1.322 234 G CA -0.027 45.035 45.100 -0.064 0.000 0.898 234 G HN 0.898 nan 8.290 nan 0.000 0.573 235 S N 2.052 117.718 115.700 -0.057 0.000 2.776 235 S HA 0.612 5.082 4.470 -0.001 0.000 0.284 235 S C -2.317 172.249 174.600 -0.056 0.000 1.160 235 S CA -0.348 57.819 58.200 -0.055 0.000 1.051 235 S CB 2.510 65.680 63.200 -0.049 0.000 1.037 235 S HN 0.852 nan 8.310 nan 0.000 0.485 236 P HA 0.353 nan 4.420 nan 0.000 0.275 236 P C 0.197 177.449 177.300 -0.080 0.000 1.227 236 P CA -0.103 62.965 63.100 -0.053 0.000 0.781 236 P CB 0.753 32.408 31.700 -0.076 0.000 0.906 237 G N 0.771 109.527 108.800 -0.072 0.000 2.552 237 G HA2 0.265 4.225 3.960 -0.001 0.000 0.318 237 G HA3 0.265 4.225 3.960 -0.001 0.000 0.318 237 G C 0.181 175.060 174.900 -0.034 0.000 1.240 237 G CA -0.766 44.284 45.100 -0.083 0.000 1.002 237 G HN 0.407 nan 8.290 nan 0.000 0.493 238 F N -0.100 119.780 119.950 -0.117 0.000 2.069 238 F HA -0.084 4.443 4.527 -0.001 0.000 0.298 238 F C 2.483 178.248 175.800 -0.058 0.000 1.113 238 F CA 1.619 59.579 58.000 -0.067 0.000 1.214 238 F CB -0.019 38.974 39.000 -0.012 0.000 0.978 238 F HN 0.246 nan 8.300 nan 0.000 0.474 239 I N 0.016 120.732 120.570 0.243 0.000 2.394 239 I HA -0.297 3.873 4.170 -0.001 0.000 0.251 239 I C 1.935 178.013 176.117 -0.064 0.000 1.136 239 I CA 1.350 62.727 61.300 0.129 0.000 1.425 239 I CB -0.722 37.378 38.000 0.166 0.000 1.079 239 I HN 0.251 nan 8.210 nan 0.000 0.425 240 N N 0.916 119.551 118.700 -0.108 0.000 2.104 240 N HA -0.187 4.553 4.740 -0.001 0.000 0.190 240 N C 1.904 177.035 175.510 -0.631 0.000 1.024 240 N CA 1.130 53.992 53.050 -0.313 0.000 0.853 240 N CB -0.074 38.323 38.487 -0.151 0.000 1.008 240 N HN 0.276 nan 8.380 nan 0.000 0.424 241 L N 0.135 121.099 121.223 -0.432 0.000 2.109 241 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 241 L C 2.358 178.999 176.870 -0.383 0.000 1.086 241 L CA 0.575 55.150 54.840 -0.441 0.000 0.760 241 L CB -0.377 41.450 42.059 -0.386 0.000 0.910 241 L HN 0.376 nan 8.230 nan 0.000 0.437 242 C N -0.182 118.931 119.300 -0.311 0.000 2.429 242 C HA -0.159 4.300 4.460 -0.001 0.000 0.277 242 C C 2.478 177.396 174.990 -0.119 0.000 1.262 242 C CA 0.552 59.468 59.018 -0.171 0.000 1.733 242 C CB -0.688 27.020 27.740 -0.053 0.000 2.010 242 C HN 0.545 nan 8.230 nan 0.000 0.483 243 D N 0.829 121.130 120.400 -0.165 0.000 2.084 243 D HA -0.074 4.566 4.640 -0.001 0.000 0.196 243 D C 2.358 178.403 176.300 -0.425 0.000 0.985 243 D CA 1.728 55.652 54.000 -0.125 0.000 0.826 243 D CB -0.579 40.197 40.800 -0.039 0.000 0.978 243 D HN 0.465 nan 8.370 nan 0.000 0.456 244 A N 1.123 123.547 122.820 -0.661 0.000 1.892 244 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 244 A C 2.465 179.882 177.584 -0.278 0.000 1.188 244 A CA 1.195 52.906 52.037 -0.544 0.000 0.631 244 A CB -0.947 17.610 19.000 -0.739 0.000 0.822 244 A HN 0.216 nan 8.150 nan 0.000 0.447 245 L N -0.464 120.607 121.223 -0.253 0.000 2.141 245 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 245 L C 2.321 179.114 176.870 -0.128 0.000 1.094 245 L CA 1.100 55.865 54.840 -0.124 0.000 0.763 245 L CB -0.548 41.442 42.059 -0.116 0.000 0.908 245 L HN 0.438 nan 8.230 nan 0.000 0.437 246 N N 0.026 118.595 118.700 -0.219 0.000 2.290 246 N HA -0.049 4.690 4.740 -0.001 0.000 0.179 246 N C 1.931 177.048 175.510 -0.655 0.000 1.016 246 N CA 1.271 54.161 53.050 -0.266 0.000 0.871 246 N CB 0.030 38.574 38.487 0.094 0.000 0.987 246 N HN 0.255 nan 8.380 nan 0.000 0.431 247 A N 1.502 123.732 122.820 -0.983 0.000 1.933 247 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 247 A C 2.007 179.360 177.584 -0.384 0.000 1.175 247 A CA 0.871 52.310 52.037 -0.996 0.000 0.628 247 A CB -1.082 17.383 19.000 -0.892 0.000 0.814 247 A HN 0.601 nan 8.150 nan 0.000 0.444 248 W N 0.754 121.830 121.300 -0.374 0.000 2.358 248 W HA -0.224 4.435 4.660 -0.001 0.000 0.303 248 W C 1.974 178.337 176.519 -0.259 0.000 1.208 248 W CA 1.893 59.098 57.345 -0.235 0.000 1.274 248 W CB -0.287 29.068 29.460 -0.175 0.000 1.138 248 W HN 0.509 nan 8.180 nan 0.000 0.515 249 Q N 0.670 120.128 119.800 -0.571 0.000 2.084 249 Q HA -0.238 4.101 4.340 -0.001 0.000 0.202 249 Q C 2.502 178.050 176.000 -0.753 0.000 0.978 249 Q CA 1.850 57.229 55.803 -0.708 0.000 0.844 249 Q CB -0.586 27.729 28.738 -0.705 0.000 0.898 249 Q HN 0.390 nan 8.270 nan 0.000 0.426 250 L N 0.750 121.485 121.223 -0.813 0.000 1.989 250 L HA -0.200 4.140 4.340 -0.001 0.000 0.211 250 L C 2.405 179.122 176.870 -0.256 0.000 1.071 250 L CA 1.566 56.172 54.840 -0.390 0.000 0.749 250 L CB -0.341 41.644 42.059 -0.123 0.000 0.890 250 L HN 0.240 nan 8.230 nan 0.000 0.431 251 V N -2.473 117.255 119.914 -0.311 0.000 2.515 251 V HA -0.255 3.865 4.120 -0.001 0.000 0.250 251 V C 2.492 178.342 176.094 -0.407 0.000 1.058 251 V CA 2.021 64.159 62.300 -0.269 0.000 1.064 251 V CB -0.907 30.803 31.823 -0.188 0.000 0.675 251 V HN 0.515 nan 8.190 nan 0.000 0.461 252 K N 0.530 120.496 120.400 -0.724 0.000 2.057 252 K HA -0.205 4.115 4.320 -0.001 0.000 0.207 252 K C 2.203 178.597 176.600 -0.343 0.000 1.049 252 K CA 2.061 57.933 56.287 -0.692 0.000 0.931 252 K CB -0.223 31.688 32.500 -0.982 0.000 0.714 252 K HN 0.670 nan 8.250 nan 0.000 0.440 253 E N 0.595 120.628 120.200 -0.278 0.000 2.106 253 E HA -0.144 4.206 4.350 -0.001 0.000 0.192 253 E C 2.105 178.651 176.600 -0.091 0.000 0.984 253 E CA 0.808 57.129 56.400 -0.132 0.000 0.806 253 E CB 0.010 29.682 29.700 -0.046 0.000 0.750 253 E HN 0.291 nan 8.360 nan 0.000 0.458 254 L N 1.077 122.244 121.223 -0.093 0.000 2.046 254 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 254 L C 2.635 179.473 176.870 -0.054 0.000 1.077 254 L CA 1.315 56.126 54.840 -0.049 0.000 0.747 254 L CB -0.215 41.825 42.059 -0.032 0.000 0.896 254 L HN 0.064 nan 8.230 nan 0.000 0.432 255 K N -0.310 120.039 120.400 -0.085 0.000 2.097 255 K HA -0.213 4.107 4.320 -0.001 0.000 0.205 255 K C 2.041 178.607 176.600 -0.056 0.000 1.050 255 K CA 1.343 57.590 56.287 -0.065 0.000 0.938 255 K CB 0.027 32.477 32.500 -0.083 0.000 0.718 255 K HN 0.377 nan 8.250 nan 0.000 0.442 256 Q N -0.325 119.431 119.800 -0.072 0.000 2.119 256 Q HA -0.111 4.229 4.340 -0.001 0.000 0.201 256 Q C 2.071 178.044 176.000 -0.044 0.000 0.972 256 Q CA 1.409 57.178 55.803 -0.056 0.000 0.847 256 Q CB -0.062 28.637 28.738 -0.066 0.000 0.903 256 Q HN 0.415 nan 8.270 nan 0.000 0.433 257 A N 0.339 123.132 122.820 -0.044 0.000 1.930 257 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 257 A C 1.777 179.348 177.584 -0.023 0.000 1.176 257 A CA 0.944 52.959 52.037 -0.036 0.000 0.632 257 A CB -0.047 18.932 19.000 -0.034 0.000 0.819 257 A HN 0.278 nan 8.150 nan 0.000 0.445 258 L N -2.151 119.063 121.223 -0.016 0.000 2.817 258 L HA 0.311 4.651 4.340 -0.001 0.000 0.248 258 L C 1.505 178.371 176.870 -0.006 0.000 1.133 258 L CA 0.418 55.254 54.840 -0.006 0.000 0.935 258 L CB 0.236 42.296 42.059 0.003 0.000 1.266 258 L HN 0.489 nan 8.230 nan 0.000 0.535 259 G N 1.678 110.471 108.800 -0.012 0.000 2.179 259 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.257 259 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.257 259 G C 0.091 174.990 174.900 -0.001 0.000 1.010 259 G CA 0.371 45.467 45.100 -0.008 0.000 0.736 259 G HN 0.328 nan 8.290 nan 0.000 0.513 260 I N 0.227 120.797 120.570 0.001 0.000 2.509 260 I HA 0.330 4.500 4.170 -0.001 0.000 0.293 260 I C -2.186 173.937 176.117 0.010 0.000 1.020 260 I CA -2.755 58.551 61.300 0.010 0.000 1.088 260 I CB 2.233 40.242 38.000 0.017 0.000 1.267 260 I HN -0.209 nan 8.210 nan 0.000 0.430 261 P HA 0.021 nan 4.420 nan 0.000 0.263 261 P C -0.917 176.401 177.300 0.030 0.000 1.175 261 P CA 0.250 63.363 63.100 0.022 0.000 0.761 261 P CB 0.524 32.244 31.700 0.033 0.000 0.794 262 A N 2.297 125.131 122.820 0.023 0.000 2.423 262 A HA 0.894 5.213 4.320 -0.001 0.000 0.304 262 A C -1.037 176.585 177.584 0.063 0.000 1.104 262 A CA -0.322 51.735 52.037 0.033 0.000 0.757 262 A CB 1.870 20.868 19.000 -0.003 0.000 1.313 262 A HN 0.539 nan 8.150 nan 0.000 0.423 263 A N -0.480 122.401 122.820 0.103 0.000 2.594 263 A HA 1.005 5.325 4.320 -0.001 0.000 0.291 263 A C -0.533 177.168 177.584 0.195 0.000 1.105 263 A CA -0.056 52.083 52.037 0.171 0.000 0.694 263 A CB 1.354 20.518 19.000 0.273 0.000 1.291 263 A HN 2.623 nan 8.150 nan 0.000 0.410 264 A N -0.257 122.722 122.820 0.264 0.000 2.572 264 A HA 0.828 5.148 4.320 -0.001 0.000 0.295 264 A C -0.632 177.206 177.584 0.422 0.000 1.072 264 A CA 0.137 52.366 52.037 0.319 0.000 0.691 264 A CB 1.434 20.641 19.000 0.345 0.000 1.291 264 A HN 1.979 nan 8.150 nan 0.000 0.404 265 S N 0.928 116.881 115.700 0.423 0.000 2.640 265 S HA 0.747 5.217 4.470 -0.001 0.000 0.320 265 S C -1.500 173.370 174.600 0.450 0.000 1.097 265 S CA -0.277 58.178 58.200 0.425 0.000 1.092 265 S CB -0.129 63.240 63.200 0.281 0.000 0.988 265 S HN 0.479 nan 8.310 nan 0.000 0.470 266 F N 3.204 123.290 119.950 0.226 0.000 2.458 266 F HA 0.777 5.304 4.527 -0.001 0.000 0.330 266 F C 0.178 176.096 175.800 0.197 0.000 1.082 266 F CA -0.718 57.404 58.000 0.204 0.000 0.995 266 F CB 2.034 41.155 39.000 0.201 0.000 1.170 266 F HN 0.509 nan 8.300 nan 0.000 0.478 267 K N 1.325 121.865 120.400 0.234 0.000 2.565 267 K HA 0.322 4.642 4.320 -0.001 0.000 0.251 267 K C -0.802 175.917 176.600 0.199 0.000 0.956 267 K CA -0.416 55.984 56.287 0.188 0.000 0.809 267 K CB 0.381 32.993 32.500 0.187 0.000 1.267 267 K HN 0.582 nan 8.250 nan 0.000 0.438 268 H N 3.160 122.340 119.070 0.184 0.000 2.692 268 H HA -0.138 4.417 4.556 -0.001 0.000 0.316 268 H C -0.212 175.211 175.328 0.159 0.000 1.176 268 H CA 1.191 57.333 56.048 0.156 0.000 1.142 268 H CB -1.367 28.467 29.762 0.120 0.000 1.475 268 H HN 0.668 nan 8.280 nan 0.000 0.423 269 V N -1.587 118.507 119.914 0.300 0.000 4.112 269 V HA -0.315 3.805 4.120 -0.001 0.000 0.233 269 V C 0.693 176.960 176.094 0.288 0.000 0.458 269 V CA 1.655 64.178 62.300 0.372 0.000 0.909 269 V CB -1.808 30.185 31.823 0.283 0.000 0.963 269 V HN 0.601 nan 8.190 nan 0.000 1.260 270 S N 0.121 115.800 115.700 -0.036 0.000 2.564 270 S HA 0.686 5.156 4.470 -0.001 0.000 0.274 270 S C -2.762 171.251 174.600 -0.977 0.000 1.124 270 S CA -0.901 57.087 58.200 -0.353 0.000 0.869 270 S CB 3.300 66.448 63.200 -0.087 0.000 1.105 270 S HN 0.277 nan 8.310 nan 0.000 0.472 271 P HA 0.300 nan 4.420 nan 0.000 0.280 271 P C -0.210 176.933 177.300 -0.261 0.000 1.244 271 P CA -0.261 62.340 63.100 -0.831 0.000 0.784 271 P CB 1.176 32.642 31.700 -0.389 0.000 0.913 272 A N 3.016 125.778 122.820 -0.097 0.000 2.030 272 A HA 0.453 4.773 4.320 -0.001 0.000 0.215 272 A C 1.052 178.656 177.584 0.033 0.000 1.164 272 A CA 1.252 53.298 52.037 0.015 0.000 0.697 272 A CB -0.524 18.527 19.000 0.085 0.000 0.827 272 A HN 0.690 nan 8.150 nan 0.000 0.457 273 G N -2.777 106.050 108.800 0.044 0.000 2.601 273 G HA2 0.673 4.633 3.960 -0.001 0.000 0.291 273 G HA3 0.673 4.633 3.960 -0.001 0.000 0.291 273 G C -1.289 173.667 174.900 0.093 0.000 1.456 273 G CA 0.162 45.292 45.100 0.050 0.000 0.804 273 G HN 1.257 nan 8.290 nan 0.000 0.499 274 A N -1.019 121.847 122.820 0.076 0.000 2.605 274 A HA 1.141 5.460 4.320 -0.001 0.000 0.294 274 A C -0.439 177.185 177.584 0.067 0.000 1.062 274 A CA 0.318 52.419 52.037 0.107 0.000 0.682 274 A CB 1.311 20.390 19.000 0.131 0.000 1.278 274 A HN 2.697 nan 8.150 nan 0.000 0.410 275 A N -0.172 122.692 122.820 0.075 0.000 2.567 275 A HA 0.773 5.093 4.320 -0.001 0.000 0.291 275 A C -0.692 176.928 177.584 0.059 0.000 1.048 275 A CA 0.078 52.148 52.037 0.056 0.000 0.661 275 A CB 0.161 19.192 19.000 0.052 0.000 1.288 275 A HN 2.324 nan 8.150 nan 0.000 0.424 276 V N -1.131 118.813 119.914 0.049 0.000 2.834 276 V HA 0.839 4.958 4.120 -0.001 0.000 0.313 276 V C 0.922 177.051 176.094 0.058 0.000 1.060 276 V CA -0.095 62.233 62.300 0.046 0.000 0.989 276 V CB 1.443 33.284 31.823 0.031 0.000 1.041 276 V HN 1.925 nan 8.190 nan 0.000 0.459 277 G N 3.012 111.847 108.800 0.058 0.000 3.084 277 G HA2 0.248 4.207 3.960 -0.001 0.000 0.254 277 G HA3 0.248 4.207 3.960 -0.001 0.000 0.254 277 G C 0.164 175.104 174.900 0.067 0.000 0.834 277 G CA -0.217 44.923 45.100 0.067 0.000 1.999 277 G HN 0.487 nan 8.290 nan 0.000 0.611 278 I N 1.315 121.928 120.570 0.073 0.000 2.496 278 I HA 0.185 4.354 4.170 -0.001 0.000 0.285 278 I C -1.914 174.263 176.117 0.099 0.000 1.080 278 I CA -3.258 58.089 61.300 0.077 0.000 1.404 278 I CB 0.954 39.001 38.000 0.078 0.000 1.403 278 I HN 0.063 nan 8.210 nan 0.000 0.539 279 P HA 0.067 nan 4.420 nan 0.000 0.264 279 P C -0.527 176.871 177.300 0.164 0.000 1.183 279 P CA -0.206 62.967 63.100 0.122 0.000 0.763 279 P CB 0.421 32.179 31.700 0.096 0.000 0.807 280 L N 2.341 123.694 121.223 0.218 0.000 2.350 280 L HA 0.278 4.618 4.340 -0.001 0.000 0.275 280 L C 1.035 178.065 176.870 0.266 0.000 1.099 280 L CA 0.341 55.305 54.840 0.206 0.000 0.808 280 L CB 0.517 42.645 42.059 0.115 0.000 1.149 280 L HN 0.398 nan 8.230 nan 0.000 0.442 281 S N 0.750 116.554 115.700 0.173 0.000 2.624 281 S HA 0.160 4.629 4.470 -0.001 0.000 0.263 281 S C 0.979 175.614 174.600 0.057 0.000 1.287 281 S CA -0.392 57.916 58.200 0.179 0.000 0.990 281 S CB 0.617 63.916 63.200 0.166 0.000 0.950 281 S HN 0.716 nan 8.310 nan 0.000 0.561 282 E N 0.365 120.653 120.200 0.146 0.000 2.110 282 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 282 E C 1.964 178.591 176.600 0.045 0.000 0.988 282 E CA 1.416 57.859 56.400 0.070 0.000 0.804 282 E CB -0.140 29.693 29.700 0.221 0.000 0.745 282 E HN 0.879 nan 8.360 nan 0.000 0.458 283 E N 0.360 120.598 120.200 0.065 0.000 2.072 283 E HA -0.249 4.100 4.350 -0.001 0.000 0.191 283 E C 1.932 178.521 176.600 -0.019 0.000 0.985 283 E CA 1.281 57.702 56.400 0.035 0.000 0.801 283 E CB -0.018 29.738 29.700 0.093 0.000 0.750 283 E HN 0.066 nan 8.360 nan 0.000 0.452 284 E N 0.459 120.679 120.200 0.033 0.000 2.150 284 E HA -0.090 4.260 4.350 -0.001 0.000 0.193 284 E C 1.716 178.288 176.600 -0.046 0.000 0.985 284 E CA 1.267 57.693 56.400 0.043 0.000 0.814 284 E CB -0.275 29.530 29.700 0.176 0.000 0.752 284 E HN 0.393 nan 8.360 nan 0.000 0.466 285 A N 0.311 123.039 122.820 -0.152 0.000 1.933 285 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 285 A C 2.102 179.654 177.584 -0.053 0.000 1.175 285 A CA 1.652 53.569 52.037 -0.200 0.000 0.628 285 A CB -0.487 18.165 19.000 -0.580 0.000 0.814 285 A HN 0.326 nan 8.150 nan 0.000 0.444 286 Q N -0.546 119.239 119.800 -0.026 0.000 2.046 286 Q HA -0.111 4.229 4.340 -0.001 0.000 0.200 286 Q C 2.157 178.091 176.000 -0.110 0.000 0.975 286 Q CA 1.627 57.397 55.803 -0.056 0.000 0.836 286 Q CB -0.370 28.297 28.738 -0.118 0.000 0.896 286 Q HN 0.481 nan 8.270 nan 0.000 0.428 287 V N 0.661 120.468 119.914 -0.179 0.000 2.392 287 V HA -0.246 3.874 4.120 -0.001 0.000 0.249 287 V C 1.497 177.529 176.094 -0.103 0.000 1.059 287 V CA 0.869 63.023 62.300 -0.243 0.000 1.051 287 V CB -0.335 31.174 31.823 -0.523 0.000 0.658 287 V HN 0.399 nan 8.190 nan 0.000 0.455 291 H N 3.157 122.209 119.070 -0.031 0.000 2.421 291 H HA -0.129 4.427 4.556 -0.001 0.000 0.298 291 H C 1.762 177.117 175.328 0.046 0.000 1.087 291 H CA 2.492 58.529 56.048 -0.018 0.000 1.330 291 H CB 0.244 29.981 29.762 -0.042 0.000 1.388 291 H HN 0.838 nan 8.280 nan 0.000 0.526 292 D N 0.219 120.683 120.400 0.107 0.000 2.312 292 D HA -0.101 4.538 4.640 -0.001 0.000 0.211 292 D C 1.797 178.112 176.300 0.025 0.000 0.964 292 D CA 0.419 54.459 54.000 0.067 0.000 0.877 292 D CB -0.378 40.463 40.800 0.069 0.000 0.924 292 D HN 0.429 nan 8.370 nan 0.000 0.515 293 L N -0.801 120.442 121.223 0.033 0.000 2.766 293 L HA 0.163 4.502 4.340 -0.001 0.000 0.242 293 L C 2.236 179.146 176.870 0.067 0.000 1.136 293 L CA -0.346 54.518 54.840 0.039 0.000 0.933 293 L CB -0.302 41.786 42.059 0.047 0.000 1.241 293 L HN 0.052 nan 8.230 nan 0.000 0.522 294 H N 1.680 120.700 119.070 -0.083 0.000 2.272 294 H HA -0.237 4.318 4.556 -0.001 0.000 0.289 294 H C 1.646 176.941 175.328 -0.055 0.000 1.100 294 H CA 1.608 57.605 56.048 -0.086 0.000 1.209 294 H CB 0.473 30.120 29.762 -0.192 0.000 1.348 294 H HN 0.106 nan 8.280 nan 0.000 0.481 295 K N -0.044 120.286 120.400 -0.118 0.000 2.360 295 K HA -0.081 4.239 4.320 -0.001 0.000 0.201 295 K C 2.018 178.567 176.600 -0.085 0.000 1.046 295 K CA 1.426 57.611 56.287 -0.170 0.000 0.945 295 K CB -0.188 32.241 32.500 -0.119 0.000 0.750 295 K HN 0.586 nan 8.250 nan 0.000 0.464 296 T N -2.190 112.345 114.554 -0.031 0.000 3.044 296 T HA 0.173 4.522 4.350 -0.001 0.000 0.250 296 T C 0.909 175.616 174.700 0.012 0.000 1.081 296 T CA -0.276 61.819 62.100 -0.008 0.000 1.040 296 T CB -0.049 68.823 68.868 0.006 0.000 0.962 296 T HN -0.063 nan 8.240 nan 0.000 0.506 297 L N 3.985 125.224 121.223 0.028 0.000 2.513 297 L HA 0.268 4.608 4.340 -0.001 0.000 0.272 297 L C 1.155 178.051 176.870 0.044 0.000 1.187 297 L CA -0.417 54.458 54.840 0.059 0.000 0.895 297 L CB 0.142 42.268 42.059 0.111 0.000 1.147 297 L HN 0.373 nan 8.230 nan 0.000 0.483 298 T N 0.195 114.779 114.554 0.049 0.000 2.849 298 T HA 0.325 4.675 4.350 -0.001 0.000 0.276 298 T C -1.892 172.842 174.700 0.056 0.000 0.971 298 T CA -1.837 60.288 62.100 0.042 0.000 0.949 298 T CB 1.366 70.256 68.868 0.037 0.000 1.093 298 T HN 0.265 nan 8.240 nan 0.000 0.545 299 P HA -0.045 nan 4.420 nan 0.000 0.215 299 P C 1.709 179.051 177.300 0.069 0.000 1.153 299 P CA 0.370 63.503 63.100 0.056 0.000 0.853 299 P CB -0.066 31.659 31.700 0.042 0.000 0.788 300 L N -0.303 120.958 121.223 0.064 0.000 2.017 300 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 300 L C 2.212 179.151 176.870 0.114 0.000 1.073 300 L CA 2.094 56.981 54.840 0.078 0.000 0.745 300 L CB -1.535 40.559 42.059 0.057 0.000 0.894 300 L HN -0.126 nan 8.230 nan 0.000 0.432 301 A N -1.556 121.329 122.820 0.107 0.000 1.933 301 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 301 A C 2.376 180.051 177.584 0.152 0.000 1.175 301 A CA 1.934 54.055 52.037 0.139 0.000 0.628 301 A CB -0.895 18.169 19.000 0.107 0.000 0.814 301 A HN 0.536 nan 8.150 nan 0.000 0.444 302 S N -0.080 115.694 115.700 0.123 0.000 2.368 302 S HA -0.036 4.433 4.470 -0.001 0.000 0.225 302 S C 2.319 176.988 174.600 0.116 0.000 1.030 302 S CA 1.137 59.409 58.200 0.120 0.000 0.999 302 S CB -0.475 62.792 63.200 0.112 0.000 0.844 302 S HN 0.804 nan 8.310 nan 0.000 0.459 303 A N 0.561 123.453 122.820 0.121 0.000 1.908 303 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 303 A C 2.005 179.676 177.584 0.144 0.000 1.181 303 A CA 1.698 53.807 52.037 0.120 0.000 0.627 303 A CB -0.927 18.143 19.000 0.116 0.000 0.818 303 A HN 0.573 nan 8.150 nan 0.000 0.445 304 Y N 0.500 120.847 120.300 0.078 0.000 2.263 304 Y HA 0.045 4.595 4.550 -0.001 0.000 0.292 304 Y C 2.632 178.587 175.900 0.092 0.000 1.130 304 Y CA 0.728 58.879 58.100 0.084 0.000 1.179 304 Y CB -0.630 37.875 38.460 0.075 0.000 0.998 304 Y HN 0.309 nan 8.280 nan 0.000 0.532 305 A N 0.670 123.465 122.820 -0.042 0.000 1.908 305 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 305 A C 2.350 179.887 177.584 -0.078 0.000 1.181 305 A CA 2.008 53.996 52.037 -0.082 0.000 0.627 305 A CB -0.608 18.417 19.000 0.043 0.000 0.818 305 A HN 0.518 nan 8.150 nan 0.000 0.445 306 R N -0.460 120.041 120.500 0.002 0.000 2.092 306 R HA -0.039 4.300 4.340 -0.001 0.000 0.231 306 R C 2.504 178.808 176.300 0.007 0.000 1.119 306 R CA 1.375 57.511 56.100 0.059 0.000 0.970 306 R CB -0.305 30.050 30.300 0.092 0.000 0.864 306 R HN 0.519 nan 8.270 nan 0.000 0.440 307 S N 0.556 116.219 115.700 -0.061 0.000 2.368 307 S HA -0.123 4.347 4.470 -0.001 0.000 0.224 307 S C 1.845 176.382 174.600 -0.105 0.000 1.029 307 S CA 1.006 59.178 58.200 -0.047 0.000 0.988 307 S CB -0.128 63.085 63.200 0.022 0.000 0.838 307 S HN 0.301 nan 8.310 nan 0.000 0.462 308 R N 0.700 121.004 120.500 -0.327 0.000 2.193 308 R HA 0.005 4.345 4.340 -0.001 0.000 0.213 308 R C 2.195 178.468 176.300 -0.045 0.000 1.055 308 R CA 0.812 56.773 56.100 -0.231 0.000 0.995 308 R CB -0.375 29.656 30.300 -0.448 0.000 0.893 308 R HN 0.443 nan 8.270 nan 0.000 0.459 309 G N -0.240 108.558 108.800 -0.004 0.000 2.484 309 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.218 309 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.218 309 G C 1.409 176.465 174.900 0.261 0.000 1.130 309 G CA 0.536 45.715 45.100 0.131 0.000 0.784 309 G HN 0.387 nan 8.290 nan 0.000 0.543 310 A N -0.086 122.845 122.820 0.184 0.000 1.873 310 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 310 A C 1.214 178.945 177.584 0.244 0.000 1.193 310 A CA 1.762 53.904 52.037 0.176 0.000 0.629 310 A CB -0.070 18.956 19.000 0.043 0.000 0.826 310 A HN 0.314 nan 8.150 nan 0.000 0.447 311 D N -1.285 119.219 120.400 0.174 0.000 2.365 311 D HA 0.202 4.842 4.640 -0.001 0.000 0.235 311 D C -0.431 175.958 176.300 0.148 0.000 1.368 311 D CA -0.483 53.618 54.000 0.168 0.000 1.001 311 D CB 0.554 41.439 40.800 0.141 0.000 1.364 311 D HN 0.107 nan 8.370 nan 0.000 0.577 315 S N 1.247 117.067 115.700 0.200 0.000 2.561 315 S HA 0.305 4.774 4.470 -0.001 0.000 0.225 315 S C 0.176 174.910 174.600 0.224 0.000 0.977 315 S CA -0.111 58.208 58.200 0.199 0.000 0.926 315 S CB -0.243 63.048 63.200 0.152 0.000 0.769 315 S HN 0.477 nan 8.310 nan 0.000 0.533 316 F N 2.652 122.669 119.950 0.113 0.000 2.557 316 F HA 0.362 4.888 4.527 -0.001 0.000 0.384 316 F C 1.344 177.215 175.800 0.118 0.000 1.057 316 F CA 0.568 58.631 58.000 0.105 0.000 1.169 316 F CB -0.075 38.980 39.000 0.091 0.000 1.070 316 F HN 0.262 nan 8.300 nan 0.000 0.554 317 G N 3.777 112.506 108.800 -0.118 0.000 2.198 317 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.257 317 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.257 317 G C -0.276 174.694 174.900 0.116 0.000 1.042 317 G CA 0.093 45.201 45.100 0.013 0.000 0.791 317 G HN 0.952 nan 8.290 nan 0.000 0.502 318 D N -0.800 119.681 120.400 0.135 0.000 2.360 318 D HA 0.494 5.134 4.640 -0.001 0.000 0.242 318 D C -0.099 176.322 176.300 0.201 0.000 1.184 318 D CA -0.873 53.253 54.000 0.211 0.000 0.930 318 D CB 0.817 41.767 40.800 0.249 0.000 1.161 318 D HN 0.099 nan 8.370 nan 0.000 0.447 319 F N 0.176 120.234 119.950 0.181 0.000 2.427 319 F HA 0.429 4.956 4.527 -0.000 0.000 0.346 319 F C -0.360 175.538 175.800 0.164 0.000 1.120 319 F CA -1.015 57.058 58.000 0.122 0.000 1.033 319 F CB 0.748 39.793 39.000 0.075 0.000 1.126 319 F HN 0.214 nan 8.300 nan 0.000 0.462 320 I N 4.955 125.483 120.570 -0.069 0.000 2.488 320 I HA 0.641 4.810 4.170 -0.001 0.000 0.299 320 I C -0.288 175.909 176.117 0.134 0.000 0.984 320 I CA -0.832 60.513 61.300 0.076 0.000 1.250 320 I CB 1.569 39.483 38.000 -0.144 0.000 1.389 320 I HN 0.672 nan 8.210 nan 0.000 0.488 321 A N 7.043 129.970 122.820 0.177 0.000 2.374 321 A HA 0.847 5.167 4.320 -0.001 0.000 0.305 321 A C -1.010 176.665 177.584 0.152 0.000 1.053 321 A CA -0.482 51.664 52.037 0.183 0.000 0.726 321 A CB 1.062 20.145 19.000 0.139 0.000 1.229 321 A HN 0.649 nan 8.150 nan 0.000 0.431 322 L N 2.350 123.667 121.223 0.156 0.000 2.362 322 L HA 0.402 4.741 4.340 -0.001 0.000 0.275 322 L C 1.407 178.376 176.870 0.165 0.000 0.998 322 L CA -0.485 54.420 54.840 0.108 0.000 0.820 322 L CB 2.297 44.374 42.059 0.030 0.000 1.270 322 L HN 0.914 nan 8.230 nan 0.000 0.415 323 S N -0.530 115.217 115.700 0.078 0.000 2.461 323 S HA 0.055 4.524 4.470 -0.001 0.000 0.228 323 S C 0.313 174.972 174.600 0.098 0.000 1.005 323 S CA 0.291 58.513 58.200 0.037 0.000 0.942 323 S CB -0.049 63.110 63.200 -0.068 0.000 0.776 323 S HN 0.656 nan 8.310 nan 0.000 0.514 324 D N 0.331 120.764 120.400 0.055 0.000 2.414 324 D HA 0.506 5.145 4.640 -0.001 0.000 0.241 324 D C -0.339 175.939 176.300 -0.037 0.000 1.008 324 D CA -0.883 53.131 54.000 0.023 0.000 1.001 324 D CB 0.843 41.650 40.800 0.013 0.000 1.277 324 D HN 0.132 nan 8.370 nan 0.000 0.538 325 I N 0.971 121.505 120.570 -0.060 0.000 2.741 325 I HA -0.076 4.093 4.170 -0.001 0.000 0.288 325 I C 0.747 176.797 176.117 -0.112 0.000 1.192 325 I CA -0.024 61.199 61.300 -0.129 0.000 1.426 325 I CB 0.204 38.160 38.000 -0.073 0.000 1.367 325 I HN 0.227 nan 8.210 nan 0.000 0.563 326 C N 7.707 126.891 119.300 -0.193 0.000 2.633 326 C HA 0.070 4.530 4.460 -0.001 0.000 0.415 326 C C 0.392 175.391 174.990 0.014 