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 3p9q_1_B DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 28 S CB 0.000 63.172 63.200 -0.046 0.000 0.593 29 L N 2.915 124.094 121.223 -0.074 0.000 2.477 29 L HA 0.423 4.793 4.340 0.050 0.000 0.220 29 L C 1.540 178.332 176.870 -0.130 0.000 1.106 29 L CA 0.500 55.292 54.840 -0.080 0.000 0.851 29 L CB -0.498 41.524 42.059 -0.062 0.000 0.994 29 L HN 0.760 nan 8.230 nan 0.000 0.462 30 A N 1.562 124.253 122.820 -0.214 0.000 2.425 30 A HA 0.349 4.699 4.320 0.050 0.000 0.242 30 A C -2.026 175.410 177.584 -0.247 0.000 1.077 30 A CA -0.854 50.936 52.037 -0.412 0.000 0.781 30 A CB -0.580 17.908 19.000 -0.854 0.000 1.020 30 A HN -0.013 nan 8.150 nan 0.000 0.494 31 P HA 0.120 nan 4.420 nan 0.000 0.271 31 P C 0.306 177.591 177.300 -0.025 0.000 1.216 31 P CA -0.107 62.960 63.100 -0.054 0.000 0.776 31 P CB 0.960 32.669 31.700 0.016 0.000 0.881 32 E N 2.380 122.573 120.200 -0.012 0.000 2.136 32 E HA -0.263 4.117 4.350 0.050 0.000 0.202 32 E C 1.102 177.722 176.600 0.033 0.000 1.019 32 E CA 2.279 58.682 56.400 0.006 0.000 0.819 32 E CB -0.523 29.179 29.700 0.003 0.000 0.739 32 E HN 0.589 nan 8.360 nan 0.000 0.458 33 D N -1.897 118.529 120.400 0.043 0.000 2.349 33 D HA 0.067 4.737 4.640 0.050 0.000 0.224 33 D C 1.260 177.608 176.300 0.080 0.000 1.029 33 D CA 0.874 54.904 54.000 0.051 0.000 0.879 33 D CB -0.271 40.551 40.800 0.038 0.000 0.906 33 D HN 0.296 nan 8.370 nan 0.000 0.528 34 G N 0.375 109.265 108.800 0.150 0.000 2.162 34 G HA2 -0.363 3.627 3.960 0.050 0.000 0.260 34 G HA3 -0.363 3.627 3.960 0.050 0.000 0.260 34 G C 1.052 176.036 174.900 0.140 0.000 0.976 34 G CA 0.821 46.049 45.100 0.214 0.000 0.655 34 G HN 0.715 nan 8.290 nan 0.000 0.533 35 S N 0.694 116.490 115.700 0.160 0.000 2.603 35 S HA -0.013 4.487 4.470 0.050 0.000 0.229 35 S C 1.895 176.547 174.600 0.086 0.000 0.972 35 S CA 1.133 59.380 58.200 0.078 0.000 0.935 35 S CB -0.556 62.683 63.200 0.064 0.000 0.769 35 S HN 0.931 nan 8.310 nan 0.000 0.536 36 H N 0.838 119.915 119.070 0.012 0.000 2.502 36 H HA 0.273 4.859 4.556 0.050 0.000 0.283 36 H C 0.788 176.128 175.328 0.020 0.000 1.015 36 H CA 0.306 56.362 56.048 0.013 0.000 1.298 36 H CB -0.307 29.462 29.762 0.012 0.000 1.411 36 H HN 0.348 nan 8.280 nan 0.000 0.556 37 R N 2.565 122.748 120.500 -0.529 0.000 2.295 37 R HA 0.346 4.716 4.340 0.050 0.000 0.324 37 R C -2.574 173.631 176.300 -0.157 0.000 0.968 37 R CA -2.072 53.799 56.100 -0.383 0.000 0.837 37 R CB 1.047 31.050 30.300 -0.494 0.000 1.133 37 R HN 0.104 nan 8.270 nan 0.000 0.450 38 P HA 0.144 nan 4.420 nan 0.000 0.271 38 P C -0.972 176.318 177.300 -0.016 0.000 1.218 38 P CA -0.423 62.665 63.100 -0.020 0.000 0.780 38 P CB 0.998 32.712 31.700 0.023 0.000 0.901 39 A N 2.144 124.961 122.820 -0.004 0.000 2.462 39 A HA 0.414 4.764 4.320 0.050 0.000 0.243 39 A C 0.867 178.462 177.584 0.018 0.000 1.076 39 A CA 0.039 52.077 52.037 0.002 0.000 0.773 39 A CB -0.365 18.639 19.000 0.006 0.000 1.010 39 A HN 0.559 nan 8.150 nan 0.000 0.493 40 A N 2.808 125.638 122.820 0.017 0.000 3.202 40 A HA 0.503 4.853 4.320 0.050 0.000 0.258 40 A C 0.282 177.885 177.584 0.031 0.000 1.572 40 A CA 0.020 52.073 52.037 0.027 0.000 1.241 40 A CB -0.820 18.193 19.000 0.022 0.000 1.127 40 A HN 0.871 nan 8.150 nan 0.000 0.648 41 E N -0.186 120.034 120.200 0.034 0.000 2.413 41 E HA 0.536 4.917 4.350 0.050 0.000 0.277 41 E C -3.252 173.372 176.600 0.039 0.000 0.958 41 E CA -2.516 53.905 56.400 0.035 0.000 0.779 41 E CB 1.452 31.168 29.700 0.025 0.000 1.278 41 E HN 0.095 nan 8.360 nan 0.000 0.456 42 P HA 0.065 nan 4.420 nan 0.000 0.271 42 P C -0.580 176.728 177.300 0.014 0.000 1.220 42 P CA 0.121 63.239 63.100 0.029 0.000 0.768 42 P CB 0.785 32.491 31.700 0.011 0.000 0.848 43 T N 0.407 114.965 114.554 0.007 0.000 2.909 43 T HA 0.603 4.983 4.350 0.050 0.000 0.299 43 T C -2.950 171.720 174.700 -0.051 0.000 1.073 43 T CA -2.502 59.595 62.100 -0.005 0.000 0.999 43 T CB 1.654 70.526 68.868 0.006 0.000 1.098 43 T HN 0.129 nan 8.240 nan 0.000 0.477 44 P HA 0.384 nan 4.420 nan 0.000 0.274 44 P C -2.777 174.387 177.300 -0.226 0.000 1.246 44 P CA -1.697 61.246 63.100 -0.261 0.000 0.795 44 P CB -0.966 30.637 31.700 -0.162 0.000 1.006 45 P HA 0.067 nan 4.420 nan 0.000 0.264 45 P C 1.051 178.311 177.300 -0.066 0.000 1.193 45 P CA 1.380 64.390 63.100 -0.150 0.000 0.763 45 P CB -0.244 31.369 31.700 -0.146 0.000 0.810 46 G N 2.752 111.540 108.800 -0.019 0.000 2.205 46 G HA2 -0.348 3.642 3.960 0.050 0.000 0.261 46 G HA3 -0.348 3.642 3.960 0.050 0.000 0.261 46 G C 1.115 176.016 174.900 0.001 0.000 0.980 46 G CA 0.417 45.517 45.100 0.000 0.000 0.632 46 G HN 0.675 nan 8.290 nan 0.000 0.533 47 A N -1.211 121.604 122.820 -0.007 0.000 2.016 47 A HA 0.455 4.806 4.320 0.050 0.000 0.217 47 A C 1.310 178.899 177.584 0.007 0.000 1.162 47 A CA 1.877 53.914 52.037 -0.000 0.000 0.662 47 A CB 0.047 19.043 19.000 -0.005 0.000 0.812 47 A HN 0.486 nan 8.150 nan 0.000 0.450 48 Q N -0.932 118.876 119.800 0.013 0.000 2.456 48 Q HA 0.429 4.799 4.340 0.050 0.000 0.284 48 Q C -2.976 173.040 176.000 0.027 0.000 1.061 48 Q CA -2.039 53.775 55.803 0.019 0.000 0.799 48 Q CB 1.116 29.869 28.738 0.024 0.000 1.445 48 Q HN 0.064 nan 8.270 nan 0.000 0.411 49 P HA 0.038 nan 4.420 nan 0.000 0.269 49 P C -0.220 177.112 177.300 0.054 0.000 1.209 49 P CA 0.033 63.148 63.100 0.026 0.000 0.776 49 P CB 0.237 31.949 31.700 0.020 0.000 0.876 50 T N -0.735 113.850 114.554 0.052 0.000 2.860 50 T HA 0.604 4.985 4.350 0.050 0.000 0.299 50 T C -0.039 174.746 174.700 0.142 0.000 1.045 50 T CA -0.530 61.651 62.100 0.134 0.000 1.071 50 T CB 0.648 69.542 68.868 0.043 0.000 0.985 50 T HN 0.563 nan 8.240 nan 0.000 0.537 51 A N 1.880 124.890 122.820 0.315 0.000 2.587 51 A HA 0.781 5.131 4.320 0.050 0.000 0.293 51 A C -3.020 174.826 177.584 0.437 0.000 1.087 51 A CA -2.110 50.088 52.037 0.267 0.000 0.692 51 A CB 0.787 19.894 19.000 0.177 0.000 1.291 51 A HN 0.669 nan 8.150 nan 0.000 0.407 52 P HA 0.139 nan 4.420 nan 0.000 0.265 52 P C 1.153 178.604 177.300 0.250 0.000 1.187 52 P CA 0.771 64.087 63.100 0.360 0.000 0.766 52 P CB 0.626 32.459 31.700 0.222 0.000 0.820 53 G N 1.911 110.825 108.800 0.190 0.000 2.432 53 G HA2 -0.244 3.746 3.960 0.050 0.000 0.219 53 G HA3 -0.244 3.746 3.960 0.050 0.000 0.219 53 G C 1.469 176.389 174.900 0.034 0.000 1.135 53 G CA 0.923 46.049 45.100 0.043 0.000 0.767 53 G HN 0.584 nan 8.290 nan 0.000 0.550 54 S N 0.009 115.734 115.700 0.040 0.000 2.481 54 S HA 0.146 4.646 4.470 0.050 0.000 0.231 54 S C 2.158 176.779 174.600 0.034 0.000 0.996 54 S CA 0.552 58.759 58.200 0.013 0.000 0.942 54 S CB -0.153 63.048 63.200 0.001 0.000 0.768 54 S HN 0.304 nan 8.310 nan 0.000 0.520 55 L N -0.120 121.141 121.223 0.063 0.000 2.298 55 L HA 0.267 4.637 4.340 0.050 0.000 0.209 55 L C 2.641 179.546 176.870 0.058 0.000 1.084 55 L CA 0.748 55.623 54.840 0.059 0.000 0.816 55 L CB -0.292 41.810 42.059 0.072 0.000 0.967 55 L HN 0.239 nan 8.230 nan 0.000 0.460 56 K N 1.402 121.847 120.400 0.075 0.000 2.116 56 K HA 0.049 4.399 4.320 0.050 0.000 0.203 56 K C 0.695 177.326 176.600 0.052 0.000 1.052 56 K CA 1.212 57.544 56.287 0.074 0.000 0.952 56 K CB 0.158 32.720 32.500 0.103 0.000 0.729 56 K HN 0.138 nan 8.250 nan 0.000 0.446 57 A N 0.725 123.567 122.820 0.038 0.000 3.317 57 A HA 0.358 4.708 4.320 0.050 0.000 0.307 57 A C -2.255 175.334 177.584 0.009 0.000 1.003 57 A CA -0.990 51.065 52.037 0.030 0.000 0.882 57 A CB 0.646 19.665 19.000 0.033 0.000 1.136 57 A HN 0.118 nan 8.150 nan 0.000 0.488 58 P HA -0.082 nan 4.420 nan 0.000 0.222 58 P C 0.089 177.383 177.300 -0.011 0.000 1.147 58 P CA 1.219 64.319 63.100 -0.000 0.000 0.790 58 P CB 0.350 32.054 31.700 0.007 0.000 0.780 59 D N -1.276 119.122 120.400 -0.004 0.000 2.363 59 D HA 0.039 4.710 4.640 0.050 0.000 0.214 59 D C 0.122 176.410 176.300 -0.019 0.000 1.093 59 D CA 0.397 54.391 54.000 -0.010 0.000 0.837 59 D CB -0.258 40.543 40.800 0.001 0.000 0.948 59 D HN 0.062 nan 8.370 nan 0.000 0.507 60 T N 2.679 117.218 114.554 -0.024 0.000 2.738 60 T HA 0.260 4.640 4.350 0.050 0.000 0.293 60 T C 0.458 175.115 174.700 -0.073 0.000 0.913 60 T CA -0.277 61.794 62.100 -0.047 0.000 1.103 60 T CB 0.892 69.727 68.868 -0.054 0.000 0.880 60 T HN -0.151 nan 8.240 nan 0.000 0.526 61 R N 3.215 123.667 120.500 -0.080 0.000 2.807 61 R HA 0.643 5.013 4.340 0.050 0.000 0.276 61 R C -0.432 175.811 176.300 -0.095 0.000 0.979 61 R CA -1.012 55.035 56.100 -0.089 0.000 0.928 61 R CB 1.816 32.072 30.300 -0.074 0.000 1.191 61 R HN 0.820 nan 8.270 nan 0.000 0.471 62 N N -2.073 116.572 118.700 -0.091 0.000 2.825 62 N HA 0.046 4.816 4.740 0.050 0.000 0.253 62 N C 0.253 175.718 175.510 -0.076 0.000 1.426 62 N CA -0.806 52.203 53.050 -0.068 0.000 0.851 62 N CB 0.867 39.345 38.487 -0.014 0.000 1.470 62 N HN 0.562 nan 8.380 nan 0.000 0.517 63 E N -0.157 120.013 120.200 -0.051 0.000 2.085 63 E HA -0.286 4.095 4.350 0.050 0.000 0.194 63 E C 1.074 177.601 176.600 -0.121 0.000 0.994 63 E CA 1.545 57.910 56.400 -0.059 0.000 0.801 63 E CB 0.081 29.773 29.700 -0.013 0.000 0.743 63 E HN 0.512 nan 8.360 nan 0.000 0.453 64 K N 0.633 120.924 120.400 -0.182 0.000 2.025 64 K HA -0.081 4.269 4.320 0.050 0.000 0.207 64 K C 2.109 178.535 176.600 -0.289 0.000 1.049 64 K CA 1.156 57.236 56.287 -0.346 0.000 0.933 64 K CB -0.385 31.724 32.500 -0.653 0.000 0.714 64 K HN 0.173 nan 8.250 nan 0.000 0.438 65 L N 0.885 121.952 121.223 -0.259 0.000 2.042 65 L HA -0.210 4.160 4.340 0.050 0.000 0.210 65 L C 1.893 178.644 176.870 -0.198 0.000 1.076 65 L CA 1.297 55.961 54.840 -0.294 0.000 0.749 65 L CB -0.603 41.279 42.059 -0.296 0.000 0.893 65 L HN 0.261 nan 8.230 nan 0.000 0.432 66 N N -0.363 118.247 118.700 -0.149 0.000 2.188 66 N HA -0.149 4.621 4.740 0.050 0.000 0.184 66 N C 2.071 177.518 175.510 -0.104 0.000 1.018 66 N CA 1.609 54.594 53.050 -0.108 0.000 0.858 66 N CB -0.393 38.044 38.487 -0.083 0.000 0.989 66 N HN 0.357 nan 8.380 nan 0.000 0.426 67 S N 0.292 115.919 115.700 -0.121 0.000 2.474 67 S HA 0.018 4.518 4.470 0.050 0.000 0.235 67 S C 1.748 176.281 174.600 -0.112 0.000 0.997 67 S CA 0.434 58.570 58.200 -0.108 0.000 0.949 67 S CB -0.423 62.705 63.200 -0.121 0.000 0.766 67 S HN 0.251 nan 8.310 nan 0.000 0.517 68 L N 0.649 121.790 121.223 -0.136 0.000 2.554 68 L HA 0.213 4.584 4.340 0.050 0.000 0.226 68 L C 2.604 179.421 176.870 -0.088 0.000 1.137 68 L CA 0.497 55.263 54.840 -0.122 0.000 0.863 68 L CB -0.320 41.647 42.059 -0.153 0.000 0.985 68 L HN 0.276 nan 8.230 nan 0.000 0.451 69 E N 1.068 121.220 120.200 -0.079 0.000 2.153 69 E HA -0.253 4.127 4.350 0.050 0.000 0.194 69 E C 1.716 178.291 176.600 -0.042 0.000 0.988 69 E CA 1.468 57.835 56.400 -0.055 0.000 0.811 69 E CB -0.062 29.609 29.700 -0.048 0.000 0.746 69 E HN 0.552 nan 8.360 nan 0.000 0.466 70 D N -0.344 120.029 120.400 -0.045 0.000 2.221 70 D HA -0.159 4.511 4.640 0.050 0.000 0.204 70 D C 1.593 177.873 176.300 -0.034 0.000 0.982 70 D CA 1.709 55.687 54.000 -0.036 0.000 0.857 70 D CB -0.333 40.445 40.800 -0.037 0.000 0.934 70 D HN 0.308 nan 8.370 nan 0.000 0.475 71 V N -3.646 116.245 119.914 -0.038 0.000 3.528 71 V HA 0.331 4.481 4.120 0.050 0.000 0.294 71 V C 0.819 176.899 176.094 -0.024 0.000 1.404 71 V CA -0.702 61.579 62.300 -0.031 0.000 1.065 71 V CB -0.447 31.357 31.823 -0.033 0.000 0.904 71 V HN -0.151 nan 8.190 nan 0.000 0.435 72 R N 1.999 122.485 120.500 -0.024 0.000 2.491 72 R HA 0.460 4.830 4.340 0.050 0.000 0.283 72 R C -0.226 176.068 176.300 -0.009 0.000 1.072 72 R CA 0.012 56.105 56.100 -0.011 0.000 1.048 72 R CB 0.879 31.173 30.300 -0.009 0.000 0.983 72 R HN 0.368 nan 8.270 nan 0.000 0.450 73 K N 0.965 121.362 120.400 -0.004 0.000 2.270 73 K HA 0.372 4.722 4.320 0.050 0.000 0.255 73 K C -0.087 176.519 176.600 0.010 0.000 0.936 73 K CA -0.481 55.791 56.287 -0.024 0.000 0.809 73 K CB 1.871 34.341 32.500 -0.051 0.000 1.131 73 K HN 0.715 nan 8.250 nan 0.000 0.427 74 G N 0.216 109.037 108.800 0.035 0.000 2.630 74 G HA2 0.279 4.269 3.960 0.050 0.000 0.223 74 G HA3 0.279 4.269 3.960 0.050 0.000 0.223 74 G C 0.287 175.273 174.900 0.143 0.000 1.434 74 G CA 0.286 45.458 45.100 0.119 0.000 1.057 74 G HN 0.710 nan 8.290 nan 0.000 0.570 75 S N -2.534 113.335 115.700 0.281 0.000 2.501 75 S HA 0.115 4.615 4.470 0.050 0.000 0.250 75 S C 0.173 174.950 174.600 0.296 0.000 0.959 75 S CA -0.103 58.265 58.200 0.280 0.000 1.250 75 S CB -0.005 63.277 63.200 0.137 0.000 0.933 75 S HN 0.486 nan 8.310 nan 0.000 0.420 76 E N 3.106 123.403 120.200 0.161 0.000 2.415 76 E HA 0.331 4.711 4.350 0.050 0.000 0.263 76 E C -0.227 176.305 176.600 -0.112 0.000 0.995 76 E CA 0.142 56.564 56.400 0.035 0.000 0.915 76 E CB 0.057 29.768 29.700 0.018 0.000 0.951 76 E HN 0.385 nan 8.360 nan 0.000 0.449 77 N N 0.652 119.293 118.700 -0.098 0.000 2.878 77 N HA -0.209 4.561 4.740 0.050 0.000 0.247 77 N C -1.118 174.258 175.510 -0.224 0.000 1.021 77 N CA 1.124 54.071 53.050 -0.173 0.000 0.873 77 N CB -1.301 37.044 38.487 -0.235 0.000 1.128 77 N HN 0.388 nan 8.380 nan 0.000 0.571 78 Y N 0.583 120.888 120.300 0.009 0.000 2.419 78 Y HA 0.643 5.224 4.550 0.051 0.000 0.328 78 Y C 0.879 176.782 175.900 0.005 0.000 1.162 78 Y CA -0.571 57.533 58.100 0.007 0.000 1.174 78 Y CB 1.081 39.546 38.460 0.008 0.000 1.228 78 Y HN 0.114 nan 8.280 nan 0.000 0.473 79 A N 2.417 125.350 122.820 0.189 0.000 2.340 79 A HA 0.452 4.802 4.320 0.050 0.000 0.268 79 A C -0.823 176.808 177.584 0.078 0.000 1.100 79 A CA -0.567 51.529 52.037 0.099 0.000 0.803 79 A CB 0.171 19.217 19.000 0.077 0.000 1.043 79 A HN 0.715 nan 8.150 nan 0.000 0.488 80 L N 2.900 124.151 121.223 0.047 0.000 2.462 80 L HA 0.477 4.847 4.340 0.050 0.000 0.272 80 L C 0.658 177.537 176.870 0.015 0.000 1.166 80 L CA 1.210 56.063 54.840 0.023 0.000 0.880 80 L CB 0.278 42.343 42.059 0.009 0.000 1.142 80 L HN 0.902 nan 8.230 nan 0.000 0.473 81 T N 0.375 114.932 114.554 0.006 0.000 2.887 81 T HA 0.644 5.024 4.350 0.050 0.000 0.292 81 T C 0.220 174.924 174.700 0.006 0.000 1.087 81 T CA -0.207 61.899 62.100 0.011 0.000 1.009 81 T CB 0.995 69.871 68.868 0.014 0.000 1.203 81 T HN 0.808 nan 8.240 nan 0.000 0.518 82 T N 0.383 114.957 114.554 0.032 0.000 2.680 82 T HA 0.160 4.540 4.350 0.050 0.000 0.314 82 T C 1.088 175.806 174.700 0.029 0.000 1.045 82 T CA -0.384 61.744 62.100 0.047 0.000 1.025 82 T CB -0.134 68.808 68.868 0.123 0.000 1.000 82 T HN 0.575 nan 8.240 nan 0.000 0.535 83 N N 0.551 119.270 118.700 0.033 0.000 2.453 83 N HA -0.070 4.700 4.740 0.050 0.000 0.183 83 N C 1.536 177.065 175.510 0.031 0.000 1.041 83 N CA 0.586 53.648 53.050 0.019 0.000 0.900 83 N CB -0.171 38.334 38.487 0.031 0.000 0.961 83 N HN 0.565 nan 8.380 nan 0.000 0.443 84 Q N -0.481 119.352 119.800 