0.000 1.393 326 C CA -0.453 58.527 59.018 -0.062 0.000 1.700 326 C CB -1.122 26.627 27.740 0.016 0.000 2.541 326 C HN 0.861 nan 8.230 nan 0.000 0.603 327 D N 3.833 124.247 120.400 0.024 0.000 2.487 327 D HA 0.322 4.962 4.640 -0.001 0.000 0.262 327 D C 0.860 177.184 176.300 0.039 0.000 1.130 327 D CA -0.744 53.275 54.000 0.031 0.000 1.038 327 D CB 0.454 41.269 40.800 0.025 0.000 1.142 327 D HN 0.235 nan 8.370 nan 0.000 0.575 328 V N -0.156 119.778 119.914 0.032 0.000 2.307 328 V HA -0.093 4.027 4.120 -0.001 0.000 0.245 328 V C -0.941 175.169 176.094 0.027 0.000 1.045 328 V CA 1.673 63.989 62.300 0.027 0.000 1.024 328 V CB -1.609 30.226 31.823 0.019 0.000 0.651 328 V HN 0.539 nan 8.190 nan 0.000 0.449 329 P HA -0.124 nan 4.420 nan 0.000 0.215 329 P C 1.821 179.154 177.300 0.055 0.000 1.153 329 P CA 1.768 64.893 63.100 0.040 0.000 0.853 329 P CB -0.190 31.536 31.700 0.043 0.000 0.788 330 T N -0.699 113.889 114.554 0.057 0.000 2.777 330 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 330 T C 1.903 176.620 174.700 0.028 0.000 1.040 330 T CA 1.587 63.726 62.100 0.066 0.000 1.141 330 T CB -0.956 67.943 68.868 0.052 0.000 0.868 330 T HN 0.042 nan 8.240 nan 0.000 0.444 331 A N 1.639 124.471 122.820 0.020 0.000 1.972 331 A HA -0.103 4.217 4.320 -0.001 0.000 0.219 331 A C 2.239 179.810 177.584 -0.020 0.000 1.169 331 A CA 1.453 53.489 52.037 -0.003 0.000 0.635 331 A CB -0.399 18.610 19.000 0.016 0.000 0.810 331 A HN 0.444 nan 8.150 nan 0.000 0.446 332 K N -0.532 119.869 120.400 0.002 0.000 2.155 332 K HA 0.046 4.366 4.320 -0.001 0.000 0.203 332 K C 1.693 178.299 176.600 0.009 0.000 1.052 332 K CA 1.159 57.444 56.287 -0.002 0.000 0.948 332 K CB -0.252 32.254 32.500 0.009 0.000 0.728 332 K HN 0.546 nan 8.250 nan 0.000 0.448 333 I N 0.902 121.500 120.570 0.047 0.000 2.202 333 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 333 I C 2.167 178.332 176.117 0.080 0.000 1.091 333 I CA 1.243 62.599 61.300 0.093 0.000 1.368 333 I CB -0.240 37.878 38.000 0.196 0.000 1.058 333 I HN 0.090 nan 8.210 nan 0.000 0.410 334 I N 0.052 120.638 120.570 0.027 0.000 2.286 334 I HA -0.310 3.860 4.170 -0.001 0.000 0.248 334 I C 2.792 178.819 176.117 -0.150 0.000 1.115 334 I CA 1.261 62.518 61.300 -0.072 0.000 1.392 334 I CB -0.413 37.465 38.000 -0.203 0.000 1.065 334 I HN 0.226 nan 8.210 nan 0.000 0.418 335 S N 1.474 117.090 115.700 -0.141 0.000 2.374 335 S HA -0.239 4.230 4.470 -0.001 0.000 0.227 335 S C 2.072 176.587 174.600 -0.141 0.000 1.037 335 S CA 1.859 59.957 58.200 -0.170 0.000 1.024 335 S CB -0.245 62.889 63.200 -0.111 0.000 0.861 335 S HN 0.542 nan 8.310 nan 0.000 0.456 336 R N -0.034 120.417 120.500 -0.083 0.000 2.317 336 R HA 0.256 4.596 4.340 -0.001 0.000 0.208 336 R C -0.118 176.144 176.300 -0.063 0.000 0.914 336 R CA 0.004 56.065 56.100 -0.065 0.000 1.060 336 R CB 0.022 30.302 30.300 -0.034 0.000 1.015 336 R HN 0.306 nan 8.270 nan 0.000 0.498 337 E N 1.311 121.469 120.200 -0.070 0.000 2.227 337 E HA 0.242 4.591 4.350 -0.001 0.000 0.268 337 E C -0.676 175.829 176.600 -0.158 0.000 0.990 337 E CA -1.034 55.324 56.400 -0.069 0.000 0.856 337 E CB 2.513 32.227 29.700 0.022 0.000 1.159 337 E HN -0.137 nan 8.360 nan 0.000 0.401 338 V N 1.776 121.532 119.914 -0.264 0.000 2.389 338 V HA 0.207 4.327 4.120 -0.001 0.000 0.264 338 V C 0.310 176.235 176.094 -0.280 0.000 1.049 338 V CA 0.151 62.206 62.300 -0.408 0.000 0.932 338 V CB 0.739 31.971 31.823 -0.985 0.000 1.011 338 V HN 0.541 nan 8.190 nan 0.000 0.475 339 S N 2.763 118.385 115.700 -0.130 0.000 2.546 339 S HA 0.441 4.910 4.470 -0.001 0.000 0.274 339 S C 0.117 174.817 174.600 0.166 0.000 1.121 339 S CA -0.680 57.537 58.200 0.029 0.000 0.887 339 S CB 2.083 65.328 63.200 0.076 0.000 1.094 339 S HN 0.711 nan 8.310 nan 0.000 0.474 340 D N 1.753 122.218 120.400 0.108 0.000 2.354 340 D HA 0.338 4.978 4.640 -0.001 0.000 0.209 340 D C 0.773 176.943 176.300 -0.217 0.000 1.015 340 D CA 1.059 55.102 54.000 0.071 0.000 0.867 340 D CB 0.802 41.682 40.800 0.133 0.000 0.933 340 D HN 0.782 nan 8.370 nan 0.000 0.520 341 G N -0.694 107.745 108.800 -0.602 0.000 2.313 341 G HA2 0.381 4.340 3.960 -0.001 0.000 0.296 341 G HA3 0.381 4.340 3.960 -0.001 0.000 0.296 341 G C -2.104 171.869 174.900 -1.545 0.000 1.356 341 G CA -0.316 43.915 45.100 -1.448 0.000 0.833 341 G HN 0.061 nan 8.290 nan 0.000 0.552 342 V N -1.004 118.181 119.914 -1.215 0.000 3.048 342 V HA 0.832 4.952 4.120 -0.001 0.000 0.303 342 V C -1.336 174.715 176.094 -0.071 0.000 1.214 342 V CA -0.525 61.460 62.300 -0.526 0.000 0.984 342 V CB 1.856 33.597 31.823 -0.136 0.000 1.054 342 V HN 1.716 nan 8.190 nan 0.000 0.430 343 V N 5.722 125.725 119.914 0.150 0.000 2.656 343 V HA 1.049 5.169 4.120 -0.001 0.000 0.307 343 V C -0.181 175.972 176.094 0.098 0.000 1.051 343 V CA 0.481 62.888 62.300 0.178 0.000 0.893 343 V CB 1.551 33.491 31.823 0.195 0.000 0.999 343 V HN 1.915 nan 8.190 nan 0.000 0.426 344 A N 6.716 129.498 122.820 -0.063 0.000 2.599 344 A HA 0.872 5.192 4.320 -0.001 0.000 0.290 344 A C -2.718 174.655 177.584 -0.352 0.000 1.101 344 A CA -0.698 51.216 52.037 -0.204 0.000 0.674 344 A CB 1.747 20.428 19.000 -0.531 0.000 1.277 344 A HN 0.551 nan 8.150 nan 0.000 0.419 345 P HA 0.215 nan 4.420 nan 0.000 0.236 345 P C 0.695 177.865 177.300 -0.216 0.000 1.177 345 P CA 1.510 64.471 63.100 -0.230 0.000 0.773 345 P CB 0.528 32.222 31.700 -0.010 0.000 0.878 346 G N -1.356 107.230 108.800 -0.358 0.000 2.356 346 G HA2 0.472 4.431 3.960 -0.001 0.000 0.294 346 G HA3 0.472 4.431 3.960 -0.001 0.000 0.294 346 G C -2.373 172.186 174.900 -0.568 0.000 1.423 346 G CA -0.638 44.293 45.100 -0.282 0.000 0.806 346 G HN -0.090 nan 8.290 nan 0.000 0.527 347 Y N 0.076 120.364 120.300 -0.020 0.000 2.470 347 Y HA 0.469 5.019 4.550 -0.001 0.000 0.341 347 Y C 0.298 176.191 175.900 -0.011 0.000 1.021 347 Y CA -0.914 57.177 58.100 -0.015 0.000 1.025 347 Y CB 2.085 40.533 38.460 -0.021 0.000 1.266 347 Y HN 0.537 nan 8.280 nan 0.000 0.448 348 E N 1.981 122.255 120.200 0.124 0.000 2.383 348 E HA -0.014 4.335 4.350 -0.001 0.000 0.264 348 E C 0.708 177.357 176.600 0.081 0.000 1.050 348 E CA -0.123 56.321 56.400 0.074 0.000 0.896 348 E CB 1.104 30.833 29.700 0.048 0.000 0.982 348 E HN 0.831 nan 8.360 nan 0.000 0.424 349 E N 2.140 122.370 120.200 0.051 0.000 2.065 349 E HA -0.332 4.018 4.350 -0.001 0.000 0.201 349 E C 1.627 178.242 176.600 0.025 0.000 1.016 349 E CA 1.765 58.185 56.400 0.033 0.000 0.818 349 E CB 0.134 29.845 29.700 0.019 0.000 0.749 349 E HN 0.443 nan 8.360 nan 0.000 0.453 350 E N 0.158 120.372 120.200 0.023 0.000 2.110 350 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 350 E C 1.671 178.282 176.600 0.018 0.000 0.988 350 E CA 1.431 57.839 56.400 0.014 0.000 0.804 350 E CB -0.369 29.338 29.700 0.012 0.000 0.745 350 E HN 0.370 nan 8.360 nan 0.000 0.458 351 A N 0.354 123.198 122.820 0.041 0.000 1.877 351 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 351 A C 2.178 179.786 177.584 0.040 0.000 1.186 351 A CA 1.490 53.561 52.037 0.057 0.000 0.620 351 A CB -0.800 18.264 19.000 0.107 0.000 0.822 351 A HN 0.376 nan 8.150 nan 0.000 0.443 352 L N -0.056 121.189 121.223 0.037 0.000 2.131 352 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 352 L C 2.149 178.978 176.870 -0.069 0.000 1.092 352 L CA 2.046 56.846 54.840 -0.068 0.000 0.759 352 L CB -0.477 41.540 42.059 -0.069 0.000 0.903 352 L HN 0.328 nan 8.230 nan 0.000 0.435 353 K N -0.520 119.859 120.400 -0.035 0.000 2.057 353 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 353 K C 2.109 178.684 176.600 -0.042 0.000 1.050 353 K CA 1.764 58.029 56.287 -0.036 0.000 0.935 353 K CB -0.259 32.227 32.500 -0.022 0.000 0.715 353 K HN 0.376 nan 8.250 nan 0.000 0.439 354 I N 1.333 121.880 120.570 -0.038 0.000 2.179 354 I HA -0.291 3.879 4.170 -0.001 0.000 0.242 354 I C 2.306 178.375 176.117 -0.081 0.000 1.088 354 I CA 1.246 62.515 61.300 -0.051 0.000 1.357 354 I CB -0.309 37.667 38.000 -0.040 0.000 1.051 354 I HN 0.098 nan 8.210 nan 0.000 0.409 355 L N -0.086 121.092 121.223 -0.075 0.000 2.046 355 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 355 L C 2.575 179.425 176.870 -0.034 0.000 1.077 355 L CA 1.197 55.986 54.840 -0.085 0.000 0.747 355 L CB -0.583 41.460 42.059 -0.027 0.000 0.896 355 L HN 0.170 nan 8.230 nan 0.000 0.432 356 S N -0.473 115.202 115.700 -0.042 0.000 2.469 356 S HA -0.126 4.343 4.470 -0.001 0.000 0.238 356 S C 1.783 176.371 174.600 -0.019 0.000 0.998 356 S CA 0.994 59.181 58.200 -0.022 0.000 0.957 356 S CB -0.106 63.060 63.200 -0.056 0.000 0.764 356 S HN 0.376 nan 8.310 nan 0.000 0.514 357 K N 0.952 121.323 120.400 -0.048 0.000 2.365 357 K HA 0.095 4.414 4.320 -0.001 0.000 0.197 357 K C 0.362 176.922 176.600 -0.067 0.000 1.042 357 K CA 0.373 56.630 56.287 -0.051 0.000 0.987 357 K CB 0.153 32.619 32.500 -0.056 0.000 0.779 357 K HN 0.280 nan 8.250 nan 0.000 0.484 358 K N 1.418 121.747 120.400 -0.120 0.000 2.380 358 K HA -0.003 4.317 4.320 -0.001 0.000 0.267 358 K C -0.107 176.463 176.600 -0.050 0.000 0.990 358 K CA 0.364 56.542 56.287 -0.183 0.000 0.946 358 K CB 0.340 32.517 32.500 -0.538 0.000 0.937 358 K HN -0.028 nan 8.250 nan 0.000 0.491 359 K N 2.447 122.819 120.400 -0.046 0.000 3.077 359 K HA -0.297 4.023 4.320 -0.001 0.000 0.264 359 K C -0.836 175.771 176.600 0.012 0.000 1.008 359 K CA 0.618 56.911 56.287 0.010 0.000 0.740 359 K CB -1.551 30.992 32.500 0.073 0.000 1.273 359 K HN 0.863 nan 8.250 nan 0.000 0.477 360 N N -1.550 117.145 118.700 -0.007 0.000 2.735 360 N HA -0.236 4.504 4.740 -0.001 0.000 0.248 360 N C 0.694 176.204 175.510 -0.000 0.000 1.083 360 N CA 1.525 54.572 53.050 -0.005 0.000 0.703 360 N CB -1.341 37.147 38.487 0.002 0.000 1.005 360 N HN 0.897 nan 8.380 nan 0.000 0.550 361 G N -1.924 106.877 108.800 0.001 0.000 2.176 361 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.253 361 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.253 361 G C 0.771 175.681 174.900 0.017 0.000 0.979 361 G CA 0.637 45.740 45.100 0.004 0.000 0.641 361 G HN 0.859 nan 8.290 nan 0.000 0.530 362 G N -0.745 108.076 108.800 0.036 0.000 3.277 362 G HA2 0.402 4.362 3.960 -0.001 0.000 0.243 362 G HA3 0.402 4.362 3.960 -0.001 0.000 0.243 362 G C 0.396 175.331 174.900 0.059 0.000 1.107 362 G CA 0.102 45.222 45.100 0.033 0.000 0.771 362 G HN 0.615 nan 8.290 nan 0.000 0.544 363 Y N 0.970 121.231 120.300 -0.067 0.000 2.717 363 Y HA 0.219 4.768 4.550 -0.000 0.000 0.330 363 Y C 0.773 176.616 175.900 -0.096 0.000 1.217 363 Y CA -1.382 56.666 58.100 -0.087 0.000 1.506 363 Y CB 0.392 38.785 38.460 -0.112 0.000 1.268 363 Y HN 0.045 nan 8.280 nan 0.000 0.561 364 C N 7.937 126.903 119.300 -0.556 0.000 2.624 364 C HA 0.521 4.980 4.460 -0.001 0.000 0.397 364 C C -0.555 174.059 174.990 -0.626 0.000 1.331 364 C CA -0.555 58.196 59.018 -0.445 0.000 1.716 364 C CB -2.185 25.417 27.740 -0.230 0.000 2.452 364 C HN 0.601 nan 8.230 nan 0.000 0.586 365 V N 8.677 128.379 119.914 -0.354 0.000 2.443 365 V HA 0.468 4.587 4.120 -0.001 0.000 0.293 365 V C -0.134 175.864 176.094 -0.160 0.000 1.021 365 V CA -0.308 61.803 62.300 -0.316 0.000 0.848 365 V CB 1.344 32.930 31.823 -0.394 0.000 0.998 365 V HN 0.752 nan 8.190 nan 0.000 0.424 366 L N 4.225 125.434 121.223 -0.024 0.000 2.342 366 L HA 0.685 5.025 4.340 -0.001 0.000 0.271 366 L C -0.220 176.704 176.870 0.090 0.000 1.008 366 L CA -0.434 54.415 54.840 0.015 0.000 0.818 366 L CB 2.118 44.193 42.059 0.027 0.000 1.296 366 L HN 0.646 nan 8.230 nan 0.000 0.427 370 P HA -0.018 nan 4.420 nan 0.000 0.226 370 P C 0.462 177.898 177.300 0.227 0.000 1.153 370 P CA 0.468 63.721 63.100 0.256 0.000 0.777 370 P CB 0.483 32.315 31.700 0.219 0.000 0.794 371 N N -1.258 117.531 118.700 0.149 0.000 2.280 371 N HA -0.025 4.715 4.740 -0.001 0.000 0.192 371 N C 0.423 176.008 175.510 0.125 0.000 1.109 371 N CA -0.163 52.955 53.050 0.114 0.000 0.855 371 N CB -0.337 38.192 38.487 0.071 0.000 0.974 371 N HN 0.283 nan 8.380 nan 0.000 0.482 372 Y N 2.507 122.839 120.300 0.052 0.000 2.511 372 Y HA 0.059 4.609 4.550 -0.000 0.000 0.332 372 Y C -0.160 175.780 175.900 0.067 0.000 1.177 372 Y CA 0.188 58.312 58.100 0.040 0.000 1.422 372 Y CB 0.515 38.982 38.460 0.012 0.000 1.271 372 Y HN -0.139 nan 8.280 nan 0.000 0.550 373 E N 8.060 127.799 120.200 -0.769 0.000 2.256 373 E HA 0.306 4.656 4.350 -0.001 0.000 0.268 373 E C -2.632 173.448 176.600 -0.866 0.000 0.877 373 E CA -2.110 53.932 56.400 -0.597 0.000 0.757 373 E CB 1.665 31.209 29.700 -0.260 0.000 1.183 373 E HN 0.535 nan 8.360 nan 0.000 0.418 374 P HA 0.191 nan 4.420 nan 0.000 0.274 374 P C -0.371 176.851 177.300 -0.131 0.000 1.237 374 P CA -0.439 62.494 63.100 -0.279 0.000 0.793 374 P CB 1.023 32.707 31.700 -0.027 0.000 0.977 375 D N 0.863 121.237 120.400 -0.044 0.000 2.368 375 D HA -0.006 4.634 4.640 -0.001 0.000 0.240 375 D C 1.154 177.450 176.300 -0.008 0.000 1.169 375 D CA 0.060 54.049 54.000 -0.019 0.000 0.906 375 D CB 0.389 41.196 40.800 0.013 0.000 1.187 375 D HN 0.314 nan 8.370 nan 0.000 0.435 376 D N 0.024 120.420 120.400 -0.007 0.000 2.144 376 D HA -0.075 4.564 4.640 -0.001 0.000 0.200 376 D C 0.213 176.521 176.300 0.014 0.000 0.978 376 D CA 0.971 54.971 54.000 0.000 0.000 0.833 376 D CB 0.157 40.955 40.800 -0.004 0.000 0.961 376 D HN 0.303 nan 8.370 nan 0.000 0.470 377 N N 1.486 120.196 118.700 0.017 0.000 2.498 377 N HA 0.202 4.941 4.740 -0.001 0.000 0.287 377 N C -0.261 175.268 175.510 0.032 0.000 1.097 377 N CA 0.061 53.126 53.050 0.024 0.000 0.973 377 N CB 1.607 40.107 38.487 0.021 0.000 1.153 377 N HN 0.098 nan 8.380 nan 0.000 0.472 378 E N 1.181 121.403 120.200 0.037 0.000 2.266 378 E HA 0.564 4.913 4.350 -0.001 0.000 0.268 378 E C -0.530 176.094 176.600 0.041 0.000 0.879 378 E CA -0.573 55.852 56.400 0.042 0.000 0.762 378 E CB 2.302 32.035 29.700 0.054 0.000 1.199 378 E HN 0.385 nan 8.360 nan 0.000 0.422 379 I N 2.283 122.876 120.570 0.038 0.000 2.545 379 I HA 0.448 4.617 4.170 -0.001 0.000 0.292 379 I C -0.568 175.575 176.117 0.044 0.000 1.040 379 I CA -0.885 60.439 61.300 0.041 0.000 1.068 379 I CB 1.900 39.925 38.000 0.042 0.000 1.251 379 I HN 0.456 nan 8.210 nan 0.000 0.424 380 R N 2.631 123.160 120.500 0.049 0.000 2.686 380 R HA 0.703 5.042 4.340 -0.001 0.000 0.283 380 R C -1.494 174.840 176.300 0.057 0.000 0.978 380 R CA -0.661 55.472 56.100 0.055 0.000 0.897 380 R CB 1.765 32.099 30.300 0.056 0.000 1.192 380 R HN 0.380 nan 8.270 nan 0.000 0.457 381 T N 3.537 118.129 114.554 0.064 0.000 2.767 381 T HA 0.412 4.762 4.350 -0.001 0.000 0.288 381 T C -1.075 173.668 174.700 0.072 0.000 0.963 381 T CA -0.493 61.645 62.100 0.063 0.000 1.019 381 T CB 0.939 69.845 68.868 0.063 0.000 0.923 381 T HN 0.368 nan 8.240 nan 0.000 0.468 382 L N 4.924 126.195 121.223 0.080 0.000 2.441 382 L HA 0.418 4.758 4.340 -0.001 0.000 0.270 382 L C -0.592 176.385 176.870 0.179 0.000 0.973 382 L CA -0.818 54.085 54.840 0.106 0.000 0.842 382 L CB 0.649 42.755 42.059 0.079 0.000 1.239 382 L HN 0.725 nan 8.230 nan 0.000 0.406 383 Y N 5.526 125.832 120.300 0.009 0.000 3.305 383 Y HA -0.160 4.389 4.550 -0.001 0.000 0.212 383 Y C 1.284 177.190 175.900 0.009 0.000 1.248 383 Y CA 1.514 59.617 58.100 0.006 0.000 1.359 383 Y CB -1.063 37.398 38.460 0.002 0.000 1.407 383 Y HN 1.140 nan 8.280 nan 0.000 0.572 384 G N -0.549 108.251 108.800 0.000 0.000 2.184 384 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.264 384 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.264 384 G C 0.199 175.079 174.900 -0.034 0.000 0.975 384 G CA 0.312 45.373 45.100 -0.064 0.000 0.642 384 G HN 0.691 nan 8.290 nan 0.000 0.536 385 L N -0.527 120.699 121.223 0.006 0.000 2.334 385 L HA 0.729 5.069 4.340 -0.001 0.000 0.270 385 L C 0.163 177.055 176.870 0.037 0.000 1.018 385 L CA -1.198 53.653 54.840 0.019 0.000 0.811 385 L CB 1.530 43.610 42.059 0.035 0.000 1.271 385 L HN -0.019 nan 8.230 nan 0.000 0.443 386 Q N 1.696 121.516 119.800 0.034 0.000 2.290 386 Q HA 0.641 4.981 4.340 -0.001 0.000 0.259 386 Q C -0.888 175.135 176.000 0.040 0.000 0.941 386 Q CA 0.055 55.882 55.803 0.040 0.000 0.912 386 Q CB 2.106 30.867 28.738 0.038 0.000 1.244 386 Q HN 0.406 nan 8.270 nan 0.000 0.441 390 K N 1.823 122.240 120.400 0.028 0.000 2.270 390 K HA 0.247 4.567 4.320 -0.001 0.000 0.276 390 K C -0.208 176.411 176.600 0.031 0.000 1.023 390 K CA -0.276 56.025 56.287 0.023 0.000 0.955 390 K CB 0.795 33.303 32.500 0.014 0.000 0.975 390 K HN 0.780 nan 8.250 nan 0.000 0.471 391 R N 2.246 122.767 120.500 0.034 0.000 2.726 391 R HA 0.051 4.390 4.340 -0.001 0.000 0.272 391 R C -0.003 176.317 176.300 0.033 0.000 1.097 391 R CA -0.509 55.619 56.100 0.047 0.000 1.198 391 R CB 0.116 30.450 30.300 0.057 0.000 1.114 391 R HN 0.468 nan 8.270 nan 0.000 0.550 392 N N 1.050 119.771 118.700 0.036 0.000 2.555 392 N HA 0.021 4.760 4.740 -0.001 0.000 0.244 392 N C -0.895 174.609 175.510 -0.010 0.000 1.114 392 N CA -0.133 52.915 53.050 -0.003 0.000 0.963 392 N CB 0.104 38.570 38.487 -0.036 0.000 1.276 392 N HN 0.499 nan 8.380 nan 0.000 0.510 393 N N 1.164 119.857 118.700 -0.011 0.000 2.268 393 N HA 0.080 4.820 4.740 -0.001 0.000 0.204 393 N C -0.233 175.259 175.510 -0.030 0.000 1.124 393 N CA -0.122 52.922 53.050 -0.011 0.000 0.838 393 N CB 0.326 38.807 38.487 -0.011 0.000 0.994 393 N HN 0.501 nan 8.380 nan 0.000 0.489 394 A N 0.711 123.501 122.820 -0.048 0.000 2.548 394 A HA 0.140 4.460 4.320 -0.001 0.000 0.247 394 A C 0.473 178.019 177.584 -0.064 0.000 1.067 394 A CA 0.059 52.058 52.037 -0.063 0.000 0.757 394 A CB 0.164 19.116 19.000 -0.080 0.000 0.996 394 A HN 0.020 nan 8.150 nan 0.000 0.504 395 V N 4.966 124.839 119.914 -0.067 0.000 2.461 395 V HA 0.172 4.292 4.120 -0.001 0.000 0.275 395 V C 0.156 176.190 176.094 -0.100 0.000 1.047 395 V CA -0.348 61.909 62.300 -0.071 0.000 0.955 395 V CB 0.972 32.754 31.823 -0.069 0.000 0.988 395 V HN 0.643 nan 8.190 nan 0.000 0.471 396 I N 6.053 126.566 120.570 -0.095 0.000 2.307 396 I HA 0.536 4.706 4.170 -0.001 0.000 0.289 396 I C -0.183 175.842 176.117 -0.153 0.000 1.021 396 I CA -0.145 61.077 61.300 -0.131 0.000 1.224 396 I CB 0.890 38.843 38.000 -0.078 0.000 1.376 396 I HN 0.890 nan 8.210 nan 0.000 0.470 397 D N 4.743 124.992 120.400 -0.251 0.000 2.946 397 D HA 0.306 4.945 4.640 -0.001 0.000 0.337 397 D C 0.701 176.763 176.300 -0.396 0.000 1.332 397 D CA -0.719 53.140 54.000 -0.235 0.000 0.935 397 D CB 0.715 41.428 40.800 -0.145 0.000 1.440 397 D HN 0.136 nan 8.370 nan 0.000 0.540 398 R N -0.183 120.175 120.500 -0.238 0.000 2.133 398 R HA -0.136 4.204 4.340 -0.001 0.000 0.247 398 R C 1.987 178.133 176.300 -0.256 0.000 1.151 398 R CA 2.303 58.286 56.100 -0.195 0.000 0.971 398 R CB -0.649 29.614 30.300 -0.062 0.000 0.866 398 R HN 0.607 nan 8.270 nan 0.000 0.447 399 S N 0.833 116.399 115.700 -0.223 0.000 2.442 399 S HA -0.105 4.364 4.470 -0.001 0.000 0.236 399 S C 1.860 176.323 174.600 -0.229 0.000 1.007 399 S CA 0.817 58.914 58.200 -0.171 0.000 0.965 399 S CB -0.184 62.942 63.200 -0.123 0.000 0.773 399 S HN 0.234 nan 8.310 nan 0.000 0.504 400 L N 0.353 121.312 121.223 -0.440 0.000 2.362 400 L HA 0.260 4.600 4.340 -0.001 0.000 0.219 400 L C 0.547 177.262 176.870 -0.258 0.000 1.134 400 L CA 1.273 55.855 54.840 -0.430 0.000 0.807 400 L CB -0.647 41.047 42.059 -0.609 0.000 0.927 400 L HN 0.295 nan 8.230 nan 0.000 0.447 401 F N -0.680 119.257 119.950 -0.022 0.000 2.730 401 F HA 0.224 4.751 4.527 -0.000 0.000 0.295 401 F C 1.755 177.547 175.800 -0.012 0.000 1.143 401 F CA -0.471 57.519 58.000 -0.017 0.000 1.367 401 F CB -0.997 37.988 39.000 -0.026 0.000 0.970 401 F HN 0.167 nan 8.300 nan 0.000 0.514 402 K N -0.418 120.045 120.400 0.104 0.000 2.228 402 K HA -0.104 4.216 4.320 -0.001 0.000 0.202 402 K C 0.611 177.248 176.600 0.062 0.000 1.051 402 K CA 0.959 57.284 56.287 0.063 0.000 0.960 402 K CB -0.150 32.361 32.500 0.019 0.000 0.743 402 K HN 0.048 nan 8.250 nan 0.000 0.458 403 N N 1.804 120.549 118.700 0.074 0.000 3.188 403 N HA 0.166 4.905 4.740 -0.001 0.000 0.279 403 N C -1.224 174.323 175.510 0.062 0.000 1.213 403 N CA -0.396 52.692 53.050 0.063 0.000 1.138 403 N CB -0.058 38.469 38.487 0.066 0.000 1.417 403 N HN 0.183 nan 8.380 nan 0.000 0.526 404 I N 2.189 122.786 120.570 0.044 0.000 2.379 404 I HA 0.005 4.175 4.170 -0.001 0.000 0.290 404 I C 1.407 177.520 176.117 -0.006 0.000 1.063 404 I CA -0.462 60.849 61.300 0.019 0.000 1.351 404 I CB 1.082 39.095 38.000 0.022 0.000 1.410 404 I HN 0.259 nan 8.210 nan 0.000 0.505 405 V N 1.622 121.507 119.914 -0.048 0.000 3.650 405 V HA 0.070 4.190 4.120 -0.001 0.000 0.271 405 V C 0.943 176.999 176.094 -0.063 0.000 1.281 405 V CA 0.051 62.315 62.300 -0.061 0.000 1.120 405 V CB -0.765 30.991 31.823 -0.113 0.000 0.856 405 V HN 0.771 nan 8.190 nan 0.000 0.443 406 T N -2.099 112.418 114.554 -0.060 0.000 2.899 406 T HA 0.392 4.741 4.350 -0.001 0.000 0.284 406 T C 0.801 175.485 174.700 -0.026 0.000 1.004 406 T CA -0.465 61.606 62.100 -0.048 0.000 1.043 406 T CB 1.935 70.772 68.868 -0.051 0.000 1.013 406 T HN 0.252 nan 8.240 nan 0.000 0.518 407 K N 1.183 121.570 120.400 -0.022 0.000 2.009 407 K HA -0.118 4.202 4.320 -0.001 0.000 0.210 407 K C 0.582 177.176 176.600 -0.009 0.000 1.049 407 K CA 1.534 57.812 56.287 -0.014 0.000 0.929 407 K CB -0.460 32.031 32.500 -0.014 0.000 0.714 407 K HN 0.796 nan 8.250 nan 0.000 0.440 408 N N 1.876 120.569 118.700 -0.012 0.000 2.458 408 N HA 0.009 4.748 4.740 -0.001 0.000 0.270 408 N C -0.049 175.465 175.510 0.007 0.000 1.102 408 N CA -0.300 52.748 53.050 -0.004 0.000 0.967 408 N CB 1.121 39.602 38.487 -0.010 0.000 1.078 408 N HN 0.020 nan 8.380 nan 0.000 0.471 409 K N -0.169 120.242 120.400 0.018 0.000 2.374 409 K HA 0.068 4.388 4.320 -0.001 0.000 0.196 409 K C 0.154 176.787 176.600 0.055 0.000 1.023 409 K CA -0.417 55.888 56.287 0.030 0.000 1.103 409 K CB -0.250 32.263 32.500 0.023 0.000 0.848 409 K HN 0.469 nan 8.250 nan 0.000 0.528 410 T N 1.362 115.956 114.554 0.067 0.000 2.466 410 T HA -0.069 4.281 4.350 -0.001 0.000 0.234 410 T C -0.736 174.076 174.700 0.187 0.000 1.069 410 T CA 0.443 62.611 62.100 0.113 0.000 1.271 410 T CB -0.450 68.495 68.868 0.127 0.000 1.048 410 T HN 0.347 nan 8.240 nan 0.000 0.487 411 L N 9.664 130.921 121.223 0.057 0.000 2.489 411 L HA 0.460 4.800 4.340 -0.001 0.000 0.257 411 L C -2.136 174.638 176.870 -0.161 0.000 1.215 411 L CA -1.530 53.254 54.840 -0.093 0.000 0.915 411 L CB 1.626 43.640 42.059 -0.076 0.000 1.146 411 L HN 0.481 nan 8.230 nan 0.000 0.494 412 P HA 0.151 nan 4.420 nan 0.000 0.274 412 P C 0.320 177.502 177.300 -0.196 0.000 1.246 412 P CA -0.200 62.801 63.100 -0.166 0.000 0.795 412 P CB 1.209 32.829 31.700 -0.134 0.000 1.006 413 E N 1.164 121.297 120.200 -0.112 0.000 2.160 413 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 413 E C 1.881 178.414 176.600 -0.112 0.000 0.991 413 E CA 2.075 58.424 56.400 -0.086 0.000 0.810 413 E CB -0.636 29.037 29.700 -0.044 0.000 0.742 413 E HN 0.490 nan 8.360 nan 0.000 0.466 414 S N -0.407 115.215 115.700 -0.130 0.000 2.382 414 S HA -0.098 4.372 4.470 -0.001 0.000 0.228 414 S C 2.189 176.662 174.600 -0.212 0.000 1.027 414 S CA 1.022 59.148 58.200 -0.124 0.000 0.991 414 S CB -0.394 62.754 63.200 -0.088 0.000 0.823 414 S HN 0.352 nan 8.310 nan 0.000 0.469 415 A N 1.381 123.956 122.820 -0.409 0.000 1.930 415 A HA 0.207 4.526 4.320 -0.001 0.000 0.215 415 A C 2.376 179.701 177.584 -0.432 0.000 1.176 415 A CA 1.166 52.816 52.037 -0.645 0.000 0.632 415 A CB -0.956 17.110 19.000 -1.558 0.000 0.819 415 A HN 0.417 nan 8.150 nan 0.000 0.445 416 V N 0.455 120.186 119.914 -0.305 0.000 2.332 416 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 416 V C 2.666 178.765 176.094 0.008 0.000 1.055 416 V CA 2.384 64.616 62.300 -0.113 0.000 1.038 416 V CB -0.830 31.010 31.823 0.027 0.000 0.651 416 V HN 0.693 nan 8.190 nan 0.000 0.450 417 R N 0.180 120.658 120.500 -0.035 0.000 2.070 417 R HA -0.196 4.143 4.340 -0.001 0.000 0.233 417 R C 2.050 178.346 176.300 -0.007 0.000 1.137 417 R CA 2.254 58.353 56.100 -0.001 0.000 0.945 417 R CB -0.454 29.835 30.300 -0.018 0.000 0.845 417 R HN 0.504 nan 8.270 nan 0.000 0.430 418 D N 0.697 121.062 120.400 -0.059 0.000 2.144 418 D HA -0.145 4.494 4.640 -0.001 0.000 0.199 418 D C 2.041 178.316 176.300 -0.041 