0.054 0.000 2.320 84 Q HA 0.190 4.560 4.340 0.050 0.000 0.201 84 Q C 0.771 176.794 176.000 0.038 0.000 0.910 84 Q CA 0.150 55.980 55.803 0.045 0.000 0.946 84 Q CB 0.390 29.161 28.738 0.054 0.000 1.062 84 Q HN 0.397 nan 8.270 nan 0.000 0.503 85 G N 0.408 109.229 108.800 0.035 0.000 2.132 85 G HA2 -0.232 3.758 3.960 0.050 0.000 0.234 85 G HA3 -0.232 3.758 3.960 0.050 0.000 0.234 85 G C 0.060 174.986 174.900 0.044 0.000 0.989 85 G CA 0.114 45.230 45.100 0.026 0.000 0.676 85 G HN 0.222 nan 8.290 nan 0.000 0.522 86 V N 1.459 121.416 119.914 0.071 0.000 2.432 86 V HA 0.409 4.559 4.120 0.050 0.000 0.275 86 V C 1.220 177.355 176.094 0.068 0.000 1.043 86 V CA -0.655 61.699 62.300 0.090 0.000 0.925 86 V CB 1.237 33.160 31.823 0.166 0.000 0.985 86 V HN 0.396 nan 8.190 nan 0.000 0.466 87 R N 4.275 124.808 120.500 0.054 0.000 2.491 87 R HA 0.391 4.761 4.340 0.050 0.000 0.283 87 R C -0.545 175.770 176.300 0.024 0.000 1.072 87 R CA -0.139 55.983 56.100 0.037 0.000 1.048 87 R CB 0.570 30.891 30.300 0.035 0.000 0.983 87 R HN 0.573 nan 8.270 nan 0.000 0.450 88 I N 2.149 122.721 120.570 0.004 0.000 2.365 88 I HA 0.095 4.295 4.170 0.050 0.000 0.291 88 I C 1.054 177.160 176.117 -0.018 0.000 1.004 88 I CA 0.096 61.382 61.300 -0.023 0.000 1.311 88 I CB 1.827 39.803 38.000 -0.040 0.000 1.401 88 I HN 0.780 nan 8.210 nan 0.000 0.491 89 A N 4.110 126.916 122.820 -0.024 0.000 1.911 89 A HA -0.003 4.347 4.320 0.050 0.000 0.212 89 A C 0.693 178.262 177.584 -0.026 0.000 1.189 89 A CA 0.956 52.982 52.037 -0.018 0.000 0.639 89 A CB 0.034 19.026 19.000 -0.014 0.000 0.839 89 A HN 0.689 nan 8.150 nan 0.000 0.449 90 D N -0.605 119.771 120.400 -0.040 0.000 2.421 90 D HA 0.317 4.987 4.640 0.050 0.000 0.254 90 D C -1.355 174.913 176.300 -0.054 0.000 1.238 90 D CA -0.380 53.595 54.000 -0.042 0.000 0.919 90 D CB 1.143 41.918 40.800 -0.041 0.000 1.152 90 D HN 0.042 nan 8.370 nan 0.000 0.552 91 D N 2.085 122.457 120.400 -0.048 0.000 2.460 91 D HA 0.060 4.730 4.640 0.050 0.000 0.229 91 D C 0.556 176.824 176.300 -0.053 0.000 1.170 91 D CA 0.242 54.210 54.000 -0.054 0.000 0.827 91 D CB 0.494 41.268 40.800 -0.045 0.000 0.973 91 D HN 0.228 nan 8.370 nan 0.000 0.496 92 Q N -0.656 119.114 119.800 -0.050 0.000 2.280 92 Q HA 0.276 4.646 4.340 0.050 0.000 0.228 92 Q C -0.169 175.800 176.000 -0.050 0.000 0.857 92 Q CA 0.166 55.941 55.803 -0.048 0.000 0.939 92 Q CB 0.837 29.551 28.738 -0.039 0.000 1.114 92 Q HN 0.189 nan 8.270 nan 0.000 0.514 93 N N 0.017 118.685 118.700 -0.054 0.000 2.277 93 N HA 0.305 5.075 4.740 0.050 0.000 0.286 93 N C -0.981 174.493 175.510 -0.060 0.000 1.140 93 N CA -0.247 52.773 53.050 -0.051 0.000 0.799 93 N CB 2.134 40.596 38.487 -0.042 0.000 1.596 93 N HN -0.180 nan 8.380 nan 0.000 0.473 94 S N 0.769 116.436 115.700 -0.054 0.000 2.603 94 S HA 0.249 4.749 4.470 0.050 0.000 0.268 94 S C 0.192 174.765 174.600 -0.047 0.000 1.317 94 S CA -0.536 57.632 58.200 -0.054 0.000 1.012 94 S CB 0.666 63.840 63.200 -0.043 0.000 0.926 94 S HN 0.392 nan 8.310 nan 0.000 0.539 95 L N 3.394 124.588 121.223 -0.047 0.000 2.319 95 L HA 0.445 4.815 4.340 0.050 0.000 0.280 95 L C 0.069 176.929 176.870 -0.017 0.000 1.099 95 L CA 0.324 55.145 54.840 -0.031 0.000 0.828 95 L CB 0.028 42.069 42.059 -0.029 0.000 1.150 95 L HN 0.741 nan 8.230 nan 0.000 0.442 96 R N 4.198 124.691 120.500 -0.012 0.000 2.808 96 R HA 0.856 5.226 4.340 0.050 0.000 0.272 96 R C -1.242 175.056 176.300 -0.003 0.000 0.995 96 R CA -0.843 55.253 56.100 -0.007 0.000 0.917 96 R CB 1.202 31.495 30.300 -0.011 0.000 1.217 96 R HN 0.606 nan 8.270 nan 0.000 0.471 97 A N 1.482 124.302 122.820 -0.000 0.000 2.527 97 A HA 0.595 4.946 4.320 0.050 0.000 0.313 97 A C 0.648 178.232 177.584 -0.001 0.000 1.410 97 A CA 0.306 52.344 52.037 0.002 0.000 1.060 97 A CB -0.792 18.210 19.000 0.004 0.000 1.137 97 A HN 1.271 nan 8.150 nan 0.000 0.542 98 G N 1.300 110.099 108.800 -0.002 0.000 2.712 98 G HA2 0.026 4.016 3.960 0.050 0.000 0.686 98 G HA3 0.026 4.016 3.960 0.050 0.000 0.686 98 G C 0.659 175.555 174.900 -0.006 0.000 1.321 98 G CA 0.133 45.231 45.100 -0.003 0.000 0.813 98 G HN 1.887 nan 8.290 nan 0.000 0.599 99 S N -0.414 115.281 115.700 -0.007 0.000 2.561 99 S HA 0.069 4.570 4.470 0.050 0.000 0.225 99 S C 1.465 176.059 174.600 -0.010 0.000 0.977 99 S CA 1.219 59.414 58.200 -0.010 0.000 0.926 99 S CB 0.119 63.313 63.200 -0.010 0.000 0.769 99 S HN 0.737 nan 8.310 nan 0.000 0.533 100 R N 0.784 121.279 120.500 -0.008 0.000 2.613 100 R HA 0.329 4.700 4.340 0.050 0.000 0.361 100 R C 0.847 177.143 176.300 -0.007 0.000 1.072 100 R CA 0.008 56.103 56.100 -0.008 0.000 1.089 100 R CB 0.839 31.135 30.300 -0.007 0.000 1.343 100 R HN 0.433 nan 8.270 nan 0.000 0.571 101 G N 1.744 110.540 108.800 -0.006 0.000 2.537 101 G HA2 0.372 4.362 3.960 0.050 0.000 0.297 101 G HA3 0.372 4.362 3.960 0.050 0.000 0.297 101 G C -2.359 172.538 174.900 -0.005 0.000 1.310 101 G CA -1.020 44.078 45.100 -0.004 0.000 1.027 101 G HN -0.096 nan 8.290 nan 0.000 0.505 102 P HA 0.230 nan 4.420 nan 0.000 0.277 102 P C -0.210 177.089 177.300 -0.002 0.000 1.240 102 P CA -0.112 62.987 63.100 -0.002 0.000 0.798 102 P CB 0.852 32.553 31.700 0.002 0.000 0.979 103 T N 2.513 117.066 114.554 -0.003 0.000 2.901 103 T HA 0.249 4.629 4.350 0.050 0.000 0.301 103 T C 0.496 175.198 174.700 0.005 0.000 1.012 103 T CA -0.137 61.961 62.100 -0.003 0.000 1.135 103 T CB -0.008 68.856 68.868 -0.007 0.000 0.936 103 T HN 0.182 nan 8.240 nan 0.000 0.539 104 L N 3.589 124.816 121.223 0.007 0.000 2.334 104 L HA 0.298 4.668 4.340 0.050 0.000 0.277 104 L C 1.405 178.292 176.870 0.028 0.000 1.075 104 L CA -0.728 54.123 54.840 0.018 0.000 0.804 104 L CB 0.890 42.962 42.059 0.021 0.000 1.174 104 L HN 0.530 nan 8.230 nan 0.000 0.438 105 L N 2.351 123.595 121.223 0.034 0.000 2.275 105 L HA -0.170 4.200 4.340 0.050 0.000 0.215 105 L C 2.258 179.169 176.870 0.068 0.000 1.119 105 L CA 1.538 56.406 54.840 0.045 0.000 0.790 105 L CB -0.534 41.549 42.059 0.040 0.000 0.919 105 L HN 0.776 nan 8.230 nan 0.000 0.443 106 E N -1.622 118.622 120.200 0.074 0.000 2.516 106 E HA -0.162 4.219 4.350 0.050 0.000 0.199 106 E C 0.163 176.868 176.600 0.175 0.000 1.069 106 E CA 0.157 56.630 56.400 0.122 0.000 0.876 106 E CB -0.497 29.267 29.700 0.107 0.000 0.843 106 E HN 0.349 nan 8.360 nan 0.000 0.530 107 D N 1.271 121.725 120.400 0.090 0.000 2.489 107 D HA -0.047 4.623 4.640 0.050 0.000 0.237 107 D C 0.446 176.764 176.300 0.030 0.000 1.212 107 D CA -0.437 53.571 54.000 0.013 0.000 1.058 107 D CB -0.220 40.556 40.800 -0.040 0.000 1.098 107 D HN 0.311 nan 8.370 nan 0.000 0.509 108 F N 1.679 121.638 119.950 0.014 0.000 2.407 108 F HA 0.081 4.638 4.527 0.050 0.000 0.299 108 F C 1.632 177.445 175.800 0.021 0.000 1.097 108 F CA 0.132 58.144 58.000 0.020 0.000 1.422 108 F CB -0.599 38.412 39.000 0.019 0.000 1.067 108 F HN 0.175 nan 8.300 nan 0.000 0.539 109 I N 0.350 120.519 120.570 -0.668 0.000 2.233 109 I HA -0.189 4.011 4.170 0.050 0.000 0.243 109 I C 2.478 178.489 176.117 -0.176 0.000 1.093 109 I CA 0.957 61.977 61.300 -0.467 0.000 1.380 109 I CB -0.491 37.167 38.000 -0.571 0.000 1.067 109 I HN 0.261 nan 8.210 nan 0.000 0.413 110 L N 1.136 122.268 121.223 -0.152 0.000 2.012 110 L HA -0.220 4.150 4.340 0.050 0.000 0.210 110 L C 2.630 179.493 176.870 -0.012 0.000 1.073 110 L CA 1.915 56.711 54.840 -0.073 0.000 0.748 110 L CB -0.557 41.464 42.059 -0.063 0.000 0.891 110 L HN 0.062 nan 8.230 nan 0.000 0.431 111 R N -0.698 119.814 120.500 0.020 0.000 2.092 111 R HA -0.165 4.205 4.340 0.050 0.000 0.231 111 R C 2.311 178.669 176.300 0.097 0.000 1.119 111 R CA 1.457 57.598 56.100 0.068 0.000 0.970 111 R CB -0.357 29.999 30.300 0.093 0.000 0.864 111 R HN 0.583 nan 8.270 nan 0.000 0.440 112 E N 1.183 121.445 120.200 0.104 0.000 2.077 112 E HA -0.241 4.139 4.350 0.050 0.000 0.193 112 E C 1.923 178.603 176.600 0.134 0.000 0.989 112 E CA 1.264 57.743 56.400 0.133 0.000 0.800 112 E CB 0.110 29.894 29.700 0.140 0.000 0.746 112 E HN 0.143 nan 8.360 nan 0.000 0.452 113 K N 0.177 120.626 120.400 0.081 0.000 2.057 113 K HA -0.124 4.226 4.320 0.050 0.000 0.206 113 K C 2.059 178.738 176.600 0.131 0.000 1.050 113 K CA 1.180 57.515 56.287 0.080 0.000 0.935 113 K CB 0.033 32.536 32.500 0.005 0.000 0.715 113 K HN 0.154 nan 8.250 nan 0.000 0.439 114 I N 1.132 121.760 120.570 0.096 0.000 2.500 114 I HA -0.146 4.054 4.170 0.050 0.000 0.252 114 I C 2.059 178.291 176.117 0.192 0.000 1.142 114 I CA 1.151 62.526 61.300 0.125 0.000 1.451 114 I CB -1.307 36.727 38.000 0.056 0.000 1.093 114 I HN 0.190 nan 8.210 nan 0.000 0.430 115 T N -0.122 114.536 114.554 0.173 0.000 2.720 115 T HA -0.228 4.153 4.350 0.050 0.000 0.268 115 T C 1.963 176.804 174.700 0.235 0.000 1.037 115 T CA 1.497 63.722 62.100 0.209 0.000 1.144 115 T CB -0.394 68.599 68.868 0.209 0.000 0.864 115 T HN 0.337 nan 8.240 nan 0.000 0.444 116 H N -0.070 119.100 119.070 0.166 0.000 2.321 116 H HA -0.059 4.528 4.556 0.051 0.000 0.300 116 H C 2.204 177.593 175.328 0.101 0.000 1.087 116 H CA 1.568 57.697 56.048 0.136 0.000 1.319 116 H CB -0.492 29.328 29.762 0.097 0.000 1.379 116 H HN 0.393 nan 8.280 nan 0.000 0.501 117 F N 2.113 122.119 119.950 0.094 0.000 2.095 117 F HA -0.210 4.349 4.527 0.053 0.000 0.298 117 F C 1.955 177.698 175.800 -0.095 0.000 1.104 117 F CA 1.840 59.846 58.000 0.010 0.000 1.232 117 F CB -0.363 38.638 39.000 0.001 0.000 0.987 117 F HN 0.076 nan 8.300 nan 0.000 0.475 118 D N -1.229 119.094 120.400 -0.128 0.000 2.309 118 D HA -0.131 4.539 4.640 0.050 0.000 0.212 118 D C 1.124 177.005 176.300 -0.700 0.000 0.968 118 D CA 1.145 54.894 54.000 -0.418 0.000 0.882 118 D CB -0.334 40.220 40.800 -0.410 0.000 0.918 118 D HN 0.492 nan 8.370 nan 0.000 0.503 119 H N -0.598 118.349 119.070 -0.205 0.000 2.510 119 H HA 0.227 4.813 4.556 0.049 0.000 0.266 119 H C 0.918 176.085 175.328 -0.269 0.000 1.146 119 H CA -0.120 55.808 56.048 -0.200 0.000 0.993 119 H CB 0.512 30.176 29.762 -0.162 0.000 1.727 119 H HN 0.252 nan 8.280 nan 0.000 0.590 120 E N 0.629 120.657 120.200 -0.286 0.000 2.208 120 E HA -0.031 4.349 4.350 0.050 0.000 0.193 120 E C 0.464 176.904 176.600 -0.267 0.000 0.988 120 E CA 0.477 56.683 56.400 -0.322 0.000 0.828 120 E CB 0.484 29.963 29.700 -0.368 0.000 0.763 120 E HN 0.127 nan 8.360 nan 0.000 0.478 121 R N 1.248 121.651 120.500 -0.160 0.000 2.357 121 R HA 0.338 4.708 4.340 0.050 0.000 0.296 121 R C 0.391 176.731 176.300 0.066 0.000 1.052 121 R CA -0.279 55.801 56.100 -0.034 0.000 0.988 121 R CB 0.635 30.906 30.300 -0.048 0.000 1.025 121 R HN 0.158 nan 8.270 nan 0.000 0.469 122 I N -0.680 119.999 120.570 0.182 0.000 2.863 122 I HA 0.597 4.797 4.170 0.050 0.000 0.311 122 I C -2.115 174.067 176.117 0.109 0.000 1.026 122 I CA -2.906 58.487 61.300 0.155 0.000 1.077 122 I CB 1.522 39.645 38.000 0.205 0.000 1.262 122 I HN 0.247 nan 8.210 nan 0.000 0.461 123 P HA 0.080 nan 4.420 nan 0.000 0.266 123 P C -0.898 176.436 177.300 0.056 0.000 1.195 123 P CA -0.078 63.053 63.100 0.052 0.000 0.768 123 P CB 0.409 32.130 31.700 0.034 0.000 0.838 124 E N 2.626 122.861 120.200 0.058 0.000 2.369 124 E HA 0.213 4.593 4.350 0.050 0.000 0.255 124 E C -0.484 176.144 176.600 0.048 0.000 1.172 124 E CA -0.878 55.561 56.400 0.064 0.000 0.932 124 E CB 0.631 30.375 29.700 0.073 0.000 1.040 124 E HN 0.252 nan 8.360 nan 0.000 0.454 125 R N 0.793 121.327 120.500 0.057 0.000 2.640 125 R HA 0.001 4.371 4.340 0.050 0.000 0.270 125 R C 1.295 177.632 176.300 0.061 0.000 1.024 125 R CA -0.430 55.702 56.100 0.052 0.000 1.085 125 R CB 0.257 30.607 30.300 0.083 0.000 0.963 125 R HN 0.568 nan 8.270 nan 0.000 0.426 126 I N 1.997 122.597 120.570 0.050 0.000 2.208 126 I HA -0.159 4.041 4.170 0.050 0.000 0.245 126 I C 1.257 177.430 176.117 0.092 0.000 1.097 126 I CA 1.591 62.929 61.300 0.065 0.000 1.363 126 I CB -1.086 36.955 38.000 0.068 0.000 1.051 126 I HN 0.408 nan 8.210 nan 0.000 0.413 127 V N -3.383 116.621 119.914 0.151 0.000 3.074 127 V HA 0.507 4.657 4.120 0.050 0.000 0.314 127 V C 0.453 176.724 176.094 0.295 0.000 1.117 127 V CA -0.852 61.566 62.300 0.196 0.000 1.014 127 V CB 1.714 33.728 31.823 0.318 0.000 1.057 127 V HN 0.456 nan 8.190 nan 0.000 0.438 128 H N 0.118 119.251 119.070 0.106 0.000 2.862 128 H HA -0.225 4.358 4.556 0.045 0.000 0.290 128 H C 1.540 176.915 175.328 0.079 0.000 1.211 128 H CA 0.726 56.829 56.048 0.092 0.000 1.140 128 H CB -1.261 28.544 29.762 0.071 0.000 1.341 128 H HN 1.143 nan 8.280 nan 0.000 0.392 129 A N 0.788 123.699 122.820 0.152 0.000 2.019 129 A HA -0.102 4.248 4.320 0.050 0.000 0.219 129 A C 1.676 179.351 177.584 0.150 0.000 1.164 129 A CA 1.290 53.406 52.037 0.131 0.000 0.644 129 A CB -0.078 18.979 19.000 0.094 0.000 0.805 129 A HN 0.270 nan 8.150 nan 0.000 0.449 130 R N 0.103 120.692 120.500 0.149 0.000 2.207 130 R HA 0.526 4.896 4.340 0.050 0.000 0.334 130 R C -0.128 176.297 176.300 0.208 0.000 1.013 130 R CA 0.666 56.871 56.100 0.177 0.000 0.858 130 R CB 0.366 30.756 30.300 0.149 0.000 1.094 130 R HN 0.316 nan 8.270 nan 0.000 0.457 131 G N 0.749 109.697 108.800 0.247 0.000 2.646 131 G HA2 0.531 4.521 3.960 0.050 0.000 0.291 131 G HA3 0.531 4.521 3.960 0.050 0.000 0.291 131 G C -1.628 173.428 174.900 0.259 0.000 1.445 131 G CA -0.593 44.621 45.100 0.190 0.000 0.814 131 G HN 0.502 nan 8.290 nan 0.000 0.495 132 S N -1.184 114.606 115.700 0.150 0.000 2.540 132 S HA 0.892 5.392 4.470 0.050 0.000 0.275 132 S C -0.287 174.313 174.600 0.000 0.000 1.123 132 S CA -0.098 58.247 58.200 0.243 0.000 0.907 132 S CB 1.775 65.234 63.200 0.432 0.000 1.081 132 S HN 1.679 nan 8.310 nan 0.000 0.476 133 A N 1.387 124.172 122.820 -0.059 0.000 2.515 133 A HA 1.030 5.380 4.320 0.050 0.000 0.296 133 A C -0.970 176.394 177.584 -0.367 0.000 1.094 133 A CA -0.646 51.115 52.037 -0.460 0.000 0.718 133 A CB 1.622 20.195 19.000 -0.711 0.000 1.307 133 A HN 1.401 nan 8.150 nan 0.000 0.408 134 A N 0.591 123.028 122.820 -0.637 0.000 2.609 134 A HA 0.745 5.095 4.320 0.050 0.000 0.291 134 A C -1.150 176.229 177.584 -0.341 0.000 1.096 134 A CA -0.645 51.197 52.037 -0.325 0.000 0.684 134 A CB 0.789 19.695 19.000 -0.158 0.000 1.282 134 A HN 0.882 nan 8.150 nan 0.000 0.412 135 H N -0.443 118.653 119.070 0.043 0.000 2.482 135 H HA 0.694 5.281 4.556 0.052 0.000 0.344 135 H C 0.591 175.916 175.328 -0.005 0.000 1.151 135 H CA 0.843 56.970 56.048 0.133 0.000 1.300 135 H CB 1.858 31.693 29.762 0.122 0.000 1.494 135 H HN 1.143 nan 8.280 nan 0.000 0.542 136 G N 0.587 109.485 108.800 0.164 0.000 2.578 136 G HA2 0.364 4.355 3.960 0.050 0.000 0.302 136 G HA3 0.364 4.355 3.960 0.050 0.000 0.302 136 G C -2.009 173.024 174.900 0.222 0.000 1.243 136 G CA -0.611 44.541 45.100 0.087 0.000 0.843 136 G HN 0.625 nan 8.290 nan 0.000 0.486 137 Y N -1.862 118.478 120.300 0.067 0.000 2.625 137 Y HA 0.839 5.419 4.550 0.050 0.000 0.338 137 Y C -1.783 174.263 175.900 0.243 0.000 1.123 137 Y CA -1.936 56.251 58.100 0.146 0.000 1.046 137 Y CB 1.925 40.445 38.460 0.099 0.000 1.299 137 Y HN 0.813 nan 8.280 nan 0.000 0.464 138 F N 1.934 122.056 119.950 0.287 0.000 2.576 138 F HA 0.699 5.258 4.527 0.053 0.000 0.313 138 F C -1.249 174.783 175.800 0.387 0.000 1.078 138 F CA -0.577 57.599 58.000 0.293 0.000 0.921 138 F CB 2.392 41.695 39.000 0.505 0.000 1.232 138 F HN 0.798 nan 8.300 nan 0.000 0.459 139 Q N 6.491 125.793 119.800 -0.830 0.000 2.309 139 Q HA 0.518 4.888 4.340 0.050 0.000 0.273 139 Q C -2.912 172.507 176.000 -0.969 0.000 1.040 139 Q CA -2.360 53.093 55.803 -0.584 0.000 0.834 139 Q CB 3.130 31.827 28.738 -0.069 0.000 1.345 139 Q HN 0.344 nan 8.270 nan 0.000 0.414 140 P HA 0.083 nan 4.420 nan 0.000 0.276 140 P C -0.589 176.657 177.300 -0.089 0.000 1.252 140 P CA 0.101 63.002 63.100 -0.332 0.000 0.802 140 P CB 0.493 32.148 31.700 -0.074 0.000 1.035 141 Y N 0.022 120.268 120.300 -0.089 0.000 2.490 141 Y HA 0.029 4.610 4.550 0.052 0.000 0.285 141 Y C 1.343 177.218 175.900 -0.041 0.000 1.117 141 Y CA 0.083 58.150 58.100 -0.055 0.000 1.262 141 Y CB 0.451 38.886 38.460 -0.043 0.000 1.043 141 Y HN 0.351 nan 8.280 nan 0.000 0.553 142 K N -1.015 119.452 120.400 0.112 0.000 2.607 142 K HA 0.311 4.661 4.320 0.050 0.000 0.287 142 K C -1.101 175.508 176.600 0.015 0.000 0.996 142 K CA -0.885 55.435 56.287 0.054 0.000 0.876 142 K CB 1.438 33.969 32.500 0.052 0.000 1.496 142 K HN -0.245 nan 8.250 nan 0.000 0.415 143 S N 0.955 116.660 115.700 0.008 0.000 2.533 143 S HA 0.184 4.684 4.470 0.050 0.000 0.282 143 S C 0.471 175.062 174.600 -0.016 0.000 1.304 143 S CA -0.667 57.529 58.200 -0.007 0.000 1.063 143 S CB -0.131 63.068 63.200 -0.002 0.000 0.881 143 S HN 0.543 nan 8.310 nan 0.000 0.493 144 L N 4.653 125.856 121.223 -0.034 0.000 2.741 144 L HA 0.152 4.522 4.340 0.050 0.000 0.237 144 L C 1.798 178.652 176.870 -0.026 0.000 1.178 144 L CA -0.166 54.659 54.840 -0.025 0.000 0.973 144 L CB -0.205 41.840 42.059 -0.023 0.000 1.255 144 L HN 0.617 nan 8.230 nan 0.000 0.498 145 S N 0.034 115.717 115.700 -0.027 0.000 2.440 145 S HA -0.170 4.330 4.470 0.050 0.000 0.238 145 S C 1.280 175.864 174.600 -0.026 0.000 1.010 145 S CA 1.217 59.400 58.200 -0.029 0.000 0.972 145 S CB -0.122 63.066 63.200 -0.020 0.000 0.774 145 S HN 0.483 nan 8.310 nan 0.000 0.501 146 D N 1.434 121.823 120.400 -0.018 0.000 2.219 146 D HA -0.013 4.658 4.640 0.050 0.000 0.205 146 D C 1.676 177.961 176.300 -0.026 0.000 0.970 146 D CA 0.841 54.831 54.000 -0.018 0.000 0.851 146 D CB -0.097 40.698 40.800 -0.009 0.000 0.943 146 D HN 0.658 nan 8.370 nan 0.000 0.488 147 I N -4.438 116.118 120.570 -0.024 0.000 4.323 147 I HA 0.239 4.439 4.170 0.050 0.000 0.328 147 I C 0.424 176.502 176.117 -0.064 0.000 1.310 147 I CA -0.082 61.196 61.300 -0.038 0.000 1.186 147 I CB 1.167 39.164 38.000 -0.006 0.000 1.130 147 I HN -0.258 nan 8.210 nan 0.000 0.411 148 T N 1.652 116.171 114.554 -0.059 0.000 2.956 148 T HA 0.318 4.698 4.350 0.050 0.000 0.312 148 T C -0.110 174.540 174.700 -0.083 0.000 1.151 148 T CA -0.705 61.341 62.100 -0.089 0.000 1.024 148 T CB 1.749 70.555 68.868 -0.103 0.000 1.140 148 T HN 0.418 nan 8.240 nan 0.000 0.473 149 K N 2.557 122.906 120.400 -0.084 0.000 2.476 149 K HA 0.565 4.915 4.320 0.050 0.000 0.196 149 K C 0.694 177.258 176.600 -0.059 0.000 1.025 149 K CA -0.362 55.887 56.287 -0.063 0.000 1.138 149 K CB 0.192 32.660 32.500 -0.053 0.000 0.860 149 K HN 0.488 nan 8.250 nan 0.000 0.515 150 A N 2.064 124.827 122.820 -0.096 0.000 2.522 150 A HA -0.047 4.303 4.320 0.050 0.000 0.256 150 A C 0.585 178.138 177.584 -0.051 0.000 1.086 150 A CA 0.031 52.025 52.037 -0.072 0.000 0.763 150 A CB 0.089 18.987 19.000 -0.169 0.000 1.024 150 A HN 0.489 nan 8.150 nan 0.000 0.502 151 D N 2.237 122.679 120.400 0.070 0.000 2.149 151 D HA -0.239 4.431 4.640 0.050 0.000 0.198 151 D C 1.355 177.733 176.300 0.131 0.000 0.990 151 D CA 2.249 56.305 54.000 0.092 0.000 0.839 151 D CB -0.247 40.628 40.800 0.125 0.000 0.948 151 D HN 0.740 nan 8.370 nan 0.000 0.460 152 F N -0.567 119.409 119.950 0.043 0.000 2.546 152 F HA 0.127 4.685 4.527 0.052 0.000 0.298 152 F C 1.105 176.999 175.800 0.157 0.000 1.120 152 F CA 0.415 58.484 58.000 0.115 0.000 1.456 152 F CB -0.257 38.815 39.000 0.120 0.000 1.088 152 F HN -0.057 nan 8.300 nan 0.000 0.572 153 L N 0.904 121.815 121.223 -0.519 0.000 2.700 153 L HA 0.181 4.551 4.340 0.050 0.000 0.234 153 L C 1.913 178.694 176.870 -0.149 0.000 1.156 153 L CA 0.339 54.946 54.840 -0.389 0.000 0.946 153 L CB -0.212 41.508 42.059 -0.566 0.000 1.216 153 L HN 0.339 nan 8.230 nan 0.000 0.493 154 S N -2.706 112.954 115.700 -0.067 0.000 2.501 154 S HA 0.058 4.558 4.470 0.050 0.000 0.220 154 S C 0.516 175.115 174.600 -0.002 0.000 0.997 154 S CA -0.148 58.036 58.200 -0.027 0.000 0.919 154 S CB 0.366 63.565 63.200 -0.002 0.000 0.778 154 S HN 0.358 nan 8.310 nan 0.000 0.523 155 D N 0.471 120.880 120.400 0.016 0.000 2.803 155 D HA 0.256 4.926 4.640 0.050 0.000 0.218 155 D C -2.630 173.690 176.300 0.033 0.000 1.245 155 D CA -1.560 52.456 54.000 0.026 0.000 0.821 155 D CB 2.354 43.175 40.800 0.035 0.000 1.626 155 D HN -0.163 nan 8.370 nan 0.000 0.487 156 P HA -0.083 nan 4.420 nan 0.000 0.228 156 P C 0.747 178.071 177.300 0.041 0.000 1.151 156 P CA 0.804 63.925 63.100 0.035 0.000 0.770 156 P CB -0.204 31.524 31.700 0.047 0.000 0.786 157 N N -0.628 118.099 118.700 0.044 0.000 2.461 157 N HA -0.047 4.723 4.740 0.050 0.000 0.188 157 N C 0.653 176.203 175.510 0.067 0.000 1.134 157 N CA -0.295 52.783 53.050 0.047 0.000 0.878 157 N CB -0.210 38.300 38.487 0.037 0.000 0.972 157 N HN -0.017 nan 8.380 nan 0.000 0.456 158 K N 1.635 122.087 120.400 0.088 0.000 2.273 158 K HA 0.268 4.619 4.320 0.050 0.000 0.287 158 K C -0.838 175.869 176.600 0.178 0.000 1.089 158 K CA -0.290 56.080 56.287 0.138 0.000 0.909 158 K CB 0.630 33.234 32.500 0.173 0.000 1.123 158 K HN 0.180 nan 8.250 nan 0.000 0.473 159 I N 3.744 124.415 120.570 0.168 0.000 2.315 159 I HA 0.133 4.333 4.170 0.050 0.000 0.291 159 I C -0.171 176.120 176.117 0.290 0.000 1.006 159 I CA -0.393 61.032 61.300 0.210 0.000 1.265 159 I CB 1.736 39.792 38.000 0.094 0.000 1.387 159 I HN 0.487 nan 8.210 nan 0.000 0.475 160 T N 7.644 122.463 114.554 0.442 0.000 2.772 160 T HA 0.346 4.726 4.350 0.050 0.000 0.288 160 T C -2.439 172.529 174.700 0.447 0.000 0.994 160 T CA -1.427 60.955 62.100 0.470 0.000 0.951 160 T CB 1.438 70.702 68.868 0.659 0.000 0.933 160 T HN 0.245 nan 8.240 nan 0.000 0.447 161 P HA 0.240 nan 4.420 nan 0.000 0.269 161 P C -0.651 176.896 177.300 0.411 0.000 1.215 161 P CA -0.412 62.887 63.100 0.332 0.000 0.780 161 P CB 0.482 32.296 31.700 0.190 0.000 0.898 162 V N -0.638 119.459 119.914 0.304 0.000 3.040 162 V HA 0.738 4.888 4.120 0.050 0.000 0.312 162 V C -1.308 174.955 176.094 0.282 0.000 1.115 162 V CA -0.956 61.426 62.300 0.136 0.000 0.998 162 V CB 2.213 33.898 31.823 -0.230 0.000 1.042 162 V HN 0.340 nan 8.190 nan 0.000 0.433 163 F N 2.334 122.279 119.950 -0.008 0.000 2.539 163 F HA 0.843 5.397 4.527 0.046 0.000 0.318 163 F C -0.870 174.834 175.800 -0.160 0.000 1.135 163 F CA -0.781 57.143 58.000 -0.126 0.000 0.915 163 F CB 1.989 40.943 39.000 -0.077 0.000 1.176 163 F HN 0.523 nan 8.300 nan 0.000 0.440 164 V N 6.730 126.191 119.914 -0.755 0.000 2.495 164 V HA 0.563 4.713 4.120 0.050 0.000 0.298 164 V C -0.631 174.770 176.094 -1.155 0.000 1.031 164 V CA -0.815 60.954 62.300 -0.885 0.000 0.871 164 V CB 1.892 33.120 31.823 -0.991 0.000 0.988 164 V HN 0.741 nan 8.190 nan 0.000 0.432 165 R N 3.735 123.561 120.500 -1.124 0.000 2.480 165 R HA 0.609 4.979 4.340 0.050 0.000 0.306 165 R C -1.555 174.128 176.300 -1.027 0.000 0.958 165 R CA -0.437 55.102 56.100 -0.935 0.000 0.861 165 R CB 1.131 31.067 30.300 -0.606 0.000 1.171 165 R HN 0.551 nan 8.270 nan 0.000 0.445 166 F N 1.921 121.446 119.950 -0.708 0.000 2.399 166 F HA 0.496 5.054 4.527 0.051 0.000 0.328 166 F C 0.498 175.936 175.800 -0.604 0.000 1.084 166 F CA -0.237 57.229 58.000 -0.891 0.000 1.053 166 F CB 2.085 40.036 39.000 -1.748 0.000 1.209 166 F HN 0.576 nan 8.300 nan 0.000 0.502 167 S N -1.026 114.593 115.700 -0.135 0.000 2.588 167 S HA 0.607 5.107 4.470 0.050 0.000 0.269 167 S C -0.536 174.198 174.600 0.224 0.000 1.157 167 S CA -0.921 57.345 58.200 0.109 0.000 0.824 167 S CB 1.313 64.626 63.200 0.187 0.000 1.126 167 S HN 0.734 nan 8.310 nan 0.000 0.464 168 T N -1.226 113.461 114.554 0.221 0.000 2.833 168 T HA 0.639 5.020 4.350 0.050 0.000 0.312 168 T C 0.857 175.524 174.700 -0.055 0.000 1.085 168 T CA -0.023 62.164 62.100 0.145 0.000 0.955 168 T CB 0.157 69.116 68.868 0.152 0.000 1.353 168 T HN 0.630 nan 8.240 nan 0.000 0.544 169 V N -0.198 119.644 119.914 -0.120 0.000 2.948 169 V HA 0.122 4.272 4.120 0.050 0.000 0.234 169 V C 2.754 178.776 176.094 -0.119 0.000 1.205 169 V CA 0.305 62.409 62.300 -0.327 0.000 1.234 169 V CB -0.339 31.355 31.823 -0.214 0.000 1.020 169 V HN 0.858 nan 8.190 nan 0.000 0.491 170 Q N 1.139 120.905 119.800 -0.057 0.000 2.062 170 Q HA 0.051 4.421 4.340 0.050 0.000 0.196 170 Q C 1.271 177.251 176.000 -0.033 0.000 0.967 170 Q CA 1.454 57.224 55.803 -0.056 0.000 0.832 170 Q CB -0.271 28.421 28.738 -0.078 0.000 0.899 170 Q HN 0.586 nan 8.270 nan 0.000 0.442 171 G N -0.196 108.598 108.800 -0.009 0.000 2.606 171 G HA2 0.400 4.390 3.960 0.050 0.000 0.252 171 G HA3 0.400 4.390 3.960 0.050 0.000 0.252 171 G C 0.100 175.010 174.900 0.016 0.000 1.206 171 G CA 0.050 45.148 45.100 -0.002 0.000 0.861 171 G HN 0.336 nan 8.290 nan 0.000 0.561 172 G N -1.129 107.677 108.800 0.009 0.000 2.651 172 G HA2 0.469 4.459 3.960 0.050 0.000 0.260 172 G HA3 0.469 4.459 3.960 0.050 0.000 0.260 172 G C 1.324 176.256 174.900 0.052 0.000 1.216 172 G CA 0.431 45.545 45.100 0.024 0.000 0.913 172 G HN 1.082 nan 8.290 nan 0.000 0.535 173 A N -0.549 122.312 122.820 0.069 0.000 2.070 173 A HA 0.130 4.480 4.320 0.050 0.000 0.220 173 A C 2.178 179.802 177.584 0.067 0.000 1.159 173 A CA 1.922 54.018 52.037 0.099 0.000 0.656 173 A CB -0.306 18.770 19.000 0.126 0.000 0.800 173 A HN 1.133 nan 8.150 nan 0.000 0.453 174 G N -0.193 108.627 108.800 0.033 0.000 3.434 174 G HA2 0.350 4.340 3.960 0.050 0.000 0.258 174 G HA3 0.350 4.340 3.960 0.050 0.000 0.258 174 G C 0.630 175.533 174.900 0.004 0.000 1.128 174 G CA 0.642 45.746 45.100 0.008 0.000 0.792 174 G HN 0.641 nan 8.290 nan 0.000 0.539 175 S N -0.289 115.423 115.700 0.019 0.000 2.686 175 S HA 0.773 5.273 4.470 0.050 0.000 0.270 175 S C 0.427 175.042 174.600 0.026 0.000 1.194 175 S CA -0.117 58.090 58.200 0.012 0.000 0.990 175 S CB 1.678 64.886 63.200 0.014 0.000 1.029 175 S HN 0.540 nan 8.310 nan 0.000 0.560 176 A N 0.078 122.908 122.820 0.017 0.000 2.286 176 A HA 0.461 4.811 4.320 0.050 0.000 0.286 176 A C 0.548 178.156 177.584 0.039 0.000 1.097 176 A CA -0.591 51.454 52.037 0.013 0.000 0.821 176 A CB -0.021 18.968 19.000 -0.019 0.000 1.076 176 A HN 0.865 nan 8.150 nan 0.000 0.490 177 D N 0.285 120.697 120.400 0.021 0.000 2.162 177 D HA -0.052 4.618 4.640 0.050 0.000 0.205 177 D C 1.558 177.839 176.300 -0.031 0.000 0.964 177 D CA 2.197 56.225 54.000 0.046 0.000 0.847 177 D CB -0.144 40.645 40.800 -0.019 0.000 0.988 177 D HN 0.670 nan 8.370 nan 0.000 0.480 178 T N -0.192 114.266 114.554 -0.160 0.000 3.332 178 T HA 0.294 4.674 4.350 0.050 0.000 0.246 178 T C 0.811 175.491 174.700 -0.032 0.000 0.943 178 T CA -0.578 61.415 62.100 -0.178 0.000 0.922 178 T CB -0.872 67.809 68.868 -0.311 0.000 1.086 178 T HN -0.090 nan 8.240 nan 0.000 0.590 179 V N -1.234 118.715 119.914 0.058 0.000 3.319 179 V HA 0.452 4.602 4.120 0.050 0.000 0.303 179 V C 0.691 176.930 176.094 0.241 0.000 1.094 179 V CA -1.424 60.962 62.300 0.144 0.000 1.106 179 V CB 0.461 32.358 31.823 0.124 0.000 1.099 179 V HN 0.547 nan 8.190 nan 0.000 0.476 180 R N 1.661 122.368 120.500 0.345 0.000 2.216 180 R HA 0.454 4.824 4.340 0.050 0.000 0.332 180 R C -1.008 175.378 176.300 0.144 0.000 1.056 180 R CA -0.071 56.182 56.100 0.255 0.000 0.901 180 R CB 0.097 30.478 30.300 0.135 0.000 1.039 180 R HN 1.055 nan 8.270 nan 0.000 0.456 181 D N 3.347 123.842 120.400 0.158 0.000 2.671 181 D HA 0.201 4.871 4.640 0.050 0.000 0.273 181 D C -0.596 175.816 176.300 0.186 0.000 1.264 181 D CA -0.627 53.454 54.000 0.136 0.000 0.788 181 D CB 1.261 42.130 40.800 0.115 0.000 1.324 181 D HN 0.218 nan 8.370 nan 0.000 0.424 182 I N 1.364 122.059 120.570 0.209 0.000 2.779 182 I HA 0.234 4.434 4.170 0.050 0.000 0.285 182 I C 0.820 177.070 176.117 0.220 0.000 1.134 182 I CA -0.052 61.383 61.300 0.224 0.000 1.398 182 I CB 0.018 38.181 38.000 0.272 0.000 1.404 182 I HN 0.236 nan 8.210 nan 0.000 0.587 183 R N 2.944 123.596 120.500 0.254 0.000 2.589 183 R HA 0.560 4.930 4.340 0.050 0.000 0.293 183 R C -0.013 176.468 176.300 0.303 0.000 0.963 183 R CA -0.739 55.527 56.100 0.277 0.000 0.905 183 R CB 1.457 31.945 30.300 0.314 0.000 1.144 183 R HN 0.807 nan 8.270 nan 0.000 0.459 184 G N 0.903 109.903 108.800 0.333 0.000 2.476 184 G HA2 0.467 4.457 3.960 0.050 0.000 0.286 184 G HA3 0.467 4.457 3.960 0.050 0.000 0.286 184 G C -1.252 173.741 174.900 0.155 0.000 1.177 184 G CA -0.045 45.236 45.100 0.301 0.000 0.870 184 G HN 0.363 nan 8.290 nan 0.000 0.528 185 F N 1.381 121.240 119.950 -0.151 0.000 3.034 185 F HA 0.623 5.178 4.527 0.047 0.000 0.371 185 F C -0.296 175.215 175.800 -0.483 0.000 1.233 185 F CA -1.743 56.063 58.000 -0.322 0.000 1.134 185 F CB 1.061 39.990 39.000 -0.118 0.000 1.495 185 F HN 0.680 nan 8.300 nan 0.000 0.563 186 A N 3.502 126.050 122.820 -0.454 0.000 2.303 186 A HA 0.791 5.141 4.320 0.050 0.000 0.320 186 A C -0.673 176.456 177.584 -0.759 0.000 1.192 186 A CA -0.463 51.139 52.037 -0.724 0.000 0.821 186 A CB 0.887 19.084 19.000 -1.339 0.000 1.188 186 A HN 0.548 nan 8.150 nan 0.000 0.492 187 T N 2.326 116.607 114.554 -0.455 0.000 2.809 187 T HA 0.387 4.767 4.350 0.050 0.000 0.284 187 T C -0.344 174.167 174.700 -0.314 0.000 0.992 187 T CA -0.474 61.368 62.100 -0.430 0.000 0.957 187 T CB 1.061 69.601 68.868 -0.547 0.000 0.942 187 T HN 0.635 nan 8.240 nan 0.000 0.439 188 K N 3.622 123.921 120.400 -0.168 0.000 2.281 188 K HA 0.433 4.783 4.320 0.050 0.000 0.272 188 K C -1.241 175.029 176.600 -0.550 0.000 1.048 188 K CA -0.583 55.509 56.287 -0.324 0.000 0.898 188 K CB 0.309 32.547 32.500 -0.436 0.000 1.128 188 K HN 0.391 nan 8.250 nan 0.000 0.460 189 F N 4.257 123.912 119.950 -0.493 0.000 2.404 189 F HA 0.226 4.781 4.527 0.047 0.000 0.358 189 F C -0.371 175.218 175.800 -0.353 0.000 1.120 189 F CA -0.545 57.231 58.000 -0.373 0.000 1.144 189 F CB 0.649 39.337 39.000 -0.519 0.000 1.133 