0.000 0.984 418 D CA 0.998 54.968 54.000 -0.049 0.000 0.834 418 D CB -0.150 40.611 40.800 -0.064 0.000 0.955 418 D HN 0.307 nan 8.370 nan 0.000 0.465 419 L N 0.272 121.436 121.223 -0.097 0.000 2.141 419 L HA -0.081 4.259 4.340 -0.001 0.000 0.209 419 L C 2.446 179.402 176.870 0.144 0.000 1.094 419 L CA 0.557 55.336 54.840 -0.102 0.000 0.763 419 L CB -0.168 41.559 42.059 -0.552 0.000 0.908 419 L HN -0.002 nan 8.230 nan 0.000 0.437 420 I N -1.197 119.505 120.570 0.221 0.000 2.286 420 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 420 I C 2.414 178.592 176.117 0.102 0.000 1.104 420 I CA 0.815 62.243 61.300 0.213 0.000 1.397 420 I CB -0.148 37.945 38.000 0.155 0.000 1.072 420 I HN -0.022 nan 8.210 nan 0.000 0.417 421 V N 1.089 121.042 119.914 0.065 0.000 2.287 421 V HA -0.333 3.787 4.120 -0.001 0.000 0.248 421 V C 2.722 178.845 176.094 0.047 0.000 1.053 421 V CA 2.153 64.481 62.300 0.046 0.000 1.027 421 V CB -1.046 30.792 31.823 0.025 0.000 0.646 421 V HN 0.504 nan 8.190 nan 0.000 0.447 422 A N -0.463 122.378 122.820 0.035 0.000 1.902 422 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 422 A C 2.475 180.080 177.584 0.035 0.000 1.181 422 A CA 2.375 54.427 52.037 0.025 0.000 0.623 422 A CB -0.698 18.301 19.000 -0.001 0.000 0.818 422 A HN 0.528 nan 8.150 nan 0.000 0.443 423 S N -0.221 115.513 115.700 0.057 0.000 2.368 423 S HA -0.056 4.413 4.470 -0.001 0.000 0.224 423 S C 1.807 176.421 174.600 0.022 0.000 1.029 423 S CA 1.351 59.578 58.200 0.044 0.000 0.988 423 S CB -0.457 62.799 63.200 0.092 0.000 0.838 423 S HN 0.531 nan 8.310 nan 0.000 0.462 424 I N 1.741 122.341 120.570 0.051 0.000 2.286 424 I HA -0.206 3.964 4.170 -0.001 0.000 0.248 424 I C 2.671 178.871 176.117 0.139 0.000 1.115 424 I CA 0.989 62.338 61.300 0.081 0.000 1.392 424 I CB -0.468 37.591 38.000 0.099 0.000 1.065 424 I HN 0.265 nan 8.210 nan 0.000 0.418 425 A N 0.455 123.342 122.820 0.112 0.000 1.877 425 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 425 A C 2.440 180.073 177.584 0.082 0.000 1.186 425 A CA 1.655 53.769 52.037 0.128 0.000 0.620 425 A CB -0.987 18.061 19.000 0.081 0.000 0.822 425 A HN 0.215 nan 8.150 nan 0.000 0.443 426 V N 0.483 120.414 119.914 0.029 0.000 2.332 426 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 426 V C 2.558 178.610 176.094 -0.070 0.000 1.055 426 V CA 2.429 64.726 62.300 -0.005 0.000 1.038 426 V CB -0.659 31.155 31.823 -0.015 0.000 0.651 426 V HN 0.714 nan 8.190 nan 0.000 0.450 427 K N -0.777 119.531 120.400 -0.153 0.000 2.218 427 K HA -0.207 4.113 4.320 -0.001 0.000 0.205 427 K C 1.137 177.290 176.600 -0.745 0.000 1.046 427 K CA 1.827 57.865 56.287 -0.414 0.000 0.933 427 K CB -0.110 32.083 32.500 -0.512 0.000 0.728 427 K HN 0.581 nan 8.250 nan 0.000 0.454 428 Y N 0.169 120.384 120.300 -0.142 0.000 2.720 428 Y HA 0.224 4.773 4.550 -0.001 0.000 0.277 428 Y C -0.376 175.553 175.900 0.049 0.000 1.144 428 Y CA -0.320 57.663 58.100 -0.193 0.000 1.221 428 Y CB 0.977 39.472 38.460 0.057 0.000 1.163 428 Y HN -0.194 nan 8.280 nan 0.000 0.537 429 T N 1.408 116.034 114.554 0.120 0.000 2.823 429 T HA 0.240 4.590 4.350 -0.001 0.000 0.279 429 T C -0.177 174.636 174.700 0.188 0.000 0.998 429 T CA -0.867 61.312 62.100 0.132 0.000 0.994 429 T CB 1.165 70.059 68.868 0.044 0.000 0.960 429 T HN -0.073 nan 8.240 nan 0.000 0.448 430 Q N 1.977 121.866 119.800 0.148 0.000 2.286 430 Q HA 0.172 4.512 4.340 -0.001 0.000 0.290 430 Q C 0.317 176.271 176.000 -0.077 0.000 1.049 430 Q CA 0.298 56.110 55.803 0.016 0.000 0.923 430 Q CB 0.415 29.181 28.738 0.045 0.000 1.183 430 Q HN 0.600 nan 8.270 nan 0.000 0.383 431 S N 2.429 117.932 115.700 -0.328 0.000 2.603 431 S HA 0.155 4.625 4.470 -0.001 0.000 0.268 431 S C 0.543 175.083 174.600 -0.100 0.000 1.317 431 S CA -0.754 57.273 58.200 -0.289 0.000 1.012 431 S CB 0.449 63.297 63.200 -0.587 0.000 0.926 431 S HN 0.681 nan 8.310 nan 0.000 0.539 432 N N 0.284 118.945 118.700 -0.065 0.000 2.379 432 N HA 0.469 5.209 4.740 -0.001 0.000 0.260 432 N C -0.760 174.761 175.510 0.018 0.000 1.254 432 N CA -0.567 52.453 53.050 -0.050 0.000 0.958 432 N CB 0.361 38.848 38.487 -0.000 0.000 1.208 432 N HN 0.570 nan 8.380 nan 0.000 0.532 433 S N -2.335 113.399 115.700 0.056 0.000 2.537 433 S HA 0.658 5.127 4.470 -0.001 0.000 0.271 433 S C -1.432 173.206 174.600 0.063 0.000 1.148 433 S CA -0.911 57.325 58.200 0.060 0.000 0.868 433 S CB 0.849 64.074 63.200 0.043 0.000 1.115 433 S HN 0.480 nan 8.310 nan 0.000 0.461 434 V N 0.781 120.744 119.914 0.081 0.000 2.841 434 V HA 0.769 4.888 4.120 -0.001 0.000 0.310 434 V C -0.766 175.373 176.094 0.075 0.000 1.090 434 V CA -0.654 61.689 62.300 0.072 0.000 0.930 434 V CB 1.679 33.579 31.823 0.129 0.000 1.014 434 V HN 1.284 nan 8.190 nan 0.000 0.425 435 C N 4.931 124.235 119.300 0.008 0.000 2.481 435 C HA 0.748 5.208 4.460 -0.001 0.000 0.324 435 C C -1.217 173.757 174.990 -0.026 0.000 1.170 435 C CA -0.612 58.435 59.018 0.049 0.000 1.361 435 C CB 0.530 28.291 27.740 0.035 0.000 1.977 435 C HN 0.789 nan 8.230 nan 0.000 0.459 436 Y N 3.668 123.964 120.300 -0.006 0.000 2.323 436 Y HA 0.659 5.209 4.550 -0.000 0.000 0.331 436 Y C 0.638 176.484 175.900 -0.091 0.000 1.092 436 Y CA 0.097 58.177 58.100 -0.033 0.000 1.150 436 Y CB 1.550 39.988 38.460 -0.036 0.000 1.200 436 Y HN 0.959 nan 8.280 nan 0.000 0.472 437 A N 3.507 126.348 122.820 0.035 0.000 2.539 437 A HA 0.881 5.201 4.320 -0.001 0.000 0.296 437 A C -1.286 176.253 177.584 -0.074 0.000 1.073 437 A CA -0.867 51.136 52.037 -0.057 0.000 0.700 437 A CB 2.084 21.062 19.000 -0.037 0.000 1.296 437 A HN 0.709 nan 8.150 nan 0.000 0.405 438 K N 0.748 121.067 120.400 -0.134 0.000 2.578 438 K HA 0.455 4.774 4.320 -0.001 0.000 0.269 438 K C -1.383 175.189 176.600 -0.047 0.000 0.941 438 K CA -0.371 55.866 56.287 -0.083 0.000 0.847 438 K CB 1.219 33.660 32.500 -0.099 0.000 1.397 438 K HN 0.602 nan 8.250 nan 0.000 0.422 439 D N 2.287 122.698 120.400 0.018 0.000 2.708 439 D HA -0.175 4.465 4.640 -0.001 0.000 0.236 439 D C 0.531 176.859 176.300 0.046 0.000 1.146 439 D CA 2.093 56.131 54.000 0.063 0.000 0.662 439 D CB -1.272 39.617 40.800 0.147 0.000 1.059 439 D HN 1.058 nan 8.370 nan 0.000 0.428 440 G N -0.154 108.655 108.800 0.014 0.000 2.166 440 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.260 440 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.260 440 G C 0.166 175.072 174.900 0.010 0.000 0.986 440 G CA 1.228 46.337 45.100 0.015 0.000 0.683 440 G HN 0.822 nan 8.290 nan 0.000 0.527 441 Q N -1.403 118.384 119.800 -0.022 0.000 2.456 441 Q HA 0.745 5.085 4.340 -0.001 0.000 0.283 441 Q C -0.538 175.395 176.000 -0.113 0.000 1.084 441 Q CA -1.208 54.569 55.803 -0.043 0.000 0.801 441 Q CB 2.121 30.844 28.738 -0.026 0.000 1.434 441 Q HN 0.310 nan 8.270 nan 0.000 0.419 442 V N 3.007 122.868 119.914 -0.088 0.000 2.572 442 V HA 0.068 4.187 4.120 -0.001 0.000 0.291 442 V C 0.905 176.850 176.094 -0.249 0.000 1.039 442 V CA 0.368 62.608 62.300 -0.100 0.000 1.055 442 V CB 0.452 32.257 31.823 -0.030 0.000 0.969 442 V HN 0.848 nan 8.190 nan 0.000 0.482 443 I N 1.511 121.893 120.570 -0.312 0.000 4.288 443 I HA 0.658 4.828 4.170 -0.001 0.000 0.331 443 I C 0.735 176.732 176.117 -0.200 0.000 1.322 443 I CA 0.151 61.095 61.300 -0.594 0.000 1.149 443 I CB 0.912 38.265 38.000 -1.077 0.000 1.112 443 I HN 0.618 nan 8.210 nan 0.000 0.403 444 G N 2.408 111.187 108.800 -0.036 0.000 2.635 444 G HA2 0.610 4.569 3.960 -0.001 0.000 0.295 444 G HA3 0.610 4.569 3.960 -0.001 0.000 0.295 444 G C -1.842 173.156 174.900 0.162 0.000 1.359 444 G CA -0.308 44.821 45.100 0.049 0.000 1.232 444 G HN 0.175 nan 8.290 nan 0.000 0.597 445 I N 1.646 122.288 120.570 0.120 0.000 2.722 445 I HA 0.811 4.980 4.170 -0.001 0.000 0.295 445 I C -0.057 176.124 176.117 0.105 0.000 1.161 445 I CA -0.920 60.454 61.300 0.122 0.000 1.032 445 I CB 2.288 40.328 38.000 0.066 0.000 1.244 445 I HN 0.678 nan 8.210 nan 0.000 0.421 446 G N 5.113 113.981 108.800 0.112 0.000 2.461 446 G HA2 0.820 4.780 3.960 -0.001 0.000 0.323 446 G HA3 0.820 4.780 3.960 -0.001 0.000 0.323 446 G C -1.541 173.401 174.900 0.070 0.000 1.229 446 G CA -0.441 44.716 45.100 0.095 0.000 0.941 446 G HN 0.850 nan 8.290 nan 0.000 0.477 447 A N 0.444 123.298 122.820 0.056 0.000 2.498 447 A HA 0.840 5.159 4.320 -0.001 0.000 0.298 447 A C 0.896 178.506 177.584 0.043 0.000 1.075 447 A CA 0.192 52.254 52.037 0.043 0.000 0.714 447 A CB 1.312 20.331 19.000 0.033 0.000 1.299 447 A HN 2.513 nan 8.150 nan 0.000 0.407 448 G N 0.248 109.069 108.800 0.036 0.000 2.187 448 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.261 448 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.261 448 G C 0.250 175.178 174.900 0.046 0.000 1.000 448 G CA 0.809 45.937 45.100 0.047 0.000 0.718 448 G HN 0.804 nan 8.290 nan 0.000 0.519 449 Q N -0.892 118.937 119.800 0.048 0.000 2.316 449 Q HA 0.487 4.827 4.340 -0.001 0.000 0.215 449 Q C 1.488 177.517 176.000 0.049 0.000 1.020 449 Q CA 0.041 55.882 55.803 0.064 0.000 0.970 449 Q CB 0.383 29.177 28.738 0.093 0.000 1.187 449 Q HN 0.641 nan 8.270 nan 0.000 0.546 450 Q N -0.592 119.251 119.800 0.071 0.000 2.322 450 Q HA 0.165 4.505 4.340 -0.001 0.000 0.250 450 Q C 0.070 176.083 176.000 0.022 0.000 0.853 450 Q CA 0.019 55.843 55.803 0.035 0.000 0.951 450 Q CB 1.081 29.842 28.738 0.039 0.000 1.114 450 Q HN 0.464 nan 8.270 nan 0.000 0.523 451 S N -0.074 115.653 115.700 0.045 0.000 2.472 451 S HA 0.364 4.833 4.470 -0.001 0.000 0.303 451 S C 0.375 174.991 174.600 0.028 0.000 1.099 451 S CA -0.582 57.585 58.200 -0.056 0.000 1.077 451 S CB 1.800 64.756 63.200 -0.406 0.000 1.031 451 S HN 0.126 nan 8.310 nan 0.000 0.487 452 R N 3.337 123.857 120.500 0.034 0.000 2.073 452 R HA 0.014 4.354 4.340 -0.001 0.000 0.234 452 R C 1.875 178.265 176.300 0.151 0.000 1.134 452 R CA 2.110 58.276 56.100 0.108 0.000 0.952 452 R CB -1.108 29.265 30.300 0.121 0.000 0.850 452 R HN 0.755 nan 8.270 nan 0.000 0.433 453 I N 0.411 121.048 120.570 0.112 0.000 2.286 453 I HA -0.230 3.939 4.170 -0.001 0.000 0.248 453 I C 1.738 177.972 176.117 0.194 0.000 1.115 453 I CA 1.742 63.118 61.300 0.127 0.000 1.392 453 I CB -0.451 37.610 38.000 0.102 0.000 1.065 453 I HN 0.341 nan 8.210 nan 0.000 0.418 454 H N -1.617 117.505 119.070 0.087 0.000 2.352 454 H HA -0.239 4.317 4.556 -0.000 0.000 0.299 454 H C 2.466 177.845 175.328 0.084 0.000 1.097 454 H CA 1.463 57.555 56.048 0.072 0.000 1.311 454 H CB -0.218 29.579 29.762 0.059 0.000 1.377 454 H HN 0.482 nan 8.280 nan 0.000 0.504 455 C N 0.560 120.000 119.300 0.235 0.000 2.440 455 C HA -0.108 4.352 4.460 -0.001 0.000 0.278 455 C C 2.806 177.917 174.990 0.201 0.000 1.295 455 C CA 1.448 60.575 59.018 0.182 0.000 1.738 455 C CB -0.931 26.902 27.740 0.154 0.000 1.987 455 C HN 0.544 nan 8.230 nan 0.000 0.492 456 T N 0.223 114.906 114.554 0.215 0.000 2.788 456 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 456 T C 1.965 176.820 174.700 0.259 0.000 1.044 456 T CA 1.331 63.579 62.100 0.248 0.000 1.139 456 T CB -0.244 68.723 68.868 0.164 0.000 0.867 456 T HN 0.608 nan 8.240 nan 0.000 0.454 457 R N 0.254 120.862 120.500 0.180 0.000 2.090 457 R HA 0.169 4.509 4.340 -0.001 0.000 0.228 457 R C 2.488 178.845 176.300 0.095 0.000 1.110 457 R CA 0.719 56.895 56.100 0.126 0.000 0.973 457 R CB -0.454 29.910 30.300 0.107 0.000 0.869 457 R HN 0.313 nan 8.270 nan 0.000 0.440 458 L N 0.435 121.721 121.223 0.106 0.000 2.046 458 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 458 L C 2.317 179.236 176.870 0.082 0.000 1.077 458 L CA 1.556 56.441 54.840 0.076 0.000 0.747 458 L CB -0.298 41.807 42.059 0.077 0.000 0.896 458 L HN 0.192 nan 8.230 nan 0.000 0.432 459 A N -0.359 122.549 122.820 0.147 0.000 1.930 459 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 459 A C 2.268 179.806 177.584 -0.078 0.000 1.175 459 A CA 1.312 53.450 52.037 0.170 0.000 0.627 459 A CB -1.278 17.960 19.000 0.396 0.000 0.815 459 A HN 0.535 nan 8.150 nan 0.000 0.443 460 G N -0.209 108.509 108.800 -0.136 0.000 2.422 460 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 460 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 460 G C 1.094 175.845 174.900 -0.249 0.000 1.146 460 G CA 1.183 45.969 45.100 -0.524 0.000 0.769 460 G HN 0.445 nan 8.290 nan 0.000 0.547 461 D N 0.473 120.827 120.400 -0.077 0.000 2.178 461 D HA -0.013 4.627 4.640 -0.001 0.000 0.202 461 D C 2.434 178.746 176.300 0.020 0.000 0.974 461 D CA 0.698 54.692 54.000 -0.010 0.000 0.841 461 D CB -0.064 40.745 40.800 0.015 0.000 0.953 461 D HN 0.296 nan 8.370 nan 0.000 0.478 462 K N 0.545 120.952 120.400 0.011 0.000 2.097 462 K HA 0.021 4.341 4.320 -0.001 0.000 0.205 462 K C 2.075 178.739 176.600 0.107 0.000 1.050 462 K CA 0.924 57.252 56.287 0.068 0.000 0.938 462 K CB 0.033 32.574 32.500 0.067 0.000 0.718 462 K HN -0.002 nan 8.250 nan 0.000 0.442 463 A N 1.825 124.635 122.820 -0.018 0.000 1.930 463 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 463 A C 1.744 179.473 177.584 0.241 0.000 1.175 463 A CA 1.494 53.555 52.037 0.039 0.000 0.627 463 A CB -0.428 18.384 19.000 -0.313 0.000 0.815 463 A HN 0.210 nan 8.150 nan 0.000 0.443 464 N N 0.477 119.263 118.700 0.144 0.000 2.069 464 N HA -0.109 4.631 4.740 -0.001 0.000 0.191 464 N C 1.984 177.686 175.510 0.321 0.000 1.031 464 N CA 1.737 54.930 53.050 0.239 0.000 0.852 464 N CB -0.529 38.043 38.487 0.141 0.000 1.018 464 N HN 0.428 nan 8.380 nan 0.000 0.423 465 S N -0.104 115.749 115.700 0.254 0.000 2.368 465 S HA -0.151 4.319 4.470 -0.001 0.000 0.225 465 S C 1.627 176.425 174.600 0.329 0.000 1.030 465 S CA 0.955 59.301 58.200 0.243 0.000 0.999 465 S CB -0.417 62.896 63.200 0.188 0.000 0.844 465 S HN 0.569 nan 8.310 nan 0.000 0.459 466 W N 1.482 122.924 121.300 0.236 0.000 2.335 466 W HA -0.149 4.511 4.660 -0.000 0.000 0.311 466 W C 2.174 179.013 176.519 0.532 0.000 1.213 466 W CA 1.368 58.901 57.345 0.312 0.000 1.274 466 W CB -0.540 29.081 29.460 0.268 0.000 1.148 466 W HN 0.425 nan 8.180 nan 0.000 0.498 467 W N 0.480 121.991 121.300 0.350 0.000 2.381 467 W HA -0.190 4.470 4.660 -0.000 0.000 0.301 467 W C 1.785 178.567 176.519 0.439 0.000 1.205 467 W CA 1.238 58.699 57.345 0.194 0.000 1.285 467 W CB -0.519 29.088 29.460 0.244 0.000 1.133 467 W HN -0.151 nan 8.180 nan 0.000 0.521 468 L N 0.682 122.091 121.223 0.310 0.000 2.265 468 L HA -0.169 4.170 4.340 -0.001 0.000 0.215 468 L C 2.428 179.281 176.870 -0.029 0.000 1.117 468 L CA 1.117 56.025 54.840 0.113 0.000 0.782 468 L CB -0.615 41.526 42.059 0.137 0.000 0.914 468 L HN -0.097 nan 8.230 nan 0.000 0.441 469 R N -1.224 119.278 120.500 0.003 0.000 2.316 469 R HA -0.094 4.246 4.340 -0.001 0.000 0.202 469 R C 1.317 177.441 176.300 -0.293 0.000 1.029 469 R CA 0.529 56.559 56.100 -0.118 0.000 1.018 469 R CB -0.138 30.080 30.300 -0.137 0.000 0.888 469 R HN 0.427 nan 8.270 nan 0.000 0.471 470 H N -1.783 117.086 119.070 -0.334 0.000 2.551 470 H HA 0.078 4.633 4.556 -0.001 0.000 0.271 470 H C 0.169 175.195 175.328 -0.504 0.000 0.984 470 H CA -0.091 55.741 56.048 -0.361 0.000 1.164 470 H CB 0.036 29.528 29.762 -0.451 0.000 1.437 470 H HN 0.081 nan 8.280 nan 0.000 0.550 471 H N 1.833 120.435 119.070 -0.779 0.000 2.928 471 H HA -0.039 4.517 4.556 -0.001 0.000 0.338 471 H C -1.638 173.247 175.328 -0.738 0.000 1.047 471 H CA -1.567 53.667 56.048 -1.357 0.000 1.435 471 H CB 1.287 30.359 29.762 -1.150 0.000 1.428 471 H HN 0.112 nan 8.280 nan 0.000 0.590 472 P HA -0.206 nan 4.420 nan 0.000 0.216 472 P C 1.620 178.855 177.300 -0.108 0.000 1.157 472 P CA 1.848 64.751 63.100 -0.329 0.000 0.880 472 P CB 0.063 31.553 31.700 -0.349 0.000 0.791 473 R N -0.346 120.218 120.500 0.106 0.000 2.120 473 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 473 R C 1.861 178.091 176.300 -0.117 0.000 1.123 473 R CA 1.290 57.388 56.100 -0.003 0.000 0.975 473 R CB -0.668 29.623 30.300 -0.015 0.000 0.866 473 R HN 0.054 nan 8.270 nan 0.000 0.446 474 V N 0.970 120.819 119.914 -0.109 0.000 2.323 474 V HA -0.206 3.914 4.120 -0.001 0.000 0.244 474 V C 2.247 178.266 176.094 -0.124 0.000 1.041 474 V CA 1.499 63.704 62.300 -0.157 0.000 1.025 474 V CB -0.294 31.469 31.823 -0.100 0.000 0.656 474 V HN 0.326 nan 8.190 nan 0.000 0.451 475 L N 0.560 121.702 121.223 -0.136 0.000 2.141 475 L HA -0.037 4.303 4.340 -0.001 0.000 0.209 475 L C 1.746 178.555 176.870 -0.102 0.000 1.094 475 L CA 0.972 55.736 54.840 -0.127 0.000 0.763 475 L CB -0.559 41.414 42.059 -0.143 0.000 0.908 475 L HN 0.516 nan 8.230 nan 0.000 0.437 479 F N 2.118 121.993 119.950 -0.125 0.000 2.717 479 F HA 0.072 4.598 4.527 -0.000 0.000 0.295 479 F C 0.962 176.634 175.800 -0.213 0.000 1.117 479 F CA 0.744 58.585 58.000 -0.265 0.000 1.361 479 F CB 0.414 39.222 39.000 -0.321 0.000 1.112 479 F HN 0.773 nan 8.300 nan 0.000 0.594 480 K N -0.004 120.409 120.400 0.020 0.000 2.415 480 K HA -0.146 4.174 4.320 -0.001 0.000 0.845 480 K C -0.861 175.734 176.600 -0.008 0.000 2.280 480 K CA 0.075 56.354 56.287 -0.012 0.000 1.466 480 K CB -1.331 31.144 32.500 -0.042 0.000 2.745 480 K HN 0.061 nan 8.250 nan 0.000 0.172 481 A N 1.119 123.928 122.820 -0.018 0.000 2.363 481 A HA 0.598 4.917 4.320 -0.001 0.000 0.270 481 A C 1.423 178.991 177.584 -0.026 0.000 1.121 481 A CA 1.038 53.062 52.037 -0.021 0.000 0.800 481 A CB 0.119 19.108 19.000 -0.018 0.000 1.052 481 A HN 2.141 nan 8.150 nan 0.000 0.493 482 G N 0.944 109.727 108.800 -0.030 0.000 2.279 482 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.223 482 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.223 482 G C 0.301 175.175 174.900 -0.042 0.000 1.015 482 G CA -0.041 45.040 45.100 -0.031 0.000 0.621 482 G HN 1.461 nan 8.290 nan 0.000 0.506 483 V N 3.162 123.045 119.914 -0.052 0.000 2.434 483 V HA 0.227 4.347 4.120 -0.001 0.000 0.281 483 V C 1.010 177.041 176.094 -0.105 0.000 1.005 483 V CA 0.505 62.758 62.300 -0.078 0.000 1.089 483 V CB 0.581 32.359 31.823 -0.075 0.000 0.978 483 V HN 0.401 nan 8.190 nan 0.000 0.474 484 K N 5.069 125.417 120.400 -0.086 0.000 2.326 484 K HA 0.163 4.483 4.320 -0.001 0.000 0.275 484 K C 1.473 177.999 176.600 -0.123 0.000 1.018 484 K CA -0.454 55.786 56.287 -0.079 0.000 0.962 484 K CB 0.720 33.197 32.500 -0.040 0.000 0.953 484 K HN 0.682 nan 8.250 nan 0.000 0.475 485 R N 1.504 121.933 120.500 -0.118 0.000 2.276 485 R HA -0.217 4.123 4.340 -0.001 0.000 0.243 485 R C 1.467 177.698 176.300 -0.114 0.000 1.161 485 R CA 1.619 57.630 56.100 -0.149 0.000 1.007 485 R CB -0.493 29.749 30.300 -0.098 0.000 0.867 485 R HN 0.604 nan 8.270 nan 0.000 0.472 486 A N 1.411 124.199 122.820 -0.052 0.000 2.016 486 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 486 A C 1.732 179.311 177.584 -0.009 0.000 1.162 486 A CA 0.763 52.811 52.037 0.019 0.000 0.662 486 A CB 0.011 19.061 19.000 0.083 0.000 0.812 486 A HN 0.246 nan 8.150 nan 0.000 0.450 487 E N 0.117 120.277 120.200 -0.066 0.000 2.107 487 E HA -0.074 4.276 4.350 -0.001 0.000 0.191 487 E C 2.129 178.649 176.600 -0.134 0.000 0.982 487 E CA 1.159 57.517 56.400 -0.070 0.000 0.809 487 E CB -0.823 28.830 29.700 -0.077 0.000 0.756 487 E HN 0.362 nan 8.360 nan 0.000 0.459 488 V N 1.541 121.252 119.914 -0.338 0.000 2.392 488 V HA -0.230 3.889 4.120 -0.001 0.000 0.249 488 V C 2.389 178.344 176.094 -0.232 0.000 1.059 488 V CA 1.771 63.690 62.300 -0.635 0.000 1.051 488 V CB -0.573 30.653 31.823 -0.996 0.000 0.658 488 V HN 0.175 nan 8.190 nan 0.000 0.455 489 S N 0.324 115.955 115.700 -0.114 0.000 2.343 489 S HA -0.197 4.273 4.470 -0.001 0.000 0.219 489 S C 1.963 176.603 174.600 0.067 0.000 1.033 489 S CA 1.589 59.787 58.200 -0.002 0.000 1.014 489 S CB -0.467 62.754 63.200 0.036 0.000 0.915 489 S HN 0.606 nan 8.310 nan 0.000 0.435 490 N N 1.517 120.257 118.700 0.066 0.000 2.166 490 N HA -0.038 4.702 4.740 -0.001 0.000 0.186 490 N C 1.777 177.405 175.510 0.197 0.000 1.019 490 N CA 1.200 54.308 53.050 0.096 0.000 0.856 490 N CB -0.543 37.979 38.487 0.059 0.000 0.993 490 N HN 0.396 nan 8.380 nan 0.000 0.426 491 A N 1.681 124.656 122.820 0.260 0.000 1.835 491 A HA -0.097 4.223 4.320 -0.001 0.000 0.215 491 A C 2.354 180.299 177.584 0.601 0.000 1.199 491 A CA 1.080 53.441 52.037 0.539 0.000 0.615 491 A CB -0.917 18.375 19.000 0.487 0.000 0.838 491 A HN 0.203 nan 8.150 nan 0.000 0.444 492 I N 0.145 120.969 120.570 0.423 0.000 2.185 492 I HA -0.321 3.849 4.170 -0.001 0.000 0.246 492 I C 1.902 178.208 176.117 0.315 0.000 1.088 492 I CA 1.816 63.330 61.300 0.357 0.000 1.347 492 I CB -0.577 37.529 38.000 0.177 0.000 1.041 492 I HN 0.357 nan 8.210 nan 0.000 0.415 493 D N 0.264 120.799 120.400 0.225 0.000 2.144 493 D HA -0.183 4.457 4.640 -0.001 0.000 0.200 493 D C 2.233 178.621 176.300 0.147 0.000 0.978 493 D CA 1.185 55.285 54.000 0.167 0.000 0.833 493 D CB -0.232 40.642 40.800 0.125 0.000 0.961 493 D HN 0.478 nan 8.370 nan 0.000 0.470 494 Q N -0.571 119.328 119.800 0.165 0.000 2.119 494 Q HA -0.167 4.173 4.340 -0.001 0.000 0.201 494 Q C 2.002 178.005 176.000 0.004 0.000 0.972 494 Q CA 0.900 56.738 55.803 0.057 0.000 0.847 494 Q CB -0.170 28.586 28.738 0.030 0.000 0.903 494 Q HN 0.374 nan 8.270 nan 0.000 0.433 495 Y N 0.729 121.036 120.300 0.011 0.000 2.145 495 Y HA -0.238 4.312 4.550 -0.001 0.000 0.286 495 Y C 2.042 177.913 175.900 -0.048 0.000 1.145 495 Y CA 1.655 59.737 58.100 -0.029 0.000 1.148 495 Y CB -0.155 38.471 38.460 0.276 0.000 0.981 495 Y HN 0.045 nan 8.280 nan 0.000 0.507 496 V N -2.245 117.730 119.914 0.102 0.000 3.041 496 V HA -0.050 4.070 4.120 -0.001 0.000 0.260 496 V C 1.584 177.648 176.094 -0.049 0.000 1.105 496 V CA 1.845 64.138 62.300 -0.011 0.000 1.125 496 V CB -1.237 30.651 31.823 0.109 0.000 0.730 496 V HN 0.598 nan 8.190 nan 0.000 0.479 497 T N -3.543 110.989 114.554 -0.038 0.000 3.054 497 T HA 0.434 4.783 4.350 -0.001 0.000 0.255 497 T C 1.505 176.152 174.700 -0.088 0.000 1.035 497 T CA 0.562 62.639 62.100 -0.038 0.000 0.941 497 T CB 0.194 69.064 68.868 0.002 0.000 1.026 497 T HN 1.605 nan 8.240 nan 0.000 0.533 498 G N 2.248 110.954 108.800 -0.156 0.000 2.272 498 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.280 498 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.280 498 G C 0.407 175.215 174.900 -0.152 0.000 1.067 498 G CA 0.464 45.450 45.100 -0.191 0.000 0.902 498 G HN 1.155 nan 8.290 nan 0.000 0.500 499 T N -2.859 111.611 114.554 -0.140 0.000 3.296 499 T HA 0.528 4.878 4.350 -0.001 0.000 0.285 499 T C 1.922 176.543 174.700 -0.132 0.000 1.014 499 T CA 0.375 62.412 62.100 -0.106 0.000 0.920 499 T CB 0.158 68.993 68.868 -0.055 0.000 1.143 499 T HN 0.178 nan 8.240 nan 0.000 0.522 500 I N 2.107 122.535 120.570 -0.237 0.000 2.163 500 I HA 0.327 4.497 4.170 -0.001 0.000 0.240 500 I C 1.727 177.747 176.117 -0.163 0.000 1.081 500 I CA 1.645 62.760 61.300 -0.309 0.000 1.353 500 I CB -0.659 36.959 38.000 -0.637 0.000 1.054 500 I HN 0.741 nan 8.210 nan 0.000 0.407 501 G N 0.192 108.903 108.800 -0.148 0.000 2.555 501 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.686 501 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.686 501 G C -0.802 174.057 174.900 -0.069 0.000 1.275 501 G CA -0.921 44.129 45.100 -0.082 0.000 0.871 501 G HN 0.026 nan 8.290 nan 0.000 0.603 502 E N 0.313 120.488 120.200 -0.042 0.000 2.446 502 E HA 0.559 4.909 4.350 -0.001 0.000 0.251 502 E C 1.060 177.657 176.600 -0.004 0.000 1.087 502 E CA 0.183 56.566 56.400 -0.028 0.000 0.937 502 E CB 0.341 30.025 29.700 -0.027 0.000 1.254 502 E HN 0.656 nan 8.360 nan 0.000 0.479 503 D N 0.501 120.903 120.400 0.003 0.000 4.049 503 D HA -0.259 4.380 4.640 -0.001 0.000 0.154 503 D C 1.195 177.514 176.300 0.030 0.000 0.764 503 D CA 1.946 55.955 54.000 0.014 0.000 1.058 503 D CB -0.663 40.142 40.800 0.009 0.000 0.472 503 D HN 0.549 nan 8.370 nan 0.000 0.449 504 E N 1.368 121.585 120.200 0.029 0.000 2.150 504 E HA -0.104 4.245 4.350 -0.001 0.000 0.193 504 E C 1.573 178.207 176.600 0.056 0.000 0.985 504 E CA 1.085 57.508 56.400 0.039 0.000 0.814 504 E CB -0.219 29.498 29.700 0.029 0.000 0.752 504 E HN 0.464 nan 8.360 nan 0.000 0.466 505 D N 1.316 121.743 120.400 0.045 0.000 2.081 505 D HA -0.135 4.505 4.640 -0.001 0.000 0.194 505 D C 2.158 178.517 176.300 0.099 0.000 0.986 505 D CA 0.662 54.694 54.000 0.054 0.000 0.837 505 D CB -0.466 40.342 40.800 0.012 