189 F HN 0.438 nan 8.300 nan 0.000 0.495 190 Y N 1.912 122.272 120.300 0.099 0.000 2.691 190 Y HA 0.228 4.809 4.550 0.053 0.000 0.338 190 Y C 1.003 176.962 175.900 0.097 0.000 1.148 190 Y CA -0.845 57.297 58.100 0.069 0.000 1.430 190 Y CB -0.105 38.386 38.460 0.051 0.000 1.303 190 Y HN 0.554 nan 8.280 nan 0.000 0.499 191 T N -2.192 112.461 114.554 0.165 0.000 2.847 191 T HA 0.186 4.566 4.350 0.050 0.000 0.279 191 T C 0.968 175.765 174.700 0.163 0.000 0.984 191 T CA -0.720 61.480 62.100 0.167 0.000 0.988 191 T CB 1.099 70.033 68.868 0.109 0.000 1.040 191 T HN 0.652 nan 8.240 nan 0.000 0.528 192 E N -0.057 120.244 120.200 0.168 0.000 2.418 192 E HA -0.035 4.346 4.350 0.050 0.000 0.197 192 E C 1.068 177.739 176.600 0.118 0.000 1.026 192 E CA 0.662 57.143 56.400 0.135 0.000 0.862 192 E CB 0.125 29.902 29.700 0.127 0.000 0.799 192 E HN 0.721 nan 8.360 nan 0.000 0.518 193 E N 0.097 120.370 120.200 0.121 0.000 2.624 193 E HA 0.248 4.628 4.350 0.050 0.000 0.210 193 E C 0.095 176.747 176.600 0.088 0.000 0.997 193 E CA -0.229 56.234 56.400 0.105 0.000 0.999 193 E CB 1.317 31.082 29.700 0.108 0.000 1.040 193 E HN 0.179 nan 8.360 nan 0.000 0.469 194 G N 1.139 109.987 108.800 0.079 0.000 2.362 194 G HA2 -0.097 3.893 3.960 0.050 0.000 0.656 194 G HA3 -0.097 3.893 3.960 0.050 0.000 0.656 194 G C -0.914 173.999 174.900 0.023 0.000 1.376 194 G CA -1.116 44.008 45.100 0.040 0.000 0.971 194 G HN 0.010 nan 8.290 nan 0.000 0.636 195 I N 0.766 121.315 120.570 -0.035 0.000 2.556 195 I HA 0.344 4.544 4.170 0.050 0.000 0.284 195 I C 0.120 176.252 176.117 0.026 0.000 1.114 195 I CA 0.111 61.363 61.300 -0.081 0.000 1.418 195 I CB 0.641 38.530 38.000 -0.185 0.000 1.394 195 I HN 0.467 nan 8.210 nan 0.000 0.552 196 F N 6.888 126.736 119.950 -0.170 0.000 2.427 196 F HA 0.442 4.998 4.527 0.049 0.000 0.348 196 F C -0.571 175.195 175.800 -0.057 0.000 1.125 196 F CA -1.276 56.625 58.000 -0.165 0.000 0.989 196 F CB 0.770 39.520 39.000 -0.417 0.000 1.165 196 F HN 0.344 nan 8.300 nan 0.000 0.442 197 D N 6.667 126.894 120.400 -0.290 0.000 2.280 197 D HA 0.258 4.928 4.640 0.050 0.000 0.236 197 D C -0.956 174.889 176.300 -0.757 0.000 1.082 197 D CA -0.092 53.666 54.000 -0.403 0.000 0.834 197 D CB 2.102 42.862 40.800 -0.066 0.000 1.100 197 D HN 0.481 nan 8.370 nan 0.000 0.486 198 L N 3.854 124.587 121.223 -0.816 0.000 2.283 198 L HA 0.283 4.653 4.340 0.050 0.000 0.281 198 L C -1.060 175.575 176.870 -0.391 0.000 1.033 198 L CA -0.654 53.767 54.840 -0.698 0.000 0.848 198 L CB 1.204 42.849 42.059 -0.689 0.000 1.226 198 L HN 0.087 nan 8.230 nan 0.000 0.429 199 V N 5.977 125.696 119.914 -0.324 0.000 2.259 199 V HA 0.691 4.841 4.120 0.050 0.000 0.267 199 V C 0.792 176.771 176.094 -0.192 0.000 1.051 199 V CA -0.143 61.978 62.300 -0.297 0.000 0.830 199 V CB 0.410 32.017 31.823 -0.361 0.000 1.080 199 V HN 0.850 nan 8.190 nan 0.000 0.467 200 G N 3.157 111.863 108.800 -0.157 0.000 2.597 200 G HA2 0.665 4.655 3.960 0.050 0.000 0.317 200 G HA3 0.665 4.655 3.960 0.050 0.000 0.317 200 G C -0.815 174.104 174.900 0.031 0.000 1.230 200 G CA -0.561 44.503 45.100 -0.059 0.000 0.996 200 G HN 0.481 nan 8.290 nan 0.000 0.490 201 N N -1.108 117.657 118.700 0.108 0.000 2.966 201 N HA 0.243 5.013 4.740 0.050 0.000 0.314 201 N C 0.444 176.133 175.510 0.298 0.000 1.397 201 N CA -0.757 52.417 53.050 0.207 0.000 0.776 201 N CB 1.364 39.954 38.487 0.172 0.000 1.576 201 N HN 0.532 nan 8.380 nan 0.000 0.592 202 N N -1.304 117.589 118.700 0.322 0.000 2.270 202 N HA -0.006 4.765 4.740 0.050 0.000 0.198 202 N C -0.407 175.363 175.510 0.433 0.000 1.117 202 N CA -0.061 53.235 53.050 0.410 0.000 0.845 202 N CB -0.111 38.594 38.487 0.363 0.000 0.980 202 N HN 0.552 nan 8.380 nan 0.000 0.486 203 T N -3.655 110.968 114.554 0.115 0.000 2.916 203 T HA 0.479 4.859 4.350 0.050 0.000 0.292 203 T C -2.628 171.423 174.700 -1.081 0.000 1.064 203 T CA -1.619 60.094 62.100 -0.646 0.000 1.011 203 T CB 2.888 71.257 68.868 -0.831 0.000 1.152 203 T HN -0.218 nan 8.240 nan 0.000 0.510 204 P HA 0.242 nan 4.420 nan 0.000 0.255 204 P C 0.285 177.062 177.300 -0.871 0.000 1.248 204 P CA -0.020 62.165 63.100 -1.526 0.000 0.807 204 P CB -0.068 30.671 31.700 -1.601 0.000 1.150 205 I N -4.474 115.565 120.570 -0.885 0.000 3.354 205 I HA 0.554 4.754 4.170 0.050 0.000 0.316 205 I C -1.595 174.249 176.117 -0.454 0.000 1.182 205 I CA -1.825 59.106 61.300 -0.616 0.000 0.942 205 I CB 1.635 39.215 38.000 -0.700 0.000 1.299 205 I HN -0.231 nan 8.210 nan 0.000 0.473 206 F N 0.162 119.821 119.950 -0.484 0.000 2.639 206 F HA 0.514 5.076 4.527 0.059 0.000 0.339 206 F C 0.282 175.827 175.800 -0.424 0.000 1.071 206 F CA -0.783 56.964 58.000 -0.422 0.000 0.994 206 F CB 2.029 40.918 39.000 -0.184 0.000 1.341 206 F HN 0.394 nan 8.300 nan 0.000 0.498 207 F N 2.030 121.098 119.950 -1.469 0.000 2.259 207 F HA 0.034 4.589 4.527 0.046 0.000 0.298 207 F C 0.702 176.180 175.800 -0.536 0.000 1.088 207 F CA 0.839 58.211 58.000 -1.047 0.000 1.358 207 F CB -0.080 37.872 39.000 -1.746 0.000 1.040 207 F HN 0.125 nan 8.300 nan 0.000 0.505 208 I N -3.306 117.210 120.570 -0.089 0.000 3.002 208 I HA 0.363 4.564 4.170 0.050 0.000 0.310 208 I C 0.387 176.660 176.117 0.259 0.000 1.087 208 I CA -0.862 60.531 61.300 0.154 0.000 1.017 208 I CB 1.841 40.005 38.000 0.274 0.000 1.226 208 I HN -0.145 nan 8.210 nan 0.000 0.443 209 Q N 0.339 120.287 119.800 0.247 0.000 2.226 209 Q HA 0.116 4.486 4.340 0.050 0.000 0.199 209 Q C -0.229 175.946 176.000 0.292 0.000 0.945 209 Q CA 0.746 56.734 55.803 0.309 0.000 0.861 209 Q CB 0.409 29.395 28.738 0.414 0.000 0.953 209 Q HN 0.649 nan 8.270 nan 0.000 0.490 210 D N -1.146 119.398 120.400 0.240 0.000 2.505 210 D HA 0.306 4.976 4.640 0.050 0.000 0.249 210 D C 0.070 176.497 176.300 0.212 0.000 1.082 210 D CA -0.179 53.932 54.000 0.185 0.000 0.839 210 D CB 1.840 42.722 40.800 0.137 0.000 1.317 210 D HN 0.054 nan 8.370 nan 0.000 0.497 211 A N 3.415 126.330 122.820 0.158 0.000 1.986 211 A HA -0.262 4.088 4.320 0.050 0.000 0.220 211 A C 1.809 179.509 177.584 0.193 0.000 1.171 211 A CA 1.813 53.936 52.037 0.143 0.000 0.640 211 A CB -0.789 18.241 19.000 0.051 0.000 0.811 211 A HN 0.811 nan 8.150 nan 0.000 0.451 212 H N -0.030 119.099 119.070 0.100 0.000 2.456 212 H HA 0.010 4.599 4.556 0.055 0.000 0.296 212 H C 1.433 176.841 175.328 0.133 0.000 1.079 212 H CA 1.799 57.898 56.048 0.085 0.000 1.322 212 H CB 0.014 29.804 29.762 0.046 0.000 1.388 212 H HN 0.437 nan 8.280 nan 0.000 0.538 213 K N -0.591 119.919 120.400 0.183 0.000 2.417 213 K HA -0.017 4.333 4.320 0.050 0.000 0.196 213 K C 1.197 177.937 176.600 0.232 0.000 1.023 213 K CA -0.119 56.278 56.287 0.182 0.000 1.122 213 K CB 0.075 32.745 32.500 0.283 0.000 0.850 213 K HN 0.273 nan 8.250 nan 0.000 0.521 214 F N 2.860 122.861 119.950 0.084 0.000 2.126 214 F HA -0.144 4.397 4.527 0.023 0.000 0.299 214 F C -1.030 174.785 175.800 0.025 0.000 1.096 214 F CA 1.325 59.403 58.000 0.129 0.000 1.255 214 F CB -0.289 38.774 39.000 0.106 0.000 0.997 214 F HN 0.027 nan 8.300 nan 0.000 0.479 215 P HA -0.104 nan 4.420 nan 0.000 0.221 215 P C 0.976 177.950 177.300 -0.543 0.000 1.150 215 P CA 1.487 64.343 63.100 -0.406 0.000 0.800 215 P CB -0.028 31.454 31.700 -0.363 0.000 0.787 216 D N -1.193 119.039 120.400 -0.280 0.000 2.084 216 D HA -0.150 4.520 4.640 0.050 0.000 0.196 216 D C 1.784 177.783 176.300 -0.502 0.000 0.985 216 D CA 1.062 54.931 54.000 -0.218 0.000 0.826 216 D CB -0.824 40.026 40.800 0.083 0.000 0.978 216 D HN 0.144 nan 8.370 nan 0.000 0.456 217 F N 1.759 121.306 119.950 -0.672 0.000 2.095 217 F HA -0.227 4.324 4.527 0.040 0.000 0.298 217 F C 2.271 177.689 175.800 -0.636 0.000 1.104 217 F CA 1.167 58.590 58.000 -0.961 0.000 1.232 217 F CB -0.139 38.529 39.000 -0.553 0.000 0.987 217 F HN -0.247 nan 8.300 nan 0.000 0.475 218 V N 0.068 119.566 119.914 -0.694 0.000 2.427 218 V HA -0.311 3.839 4.120 0.050 0.000 0.248 218 V C 2.229 178.098 176.094 -0.374 0.000 1.051 218 V CA 2.327 64.254 62.300 -0.622 0.000 1.048 218 V CB -1.003 30.479 31.823 -0.570 0.000 0.666 218 V HN 0.462 nan 8.190 nan 0.000 0.456 219 H N -0.158 118.684 119.070 -0.381 0.000 2.387 219 H HA -0.144 4.444 4.556 0.053 0.000 0.299 219 H C 2.314 177.490 175.328 -0.253 0.000 1.099 219 H CA 1.090 56.993 56.048 -0.241 0.000 1.315 219 H CB 0.052 29.722 29.762 -0.152 0.000 1.380 219 H HN 0.489 nan 8.280 nan 0.000 0.513 220 A N 0.386 123.027 122.820 -0.299 0.000 1.930 220 A HA -0.092 4.259 4.320 0.050 0.000 0.217 220 A C 2.483 179.911 177.584 -0.260 0.000 1.175 220 A CA 1.234 53.096 52.037 -0.292 0.000 0.627 220 A CB -0.585 18.105 19.000 -0.516 0.000 0.815 220 A HN 0.301 nan 8.150 nan 0.000 0.443 221 V N -0.270 119.363 119.914 -0.468 0.000 2.649 221 V HA 0.006 4.156 4.120 0.050 0.000 0.248 221 V C 0.908 176.970 176.094 -0.053 0.000 1.054 221 V CA 0.794 62.891 62.300 -0.340 0.000 1.073 221 V CB -0.453 30.968 31.823 -0.671 0.000 0.699 221 V HN 0.326 nan 8.190 nan 0.000 0.463 222 K N 1.009 121.340 120.400 -0.115 0.000 2.187 222 K HA 0.201 4.551 4.320 0.050 0.000 0.247 222 K C -2.276 174.281 176.600 -0.072 0.000 1.019 222 K CA -1.525 54.714 56.287 -0.080 0.000 0.893 222 K CB -0.411 32.035 32.500 -0.090 0.000 1.025 222 K HN 0.180 nan 8.250 nan 0.000 0.500 223 P HA -0.004 nan 4.420 nan 0.000 0.266 223 P C -0.515 176.728 177.300 -0.095 0.000 1.195 223 P CA 0.352 63.319 63.100 -0.221 0.000 0.768 223 P CB 0.384 31.960 31.700 -0.207 0.000 0.838 224 E N 4.810 124.999 120.200 -0.020 0.000 2.383 224 E HA 0.027 4.407 4.350 0.050 0.000 0.264 224 E C -1.360 175.331 176.600 0.151 0.000 1.050 224 E CA -1.393 55.107 56.400 0.167 0.000 0.896 224 E CB 0.178 30.111 29.700 0.389 0.000 0.982 224 E HN 0.417 nan 8.360 nan 0.000 0.424 225 P HA -0.159 nan 4.420 nan 0.000 0.227 225 P C 0.957 178.338 177.300 0.135 0.000 1.161 225 P CA 1.160 64.309 63.100 0.082 0.000 0.788 225 P CB 0.082 31.805 31.700 0.038 0.000 0.822 226 H N -0.470 118.645 119.070 0.074 0.000 2.299 226 H HA -0.090 4.495 4.556 0.049 0.000 0.302 226 H C 1.447 176.883 175.328 0.180 0.000 1.078 226 H CA 1.495 57.577 56.048 0.056 0.000 1.323 226 H CB -1.380 28.345 29.762 -0.061 0.000 1.381 226 H HN 0.300 nan 8.280 nan 0.000 0.498 227 W N -0.009 120.942 121.300 -0.580 0.000 2.870 227 W HA 0.692 5.381 4.660 0.048 0.000 0.358 227 W C 0.415 176.768 176.519 -0.276 0.000 1.043 227 W CA -0.957 56.154 57.345 -0.390 0.000 1.692 227 W CB -0.709 28.471 29.460 -0.466 0.000 1.100 227 W HN 0.463 nan 8.180 nan 0.000 0.557 228 A N 1.355 124.141 122.820 -0.057 0.000 2.667 228 A HA -0.151 4.199 4.320 0.050 0.000 0.298 228 A C -0.440 176.901 177.584 -0.404 0.000 1.483 228 A CA 1.422 53.350 52.037 -0.182 0.000 0.738 228 A CB -2.401 16.527 19.000 -0.121 0.000 1.067 228 A HN 0.457 nan 8.150 nan 0.000 0.451 229 I N 0.441 120.619 120.570 -0.654 0.000 2.730 229 I HA 0.586 4.786 4.170 0.050 0.000 0.298 229 I C -2.474 173.325 176.117 -0.529 0.000 1.089 229 I CA -2.403 58.428 61.300 -0.782 0.000 1.041 229 I CB 2.974 40.002 38.000 -1.621 0.000 1.235 229 I HN 0.213 nan 8.210 nan 0.000 0.423 230 P HA 0.340 nan 4.420 nan 0.000 0.292 230 P C -1.670 175.467 177.300 -0.272 0.000 1.308 230 P CA -0.909 61.971 63.100 -0.367 0.000 0.933 230 P CB 1.716 33.276 31.700 -0.233 0.000 1.217 231 Q N 0.564 120.250 119.800 -0.190 0.000 2.267 231 Q HA 0.502 4.872 4.340 0.050 0.000 0.255 231 Q C 1.030 176.990 176.000 -0.065 0.000 0.923 231 Q CA 0.913 56.641 55.803 -0.126 0.000 0.925 231 Q CB -0.234 28.441 28.738 -0.105 0.000 1.195 231 Q HN 0.816 nan 8.270 nan 0.000 0.417 232 G N 3.254 112.026 108.800 -0.047 0.000 2.198 232 G HA2 -0.286 3.704 3.960 0.050 0.000 0.260 232 G HA3 -0.286 3.704 3.960 0.050 0.000 0.260 232 G C -0.444 174.471 174.900 0.025 0.000 1.025 232 G CA 0.556 45.654 45.100 -0.002 0.000 0.769 232 G HN 0.544 nan 8.290 nan 0.000 0.507 233 Q N -0.973 118.828 119.800 0.002 0.000 2.315 233 Q HA 0.553 4.923 4.340 0.050 0.000 0.273 233 Q C 0.796 176.809 176.000 0.023 0.000 1.053 233 Q CA -0.142 55.691 55.803 0.051 0.000 0.817 233 Q CB 1.795 30.608 28.738 0.125 0.000 1.326 233 Q HN 0.461 nan 8.270 nan 0.000 0.423 234 S N -0.392 115.219 115.700 -0.148 0.000 2.593 234 S HA 0.172 4.672 4.470 0.050 0.000 0.217 234 S C 0.862 175.420 174.600 -0.069 0.000 0.966 234 S CA 0.059 57.948 58.200 -0.517 0.000 0.914 234 S CB 0.240 62.586 63.200 -1.425 0.000 0.776 234 S HN 0.587 nan 8.310 nan 0.000 0.523 235 A N 2.169 125.139 122.820 0.251 0.000 3.091 235 A HA 0.557 4.907 4.320 0.050 0.000 0.264 235 A C 0.068 177.901 177.584 0.415 0.000 1.673 235 A CA -0.678 51.588 52.037 0.381 0.000 1.362 235 A CB -1.089 18.079 19.000 0.281 0.000 1.137 235 A HN 0.897 nan 8.150 nan 0.000 0.617 236 H N -3.671 115.598 119.070 0.332 0.000 3.014 236 H HA 0.520 5.105 4.556 0.048 0.000 0.337 236 H C -0.363 175.167 175.328 0.337 0.000 1.320 236 H CA -0.729 55.479 56.048 0.267 0.000 1.128 236 H CB 0.374 30.250 29.762 0.189 0.000 1.862 236 H HN 0.047 nan 8.280 nan 0.000 0.536 237 D N 0.147 120.726 120.400 0.298 0.000 2.117 237 D HA -0.163 4.507 4.640 0.050 0.000 0.197 237 D C 2.055 178.424 176.300 0.116 0.000 0.987 237 D CA 2.807 56.917 54.000 0.183 0.000 0.829 237 D CB -0.224 40.659 40.800 0.138 0.000 0.961 237 D HN 0.774 nan 8.370 nan 0.000 0.460 238 T N -1.716 112.899 114.554 0.101 0.000 2.867 238 T HA -0.160 4.220 4.350 0.050 0.000 0.268 238 T C 1.894 176.543 174.700 -0.086 0.000 1.057 238 T CA 0.459 62.585 62.100 0.044 0.000 1.136 238 T CB -0.651 68.289 68.868 0.120 0.000 0.874 238 T HN 0.147 nan 8.240 nan 0.000 0.466 239 F N 0.735 120.380 119.950 -0.508 0.000 2.102 239 F HA 0.085 4.639 4.527 0.046 0.000 0.298 239 F C 1.824 177.372 175.800 -0.419 0.000 1.105 239 F CA 0.755 58.380 58.000 -0.624 0.000 1.239 239 F CB -0.543 37.888 39.000 -0.948 0.000 0.991 239 F HN 0.142 nan 8.300 nan 0.000 0.474 240 W N 0.548 121.780 121.300 -0.112 0.000 2.467 240 W HA -0.062 4.632 4.660 0.057 0.000 0.275 240 W C 2.278 178.716 176.519 -0.136 0.000 1.239 240 W CA 0.929 58.188 57.345 -0.143 0.000 1.266 240 W CB -0.535 28.931 29.460 0.010 0.000 1.112 240 W HN 0.074 nan 8.180 nan 0.000 0.576 241 D N -0.514 119.936 120.400 0.084 0.000 2.084 241 D HA -0.302 4.369 4.640 0.050 0.000 0.194 241 D C 1.881 178.189 176.300 0.015 0.000 0.990 241 D CA 1.521 55.549 54.000 0.048 0.000 0.826 241 D CB -0.546 40.290 40.800 0.060 0.000 0.971 241 D HN 0.188 nan 8.370 nan 0.000 0.453 242 Y N 0.312 120.511 120.300 -0.169 0.000 2.181 242 Y HA -0.186 4.396 4.550 0.053 0.000 0.288 242 Y C 2.261 178.031 175.900 -0.217 0.000 1.146 242 Y CA 1.443 59.432 58.100 -0.185 0.000 1.164 242 Y CB -0.361 37.950 38.460 -0.247 0.000 0.982 242 Y HN -0.101 nan 8.280 nan 0.000 0.515 243 V N 0.051 119.853 119.914 -0.187 0.000 2.287 243 V HA -0.336 3.814 