0.000 0.985 505 D HN 0.068 nan 8.370 nan 0.000 0.448 506 L N 1.236 122.498 121.223 0.066 0.000 1.990 506 L HA -0.182 4.158 4.340 -0.001 0.000 0.213 506 L C 2.406 179.408 176.870 0.220 0.000 1.072 506 L CA 1.456 56.363 54.840 0.112 0.000 0.755 506 L CB -0.746 41.338 42.059 0.041 0.000 0.889 506 L HN -0.109 nan 8.230 nan 0.000 0.432 507 V N -0.290 119.710 119.914 0.144 0.000 2.380 507 V HA -0.374 3.745 4.120 -0.001 0.000 0.251 507 V C 2.690 178.880 176.094 0.160 0.000 1.063 507 V CA 2.230 64.611 62.300 0.135 0.000 1.055 507 V CB -0.698 31.173 31.823 0.081 0.000 0.657 507 V HN 0.531 nan 8.190 nan 0.000 0.455 508 K N -1.016 119.482 120.400 0.165 0.000 1.985 508 K HA -0.259 4.061 4.320 -0.001 0.000 0.210 508 K C 1.866 178.594 176.600 0.213 0.000 1.047 508 K CA 2.171 58.550 56.287 0.153 0.000 0.932 508 K CB -0.507 32.077 32.500 0.139 0.000 0.716 508 K HN 0.487 nan 8.250 nan 0.000 0.439 509 W N 1.977 123.336 121.300 0.098 0.000 2.289 509 W HA -0.323 4.337 4.660 -0.001 0.000 0.331 509 W C 1.955 178.661 176.519 0.312 0.000 1.283 509 W CA 2.520 59.973 57.345 0.180 0.000 1.252 509 W CB -0.560 29.030 29.460 0.216 0.000 1.153 509 W HN 0.259 nan 8.180 nan 0.000 0.467 510 Q N 0.219 120.308 119.800 0.483 0.000 2.197 510 Q HA -0.112 4.228 4.340 -0.001 0.000 0.207 510 Q C 1.428 177.525 176.000 0.162 0.000 0.984 510 Q CA 0.944 56.920 55.803 0.289 0.000 0.869 510 Q CB -0.879 27.998 28.738 0.232 0.000 0.906 510 Q HN 0.308 nan 8.270 nan 0.000 0.426 514 E N -0.043 120.131 120.200 -0.044 0.000 2.170 514 E HA -0.024 4.326 4.350 -0.001 0.000 0.191 514 E C -0.056 176.517 176.600 -0.045 0.000 0.981 514 E CA 0.634 57.009 56.400 -0.042 0.000 0.830 514 E CB 0.783 30.458 29.700 -0.042 0.000 0.775 514 E HN 0.522 nan 8.360 nan 0.000 0.470 515 E N 1.275 121.437 120.200 -0.064 0.000 2.255 515 E HA 0.217 4.566 4.350 -0.001 0.000 0.256 515 E C -1.251 175.227 176.600 -0.203 0.000 0.887 515 E CA -0.450 55.888 56.400 -0.104 0.000 0.782 515 E CB 1.700 31.342 29.700 -0.097 0.000 1.214 515 E HN -0.182 nan 8.360 nan 0.000 0.417 516 V N 6.524 126.294 119.914 -0.240 0.000 2.529 516 V HA 0.157 4.277 4.120 -0.001 0.000 0.292 516 V C -1.530 174.312 176.094 -0.420 0.000 1.028 516 V CA -0.883 61.137 62.300 -0.466 0.000 1.074 516 V CB 0.285 31.948 31.823 -0.266 0.000 0.958 516 V HN 0.671 nan 8.190 nan 0.000 0.481 517 P HA 0.359 nan 4.420 nan 0.000 0.278 517 P C -0.548 176.695 177.300 -0.095 0.000 1.238 517 P CA -0.366 62.531 63.100 -0.338 0.000 0.794 517 P CB 1.155 32.558 31.700 -0.494 0.000 0.955 518 A N 3.403 126.201 122.820 -0.037 0.000 2.450 518 A HA 0.106 4.426 4.320 -0.001 0.000 0.255 518 A C 0.683 178.316 177.584 0.082 0.000 1.096 518 A CA -0.285 51.757 52.037 0.009 0.000 0.778 518 A CB -0.247 18.742 19.000 -0.017 0.000 1.031 518 A HN 0.499 nan 8.150 nan 0.000 0.494 519 Q N 1.078 120.900 119.800 0.037 0.000 2.315 519 Q HA 0.087 4.426 4.340 -0.001 0.000 0.289 519 Q C -0.277 175.628 176.000 -0.158 0.000 1.044 519 Q CA 0.526 56.284 55.803 -0.075 0.000 0.920 519 Q CB 0.553 29.207 28.738 -0.141 0.000 1.214 519 Q HN 0.655 nan 8.270 nan 0.000 0.392 520 L N 2.765 123.785 121.223 -0.339 0.000 2.319 520 L HA 0.134 4.474 4.340 -0.001 0.000 0.280 520 L C 1.021 177.755 176.870 -0.226 0.000 1.099 520 L CA -0.255 54.410 54.840 -0.291 0.000 0.828 520 L CB 0.754 42.561 42.059 -0.421 0.000 1.150 520 L HN 0.710 nan 8.230 nan 0.000 0.442 521 T N -1.210 113.261 114.554 -0.138 0.000 2.816 521 T HA 0.120 4.470 4.350 -0.001 0.000 0.282 521 T C 0.982 175.636 174.700 -0.078 0.000 0.993 521 T CA -0.789 61.252 62.100 -0.098 0.000 0.994 521 T CB 1.415 70.248 68.868 -0.058 0.000 1.025 521 T HN 0.489 nan 8.240 nan 0.000 0.529 522 E N 0.482 120.648 120.200 -0.057 0.000 2.153 522 E HA -0.085 4.264 4.350 -0.001 0.000 0.194 522 E C 2.333 178.933 176.600 -0.000 0.000 0.988 522 E CA 1.337 57.719 56.400 -0.031 0.000 0.811 522 E CB -0.669 29.015 29.700 -0.026 0.000 0.746 522 E HN 0.816 nan 8.360 nan 0.000 0.466 523 A N 1.000 123.821 122.820 0.001 0.000 1.968 523 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 523 A C 1.955 179.569 177.584 0.049 0.000 1.169 523 A CA 1.198 53.250 52.037 0.024 0.000 0.638 523 A CB -0.247 18.763 19.000 0.016 0.000 0.812 523 A HN 0.190 nan 8.150 nan 0.000 0.446 524 E N -0.081 120.140 120.200 0.035 0.000 2.112 524 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 524 E C 1.953 178.629 176.600 0.127 0.000 0.979 524 E CA 1.033 57.476 56.400 0.072 0.000 0.814 524 E CB -0.101 29.603 29.700 0.007 0.000 0.762 524 E HN 0.565 nan 8.360 nan 0.000 0.460 525 K N 1.206 121.648 120.400 0.071 0.000 2.025 525 K HA -0.148 4.171 4.320 -0.001 0.000 0.207 525 K C 2.202 178.924 176.600 0.203 0.000 1.049 525 K CA 1.020 57.383 56.287 0.127 0.000 0.933 525 K CB -0.089 32.438 32.500 0.044 0.000 0.714 525 K HN -0.068 nan 8.250 nan 0.000 0.438 526 K N 1.661 122.142 120.400 0.135 0.000 2.063 526 K HA -0.280 4.040 4.320 -0.001 0.000 0.208 526 K C 2.335 179.030 176.600 0.158 0.000 1.048 526 K CA 1.761 58.123 56.287 0.126 0.000 0.928 526 K CB -0.008 32.539 32.500 0.078 0.000 0.713 526 K HN 0.162 nan 8.250 nan 0.000 0.442 527 Q N -0.131 119.774 119.800 0.175 0.000 2.050 527 Q HA -0.222 4.118 4.340 -0.001 0.000 0.202 527 Q C 2.000 178.160 176.000 0.267 0.000 0.980 527 Q CA 1.645 57.560 55.803 0.187 0.000 0.840 527 Q CB -0.362 28.486 28.738 0.183 0.000 0.898 527 Q HN 0.617 nan 8.270 nan 0.000 0.424 528 W N 1.010 122.404 121.300 0.157 0.000 2.379 528 W HA -0.179 4.481 4.660 -0.000 0.000 0.307 528 W C 1.739 178.494 176.519 0.394 0.000 1.200 528 W CA 1.121 58.588 57.345 0.203 0.000 1.297 528 W CB -0.203 29.362 29.460 0.176 0.000 1.140 528 W HN 0.199 nan 8.180 nan 0.000 0.507 529 I N 1.568 122.382 120.570 0.408 0.000 2.248 529 I HA -0.323 3.847 4.170 -0.001 0.000 0.248 529 I C 2.614 178.793 176.117 0.103 0.000 1.107 529 I CA 1.612 63.117 61.300 0.341 0.000 1.373 529 I CB -0.886 37.274 38.000 0.266 0.000 1.055 529 I HN -0.046 nan 8.210 nan 0.000 0.418 530 A N 0.411 123.278 122.820 0.077 0.000 2.125 530 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 530 A C 2.185 179.728 177.584 -0.067 0.000 1.156 530 A CA 1.250 53.287 52.037 0.000 0.000 0.671 530 A CB -0.385 18.630 19.000 0.025 0.000 0.794 530 A HN 0.382 nan 8.150 nan 0.000 0.459 531 K N -1.157 119.189 120.400 -0.090 0.000 2.305 531 K HA 0.098 4.418 4.320 -0.001 0.000 0.199 531 K C 0.150 176.557 176.600 -0.322 0.000 1.047 531 K CA -0.125 56.060 56.287 -0.170 0.000 0.976 531 K CB -0.183 32.177 32.500 -0.232 0.000 0.765 531 K HN 0.408 nan 8.250 nan 0.000 0.474 532 L N 2.031 122.915 121.223 -0.566 0.000 2.416 532 L HA 0.060 4.399 4.340 -0.001 0.000 0.272 532 L C 0.072 176.664 176.870 -0.464 0.000 1.161 532 L CA 0.746 55.042 54.840 -0.908 0.000 0.845 532 L CB 0.727 41.962 42.059 -1.374 0.000 1.119 532 L HN 0.146 nan 8.230 nan 0.000 0.464 533 T N 1.570 115.900 114.554 -0.373 0.000 2.838 533 T HA 0.707 5.056 4.350 -0.001 0.000 0.292 533 T C 0.212 174.823 174.700 -0.149 0.000 1.113 533 T CA -0.455 61.514 62.100 -0.218 0.000 1.008 533 T CB 1.284 70.057 68.868 -0.159 0.000 1.259 533 T HN 1.688 nan 8.240 nan 0.000 0.520 534 A N -0.091 122.670 122.820 -0.099 0.000 2.745 534 A HA 0.019 4.339 4.320 -0.001 0.000 0.296 534 A C 0.303 177.952 177.584 0.109 0.000 1.500 534 A CA 0.573 52.636 52.037 0.043 0.000 0.766 534 A CB -2.596 16.481 19.000 0.128 0.000 1.030 534 A HN 1.262 nan 8.150 nan 0.000 0.489 535 V N 0.426 120.351 119.914 0.019 0.000 2.644 535 V HA 0.617 4.737 4.120 -0.001 0.000 0.295 535 V C 0.906 177.079 176.094 0.131 0.000 1.053 535 V CA 0.102 62.435 62.300 0.055 0.000 0.987 535 V CB 1.906 33.748 31.823 0.032 0.000 1.006 535 V HN 0.650 nan 8.190 nan 0.000 0.472 536 S N 3.363 119.132 115.700 0.115 0.000 2.638 536 S HA 0.814 5.284 4.470 -0.001 0.000 0.298 536 S C -0.719 173.870 174.600 -0.018 0.000 1.111 536 S CA -0.511 57.746 58.200 0.096 0.000 1.027 536 S CB 1.603 64.825 63.200 0.036 0.000 1.064 536 S HN 0.627 nan 8.310 nan 0.000 0.525 537 L N 1.414 122.598 121.223 -0.065 0.000 2.455 537 L HA 0.734 5.073 4.340 -0.001 0.000 0.264 537 L C -0.995 175.823 176.870 -0.086 0.000 0.968 537 L CA -0.126 54.611 54.840 -0.172 0.000 0.827 537 L CB 2.108 43.971 42.059 -0.327 0.000 1.317 537 L HN 0.674 nan 8.230 nan 0.000 0.407 538 S N 2.181 117.829 115.700 -0.085 0.000 2.521 538 S HA 0.707 5.177 4.470 -0.001 0.000 0.295 538 S C -1.230 173.330 174.600 -0.068 0.000 1.098 538 S CA -0.373 57.798 58.200 -0.049 0.000 0.999 538 S CB 1.852 65.043 63.200 -0.014 0.000 1.034 538 S HN 0.686 nan 8.310 nan 0.000 0.483 539 S N 1.833 117.455 115.700 -0.130 0.000 2.500 539 S HA 0.386 4.856 4.470 -0.001 0.000 0.301 539 S C 0.345 174.839 174.600 -0.176 0.000 1.092 539 S CA -0.635 57.453 58.200 -0.187 0.000 1.030 539 S CB 1.180 64.066 63.200 -0.524 0.000 1.031 539 S HN 0.854 nan 8.310 nan 0.000 0.483 540 D N 2.914 123.254 120.400 -0.099 0.000 2.347 540 D HA 0.257 4.896 4.640 -0.001 0.000 0.215 540 D C 0.476 176.648 176.300 -0.214 0.000 0.976 540 D CA 0.437 54.384 54.000 -0.089 0.000 0.884 540 D CB 0.015 40.846 40.800 0.053 0.000 0.915 540 D HN 0.527 nan 8.370 nan 0.000 0.526 541 A N -0.407 122.266 122.820 -0.246 0.000 2.566 541 A HA 0.581 4.901 4.320 -0.001 0.000 0.292 541 A C -0.622 176.714 177.584 -0.413 0.000 1.112 541 A CA -1.131 50.670 52.037 -0.394 0.000 0.707 541 A CB 0.658 19.450 19.000 -0.346 0.000 1.302 541 A HN 0.157 nan 8.150 nan 0.000 0.409 542 F N -0.606 119.171 119.950 -0.288 0.000 2.545 542 F HA 0.616 5.143 4.527 -0.001 0.000 0.348 542 F C -0.720 174.955 175.800 -0.208 0.000 1.163 542 F CA -0.862 56.956 58.000 -0.303 0.000 1.331 542 F CB -0.223 38.632 39.000 -0.243 0.000 1.138 542 F HN 0.255 nan 8.300 nan 0.000 0.602 543 F N 3.195 123.292 119.950 0.245 0.000 2.445 543 F HA 0.344 4.871 4.527 -0.000 0.000 0.359 543 F C -1.501 174.401 175.800 0.170 0.000 1.101 543 F CA -2.321 55.763 58.000 0.140 0.000 1.177 543 F CB 0.593 39.661 39.000 0.114 0.000 1.110 543 F HN 0.325 nan 8.300 nan 0.000 0.522 544 P HA -0.074 nan 4.420 nan 0.000 0.215 544 P C -0.445 176.474 177.300 -0.635 0.000 1.157 544 P CA 1.560 64.518 63.100 -0.236 0.000 0.859 544 P CB 0.286 31.751 31.700 -0.392 0.000 0.786 545 F N -2.746 117.306 119.950 0.170 0.000 2.675 545 F HA 0.383 4.910 4.527 -0.000 0.000 0.324 545 F C 1.645 177.469 175.800 0.040 0.000 1.106 545 F CA -1.046 57.009 58.000 0.091 0.000 0.970 545 F CB 0.491 39.523 39.000 0.055 0.000 1.385 545 F HN -0.388 nan 8.300 nan 0.000 0.489 546 R N -0.279 120.359 120.500 0.229 0.000 2.307 546 R HA -0.020 4.320 4.340 -0.001 0.000 0.199 546 R C 0.570 176.872 176.300 0.004 0.000 1.000 546 R CA 1.346 57.488 56.100 0.070 0.000 1.023 546 R CB -0.726 29.609 30.300 0.059 0.000 0.908 546 R HN 0.623 nan 8.270 nan 0.000 0.473 547 D N 1.027 121.458 120.400 0.051 0.000 2.221 547 D HA -0.219 4.421 4.640 -0.001 0.000 0.204 547 D C 1.037 177.301 176.300 -0.061 0.000 0.982 547 D CA 1.068 55.072 54.000 0.007 0.000 0.857 547 D CB -0.509 40.315 40.800 0.041 0.000 0.934 547 D HN 0.266 nan 8.370 nan 0.000 0.475 548 N N 0.360 118.966 118.700 -0.158 0.000 2.120 548 N HA -0.092 4.648 4.740 -0.001 0.000 0.188 548 N C 1.996 177.270 175.510 -0.394 0.000 1.024 548 N CA 1.147 53.973 53.050 -0.373 0.000 0.852 548 N CB -0.053 37.877 38.487 -0.929 0.000 1.003 548 N HN 0.181 nan 8.380 nan 0.000 0.424 549 V N 2.182 121.882 119.914 -0.356 0.000 2.358 549 V HA -0.174 3.946 4.120 -0.001 0.000 0.246 549 V C 1.798 177.821 176.094 -0.119 0.000 1.047 549 V CA 1.530 63.693 62.300 -0.229 0.000 1.035 549 V CB -0.447 31.286 31.823 -0.150 0.000 0.658 549 V HN 0.187 nan 8.190 nan 0.000 0.452 550 D N 0.037 120.386 120.400 -0.084 0.000 2.117 550 D HA -0.194 4.446 4.640 -0.001 0.000 0.197 550 D C 2.313 178.597 176.300 -0.026 0.000 0.987 550 D CA 1.456 55.429 54.000 -0.045 0.000 0.829 550 D CB -0.187 40.596 40.800 -0.029 0.000 0.961 550 D HN 0.261 nan 8.370 nan 0.000 0.460 551 R N 1.402 121.891 120.500 -0.019 0.000 2.081 551 R HA -0.051 4.289 4.340 -0.001 0.000 0.235 551 R C 2.051 178.390 176.300 0.066 0.000 1.131 551 R CA 1.781 57.897 56.100 0.025 0.000 0.960 551 R CB -0.783 29.545 30.300 