4.120 0.050 0.000 0.248 243 V C 2.603 178.642 176.094 -0.092 0.000 1.053 243 V CA 2.203 64.381 62.300 -0.203 0.000 1.027 243 V CB -1.197 30.408 31.823 -0.363 0.000 0.646 243 V HN 0.664 nan 8.190 nan 0.000 0.447 244 S N -0.198 115.494 115.700 -0.013 0.000 2.442 244 S HA -0.098 4.402 4.470 0.050 0.000 0.236 244 S C 1.682 176.249 174.600 -0.054 0.000 1.007 244 S CA 1.492 59.701 58.200 0.015 0.000 0.965 244 S CB -0.474 62.763 63.200 0.061 0.000 0.773 244 S HN 0.568 nan 8.310 nan 0.000 0.504 245 L N -0.151 120.992 121.223 -0.133 0.000 2.616 245 L HA 0.338 4.708 4.340 0.050 0.000 0.229 245 L C 0.534 177.232 176.870 -0.286 0.000 1.110 245 L CA 0.083 54.817 54.840 -0.176 0.000 0.884 245 L CB 0.079 42.036 42.059 -0.171 0.000 1.115 245 L HN 0.237 nan 8.230 nan 0.000 0.481 246 Q N 0.320 119.906 119.800 -0.357 0.000 3.244 246 Q HA 0.233 4.603 4.340 0.050 0.000 0.249 246 Q C -1.967 173.810 176.000 -0.371 0.000 0.951 246 Q CA -1.416 54.133 55.803 -0.425 0.000 0.740 246 Q CB 1.539 29.891 28.738 -0.643 0.000 1.334 246 Q HN -0.016 nan 8.270 nan 0.000 0.448 247 P HA -0.202 nan 4.420 nan 0.000 0.228 247 P C 0.998 177.972 177.300 -0.543 0.000 1.151 247 P CA 0.987 63.834 63.100 -0.421 0.000 0.770 247 P CB 0.250 31.674 31.700 -0.460 0.000 0.786 248 E N 0.747 120.489 120.200 -0.763 0.000 2.219 248 E HA -0.205 4.175 4.350 0.050 0.000 0.198 248 E C 1.465 178.004 176.600 -0.102 0.000 0.998 248 E CA 1.968 58.170 56.400 -0.329 0.000 0.818 248 E CB -1.409 28.189 29.700 -0.170 0.000 0.741 248 E HN 0.292 nan 8.360 nan 0.000 0.477 249 T N -0.610 113.890 114.554 -0.091 0.000 3.035 249 T HA 0.001 4.381 4.350 0.050 0.000 0.268 249 T C 1.946 176.702 174.700 0.093 0.000 1.109 249 T CA 0.507 62.622 62.100 0.025 0.000 1.119 249 T CB -0.312 68.599 68.868 0.071 0.000 0.900 249 T HN 0.154 nan 8.240 nan 0.000 0.503 250 L N -0.080 121.200 121.223 0.094 0.000 2.201 250 L HA -0.032 4.338 4.340 0.050 0.000 0.212 250 L C 2.825 179.857 176.870 0.271 0.000 1.105 250 L CA 1.542 56.513 54.840 0.218 0.000 0.775 250 L CB -0.703 41.493 42.059 0.228 0.000 0.913 250 L HN 0.485 nan 8.230 nan 0.000 0.440 251 H N -0.018 119.092 119.070 0.067 0.000 2.293 251 H HA -0.194 4.393 4.556 0.051 0.000 0.300 251 H C 2.118 177.438 175.328 -0.014 0.000 1.082 251 H CA 1.729 57.814 56.048 0.062 0.000 1.308 251 H CB 0.272 30.038 29.762 0.005 0.000 1.375 251 H HN 0.366 nan 8.280 nan 0.000 0.495 252 N N -0.103 118.408 118.700 -0.315 0.000 2.331 252 N HA -0.117 4.653 4.740 0.050 0.000 0.180 252 N C 1.922 177.252 175.510 -0.299 0.000 1.019 252 N CA 0.618 53.269 53.050 -0.664 0.000 0.881 252 N CB 0.315 37.916 38.487 -1.476 0.000 0.972 252 N HN 0.117 nan 8.380 nan 0.000 0.435 253 V N 1.699 121.662 119.914 0.082 0.000 2.332 253 V HA -0.261 3.889 4.120 0.050 0.000 0.248 253 V C 2.489 178.719 176.094 0.225 0.000 1.055 253 V CA 1.273 63.772 62.300 0.331 0.000 1.038 253 V CB -0.363 31.706 31.823 0.411 0.000 0.651 253 V HN 0.416 nan 8.190 nan 0.000 0.450 254 M N -1.674 118.090 119.600 0.274 0.000 2.108 254 M HA -0.206 4.305 4.480 0.050 0.000 0.261 254 M C 2.075 178.359 176.300 -0.027 0.000 1.066 254 M CA 1.870 57.323 55.300 0.255 0.000 1.107 254 M CB -1.195 31.581 32.600 0.294 0.000 1.356 254 M HN 0.475 nan 8.290 nan 0.000 0.406 255 W N 0.563 121.583 121.300 -0.467 0.000 2.355 255 W HA -0.080 4.613 4.660 0.054 0.000 0.309 255 W C 2.815 179.266 176.519 -0.114 0.000 1.206 255 W CA 1.796 58.853 57.345 -0.479 0.000 1.284 255 W CB -1.089 28.017 29.460 -0.590 0.000 1.145 255 W HN 0.281 nan 8.180 nan 0.000 0.502 256 A N -0.614 122.290 122.820 0.140 0.000 1.972 256 A HA -0.177 4.174 4.320 0.050 0.000 0.219 256 A C 1.919 179.556 177.584 0.089 0.000 1.169 256 A CA 1.652 53.777 52.037 0.147 0.000 0.635 256 A CB -0.567 18.554 19.000 0.203 0.000 0.810 256 A HN 0.112 nan 8.150 nan 0.000 0.446 257 M N 0.614 120.223 119.600 0.014 0.000 2.506 257 M HA 0.028 4.538 4.480 0.050 0.000 0.260 257 M C 1.430 177.767 176.300 0.062 0.000 1.104 257 M CA 0.741 55.988 55.300 -0.087 0.000 1.112 257 M CB -1.328 30.963 32.600 -0.515 0.000 1.401 257 M HN 0.548 nan 8.290 nan 0.000 0.473 258 S N 0.242 116.040 115.700 0.164 0.000 2.641 258 S HA 0.093 4.593 4.470 0.050 0.000 0.261 258 S C 0.714 175.444 174.600 0.216 0.000 1.257 258 S CA -0.399 57.938 58.200 0.230 0.000 0.983 258 S CB 0.944 64.329 63.200 0.309 0.000 0.990 258 S HN 0.175 nan 8.310 nan 0.000 0.572 259 D N 0.112 120.658 120.400 0.244 0.000 2.371 259 D HA 0.046 4.716 4.640 0.050 0.000 0.221 259 D C 1.885 178.331 176.300 0.244 0.000 0.986 259 D CA 0.256 54.421 54.000 0.274 0.000 0.899 259 D CB -0.169 40.860 40.800 0.382 0.000 0.902 259 D HN 0.373 nan 8.370 nan 0.000 0.530 260 R N 0.276 120.914 120.500 0.230 0.000 2.139 260 R HA -0.092 4.278 4.340 0.050 0.000 0.243 260 R C 2.003 178.463 176.300 0.265 0.000 1.145 260 R CA 1.163 57.425 56.100 0.271 0.000 0.976 260 R CB -0.859 29.668 30.300 0.378 0.000 0.866 260 R HN 0.193 nan 8.270 nan 0.000 0.449 261 G N 1.046 109.989 108.800 0.239 0.000 2.848 261 G HA2 0.041 4.031 3.960 0.050 0.000 0.208 261 G HA3 0.041 4.031 3.960 0.050 0.000 0.208 261 G C 0.953 175.997 174.900 0.240 0.000 1.152 261 G CA -0.026 45.208 45.100 0.223 0.000 0.789 261 G HN 0.400 nan 8.290 nan 0.000 0.531 262 I N -2.017 118.705 120.570 0.252 0.000 2.926 262 I HA 0.352 4.552 4.170 0.050 0.000 0.295 262 I C -2.888 173.384 176.117 0.258 0.000 1.463 262 I CA -2.582 58.874 61.300 0.259 0.000 0.892 262 I CB 1.703 39.858 38.000 0.259 0.000 1.874 262 I HN -0.267 nan 8.210 nan 0.000 0.620 263 P HA 0.075 nan 4.420 nan 0.000 0.269 263 P C 0.589 178.036 177.300 0.245 0.000 1.215 263 P CA -0.157 63.054 63.100 0.186 0.000 0.780 263 P CB 1.138 32.878 31.700 0.066 0.000 0.898 264 R N 1.679 122.305 120.500 0.210 0.000 2.115 264 R HA 0.007 4.377 4.340 0.050 0.000 0.230 264 R C 0.428 176.868 176.300 0.232 0.000 1.111 264 R CA 1.462 57.732 56.100 0.283 0.000 0.976 264 R CB -0.397 30.038 30.300 0.225 0.000 0.870 264 R HN 0.549 nan 8.270 nan 0.000 0.445 265 S N -2.765 112.863 115.700 -0.120 0.000 2.552 265 S HA 0.213 4.713 4.470 0.050 0.000 0.272 265 S C -0.348 173.938 174.600 -0.524 0.000 1.150 265 S CA -0.868 57.109 58.200 -0.372 0.000 0.849 265 S CB 0.162 63.274 63.200 -0.146 0.000 1.113 265 S HN 0.111 nan 8.310 nan 0.000 0.458 266 Y N 2.284 122.202 120.300 -0.635 0.000 2.403 266 Y HA 0.050 4.631 4.550 0.052 0.000 0.291 266 Y C 2.335 177.872 175.900 -0.604 0.000 1.143 266 Y CA 1.083 58.679 58.100 -0.840 0.000 1.257 266 Y CB -0.317 37.250 38.460 -1.489 0.000 0.984 266 Y HN 0.567 nan 8.280 nan 0.000 0.550 267 R N -0.533 119.828 120.500 -0.231 0.000 2.235 267 R HA -0.033 4.337 4.340 0.050 0.000 0.213 267 R C 0.984 177.236 176.300 -0.080 0.000 1.059 267 R CA 1.496 57.513 56.100 -0.138 0.000 0.997 267 R CB -0.374 29.843 30.300 -0.138 0.000 0.884 267 R HN 0.328 nan 8.270 nan 0.000 0.462 268 T N -1.882 112.642 114.554 -0.050 0.000 3.374 268 T HA 0.360 4.740 4.350 0.050 0.000 0.267 268 T C 0.129 174.864 174.700 0.057 0.000 0.996 268 T CA -0.688 61.412 62.100 0.000 0.000 0.977 268 T CB -0.060 68.795 68.868 -0.023 0.000 1.149 268 T HN 0.077 nan 8.240 nan 0.000 0.517 269 M N -1.166 118.509 119.600 0.125 0.000 2.619 269 M HA 0.727 5.237 4.480 0.050 0.000 0.297 269 M C -1.233 175.242 176.300 0.292 0.000 1.229 269 M CA -0.864 54.551 55.300 0.191 0.000 0.860 269 M CB 2.160 34.868 32.600 0.181 0.000 1.741 269 M HN -0.147 nan 8.290 nan 0.000 0.462 270 E N 0.438 120.806 120.200 0.280 0.000 2.349 270 E HA 0.610 4.991 4.350 0.050 0.000 0.262 270 E C -0.282 176.388 176.600 0.116 0.000 1.088 270 E CA -0.410 56.090 56.400 0.167 0.000 0.899 270 E CB 1.682 31.419 29.700 0.061 0.000 1.044 270 E HN 0.842 nan 8.360 nan 0.000 0.420 271 G N 0.925 109.643 108.800 -0.136 0.000 2.498 271 G HA2 0.646 4.636 3.960 0.050 0.000 0.312 271 G HA3 0.646 4.636 3.960 0.050 0.000 0.312 271 G C -1.400 173.053 174.900 -0.745 0.000 1.230 271 G CA -0.475 44.498 45.100 -0.212 0.000 0.968 271 G HN 0.311 nan 8.290 nan 0.000 0.481 272 F N -0.808 119.081 119.950 -0.102 0.000 2.608 272 F HA 0.481 5.037 4.527 0.048 0.000 0.309 272 F C 0.981 176.678 175.800 -0.172 0.000 1.103 272 F CA -0.660 57.199 58.000 -0.235 0.000 0.954 272 F CB 2.554 41.369 39.000 -0.310 0.000 1.267 272 F HN 0.607 nan 8.300 nan 0.000 0.444 273 G N -0.333 108.516 108.800 0.081 0.000 2.920 273 G HA2 0.179 4.169 3.960 0.050 0.000 0.208 273 G HA3 0.179 4.169 3.960 0.050 0.000 0.208 273 G C 0.758 175.724 174.900 0.110 0.000 1.159 273 G CA 0.599 45.798 45.100 0.165 0.000 0.784 273 G HN 1.023 nan 8.290 nan 0.000 0.535 274 C N -1.275 117.983 119.300 -0.070 0.000 5.885 274 C HA -0.176 4.315 4.460 0.050 0.000 0.328 274 C C 0.821 175.554 174.990 -0.429 0.000 2.429 274 C CA 0.866 59.674 59.018 -0.349 0.000 2.193 274 C CB -1.962 25.446 27.740 -0.554 0.000 3.232 274 C HN 0.616 nan 8.230 nan 0.000 0.264 275 H N -0.114 118.995 119.070 0.065 0.000 2.670 275 H HA 0.469 5.053 4.556 0.048 0.000 0.361 275 H C -0.172 175.124 175.328 -0.052 0.000 1.169 275 H CA 0.015 56.011 56.048 -0.088 0.000 1.198 275 H CB 0.882 30.436 29.762 -0.345 0.000 1.700 275 H HN 0.276 nan 8.280 nan 0.000 0.542 276 T N 3.014 117.562 114.554 -0.009 0.000 2.799 276 T HA 0.199 4.579 4.350 0.050 0.000 0.296 276 T C 0.216 174.871 174.700 -0.076 0.000 0.947 276 T CA 0.208 62.288 62.100 -0.034 0.000 1.141 276 T CB -0.423 68.369 68.868 -0.126 0.000 0.891 276 T HN 0.198 nan 8.240 nan 0.000 0.533 277 F N 1.425 121.346 119.950 -0.047 0.000 2.544 277 F HA 0.642 5.196 4.527 0.046 0.000 0.378 277 F C 1.151 176.919 175.800 -0.053 0.000 1.112 277 F CA -1.327 56.672 58.000 -0.002 0.000 1.115 277 F CB 1.244 40.249 39.000 0.008 0.000 1.436 277 F HN 0.186 nan 8.300 nan 0.000 0.496 278 R N 0.496 121.066 120.500 0.116 0.000 2.740 278 R HA 0.622 4.993 4.340 0.050 0.000 0.282 278 R C -1.560 174.631 176.300 -0.181 0.000 0.969 278 R CA -0.876 55.153 56.100 -0.119 0.000 0.918 278 R CB 1.883 32.042 30.300 -0.235 0.000 1.175 278 R HN 0.425 nan 8.270 nan 0.000 0.464 279 L N 3.534 124.599 121.223 -0.264 0.000 2.325 279 L HA 0.526 4.896 4.340 0.050 0.000 0.279 279 L C -0.401 176.316 176.870 -0.256 0.000 1.054 279 L CA -0.868 53.824 54.840 -0.247 0.000 0.804 279 L CB 1.191 43.109 42.059 -0.236 0.000 1.200 279 L HN 0.360 nan 8.230 nan 0.000 0.436 280 I N 2.536 122.979 120.570 -0.213 0.000 2.466 280 I HA 0.279 4.479 4.170 0.050 0.000 0.289 280 I C -0.258 175.774 176.117 -0.142 0.000 1.026 280 I CA -0.709 60.470 61.300 -0.203 0.000 1.078 280 I CB 1.435 39.324 38.000 -0.185 0.000 1.249 280 I HN 0.631 nan 8.210 nan 0.000 0.429 281 N N 4.896 123.525 118.700 -0.119 0.000 2.476 281 N HA 0.387 5.157 4.740 0.050 0.000 0.287 281 N C 0.866 176.336 175.510 -0.066 0.000 1.262 281 N CA -0.254 52.745 53.050 -0.084 0.000 0.980 281 N CB 0.539 38.984 38.487 -0.069 0.000 1.163 281 N HN 0.529 nan 8.380 nan 0.000 0.592 282 A N -0.389 122.401 122.820 -0.050 0.000 1.933 282 A HA -0.128 4.222 4.320 0.050 0.000 0.218 282 A C 1.649 179.212 177.584 -0.034 0.000 1.175 282 A CA 1.462 53.475 52.037 -0.040 0.000 0.628 282 A CB -0.895 18.087 19.000 -0.029 0.000 0.814 282 A HN 0.785 nan 8.150 nan 0.000 0.444 283 E N -1.423 118.758 120.200 -0.032 0.000 2.478 283 E HA 0.245 4.625 4.350 0.050 0.000 0.198 283 E C 1.258 177.847 176.600 -0.018 0.000 1.046 283 E CA 0.807 57.193 56.400 -0.023 0.000 0.870 283 E CB -0.155 29.533 29.700 -0.021 0.000 0.818 283 E HN 0.781 nan 8.360 nan 0.000 0.527 284 G N 1.111 109.898 108.800 -0.023 0.000 2.157 284 G HA2 -0.354 3.636 3.960 0.050 0.000 0.239 284 G HA3 -0.354 3.636 3.960 0.050 0.000 0.239 284 G C 0.248 175.166 174.900 0.029 0.000 0.982 284 G CA 0.192 45.297 45.100 0.008 0.000 0.650 284 G HN 0.273 nan 8.290 nan 0.000 0.527 285 K N 0.851 121.232 120.400 -0.032 0.000 2.368 285 K HA 0.619 4.969 4.320 0.050 0.000 0.282 285 K C 0.577 177.048 176.600 -0.215 0.000 1.035 285 K CA 0.291 56.534 56.287 -0.074 0.000 0.973 285 K CB 0.465 32.919 32.500 -0.077 0.000 0.957 285 K HN 0.631 nan 8.250 nan 0.000 0.474 286 A N 3.527 126.107 122.820 -0.399 0.000 2.292 286 A HA 0.409 4.759 4.320 0.050 0.000 0.319 286 A C -0.773 176.490 177.584 -0.535 0.000 1.206 286 A CA -0.570 51.062 52.037 -0.675 0.000 0.835 286 A CB 1.183 19.328 19.000 -1.425 0.000 1.164 286 A HN 0.728 nan 8.150 nan 0.000 0.505 287 T N 2.428 116.712 114.554 -0.450 0.000 2.829 287 T HA 0.541 4.921 4.350 0.050 0.000 0.280 287 T C -0.569 173.909 174.700 -0.370 0.000 0.999 287 T CA -0.071 61.810 62.100 -0.366 0.000 0.983 287 T CB 0.429 69.178 68.868 -0.199 0.000 0.968 287 T HN 0.337 nan 8.240 nan 0.000 0.446 288 F N 2.092 121.946 119.950 -0.160 0.000 2.471 288 F HA 0.506 5.063 4.527 0.049 0.000 0.353 288 F C 0.562 176.244 175.800 -0.197 0.000 1.113 288 F CA -0.412 57.491 58.000 -0.161 0.000 1.262 288 F CB 0.640 39.571 39.000 -0.115 0.000 1.146 288 F HN 0.181 nan 8.300 nan 0.000 0.578 289 V N 4.807 124.682 119.914 -0.065 0.000 2.888 289 V HA 0.601 4.751 4.120 0.050 0.000 0.309 289 V C -0.981 174.890 176.094 -0.372 0.000 1.114 289 V CA -0.756 61.344 62.300 -0.333 0.000 0.940 289 V CB 2.089 33.474 31.823 -0.731 0.000 1.021 289 V HN 0.775 nan 8.190 nan 0.000 0.426 290 R N 4.572 124.897 120.500 -0.291 0.000 2.637 290 R HA 0.584 4.954 4.340 0.050 0.000 0.291 290 R C -1.615 174.570 176.300 -0.192 0.000 0.963 290 R CA -0.463 55.497 56.100 -0.233 0.000 0.901 290 R CB 2.127 32.417 30.300 -0.017 0.000 1.160 290 R HN 0.599 nan 8.270 nan 0.000 0.457 291 F N 1.743 121.709 119.950 0.026 0.000 2.397 291 F HA 0.392 4.948 4.527 0.048 0.000 0.331 291 F C 0.918 176.626 175.800 -0.154 0.000 1.090 291 F CA -0.154 57.832 58.000 -0.024 0.000 1.065 291 F CB 0.978 39.855 39.000 -0.205 0.000 1.184 291 F HN 0.197 nan 8.300 nan 0.000 0.499 292 H N 0.611 119.680 119.070 -0.002 0.000 2.851 292 H HA 0.244 4.831 4.556 0.052 0.000 0.372 292 H C -1.615 173.489 175.328 -0.373 0.000 1.158 292 H CA -1.035 54.905 56.048 -0.179 0.000 1.159 292 H CB 1.999 31.737 29.762 -0.040 0.000 1.757 292 H HN 0.674 nan 8.280 nan 0.000 0.546 293 W N 2.308 123.495 121.300 -0.188 0.000 2.600 293 W HA 0.316 5.004 4.660 0.046 0.000 0.325 293 W C -0.119 176.427 176.519 0.046 0.000 1.034 293 W CA -0.794 56.499 57.345 -0.087 0.000 1.226 293 W CB 1.829 31.061 29.460 -0.379 0.000 1.379 293 W HN 0.296 nan 8.180 nan 0.000 0.466 294 K N 5.763 126.429 120.400 0.443 0.000 2.265 294 K HA 0.389 4.739 4.320 0.050 0.000 0.267 294 K C -2.432 174.387 176.600 0.365 0.000 0.994 294 K CA -1.882 54.600 56.287 0.324 0.000 0.860 294 K CB 1.384 34.022 32.500 0.230 0.000 1.099 294 K HN 0.036 nan 8.250 nan 0.000 0.448 295 P HA 0.047 nan 4.420 nan 0.000 0.276 295 P C 0.335 177.636 177.300 0.002 0.000 1.253 295 P CA -0.102 63.057 63.100 0.099 0.000 0.766 295 P CB 0.811 32.579 31.700 0.114 0.000 0.845 296 