0.047 0.000 0.856 551 R HN 0.069 nan 8.270 nan 0.000 0.436 552 A N 0.748 123.602 122.820 0.057 0.000 1.883 552 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 552 A C 2.091 179.722 177.584 0.078 0.000 1.186 552 A CA 2.037 54.155 52.037 0.135 0.000 0.624 552 A CB -0.653 18.337 19.000 -0.016 0.000 0.822 552 A HN 0.355 nan 8.150 nan 0.000 0.444 553 K N 0.083 120.481 120.400 -0.004 0.000 2.103 553 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 553 K C 1.951 178.536 176.600 -0.025 0.000 1.048 553 K CA 1.714 57.980 56.287 -0.035 0.000 0.930 553 K CB -0.340 32.129 32.500 -0.051 0.000 0.716 553 K HN 0.435 nan 8.250 nan 0.000 0.444 554 R N -0.655 119.843 120.500 -0.004 0.000 2.293 554 R HA -0.016 4.324 4.340 -0.001 0.000 0.219 554 R C 0.935 177.229 176.300 -0.011 0.000 1.091 554 R CA 0.953 57.050 56.100 -0.004 0.000 1.004 554 R CB -0.101 30.205 30.300 0.009 0.000 0.865 554 R HN 0.205 nan 8.270 nan 0.000 0.469 555 I N -0.716 119.849 120.570 -0.008 0.000 3.856 555 I HA 0.279 4.449 4.170 -0.001 0.000 0.330 555 I C 0.503 176.571 176.117 -0.083 0.000 1.546 555 I CA 0.138 61.410 61.300 -0.047 0.000 1.132 555 I CB 0.677 38.622 38.000 -0.091 0.000 1.157 555 I HN 0.229 nan 8.210 nan 0.000 0.440 556 G N 0.680 109.428 108.800 -0.087 0.000 2.136 556 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.242 556 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.242 556 G C 0.295 175.133 174.900 -0.103 0.000 0.989 556 G CA 0.193 45.216 45.100 -0.130 0.000 0.682 556 G HN 0.285 nan 8.290 nan 0.000 0.522 557 V N 0.507 120.396 119.914 -0.042 0.000 2.585 557 V HA 0.315 4.435 4.120 -0.001 0.000 0.296 557 V C 1.310 177.283 176.094 -0.202 0.000 1.035 557 V CA 1.587 63.850 62.300 -0.062 0.000 1.084 557 V CB 1.649 33.467 31.823 -0.008 0.000 0.953 557 V HN 0.554 nan 8.190 nan 0.000 0.483 558 Q N 3.120 122.693 119.800 -0.378 0.000 2.245 558 Q HA 0.294 4.634 4.340 -0.001 0.000 0.250 558 Q C -0.747 174.656 176.000 -0.995 0.000 0.830 558 Q CA 0.105 55.456 55.803 -0.755 0.000 0.950 558 Q CB 0.740 28.822 28.738 -1.094 0.000 1.124 558 Q HN 0.689 nan 8.270 nan 0.000 0.502 559 F N 0.745 120.642 119.950 -0.088 0.000 2.547 559 F HA 0.565 5.091 4.527 -0.001 0.000 0.316 559 F C -0.488 175.243 175.800 -0.116 0.000 1.121 559 F CA -0.822 57.108 58.000 -0.117 0.000 0.911 559 F CB 1.505 40.413 39.000 -0.155 0.000 1.179 559 F HN -0.165 nan 8.300 nan 0.000 0.443 560 I N 3.198 123.797 120.570 0.048 0.000 2.582 560 I HA 0.598 4.768 4.170 -0.001 0.000 0.292 560 I C -1.411 174.715 176.117 0.014 0.000 1.066 560 I CA -1.181 60.140 61.300 0.035 0.000 1.053 560 I CB 2.515 40.573 38.000 0.095 0.000 1.241 560 I HN 0.392 nan 8.210 nan 0.000 0.421 561 V N 5.431 125.349 119.914 0.007 0.000 2.638 561 V HA 0.964 5.084 4.120 -0.001 0.000 0.306 561 V C -0.937 175.163 176.094 0.010 0.000 1.052 561 V CA 0.018 62.337 62.300 0.033 0.000 0.885 561 V CB 1.569 33.430 31.823 0.062 0.000 0.999 561 V HN 0.943 nan 8.190 nan 0.000 0.424 562 A N 6.878 129.715 122.820 0.029 0.000 2.608 562 A HA 0.923 5.242 4.320 -0.001 0.000 0.292 562 A C -3.326 174.240 177.584 -0.030 0.000 1.066 562 A CA -1.288 50.688 52.037 -0.103 0.000 0.676 562 A CB 2.067 20.845 19.000 -0.369 0.000 1.277 562 A HN 0.615 nan 8.150 nan 0.000 0.413 563 P HA 0.300 nan 4.420 nan 0.000 0.272 563 P C 0.142 177.303 177.300 -0.231 0.000 1.223 563 P CA 0.067 63.094 63.100 -0.122 0.000 0.784 563 P CB 0.907 32.534 31.700 -0.121 0.000 0.923 564 S N 0.421 115.895 115.700 -0.376 0.000 2.713 564 S HA 0.693 5.163 4.470 -0.001 0.000 0.277 564 S C 0.924 175.271 174.600 -0.422 0.000 1.168 564 S CA 0.127 57.912 58.200 -0.693 0.000 0.994 564 S CB 0.758 63.594 63.200 -0.608 0.000 1.054 564 S HN 0.795 nan 8.310 nan 0.000 0.555 565 G N -0.786 107.659 108.800 -0.591 0.000 2.559 565 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.202 565 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.202 565 G C -0.014 174.054 174.900 -1.387 0.000 0.992 565 G CA 0.064 44.694 45.100 -0.783 0.000 0.764 565 G HN 1.002 nan 8.290 nan 0.000 0.525 566 S N 0.151 115.109 115.700 -1.235 0.000 2.585 566 S HA 0.683 5.152 4.470 -0.001 0.000 0.277 566 S C 1.651 175.996 174.600 -0.425 0.000 1.241 566 S CA 0.804 58.448 58.200 -0.927 0.000 1.041 566 S CB 1.378 64.302 63.200 -0.458 0.000 0.987 566 S HN 1.369 nan 8.310 nan 0.000 0.512 567 A N 3.116 125.767 122.820 -0.281 0.000 2.168 567 A HA 0.326 4.646 4.320 -0.001 0.000 0.215 567 A C 1.438 178.973 177.584 -0.082 0.000 1.152 567 A CA 1.161 53.111 52.037 -0.144 0.000 0.716 567 A CB -0.482 18.471 19.000 -0.079 0.000 0.794 567 A HN 1.117 nan 8.150 nan 0.000 0.465 568 A N -0.775 121.994 122.820 -0.086 0.000 2.701 568 A HA 0.371 4.690 4.320 -0.001 0.000 0.297 568 A C 0.718 178.310 177.584 0.012 0.000 1.197 568 A CA 0.109 52.145 52.037 -0.002 0.000 0.963 568 A CB -0.092 18.948 19.000 0.068 0.000 1.175 568 A HN 0.217 nan 8.150 nan 0.000 0.531 569 D N 0.808 121.194 120.400 -0.023 0.000 2.104 569 D HA -0.165 4.474 4.640 -0.001 0.000 0.194 569 D C 1.550 177.912 176.300 0.104 0.000 0.994 569 D CA 1.294 55.331 54.000 0.063 0.000 0.830 569 D CB 0.158 40.972 40.800 0.023 0.000 0.959 569 D HN 0.424 nan 8.370 nan 0.000 0.452 570 E N 0.346 120.579 120.200 0.055 0.000 2.160 570 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 570 E C 2.397 179.024 176.600 0.046 0.000 0.991 570 E CA 0.301 56.728 56.400 0.045 0.000 0.810 570 E CB -0.258 29.458 29.700 0.026 0.000 0.742 570 E HN 0.209 nan 8.360 nan 0.000 0.466 571 V N 0.745 120.694 119.914 0.058 0.000 2.427 571 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 571 V C 2.514 178.649 176.094 0.069 0.000 1.051 571 V CA 1.114 63.453 62.300 0.066 0.000 1.048 571 V CB -0.418 31.462 31.823 0.095 0.000 0.666 571 V HN 0.061 nan 8.190 nan 0.000 0.456 572 V N -0.144 119.826 119.914 0.092 0.000 2.379 572 V HA -0.201 3.919 4.120 -0.001 0.000 0.245 572 V C 2.189 178.315 176.094 0.053 0.000 1.044 572 V CA 1.881 64.240 62.300 0.100 0.000 1.036 572 V CB -0.411 31.525 31.823 0.188 0.000 0.664 572 V HN 0.424 nan 8.190 nan 0.000 0.453 573 I N -0.343 120.250 120.570 0.037 0.000 2.163 573 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 573 I C 2.691 178.798 176.117 -0.017 0.000 1.085 573 I CA 1.394 62.681 61.300 -0.023 0.000 1.347 573 I CB -0.419 37.564 38.000 -0.027 0.000 1.044 573 I HN 0.275 nan 8.210 nan 0.000 0.408 574 E N 0.891 121.092 120.200 0.001 0.000 2.110 574 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 574 E C 2.295 178.891 176.600 -0.008 0.000 0.988 574 E CA 1.398 57.796 56.400 -0.003 0.000 0.804 574 E CB -0.269 29.435 29.700 0.006 0.000 0.745 574 E HN 0.497 nan 8.360 nan 0.000 0.458 575 A N 0.458 123.277 122.820 -0.001 0.000 1.908 575 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 575 A C 2.639 180.206 177.584 -0.029 0.000 1.181 575 A CA 1.550 53.581 52.037 -0.010 0.000 0.627 575 A CB -0.873 18.125 19.000 -0.003 0.000 0.818 575 A HN 0.362 nan 8.150 nan 0.000 0.445 576 C N -0.411 118.869 119.300 -0.033 0.000 2.446 576 C HA -0.064 4.396 4.460 -0.001 0.000 0.277 576 C C 2.681 177.639 174.990 -0.054 0.000 1.275 576 C CA 0.955 59.942 59.018 -0.051 0.000 1.727 576 C CB -1.414 26.293 27.740 -0.055 0.000 2.010 576 C HN 0.637 nan 8.230 nan 0.000 0.486 577 N N 0.878 119.552 118.700 -0.043 0.000 2.104 577 N HA -0.175 4.565 4.740 -0.001 0.000 0.190 577 N C 1.775 177.262 175.510 -0.039 0.000 1.024 577 N CA 1.588 54.615 53.050 -0.039 0.000 0.853 577 N CB -0.690 37.779 38.487 -0.029 0.000 1.008 577 N HN 0.734 nan 8.380 nan 0.000 0.424 578 E N 0.957 121.137 120.200 -0.033 0.000 2.110 578 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 578 E C 1.395 177.971 176.600 -0.040 0.000 0.988 578 E CA 0.789 57.170 56.400 -0.031 0.000 0.804 578 E CB -0.066 29.620 29.700 -0.024 0.000 0.745 578 E HN 0.323 nan 8.360 nan 0.000 0.458 579 L N -0.083 121.110 121.223 -0.050 0.000 2.592 579 L HA 0.260 4.599 4.340 -0.001 0.000 0.227 579 L C 1.244 178.064 176.870 -0.083 0.000 1.127 579 L CA 0.280 55.082 54.840 -0.063 0.000 0.884 579 L CB 0.187 42.206 42.059 -0.066 0.000 1.065 579 L HN 0.429 nan 8.230 nan 0.000 0.457 580 G N 1.320 110.072 108.800 -0.080 0.000 2.176 580 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.252 580 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.252 580 G C 0.096 174.910 174.900 -0.144 0.000 1.024 580 G CA -0.023 45.019 45.100 -0.097 0.000 0.755 580 G HN 0.329 nan 8.290 nan 0.000 0.507 581 I N 0.900 121.387 120.570 -0.137 0.000 2.385 581 I HA 0.328 4.497 4.170 -0.001 0.000 0.294 581 I C 0.597 176.637 176.117 -0.128 0.000 0.988 581 I CA -0.522 60.672 61.300 -0.177 0.000 1.265 581 I CB 1.641 39.556 38.000 -0.142 0.000 1.388 581 I HN 0.010 nan 8.210 nan 0.000 0.480 582 T N 7.165 121.639 114.554 -0.132 0.000 2.743 582 T HA 0.404 4.753 4.350 -0.001 0.000 0.293 582 T C -0.467 174.223 174.700 -0.017 0.000 0.945 582 T CA -0.249 61.836 62.100 -0.025 0.000 1.030 582 T CB 0.696 69.630 68.868 0.110 0.000 0.912 582 T HN 0.198 nan 8.240 nan 0.000 0.483 583 L N 5.240 126.436 121.223 -0.045 0.000 2.322 583 L HA 0.707 5.047 4.340 -0.001 0.000 0.281 583 L C -1.269 175.552 176.870 -0.081 0.000 1.014 583 L CA -0.602 54.197 54.840 -0.069 0.000 0.815 583 L CB 1.068 43.048 42.059 -0.132 0.000 1.247 583 L HN 0.549 nan 8.230 nan 0.000 0.421 584 I N 4.587 125.137 120.570 -0.033 0.000 2.389 584 I HA 0.371 4.541 4.170 -0.001 0.000 0.288 584 I C -0.405 175.778 176.117 0.109 0.000 0.999 584 I CA -0.154 61.166 61.300 0.034 0.000 1.129 584 I CB 1.275 39.331 38.000 0.093 0.000 1.288 584 I HN 0.578 nan 8.210 nan 0.000 0.444 585 H N 3.717 122.811 119.070 0.040 0.000 2.458 585 H HA 0.576 5.132 4.556 -0.000 0.000 0.330 585 H C 0.007 175.343 175.328 0.014 0.000 1.111 585 H CA -0.588 55.470 56.048 0.016 0.000 1.245 585 H CB 1.505 31.268 29.762 0.002 0.000 1.456 585 H HN 0.660 nan 8.280 nan 0.000 0.488 586 T N -0.304 114.310 114.554 0.100 0.000 2.883 586 T HA 0.165 4.515 4.350 -0.001 0.000 0.284 586 T C 0.322 174.999 174.700 -0.037 0.000 1.041 586 T CA -1.012 61.104 62.100 0.027 0.000 1.007 586 T CB 1.592 70.469 68.868 0.015 0.000 1.220 586 T HN 0.519 nan 8.240 nan 0.000 0.552 587 N N -0.460 118.212 118.700 -0.048 0.000 2.416 587 N HA 0.288 5.028 4.740 -0.001 0.000 0.267 587 N C -1.147 174.317 175.510 -0.077 0.000 1.294 587 N CA -0.420 52.590 53.050 -0.067 0.000 0.891 587 N CB -0.113 38.341 38.487 -0.055 0.000 1.238 587 N HN 0.558 nan 8.380 nan 0.000 0.508 588 L N 0.808 121.981 121.223 -0.084 0.000 2.353 588 L HA 0.518 4.858 4.340 -0.001 0.000 0.270 588 L C -0.332 176.456 176.870 -0.136 0.000 1.003 588 L CA -0.577 54.203 54.840 -0.100 0.000 0.862 588 L CB 0.687 42.693 42.059 -0.088 0.000 1.221 588 L HN 0.010 nan 8.230 nan 0.000 0.430 589 R N 3.889 124.283 120.500 -0.177 0.000 2.490 589 R HA 0.480 4.820 4.340 -0.001 0.000 0.278 589 R C -0.457 175.701 176.300 -0.237 0.000 1.069 589 R CA -0.340 55.590 56.100 -0.283 0.000 1.080 589 R CB 0.685 30.732 30.300 -0.421 0.000 1.030 589 R HN 0.817 nan 8.270 nan 0.000 0.491 590 L N 5.023 126.107 121.223 -0.232 0.000 3.209 590 L HA 0.302 4.642 4.340 -0.001 0.000 0.279 590 L C -0.651 176.237 176.870 0.030 0.000 1.301 590 L CA -0.596 54.173 54.840 -0.118 0.000 1.004 590 L CB 0.082 42.071 42.059 -0.117 0.000 1.402 590 L HN 0.485 nan 8.230 nan 0.000 0.577 591 F N 0.357 120.260 119.950 -0.077 0.000 2.563 591 F HA 0.156 4.682 4.527 -0.001 0.000 0.363 591 F C 0.698 176.472 175.800 -0.044 0.000 1.123 591 F CA -0.108 57.844 58.000 -0.079 0.000 1.307 591 F CB 0.048 39.030 39.000 -0.030 0.000 1.115 591 F HN 0.140 nan 8.300 nan 0.000 0.592 592 H N 2.850 121.847 119.070 -0.122 0.000 3.017 592 H HA 0.436 4.992 4.556 -0.001 0.000 0.340 592 H C -1.177 173.932 175.328 -0.366 0.000 1.014 592 H CA -0.377 55.580 56.048 -0.151 0.000 1.341 592 H CB 0.634 30.332 29.762 -0.105 0.000 1.739 592 H HN 0.567 nan 8.280 nan 0.000 0.506 593 H N 0.000 118.899 119.070 -0.285 0.000 2.539 593 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 593 H CA 0.000 55.897 56.048 -0.252 0.000 1.023 593 H CB 0.000 29.689 29.762 -0.122 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496