L N 2.671 123.841 121.223 -0.088 0.000 2.376 296 L HA -0.052 4.318 4.340 0.050 0.000 0.219 296 L C 2.173 179.019 176.870 -0.040 0.000 1.133 296 L CA 0.994 55.820 54.840 -0.023 0.000 0.816 296 L CB -0.563 41.491 42.059 -0.008 0.000 0.933 296 L HN 0.345 nan 8.230 nan 0.000 0.449 297 A N 0.142 122.908 122.820 -0.089 0.000 2.235 297 A HA 0.380 4.730 4.320 0.050 0.000 0.208 297 A C 1.298 178.875 177.584 -0.012 0.000 1.172 297 A CA 0.692 52.696 52.037 -0.055 0.000 0.786 297 A CB -0.535 18.415 19.000 -0.083 0.000 0.804 297 A HN 0.460 nan 8.150 nan 0.000 0.479 298 G N -0.581 108.226 108.800 0.011 0.000 2.795 298 G HA2 -0.163 3.827 3.960 0.050 0.000 0.664 298 G HA3 -0.163 3.827 3.960 0.050 0.000 0.664 298 G C -0.594 174.331 174.900 0.042 0.000 1.381 298 G CA -0.336 44.791 45.100 0.044 0.000 0.853 298 G HN 0.511 nan 8.290 nan 0.000 0.545 299 K N 0.197 120.627 120.400 0.051 0.000 2.183 299 K HA 0.709 5.059 4.320 0.050 0.000 0.274 299 K C 0.218 176.807 176.600 -0.018 0.000 1.009 299 K CA 0.217 56.516 56.287 0.019 0.000 0.888 299 K CB 1.768 34.265 32.500 -0.006 0.000 1.078 299 K HN 1.408 nan 8.250 nan 0.000 0.459 300 A N 1.803 124.600 122.820 -0.039 0.000 2.547 300 A HA 0.618 4.968 4.320 0.050 0.000 0.297 300 A C -1.114 176.506 177.584 0.061 0.000 1.056 300 A CA -0.680 51.288 52.037 -0.114 0.000 0.688 300 A CB 1.761 20.493 19.000 -0.448 0.000 1.282 300 A HN 0.509 nan 8.150 nan 0.000 0.400 301 S N 0.500 116.389 115.700 0.316 0.000 2.632 301 S HA 0.735 5.235 4.470 0.050 0.000 0.289 301 S C -0.097 174.815 174.600 0.520 0.000 1.115 301 S CA -0.605 57.828 58.200 0.389 0.000 0.889 301 S CB 1.190 64.610 63.200 0.367 0.000 1.116 301 S HN 0.651 nan 8.310 nan 0.000 0.486 302 L N 1.424 122.848 121.223 0.335 0.000 2.470 302 L HA 0.469 4.839 4.340 0.050 0.000 0.243 302 L C 0.213 177.207 176.870 0.206 0.000 1.227 302 L CA -0.718 54.246 54.840 0.208 0.000 0.824 302 L CB 0.083 42.170 42.059 0.047 0.000 1.175 302 L HN 0.488 nan 8.230 nan 0.000 0.503 303 V N -2.803 117.130 119.914 0.031 0.000 2.834 303 V HA 0.158 4.308 4.120 0.050 0.000 0.313 303 V C 0.722 176.758 176.094 -0.095 0.000 1.060 303 V CA -0.745 61.536 62.300 -0.032 0.000 0.989 303 V CB 1.527 33.298 31.823 -0.086 0.000 1.041 303 V HN 0.941 nan 8.190 nan 0.000 0.459 304 W N 1.787 122.950 121.300 -0.228 0.000 2.335 304 W HA -0.215 4.475 4.660 0.049 0.000 0.311 304 W C 1.815 178.173 176.519 -0.269 0.000 1.213 304 W CA 2.502 59.706 57.345 -0.234 0.000 1.274 304 W CB -0.123 29.181 29.460 -0.260 0.000 1.148 304 W HN 1.005 nan 8.180 nan 0.000 0.498 305 D N 0.257 120.379 120.400 -0.464 0.000 2.123 305 D HA -0.303 4.367 4.640 0.050 0.000 0.196 305 D C 2.147 178.084 176.300 -0.606 0.000 0.992 305 D CA 2.252 55.948 54.000 -0.507 0.000 0.833 305 D CB -0.500 40.253 40.800 -0.078 0.000 0.954 305 D HN 0.382 nan 8.370 nan 0.000 0.455 306 E N -0.423 119.301 120.200 -0.794 0.000 2.047 306 E HA -0.184 4.196 4.350 0.050 0.000 0.191 306 E C 2.046 178.296 176.600 -0.584 0.000 0.987 306 E CA 0.982 56.852 56.400 -0.884 0.000 0.799 306 E CB -0.230 28.825 29.700 -1.075 0.000 0.752 306 E HN 0.305 nan 8.360 nan 0.000 0.449 307 A N 1.337 123.834 122.820 -0.539 0.000 1.883 307 A HA -0.283 4.068 4.320 0.050 0.000 0.217 307 A C 2.207 179.446 177.584 -0.576 0.000 1.186 307 A CA 1.924 53.685 52.037 -0.460 0.000 0.624 307 A CB -0.798 18.033 19.000 -0.281 0.000 0.822 307 A HN 0.459 nan 8.150 nan 0.000 0.444 308 Q N -0.558 118.686 119.800 -0.925 0.000 2.050 308 Q HA -0.209 4.162 4.340 0.050 0.000 0.202 308 Q C 2.201 177.922 176.000 -0.465 0.000 0.980 308 Q CA 1.910 57.209 55.803 -0.840 0.000 0.840 308 Q CB -0.166 27.805 28.738 -1.278 0.000 0.898 308 Q HN 0.670 nan 8.270 nan 0.000 0.424 309 K N 0.002 120.151 120.400 -0.418 0.000 2.097 309 K HA -0.170 4.180 4.320 0.050 0.000 0.206 309 K C 2.066 178.521 176.600 -0.241 0.000 1.049 309 K CA 0.921 57.054 56.287 -0.257 0.000 0.933 309 K CB -0.083 32.307 32.500 -0.183 0.000 0.717 309 K HN 0.181 nan 8.250 nan 0.000 0.442 310 L N 1.285 122.320 121.223 -0.313 0.000 2.201 310 L HA -0.124 4.246 4.340 0.050 0.000 0.212 310 L C 2.192 178.923 176.870 -0.232 0.000 1.105 310 L CA 2.126 56.778 54.840 -0.314 0.000 0.775 310 L CB -0.906 40.870 42.059 -0.472 0.000 0.913 310 L HN 0.332 nan 8.230 nan 0.000 0.440 311 T N -4.251 110.170 114.554 -0.222 0.000 2.849 311 T HA -0.083 4.297 4.350 0.050 0.000 0.270 311 T C 1.829 176.465 174.700 -0.106 0.000 1.066 311 T CA 1.071 63.084 62.100 -0.145 0.000 1.130 311 T CB -0.943 67.850 68.868 -0.124 0.000 0.864 311 T HN 0.382 nan 8.240 nan 0.000 0.481 312 G N 1.003 109.733 108.800 -0.117 0.000 2.437 312 G HA2 0.022 4.013 3.960 0.050 0.000 0.212 312 G HA3 0.022 4.013 3.960 0.050 0.000 0.212 312 G C 1.884 176.741 174.900 -0.072 0.000 1.174 312 G CA -0.294 44.756 45.100 -0.083 0.000 0.811 312 G HN 0.285 nan 8.290 nan 0.000 0.537 313 R N 0.394 120.841 120.500 -0.088 0.000 2.092 313 R HA 0.016 4.387 4.340 0.050 0.000 0.231 313 R C -0.084 176.191 176.300 -0.042 0.000 1.119 313 R CA 0.927 56.988 56.100 -0.065 0.000 0.970 313 R CB -0.284 29.968 30.300 -0.081 0.000 0.864 313 R HN 0.344 nan 8.270 nan 0.000 0.440 314 D N -0.607 119.762 120.400 -0.051 0.000 2.527 314 D HA 0.135 4.805 4.640 0.050 0.000 0.242 314 D C -2.104 174.199 176.300 0.006 0.000 1.285 314 D CA -1.744 52.261 54.000 0.007 0.000 0.886 314 D CB 1.230 42.085 40.800 0.091 0.000 1.402 314 D HN -0.118 nan 8.370 nan 0.000 0.528 315 P HA -0.007 nan 4.420 nan 0.000 0.231 315 P C 0.017 177.325 177.300 0.014 0.000 1.158 315 P CA 0.612 63.703 63.100 -0.016 0.000 0.763 315 P CB 0.501 32.188 31.700 -0.022 0.000 0.805 316 D N -1.356 119.064 120.400 0.034 0.000 2.427 316 D HA 0.074 4.744 4.640 0.050 0.000 0.224 316 D C 1.185 177.529 176.300 0.072 0.000 1.157 316 D CA -0.443 53.582 54.000 0.042 0.000 0.828 316 D CB -0.561 40.241 40.800 0.003 0.000 0.974 316 D HN 0.137 nan 8.370 nan 0.000 0.498 317 F N 1.197 121.093 119.950 -0.089 0.000 2.095 317 F HA -0.221 4.335 4.527 0.049 0.000 0.298 317 F C 2.060 177.842 175.800 -0.031 0.000 1.104 317 F CA 1.838 59.782 58.000 -0.093 0.000 1.232 317 F CB 0.067 38.954 39.000 -0.189 0.000 0.987 317 F HN 0.100 nan 8.300 nan 0.000 0.475 318 H N -1.108 117.886 119.070 -0.127 0.000 2.395 318 H HA -0.080 4.506 4.556 0.049 0.000 0.299 318 H C 2.371 177.603 175.328 -0.161 0.000 1.070 318 H CA 0.874 56.703 56.048 -0.365 0.000 1.356 318 H CB -0.105 29.294 29.762 -0.605 0.000 1.401 318 H HN 0.188 nan 8.280 nan 0.000 0.524 319 R N 1.282 121.882 120.500 0.167 0.000 2.073 319 R HA -0.134 4.237 4.340 0.050 0.000 0.234 319 R C 2.433 178.840 176.300 0.178 0.000 1.134 319 R CA 1.327 57.575 56.100 0.247 0.000 0.952 319 R CB -0.039 30.393 30.300 0.219 0.000 0.850 319 R HN 0.193 nan 8.270 nan 0.000 0.433 320 R N 0.309 120.838 120.500 0.048 0.000 2.073 320 R HA -0.147 4.223 4.340 0.050 0.000 0.234 320 R C 2.197 178.499 176.300 0.004 0.000 1.134 320 R CA 1.712 57.822 56.100 0.018 0.000 0.952 320 R CB -0.222 30.049 30.300 -0.048 0.000 0.850 320 R HN 0.280 nan 8.270 nan 0.000 0.433 321 E N 0.653 120.745 120.200 -0.180 0.000 2.106 321 E HA -0.192 4.189 4.350 0.050 0.000 0.192 321 E C 2.003 178.574 176.600 -0.049 0.000 0.984 321 E CA 0.931 57.197 56.400 -0.224 0.000 0.806 321 E CB -0.041 29.334 29.700 -0.542 0.000 0.750 321 E HN 0.260 nan 8.360 nan 0.000 0.458 322 L N 0.876 122.113 121.223 0.024 0.000 2.017 322 L HA -0.147 4.223 4.340 0.050 0.000 0.208 322 L C 2.261 179.236 176.870 0.175 0.000 1.073 322 L CA 1.844 56.751 54.840 0.110 0.000 0.745 322 L CB -0.937 41.249 42.059 0.212 0.000 0.894 322 L HN 0.306 nan 8.230 nan 0.000 0.432 323 W N 0.887 122.226 121.300 0.063 0.000 2.355 323 W HA -0.210 4.479 4.660 0.048 0.000 0.309 323 W C 2.226 178.777 176.519 0.054 0.000 1.206 323 W CA 2.164 59.557 57.345 0.081 0.000 1.284 323 W CB -0.141 29.370 29.460 0.084 0.000 1.145 323 W HN 0.352 nan 8.180 nan 0.000 0.502 324 E N -0.081 120.300 120.200 0.301 0.000 2.150 324 E HA -0.130 4.250 4.350 0.050 0.000 0.193 324 E C 2.357 178.995 176.600 0.063 0.000 0.985 324 E CA 1.047 57.548 56.400 0.169 0.000 0.814 324 E CB -0.312 29.440 29.700 0.087 0.000 0.752 324 E HN 0.184 nan 8.360 nan 0.000 0.466 325 A N 1.275 124.129 122.820 0.056 0.000 1.877 325 A HA -0.178 4.172 4.320 0.050 0.000 0.216 325 A C 2.149 179.769 177.584 0.061 0.000 1.186 325 A CA 1.060 53.124 52.037 0.044 0.000 0.620 325 A CB -0.532 18.493 19.000 0.041 0.000 0.822 325 A HN 0.139 nan 8.150 nan 0.000 0.443 326 I N -0.454 120.168 120.570 0.088 0.000 2.252 326 I HA -0.235 3.966 4.170 0.050 0.000 0.245 326 I C 2.429 178.628 176.117 0.138 0.000 1.102 326 I CA 1.398 62.802 61.300 0.173 0.000 1.385 326 I CB -0.442 37.571 38.000 0.023 0.000 1.064 326 I HN 0.435 nan 8.210 nan 0.000 0.414 327 E N 0.842 121.064 120.200 0.036 0.000 2.153 327 E HA -0.198 4.182 4.350 0.050 0.000 0.194 327 E C 2.072 178.693 176.600 0.035 0.000 0.988 327 E CA 1.255 57.688 56.400 0.055 0.000 0.811 327 E CB -0.094 29.666 29.700 0.100 0.000 0.746 327 E HN 0.504 nan 8.360 nan 0.000 0.466 328 A N 0.004 122.819 122.820 -0.008 0.000 2.218 328 A HA 0.251 4.601 4.320 0.050 0.000 0.209 328 A C 1.730 179.249 177.584 -0.109 0.000 1.168 328 A CA 0.853 52.859 52.037 -0.052 0.000 0.804 328 A CB -0.046 18.897 19.000 -0.096 0.000 0.834 328 A HN 0.325 nan 8.150 nan 0.000 0.482 329 G N -0.386 108.277 108.800 -0.229 0.000 2.157 329 G HA2 -0.202 3.788 3.960 0.050 0.000 0.248 329 G HA3 -0.202 3.788 3.960 0.050 0.000 0.248 329 G C -0.205 174.211 174.900 -0.807 0.000 0.979 329 G CA 0.243 44.898 45.100 -0.741 0.000 0.650 329 G HN 0.441 nan 8.290 nan 0.000 0.529 330 D N 0.914 121.110 120.400 -0.341 0.000 2.845 330 D HA 0.277 4.947 4.640 0.050 0.000 0.235 330 D C 0.730 176.990 176.300 -0.066 0.000 1.158 330 D CA -0.147 53.751 54.000 -0.171 0.000 0.990 330 D CB -0.678 40.119 40.800 -0.004 0.000 1.094 330 D HN 0.438 nan 8.370 nan 0.000 0.486 331 F N 1.362 121.313 119.950 0.001 0.000 2.578 331 F HA 0.103 4.660 4.527 0.050 0.000 0.381 331 F C -1.362 174.407 175.800 -0.051 0.000 1.069 331 F CA -2.036 55.956 58.000 -0.013 0.000 1.231 331 F CB 0.056 39.058 39.000 0.003 0.000 1.086 331 F HN -0.112 nan 8.300 nan 0.000 0.564 332 P HA -0.027 nan 4.420 nan 0.000 0.261 332 P C -1.078 176.163 177.300 -0.099 0.000 1.183 332 P CA 0.574 63.660 63.100 -0.022 0.000 0.761 332 P CB 0.378 32.163 31.700 0.143 0.000 0.785 333 E N 2.572 122.560 120.200 -0.353 0.000 2.248 333 E HA 0.440 4.820 4.350 0.050 0.000 0.267 333 E C -1.012 175.289 176.600 -0.498 0.000 0.877 333 E CA -0.576 55.681 56.400 -0.239 0.000 0.759 333 E CB 1.446 31.106 29.700 -0.066 0.000 1.182 333 E HN 0.386 nan 8.360 nan 0.000 0.418 334 Y N 0.313 120.683 120.300 0.116 0.000 2.477 334 Y HA 0.279 4.861 4.550 0.053 0.000 0.347 334 Y C -0.166 175.963 175.900 0.381 0.000 0.981 334 Y CA -1.048 57.199 58.100 0.244 0.000 1.033 334 Y CB 1.969 40.560 38.460 0.218 0.000 1.245 334 Y HN 0.463 nan 8.280 nan 0.000 0.455 335 E N 2.364 122.883 120.200 0.532 0.000 2.174 335 E HA 0.402 4.782 4.350 0.050 0.000 0.282 335 E C -1.488 175.383 176.600 0.452 0.000 0.992 335 E CA -0.935 55.717 56.400 0.420 0.000 0.803 335 E CB 1.044 30.926 29.700 0.304 0.000 1.090 335 E HN 0.573 nan 8.360 nan 0.000 0.396 336 L N 4.127 125.531 121.223 0.302 0.000 2.380 336 L HA 0.538 4.908 4.340 0.050 0.000 0.273 336 L C -0.090 176.687 176.870 -0.155 0.000 1.138 336 L CA 0.556 55.290 54.840 -0.176 0.000 0.832 336 L CB 1.093 43.002 42.059 -0.249 0.000 1.124 336 L HN 0.577 nan 8.230 nan 0.000 0.454 337 G N 4.414 113.152 108.800 -0.103 0.000 2.620 337 G HA2 0.549 4.539 3.960 0.050 0.000 0.301 337 G HA3 0.549 4.539 3.960 0.050 0.000 0.301 337 G C -1.605 173.461 174.900 0.275 0.000 1.347 337 G CA -0.510 44.576 45.100 -0.024 0.000 0.971 337 G HN 0.461 nan 8.290 nan 0.000 0.488 338 F N 0.293 120.250 119.950 0.011 0.000 2.482 338 F HA 0.397 4.954 4.527 0.051 0.000 0.331 338 F C 0.412 176.199 175.800 -0.022 0.000 1.115 338 F CA -0.992 57.012 58.000 0.006 0.000 0.955 338 F CB 2.554 41.538 39.000 -0.026 0.000 1.136 338 F HN 0.125 nan 8.300 nan 0.000 0.452 339 Q N 4.241 124.153 119.800 0.187 0.000 2.296 339 Q HA 0.481 4.851 4.340 0.050 0.000 0.257 339 Q C -1.051 174.983 176.000 0.057 0.000 0.942 339 Q CA -0.422 55.437 55.803 0.093 0.000 0.939 339 Q CB 2.014 30.815 28.738 0.105 0.000 1.198 339 Q HN 0.537 nan 8.270 nan 0.000 0.429 340 L N 4.265 125.531 121.223 0.072 0.000 2.322 340 L HA 0.570 4.940 4.340 0.050 0.000 0.281 340 L C -0.823 176.099 176.870 0.086 0.000 1.014 340 L CA -0.794 54.076 54.840 0.051 0.000 0.815 340 L CB 1.303 43.401 42.059 0.064 0.000 1.247 340 L HN 0.517 nan 8.230 nan 0.000 0.421 341 I N 4.575 125.215 120.570 0.117 0.000 2.439 341 I HA 0.399 4.599 4.170 0.050 0.000 0.285 341 I C -2.313 173.920 176.117 0.193 0.000 1.021 341 I CA -1.743 59.673 61.300 0.195 0.000 1.091 341 I CB 1.870 40.020 38.000 0.251 0.000 1.242 341 I HN 0.291 nan 8.210 nan 0.000 0.439 342 P HA 0.036 nan 4.420 nan 0.000 0.269 342 P C 0.723 178.069 177.300 0.076 0.000 1.215 342 P CA -0.162 62.962 63.100 0.041 0.000 0.780 342 P CB 0.778 32.500 31.700 0.037 0.000 0.898 343 E N 1.393 121.537 120.200 -0.093 0.000 2.118 343 E HA -0.259 4.121 4.350 0.050 0.000 0.195 343 E C 0.721 177.388 176.600 0.112 0.000 0.992 343 E CA 1.379 57.712 56.400 -0.113 0.000 0.804 343 E CB -0.005 29.554 29.700 -0.235 0.000 0.741 343 E HN 0.398 nan 8.360 nan 0.000 0.458 344 E N 0.561 120.803 120.200 0.071 0.000 2.478 344 E HA -0.086 4.295 4.350 0.050 0.000 0.198 344 E C 0.494 177.146 176.600 0.086 0.000 1.046 344 E CA 0.731 57.183 56.400 0.087 0.000 0.870 344 E CB 0.088 29.821 29.700 0.055 0.000 0.818 344 E HN 0.241 nan 8.360 nan 0.000 0.527 345 D N 0.115 120.570 120.400 0.091 0.000 2.368 345 D HA -0.008 4.662 4.640 0.050 0.000 0.218 345 D C 1.226 177.531 176.300 0.009 0.000 1.112 345 D CA 0.058 54.079 54.000 0.034 0.000 0.834 345 D CB 0.090 40.927 40.800 0.061 0.000 0.953 345 D HN 0.298 nan 8.370 nan 0.000 0.505 346 E N -0.257 119.927 120.200 -0.028 0.000 2.118 346 E HA -0.176 4.204 4.350 0.050 0.000 0.195 346 E C 0.374 176.621 176.600 -0.588 0.000 0.992 346 E CA 1.031 57.206 56.400 -0.374 0.000 0.804 346 E CB 0.044 29.382 29.700 -0.604 0.000 0.741 346 E HN 0.249 nan 8.360 nan 0.000 0.458 347 F N -0.300 119.638 119.950 -0.019 0.000 2.750 347 F HA 0.290 4.847 4.527 0.050 0.000 0.297 347 F C 1.186 176.887 175.800 -0.166 0.000 1.138 347 F CA -0.325 57.636 58.000 -0.066 0.000 1.346 347 F CB 0.646 39.623 39.000 -0.038 0.000 0.965 347 F HN -0.188 nan 8.300 nan 0.000 0.514 348 K N 0.025 120.282 120.400 -0.238 0.000 2.444 348 K HA 0.149 4.499 4.320 0.050 0.000 0.193 348 K C -0.241 175.863 176.600 -0.826 0.000 1.024 348 K CA 0.334 56.304 56.287 -0.528 0.000 1.077 348 K CB 0.265 32.387 32.500 -0.629 0.000 0.833 348 K HN 0.168 nan 8.250 nan 0.000 0.517 349 F N 0.494 120.293 119.950 -0.252 0.000 2.572 349 F HA 0.106 4.664 4.527 0.051 0.000 0.342 349 F C 1.088 176.692 175.800 -0.327 0.000 1.064 349 F CA -1.251 56.509 58.000 -0.400 0.000 1.008 349 F CB 0.698 39.104 39.000 -0.991 0.000 1.303 349 F HN -0.054 nan 8.300 nan 0.000 0.492 350 D N -0.530 119.865 120.400 -0.008 0.000 2.325 350 D HA 0.090 4.760 4.640 0.050 0.000 0.225 350 D C -0.499 175.886 176.300 0.142 0.000 1.096 350 D CA 0.086 54.131 54.000 0.075 0.000 0.844 350 D CB -0.808 40.071 40.800 0.132 0.000 0.925 350 D HN 0.246 nan 8.370 nan 0.000 0.513 351 F N -1.786 118.252 119.950 0.146 0.000 2.611 351 F HA 0.542 5.099 4.527 0.049 0.000 0.324 351 F C -0.281 175.521 175.800 0.003 0.000 1.061 351 F CA -1.717 56.291 58.000 0.014 0.000 0.954 351 F CB 0.916 39.875 39.000 -0.070 0.000 1.301 351 F HN -0.342 nan 8.300 nan 0.000 0.482 352 D N 1.630 122.054 120.400 0.040 0.000 2.312 352 D HA 0.205 4.875 4.640 0.050 0.000 0.252 352 D C 0.997 177.256 176.300 -0.069 0.000 1.150 352 D CA -0.031 53.941 54.000 -0.046 0.000 0.870 352 D CB 1.493 42.275 40.800 -0.030 0.000 1.153 352 D HN 0.738 nan 8.370 nan 0.000 0.457 353 L N 3.447 124.567 121.223 -0.172 0.000 2.265 353 L HA -0.122 4.248 4.340 0.050 0.000 0.215 353 L C 1.907 178.653 176.870 -0.208 0.000 1.117 353 L CA 0.671 55.383 54.840 -0.213 0.000 0.782 353 L CB -0.077 41.709 42.059 -0.455 0.000 0.914 353 L HN 0.439 nan 8.230 nan 0.000 0.441 354 L N -0.981 120.144 121.223 -0.164 0.000 2.591 354 L HA 0.080 4.450 4.340 0.050 0.000 0.228 354 L C 0.351 177.159 176.870 -0.103 0.000 1.133 354 L CA -0.121 54.689 54.840 -0.051 0.000 0.880 354 L CB -0.254 41.879 42.059 0.124 0.000 1.033 354 L HN 0.086 nan 8.230 nan 0.000 0.450 355 D N 1.809 121.922 120.400 -0.480 0.000 2.359 355 D HA 0.146 4.817 4.640 0.050 0.000 0.230 355 D C -1.719 174.359 176.300 -0.371 0.000 1.118 355 D CA -2.336 51.112 54.000 -0.919 0.000 0.844 355 D CB 1.692 41.653 40.800 -1.399 0.000 1.059 355 D HN -0.089 nan 8.370 nan 0.000 0.493 356 P HA 0.002 nan 4.420 nan 0.000 0.253 356 P C 0.748 177.960 177.300 -0.147 0.000 1.260 356 P CA 0.363 63.399 63.100 -0.106 0.000 0.800 356 P CB -0.027 31.700 31.700 0.045 0.000 1.162 357 T N -4.146 110.309 114.554 -0.164 0.000 3.107 357 T HA 0.148 4.528 4.350 0.050 0.000 0.249 357 T C 0.742 175.360 174.700 -0.137 0.000 1.096 357 T CA -0.059 61.955 62.100 -0.143 0.000 1.012 357 T CB -0.192 68.632 68.868 -0.072 0.000 0.977 357 T HN -0.149 nan 8.240 nan 0.000 0.527 358 K N 2.178 122.401 120.400 -0.296 0.000 2.182 358 K HA 0.561 4.911 4.320 0.050 0.000 0.262 358 K C -0.231 176.194 176.600 -0.291 0.000 0.957 358 K CA -0.874 55.106 56.287 -0.511 0.000 0.842 358 K CB 2.048 34.115 32.500 -0.722 0.000 1.099 358 K HN 0.317 nan 8.250 nan 0.000 0.438 359 L N -0.217 120.979 121.223 -0.045 0.000 2.387 359 L HA 0.641 5.011 4.340 0.050 0.000 0.266 359 L C -0.011 176.685 176.870 -0.289 0.000 1.059 359 L CA -0.442 54.317 54.840 -0.134 0.000 0.801 359 L CB 0.310 42.361 42.059 -0.013 0.000 1.223 359 L HN 0.440 nan 8.230 nan 0.000 0.456 360 I N 1.560 122.045 120.570 -0.141 0.000 2.307 360 I HA 0.373 4.573 4.170 0.050 0.000 0.289 360 I C -2.127 173.995 176.117 0.008 0.000 1.021 360 I CA -1.709 59.548 61.300 -0.071 0.000 1.224 360 I CB 1.201 39.178 38.000 -0.038 0.000 1.376 360 I HN 0.462 nan 8.210 nan 0.000 0.470 361 P HA 0.077 nan 4.420 nan 0.000 0.268 361 P C 0.267 177.619 177.300 0.086 0.000 1.204 361 P CA -0.052 63.081 63.100 0.055 0.000 0.768 361 P CB 0.658 32.380 31.700 0.037 0.000 0.842 362 E N 1.615 121.877 120.200 0.103 0.000 2.204 362 E HA -0.185 4.195 4.350 0.050 0.000 0.194 362 E C 1.379 178.024 176.600 0.075 0.000 0.989 362 E CA 0.768 57.217 56.400 0.081 0.000 0.824 362 E CB 0.000 29.748 29.700 0.079 0.000 0.756 362 E HN 0.507 nan 8.360 nan 0.000 0.477 363 E N 0.561 120.808 120.200 0.078 0.000 2.153 363 E HA -0.151 4.229 4.350 0.050 0.000 0.194 363 E C 2.118 178.775 176.600 0.096 0.000 0.988 363 E CA 0.771 57.216 56.400 0.075 0.000 0.811 363 E CB 0.011 29.750 29.700 0.064 0.000 0.746 363 E HN 0.363 nan 8.360 nan 0.000 0.466 364 L N -0.290 121.008 121.223 0.125 0.000 2.127 364 L HA 0.013 4.383 4.340 0.050 0.000 0.203 364 L C 0.726 177.704 176.870 0.180 0.000 1.080 364 L CA 0.540 55.492 54.840 0.187 0.000 0.768 364 L CB 0.278 42.498 42.059 0.269 0.000 0.924 364 L HN -0.189 nan 8.230 nan 0.000 0.444 365 V N 1.475 121.464 119.914 0.125 0.000 2.462 365 V HA 0.304 4.455 4.120 0.050 0.000 0.288 365 V C -2.303 173.831 176.094 0.065 0.000 1.020 365 V CA -1.410 60.954 62.300 0.107 0.000 0.857 365 V CB 1.680 33.553 31.823 0.084 0.000 1.013 365 V HN -0.021 nan 8.190 nan 0.000 0.431 366 P HA 0.182 nan 4.420 nan 0.000 0.272 366 P C -0.361 176.936 177.300 -0.005 0.000 1.230 366 P CA -0.040 63.077 63.100 0.027 0.000 0.788 366 P CB 1.479 33.200 31.700 0.036 0.000 0.949 367 V N 3.062 122.940 119.914 -0.060 0.000 2.408 367 V HA 0.088 4.238 4.120 0.050 0.000 0.267 367 V C 0.942 177.022 176.094 -0.024 0.000 1.047 367 V CA 0.016 62.248 62.300 -0.112 0.000 0.937 367 V CB 0.225 31.894 31.823 -0.256 0.000 0.999 367 V HN 0.562 nan 8.190 nan 0.000 0.472 368 Q N 5.755 125.564 119.800 0.015 0.000 2.288 368 Q HA 0.307 4.677 4.340 0.050 0.000 0.258 368 Q C -0.237 175.742 176.000 -0.034 0.000 0.957 368 Q CA -0.565 55.246 55.803 0.012 0.000 0.919 368 Q CB 0.640 29.399 28.738 0.034 0.000 1.185 368 Q HN 0.668 nan 8.270 nan 0.000 0.408 369 R N 2.940 123.449 120.500 0.014 0.000 2.234 369 R HA 0.195 4.566 4.340 0.050 0.000 0.324 369 R C 0.144 176.444 176.300 0.000 0.000 1.054 369 R CA -0.412 55.716 56.100 0.046 0.000 0.912 369 R CB 1.095 31.524 30.300 0.215 0.000 1.030 369 R HN 0.456 nan 8.270 nan 0.000 0.455 370 V N 1.434 121.196 119.914 -0.253 0.000 3.572 370 V HA 0.309 4.459 4.120 0.050 0.000 0.260 370 V C 0.692 176.463 176.094 -0.538 0.000 1.324 370 V CA 0.990 63.059 62.300 -0.385 0.000 1.068 370 V CB 1.063 32.403 31.823 -0.805 0.000 0.837 370 V HN 1.037 nan 8.190 nan 0.000 0.450 371 G N -0.276 108.025 108.800 -0.832 0.000 2.349 371 G HA2 0.465 4.456 3.960 0.050 0.000 0.294 371 G HA3 0.465 4.456 3.960 0.050 0.000 0.294 371 G C -1.800 172.720 174.900 -0.633 0.000 1.380 371 G CA -0.573 43.885 45.100 -1.070 0.000 0.811 371 G HN 0.009 nan 8.290 nan 0.000 0.519 372 K N -0.384 119.765 120.400 -0.418 0.000 2.427 372 K HA 0.717 5.068 4.320 0.050 0.000 0.252 372 K C -0.906 175.773 176.600 0.132 0.000 0.931 372 K CA -0.809 55.511 56.287 0.055 0.000 0.793 372 K CB 2.105 34.693 32.500 0.147 0.000 1.211 372 K HN 0.609 nan 8.250 nan 0.000 0.426 373 M N 4.602 124.405 119.600 0.339 0.000 2.364 373 M HA 0.418 4.929 4.480 0.050 0.000 0.334 373 M C -1.713 174.576 176.300 -0.018 0.000 1.107 373 M CA -0.753 54.664 55.300 0.195 0.000 0.988 373 M CB 1.679 34.408 32.600 0.215 0.000 1.673 373 M HN 0.351 nan 8.290 nan 0.000 0.441 374 V N 6.327 126.060 119.914 -0.302 0.000 2.531 374 V HA 0.421 4.571 4.120 0.050 0.000 0.301 374 V C -0.583 175.366 176.094 -0.241 0.000 1.034 374 V CA -0.714 61.421 62.300 -0.275 0.000 0.865 374 V CB 1.721 33.266 31.823 -0.464 0.000 0.995 374 V HN 0.809 nan 8.190 nan 0.000 0.424 375 L N 5.489 126.660 121.223 -0.086 0.000 2.255 375 L HA 0.473 4.843 4.340 0.050 0.000 0.289 375 L C 0.584 177.344 176.870 -0.184 0.000 1.046 375 L CA -0.286 54.501 54.840 -0.088 0.000 0.816 375 L CB 0.878 42.938 42.059 0.001 0.000 1.197 375 L HN 0.872 nan 8.230 nan 0.000 0.427 376 N N 2.531 121.028 118.700 -0.337 0.000 2.170 376 N HA 0.120 4.890 4.740 0.050 0.000 0.222 376 N C 0.008 175.313 175.510 -0.341 0.000 1.218 376 N CA -0.355 52.236 53.050 -0.764 0.000 0.889 376 N CB 0.762 38.508 38.487 -1.234 0.000 1.083 376 N HN 0.465 nan 8.380 nan 0.000 0.520 377 R N 0.316 120.731 120.500 -0.141 0.000 2.515 377 R HA 0.293 4.663 4.340 0.050 0.000 0.278 377 R C -1.255 174.995 176.300 -0.083 0.000 1.107 377 R CA -0.545 55.498 56.100 -0.096 0.000 0.945 377 R CB 1.191 31.447 30.300 -0.074 0.000 1.219 377 R HN 0.057 nan 8.270 nan 0.000 0.434 378 N N 3.247 121.775 118.700 -0.286 0.000 2.424 378 N HA 0.282 5.052 4.740 0.050 0.000 0.257 378 N C -2.284 173.163 175.510 -0.105 0.000 1.250 378 N CA -1.154 51.597 53.050 -0.499 0.000 0.946 378 N CB 0.462 37.992 38.487 -1.594 0.000 1.175 378 N HN 0.333 nan 8.380 nan 0.000 0.477 379 P HA 0.135 nan 4.420 nan 0.000 0.274 379 P C 0.106 177.591 177.300 0.308 0.000 1.256 379 P CA -0.125 63.165 63.100 0.316 0.000 0.795 379 P CB 1.020 32.950 31.700 0.383 0.000 1.038 380 D N -1.009 119.545 120.400 0.257 0.000 2.197 380 D HA -0.022 4.649 4.640 0.050 0.000 0.212 380 D C 0.442 176.917 176.300 0.292 0.000 0.963 380 D CA 1.390 55.538 54.000 0.245 0.000 0.864 380 D CB 0.186 41.071 40.800 0.142 0.000 1.009 380 D HN 0.388 nan 8.370 nan 0.000 0.479 381 N N -0.229 118.634 118.700 0.271 0.000 2.461 381 N HA 0.007 4.777 4.740 0.050 0.000 0.284 381 N C 0.065 175.780 175.510 0.341 0.000 1.049 381 N CA -0.335 52.889 53.050 0.289 0.000 0.889 381 N CB 1.567 40.191 38.487 0.228 0.000 1.365 381 N HN -0.156 nan 8.380 nan 0.000 0.499 382 F N 4.327 124.432 119.950 0.258 0.000 2.069 382 F HA -0.197 4.360 4.527 0.050 0.000 0.298 382 F C 1.693 177.632 175.800 0.231 0.000 1.113 382 F CA 1.616 59.772 58.000 0.260 0.000 1.214 382 F CB -0.124 39.003 39.000 0.212 0.000 0.978 382 F HN 0.610 nan 8.300 nan 0.000 0.474 383 F N 0.795 120.989 119.950 0.407 0.000 2.102 383 F HA -0.120 4.438 4.527 0.052 0.000 0.298 383 F C 2.253 178.114 175.800 0.102 0.000 1.105 383 F CA 1.664 59.822 58.000 0.264 0.000 1.239 383 F CB -0.844 38.284 39.000 0.213 0.000 0.991 383 F HN -0.004 nan 8.300 nan 0.000 0.474 384 A N -0.367 122.593 122.820 0.234 0.000 1.930 384 A HA -0.117 4.233 4.320 0.050 0.000 0.217 384 A C 2.062 179.578 177.584 -0.113 0.000 1.175 384 A CA 1.866 53.944 52.037 0.070 0.000 0.627 384 A CB -0.581 18.518 19.000 0.164 0.000 0.815 384 A HN 0.581 nan 8.150 nan 0.000 0.443 385 E N -1.247 118.900 120.200 -0.087 0.000 2.132 385 E HA -0.054 4.326 4.350 0.050 0.000 0.193 385 E C 1.940 178.454 176.600 -0.144 0.000 0.951 385 E CA 0.392 56.675 56.400 -0.195 0.000 0.843 385 E CB -0.124 29.506 29.700 -0.116 0.000 0.807 385 E HN 0.544 nan 8.360 nan 0.000 0.467 386 N N 1.366 119.985 118.700 -0.134 0.000 2.178 386 N HA -0.166 4.604 4.740 0.050 0.000 0.189 386 N C 1.851 177.204 175.510 -0.261 0.000 1.048 386 N CA 1.400 54.322 53.050 -0.214 0.000 0.855 386 N CB 0.028 37.986 38.487 -0.881 0.000 1.028 386 N HN -0.065 nan 8.380 nan 0.000 0.441 387 E N 0.793 120.764 120.200 -0.382 0.000 2.110 387 E HA -0.105 4.275 4.350 0.050 0.000 0.193 387 E C 1.549 177.962 176.600 -0.311 0.000 0.988 387 E CA 1.433 57.683 56.400 -0.251 0.000 0.804 387 E CB -0.148 29.415 29.700 -0.228 0.000 0.745 387 E HN 0.495 nan 8.360 nan 0.000 0.458 388 Q N -0.327 119.219 119.800 -0.424 0.000 2.403 388 Q HA 0.259 4.629 4.340 0.050 0.000 0.203 388 Q C -0.115 175.766 176.000 -0.198 0.000 0.932 388 Q CA 0.167 55.773 55.803 -0.328 0.000 0.945 388 Q CB 0.578 29.098 28.738 -0.364 0.000 1.045 388 Q HN 0.215 nan 8.270 nan 0.000 0.511 389 A N 1.078 123.809 122.820 -0.149 0.000 2.425 389 A HA 0.529 4.880 4.320 0.050 0.000 0.249 389 A C -0.215 177.263 177.584 -0.177 0.000 1.084 389 A CA 0.000 51.926 52.037 -0.186 0.000 0.781 389 A CB 0.364 19.329 19.000 -0.058 0.000 1.019 389 A HN 0.265 nan 8.150 nan 0.000 0.490 390 A N 2.069 124.728 122.820 -0.269 0.000 2.319 390 A HA 0.736 5.086 4.320 0.050 0.000 0.310 390 A C -0.816 176.647 177.584 -0.201 0.000 1.152 390 A CA -0.404 51.549 52.037 -0.141 0.000 0.783 390 A CB 0.398 19.319 19.000 -0.132 0.000 1.184 390 A HN 0.651 nan 8.150 nan 0.000 0.474 391 F N 0.672 120.632 119.950 0.016 0.000 2.507 391 F HA 0.698 5.250 4.527 0.041 0.000 0.327 391 F C 0.281 176.059 175.800 -0.036 0.000 1.068 391 F CA -0.109 57.877 58.000 -0.023 0.000 0.965 391 F CB 2.166 41.096 39.000 -0.117 0.000 1.192 391 F HN 0.770 nan 8.300 nan 0.000 0.476 392 H N 2.403 121.341 119.070 -0.220 0.000 3.129 392 H HA 0.259 4.835 4.556 0.034 0.000 0.342 392 H C -2.523 172.432 175.328 -0.622 0.000 1.092 392 H CA -1.560 54.122 56.048 -0.611 0.000 1.310 392 H CB 2.691 32.032 29.762 -0.702 0.000 1.932 392 H HN 0.184 nan 8.280 nan 0.000 0.507 393 P HA 0.017 nan 4.420 nan 0.000 0.233 393 P C 1.159 178.333 177.300 -0.210 0.000 1.167 393 P CA 1.221 63.995 63.100 -0.542 0.000 0.770 393 P CB 0.144 31.565 31.700 -0.466 0.000 0.837 394 G N -0.771 107.729 108.800 -0.500 0.000 2.559 394 G HA2 -0.174 3.816 3.960 0.050 0.000 0.216 394 G HA3 -0.174 3.816 3.960 0.050 0.000 0.216 394 G C 0.489 175.622 174.900 0.389 0.000 1.126 394 G CA 0.066 45.262 45.100 0.161 0.000 0.778 394 G HN 0.448 nan 8.290 nan 0.000 0.543 395 H N 0.671 119.867 119.070 0.210 0.000 3.092 395 H HA 0.338 4.928 4.556 0.058 0.000 0.263 395 H C 0.648 176.080 175.328 0.174 0.000 1.611 395 H CA -0.838 55.300 56.048 0.150 0.000 1.457 395 H CB -0.058 29.759 29.762 0.091 0.000 1.731 395 H HN 0.381 nan 8.280 nan 0.000 0.532 396 I N -0.432 120.267 120.570 0.216 0.000 3.205 396 I HA 0.675 4.875 4.170 0.050 0.000 0.310 396 I C -0.123 175.980 176.117 -0.023 0.000 1.089 396 I CA -1.324 60.019 61.300 0.071 0.000 1.023 396 I CB 1.738 39.666 38.000 -0.120 0.000 1.269 396 I HN 0.090 nan 8.210 nan 0.000 0.512 397 V N -2.550 117.327 119.914 -0.061 0.000 3.130 397 V HA 0.642 4.792 4.120 0.050 0.000 0.310 397 V C -2.853 173.335 176.094 0.157 0.000 1.158 397 V CA -2.497 59.834 62.300 0.051 0.000 1.029 397 V CB 0.954 32.790 31.823 0.022 0.000 1.057 397 V HN 0.634 nan 8.190 nan 0.000 0.436 398 P HA 0.355 nan 4.420 nan 0.000 0.262 398 P C 0.905 178.199 177.300 -0.009 0.000 1.182 398 P CA 1.951 65.116 63.100 0.109 0.000 0.761 398 P CB 0.576 32.317 31.700 0.067 0.000 0.795 399 G N 1.674 110.424 108.800 -0.084 0.000 2.201 399 G HA2 -0.154 3.836 3.960 0.050 0.000 0.212 399 G HA3 -0.154 3.836 3.960 0.050 0.000 0.212 399 G C -0.291 174.521 174.900 -0.148 0.000 0.994 399 G CA -0.442 44.590 45.100 -0.115 0.000 0.644 399 G HN 0.453 nan 8.290 nan 0.000 0.508 400 L N 0.026 121.172 121.223 -0.129 0.000 2.333 400 L HA 0.903 5.273 4.340 0.050 0.000 0.263 400 L C -0.657 176.155 176.870 -0.098 0.000 1.014 400 L CA -1.060 53.684 54.840 -0.160 0.000 0.820 400 L CB 2.188 44.077 42.059 -0.283 0.000 1.352 400 L HN 0.096 nan 8.230 nan 0.000 0.421 401 D N -0.427 119.900 120.400 -0.122 0.000 2.665 401 D HA 0.461 5.131 4.640 0.050 0.000 0.287 401 D C -1.276 174.946 176.300 -0.130 0.000 1.266 401 D CA -0.342 53.541 54.000 -0.195 0.000 0.830 401 D CB 2.032 42.795 40.800 -0.060 0.000 1.356 401 D HN 0.124 nan 8.370 nan 0.000 0.437 402 F N -0.177 119.902 119.950 0.215 0.000 2.364 402 F HA 0.501 5.067 4.527 0.065 0.000 0.316 402 F C 1.504 177.321 175.800 0.028 0.000 1.133 402 F CA -0.268 57.777 58.000 0.076 0.000 1.051 402 F CB 1.240 40.259 39.000 0.033 0.000 1.342 402 F HN 0.205 nan 8.300 nan 0.000 0.507 403 T N -3.192 111.453 114.554 0.152 0.000 2.742 403 T HA 0.302 4.682 4.350 0.050 0.000 0.282 403 T C -0.007 174.728 174.700 0.058 0.000 1.025 403 T CA -0.982 61.195 62.100 0.128 0.000 1.020 403 T CB 1.135 70.054 68.868 0.084 0.000 1.317 403 T HN 0.350 nan 8.240 nan 0.000 0.538 404 N N 1.232 119.973 118.700 0.067 0.000 2.434 404 N HA 0.057 4.827 4.740 0.050 0.000 0.196 404 N C 0.034 175.553 175.510 0.014 0.000 1.183 404 N CA 0.074 53.146 53.050 0.037 0.000 0.849 404 N CB -0.440 38.086 38.487 0.066 0.000 0.992 404 N HN 0.682 nan 8.380 nan 0.000 0.460 405 D N 2.177 122.566 120.400 -0.017 0.000 2.581 405 D HA -0.074 4.596 4.640 0.050 0.000 0.238 405 D C -1.450 174.841 176.300 -0.014 0.000 1.145 405 D CA -0.872 53.138 54.000 0.017 0.000 0.866 405 D CB 1.305 42.056 40.800 -0.082 0.000 1.151 405 D HN 0.151 nan 8.370 nan 0.000 0.500 406 P HA -0.060 nan 4.420 nan 0.000 0.241 406 P C 1.430 178.746 177.300 0.026 0.000 1.191 406 P CA 0.062 63.178 63.100 0.026 0.000 0.771 406 P CB 0.459 32.169 31.700 0.017 0.000 0.929 407 L N -0.330 120.925 121.223 0.053 0.000 2.145 407 L HA 0.049 4.420 4.340 0.050 0.000 0.201 407 L C 2.323 179.110 176.870 -0.139 0.000 1.075 407 L CA 1.073 55.938 54.840 0.042 0.000 0.773 407 L CB -1.415 40.752 42.059 0.179 0.000 0.936 407 L HN -0.189 nan 8.230 nan 0.000 0.451 408 L N -0.378 120.591 121.223 -0.424 0.000 2.012 408 L HA -0.240 4.130 4.340 0.050 0.000 0.210 408 L C 2.464 179.086 176.870 -0.414 0.000 1.073 408 L CA 1.837 56.220 54.840 -0.762 0.000 0.748 408 L CB -0.941 40.407 42.059 -1.185 0.000 0.891 408 L HN 0.377 nan 8.230 nan 0.000 0.431 409 Q N -0.228 119.397 119.800 -0.291 0.000 2.112 409 Q HA -0.183 4.187 4.340 0.050 0.000 0.206 409 Q C 2.082 178.000 176.000 -0.136 0.000 0.987 409 Q CA 1.860 57.535 55.803 -0.215 0.000 0.858 409 Q CB -0.779 27.886 28.738 -0.122 0.000 0.905 409 Q HN 0.720 nan 8.270 nan 0.000 0.420 410 G N 0.421 109.171 108.800 -0.083 0.000 2.396 410 G HA2 -0.198 3.793 3.960 0.050 0.000 0.214 410 G HA3 -0.198 3.793 3.960 0.050 0.000 0.214 410 G C 1.491 176.412 174.900 0.036 0.000 1.166 410 G CA 0.229 45.328 45.100 -0.001 0.000 0.793 410 G HN 0.248 nan 8.290 nan 0.000 0.533 411 R N 0.041 120.512 120.500 -0.049 0.000 2.119 411 R HA -0.093 4.278 4.340 0.050 0.000 0.246 411 R C 2.526 178.916 176.300 0.151 0.000 1.146 411 R CA 1.323 57.457 56.100 0.057 0.000 0.962 411 R CB -0.610 29.673 30.300 -0.028 0.000 0.863 411 R HN 0.345 nan 8.270 nan 0.000 0.442 412 L N -0.556 120.650 121.223 -0.028 0.000 2.127 412 L HA -0.203 4.167 4.340 0.050 0.000 0.211 412 L C 2.331 179.345 176.870 0.241 0.000 1.089 412 L CA 1.092 55.943 54.840 0.019 0.000 0.757 412 L CB -0.482 41.429 42.059 -0.247 0.000 0.899 412 L HN 0.155 nan 8.230 nan 0.000 0.434 413 F N 0.240 120.224 119.950 0.057 0.000 2.146 413 F HA -0.209 4.297 4.527 -0.035 0.000 0.298 413 F C 2.791 178.628 175.800 0.062 0.000 1.096 413 F CA 1.627 59.654 58.000 0.045 0.000 1.275 413 F CB -0.208 38.798 39.000 0.010 0.000 1.008 413 F HN -0.030 nan 8.300 nan 0.000 0.480 414 S N -0.864 114.866 115.700 0.050 0.000 2.371 414 S HA -0.193 4.307 4.470 0.050 0.000 0.224 414 S C 2.021 176.488 174.600 -0.221 0.000 1.029 414 S CA 1.231 59.339 58.200 -0.154 0.000 0.978 414 S CB -0.779 62.346 63.200 -0.126 0.000 0.833 414 S HN 0.520 nan 8.310 nan 0.000 0.466 415 Y N 1.462 121.772 120.300 0.017 0.000 2.439 415 Y HA 0.008 4.620 4.550 0.103 0.000 0.292 415 Y C 2.805 178.382 175.900 -0.539 0.000 1.130 415 Y CA 1.175 59.318 58.100 0.071 0.000 1.254 415 Y CB -0.436 39.033 38.460 1.681 0.000 1.000 415 Y HN 0.283 nan 8.280 nan 0.000 0.554 416 T N -0.902 113.262 114.554 -0.650 0.000 2.852 416 T HA -0.142 4.239 4.350 0.050 0.000 0.256 416 T C 1.403 175.887 174.700 -0.360 0.000 1.038 416 T CA 1.360 63.178 62.100 -0.470 0.000 1.141 416 T CB -0.334 68.322 68.868 -0.353 0.000 0.869 416 T HN 0.317 nan 8.240 nan 0.000 0.439 417 D N 0.997 121.121 120.400 -0.460 0.000 2.106 417 D HA -0.141 4.529 4.640 0.050 0.000 0.191 417 D C 2.232 178.368 176.300 -0.273 0.000 0.997 417 D CA 1.701 55.453 54.000 -0.414 0.000 0.834 417 D CB -0.486 39.869 40.800 -0.742 0.000 0.956 417 D HN 0.239 nan 8.370 nan 0.000 0.448 418 T N -1.091 113.295 114.554 -0.280 0.000 2.881 418 T HA -0.140 4.240 4.350 0.050 0.000 0.270 418 T C 1.601 176.180 174.700 -0.202 0.000 1.068 418 T CA 1.170 63.150 62.100 -0.199 0.000 1.131 418 T CB -0.230 68.518 68.868 -0.200 0.000 0.871 418 T HN 0.159 nan 8.240 nan 0.000 0.479 419 Q N 0.554 120.165 119.800 -0.315 0.000 2.291 419 Q HA 0.045 4.415 4.340 0.050 0.000 0.205 419 Q C 2.227 178.118 176.000 -0.181 0.000 0.970 419 Q CA 0.603 56.171 55.803 -0.392 0.000 0.876 419 Q CB -0.358 27.766 28.738 -1.025 0.000 0.935 419 Q HN 0.523 nan 8.270 nan 0.000 0.455 420 I N 1.045 121.557 120.570 -0.097 0.000 2.361 420 I HA -0.195 4.005 4.170 0.050 0.000 0.251 420 I C 2.245 178.372 176.117 0.016 0.000 1.133 420 I CA 1.532 62.837 61.300 0.009 0.000 1.413 420 I CB -1.227 36.782 38.000 0.015 0.000 1.073 420 I HN 0.177 nan 8.210 nan 0.000 0.424 421 S N 0.434 116.126 115.700 -0.013 0.000 2.412 421 S HA -0.059 4.442 4.470 0.050 0.000 0.223 421 S C 2.161 176.764 174.600 0.004 0.000 1.048 421 S CA 0.090 58.295 58.200 0.009 0.000 0.954 421 S CB -0.385 62.819 63.200 0.007 0.000 0.840 421 S HN 0.279 nan 8.310 nan 0.000 0.503 422 R N 0.918 121.398 120.500 -0.033 0.000 2.091 422 R HA 0.120 4.490 4.340 0.050 0.000 0.238 422 R C 1.191 177.477 176.300 -0.023 0.000 1.136 422 R CA 1.481 57.562 56.100 -0.032 0.000 0.959 422 R CB -0.241 30.017 30.300 -0.071 0.000 0.856 422 R HN 0.450 nan 8.270 nan 0.000 0.437 423 L N -0.874 120.328 121.223 -0.035 0.000 3.014 423 L HA 0.321 4.691 4.340 0.050 0.000 0.263 423 L C 0.749 177.655 176.870 0.060 0.000 1.207 423 L CA 0.261 55.097 54.840 -0.007 0.000 1.017 423 L CB 1.245 43.291 42.059 -0.023 0.000 1.360 423 L HN 0.567 nan 8.230 nan 0.000 0.560 424 G N -0.038 108.817 108.800 0.091 0.000 2.179 424 G HA2 -0.152 3.838 3.960 0.050 0.000 0.260 424 G HA3 -0.152 3.838 3.960 0.050 0.000 0.260 424 G C 0.467 175.500 174.900 0.223 0.000 0.977 424 G CA 0.080 45.291 45.100 0.184 0.000 0.641 424 G HN 0.788 nan 8.290 nan 0.000 0.533 425 G N -1.632 107.289 108.800 0.201 0.000 2.345 425 G HA2 0.592 4.583 3.960 0.050 0.000 0.285 425 G HA3 0.592 4.583 3.960 0.050 0.000 0.285 425 G C -2.354 172.706 174.900 0.267 0.000 1.297 425 G CA 0.410 45.627 45.100 0.194 0.000 0.875 425 G HN 0.456 nan 8.290 nan 0.000 0.506 426 P HA 0.155 nan 4.420 nan 0.000 0.255 426 P C 0.206 177.534 177.300 0.048 0.000 1.248 426 P CA 0.247 63.457 63.100 0.184 0.000 0.807 426 P CB 0.272 32.031 31.700 0.100 0.000 1.150 427 N N 0.592 119.334 118.700 0.071 0.000 2.378 427 N HA 0.061 4.831 4.740 0.050 0.000 0.243 427 N C 0.968 176.367 175.510 -0.185 0.000 1.137 427 N CA -0.150 52.850 53.050 -0.083 0.000 0.862 427 N CB -0.565 37.894 38.487 -0.047 0.000 1.116 427 N HN 0.269 nan 8.380 nan 0.000 0.499 428 F N 0.631 120.592 119.950 0.017 0.000 2.451 428 F HA -0.018 4.550 4.527 0.069 0.000 0.299 428 F C 2.150 177.898 175.800 -0.087 0.000 1.101 428 F CA 0.614 58.586 58.000 -0.048 0.000 1.436 428 F CB -0.673 38.313 39.000 -0.024 0.000 1.074 428 F HN 0.146 nan 8.300 nan 0.000 0.553 429 H N 0.303 118.999 119.070 -0.623 0.000 2.559 429 H HA 0.101 4.685 4.556 0.048 0.000 0.273 429 H C 0.793 175.967 175.328 -0.258 0.000 1.000 429 H CA 1.178 56.963 56.048 -0.438 0.000 1.195 429 H CB -0.756 28.617 29.762 -0.648 0.000 1.368 429 H HN 0.527 nan 8.280 nan 0.000 0.592 430 E N 0.887 120.671 120.200 -0.693 0.000 2.474 430 E HA 0.181 4.561 4.350 0.050 0.000 0.194 430 E C 0.332 176.812 176.600 -0.200 0.000 1.041 430 E CA -0.282 55.863 56.400 -0.425 0.000 0.874 430 E CB 0.576 30.029 29.700 -0.410 0.000 0.914 430 E HN 0.407 nan 8.360 nan 0.000 0.498 431 I N 2.864 123.340 120.570 -0.155 0.000 2.668 431 I HA -0.055 4.145 4.170 0.050 0.000 0.285 431 I C -1.557 174.497 176.117 -0.105 0.000 1.168 431 I CA -1.383 59.855 61.300 -0.103 0.000 1.424 431 I CB 0.626 38.579 38.000 -0.078 0.000 1.377 431 I HN -0.187 nan 8.210 nan 0.000 0.560 432 P HA -0.245 nan 4.420 nan 0.000 0.215 432 P C 1.749 178.972 177.300 -0.128 0.000 1.163 432 P CA 1.289 64.328 63.100 -0.102 0.000 0.894 432 P CB 0.163 31.808 31.700 -0.091 0.000 0.791 433 I N -0.763 119.704 120.570 -0.172 0.000 2.423 433 I HA -0.201 3.999 4.170 0.050 0.000 0.254 433 I C 1.305 177.346 176.117 -0.126 0.000 1.151 433 I CA 1.723 62.873 61.300 -0.251 0.000 1.421 433 I CB -0.631 37.100 38.000 -0.448 0.000 1.079 433 I HN -0.104 nan 8.210 nan 0.000 0.431 434 N N 0.612 119.254 118.700 -0.098 0.000 2.422 434 N HA 0.044 4.815 4.740 0.050 0.000 0.181 434 N C 0.285 175.802 175.510 0.011 0.000 1.080 434 N CA 0.202 53.222 53.050 -0.049 0.000 0.893 434 N CB -0.078 38.399 38.487 -0.017 0.000 0.973 434 N HN 0.380 nan 8.380 nan 0.000 0.456 435 R N 1.452 121.955 120.500 0.004 0.000 2.590 435 R HA 0.164 4.534 4.340 0.050 0.000 0.274 435 R C -2.223 174.141 176.300 0.107 0.000 1.061 435 R CA -1.173 54.933 56.100 0.010 0.000 1.081 435 R CB -0.065 30.225 30.300 -0.016 0.000 0.984 435 R HN 0.008 nan 8.270 nan 0.000 0.448 436 P HA -0.004 nan 4.420 nan 0.000 0.272 436 P C 0.533 177.913 177.300 0.134 0.000 1.223 436 P CA 0.008 63.191 63.100 0.139 0.000 0.784 436 P CB 0.735 32.474 31.700 0.066 0.000 0.923 437 T N -1.766 112.885 114.554 0.161 0.000 3.035 437 T HA 0.232 4.612 4.350 0.050 0.000 0.259 437 T C 0.946 175.699 174.700 0.088 0.000 1.078 437 T CA 0.070 62.217 62.100 0.079 0.000 1.132 437 T CB -0.347 68.555 68.868 0.057 0.000 0.900 437 T HN 0.445 nan 8.240 nan 0.000 0.480 438 A N 2.993 125.880 122.820 0.111 0.000 2.406 438 A HA 0.538 4.888 4.320 0.050 0.000 0.243 438 A C -2.210 175.439 177.584 0.108 0.000 1.082 438 A CA -1.323 50.776 52.037 0.104 0.000 0.786 438 A CB -0.482 18.581 19.000 0.106 0.000 1.029 438 A HN 0.262 nan 8.150 nan 0.000 0.495 439 P HA 0.268 nan 4.420 nan 0.000 0.266 439 P C -1.047 176.337 177.300 0.141 0.000 1.195 439 P CA 0.727 63.902 63.100 0.125 0.000 0.768 439 P CB 0.070 31.886 31.700 0.192 0.000 0.838 440 Y N 0.994 121.189 120.300 -0.174 0.000 2.421 440 Y HA 0.674 5.257 4.550 0.055 0.000 0.339 440 Y C -1.421 174.135 175.900 -0.574 0.000 0.996 440 Y CA -0.949 57.023 58.100 -0.214 0.000 1.046 440 Y CB 1.499 39.862 38.460 -0.163 0.000 1.226 440 Y HN 0.440 nan 8.280 nan 0.000 0.445 441 H N 3.668 122.628 119.070 -0.184 0.000 3.026 441 H HA 0.513 5.100 4.556 0.051 0.000 0.352 441 H C -1.230 173.986 175.328 -0.186 0.000 1.090 441 H CA -0.770 55.088 56.048 -0.316 0.000 1.268 441 H CB 1.658 31.278 29.762 -0.237 0.000 1.816 441 H HN 0.903 nan 8.280 nan 0.000 0.518 442 N N 0.430 119.020 118.700 -0.184 0.000 3.378 442 N HA 0.177 4.947 4.740 0.050 0.000 0.294 442 N C -1.231 174.030 175.510 -0.414 0.000 1.544 442 N CA -0.927 51.974 53.050 -0.249 0.000 0.872 442 N CB 0.576 39.075 38.487 0.020 0.000 1.670 442 N HN 0.294 nan 8.380 nan 0.000 0.551 443 F N -0.362 119.629 119.950 0.069 0.000 2.641 443 F HA 0.361 4.917 4.527 0.048 0.000 0.302 443 F C 0.532 176.373 175.800 0.068 0.000 1.098 443 F CA -0.324 57.710 58.000 0.056 0.000 1.318 443 F CB 0.147 39.173 39.000 0.044 0.000 1.035 443 F HN 0.153 nan 8.300 nan 0.000 0.551 444 Q N 1.484 121.388 119.800 0.174 0.000 2.373 444 Q HA 0.418 4.788 4.340 0.050 0.000 0.255 444 Q C 0.065 176.139 176.000 0.123 0.000 0.980 444 Q CA -0.053 55.833 55.803 0.137 0.000 0.882 444 Q CB 1.046 29.840 28.738 0.093 0.000 1.249 444 Q HN 0.094 nan 8.270 nan 0.000 0.438 445 R N 1.537 122.102 120.500 0.109 0.000 2.799 445 R HA 0.354 4.725 4.340 0.050 0.000 0.270 445 R C -0.726 175.619 176.300 0.075 0.000 1.010 445 R CA -0.624 55.532 56.100 0.093 0.000 0.916 445 R CB 1.275 31.632 30.300 0.096 0.000 1.228 445 R HN 0.732 nan 8.270 nan 0.000 0.469 446 D N -0.214 120.223 120.400 0.062 0.000 3.455 446 D HA -0.163 4.508 4.640 0.050 0.000 0.216 446 D C 0.296 176.621 176.300 0.042 0.000 1.510 446 D CA 1.910 55.936 54.000 0.044 0.000 1.128 446 D CB -1.079 39.744 40.800 0.039 0.000 0.680 446 D HN 0.908 nan 8.370 nan 0.000 0.828 447 G N -1.173 107.645 108.800 0.028 0.000 2.705 447 G HA2 0.205 4.195 3.960 0.050 0.000 0.686 447 G HA3 0.205 4.195 3.960 0.050 0.000 0.686 447 G C -0.211 174.685 174.900 -0.008 0.000 1.285 447 G CA 0.100 45.215 45.100 0.024 0.000 0.800 447 G HN 0.768 nan 8.290 nan 0.000 0.611 448 M N 1.355 120.929 119.600 -0.044 0.000 2.252 448 M HA 0.447 4.957 4.480 0.050 0.000 0.321 448 M C 1.361 177.571 176.300 -0.150 0.000 1.070 448 M CA 1.479 56.662 55.300 -0.195 0.000 1.143 448 M CB -0.620 31.807 32.600 -0.289 0.000 1.498 448 M HN 1.325 nan 8.290 nan 0.000 0.445 449 H N -1.215 117.860 119.070 0.010 0.000 2.862 449 H HA -0.178 4.406 4.556 0.047 0.000 0.290 449 H C -0.465 174.855 175.328 -0.014 0.000 1.211 449 H CA 0.654 56.703 56.048 0.001 0.000 1.140 449 H CB -1.681 28.084 29.762 0.006 0.000 1.341 449 H HN 0.554 nan 8.280 nan 0.000 0.392 450 R N 1.292 121.818 120.500 0.043 0.000 2.316 450 R HA 0.169 4.539 4.340 0.050 0.000 0.314 450 R C 0.895 177.208 176.300 0.021 0.000 1.069 450 R CA -0.140 55.977 56.100 0.028 0.000 0.959 450 R CB 0.400 30.714 30.300 0.024 0.000 0.987 450 R HN 0.232 nan 8.270 nan 0.000 0.446 451 M N 2.533 122.134 119.600 0.001 0.000 2.398 451 M HA 0.232 4.742 4.480 0.050 0.000 0.261 451 M C 0.949 177.244 176.300 -0.007 0.000 1.125 451 M CA 1.015 56.311 55.300 -0.006 0.000 1.183 451 M CB -0.887 31.695 32.600 -0.029 0.000 1.322 451 M HN 0.719 nan 8.290 nan 0.000 0.467 452 G N 2.095 110.892 108.800 -0.005 0.000 2.340 452 G HA2 0.353 4.343 3.960 0.050 0.000 0.245 452 G HA3 0.353 4.343 3.960 0.050 0.000 0.245 452 G C -0.346 174.550 174.900 -0.006 0.000 1.294 452 G CA -0.319 44.775 45.100 -0.009 0.000 0.896 452 G HN 0.329 nan 8.290 nan 0.000 0.522 453 I N 2.894 123.454 120.570 -0.016 0.000 2.330 453 I HA 0.120 4.321 4.170 0.050 0.000 0.286 453 I C -0.292 175.816 176.117 -0.016 0.000 1.025 453 I CA -0.568 60.727 61.300 -0.008 0.000 1.197 453 I CB 1.050 39.046 38.000 -0.007 0.000 1.358 453 I HN 0.359 nan 8.210 nan 0.000 0.467 454 D N 4.551 124.946 120.400 -0.007 0.000 2.304 454 D HA 0.094 4.764 4.640 0.050 0.000 0.250 454 D C 1.147 177.447 176.300 0.001 0.000 1.107 454 D CA 0.186 54.178 54.000 -0.013 0.000 0.885 454 D CB 2.000 42.800 40.800 -0.001 0.000 1.192 454 D HN 0.565 nan 8.370 nan 0.000 0.436 455 T N -1.010 113.541 114.554 -0.005 0.000 3.040 455 T HA -0.046 4.334 4.350 0.050 0.000 0.250 455 T C 0.812 175.522 174.700 0.015 0.000 1.058 455 T CA -0.511 61.591 62.100 0.004 0.000 0.988 455 T CB 0.164 69.028 68.868 -0.007 0.000 0.993 455 T HN 0.119 nan 8.240 nan 0.000 0.519 456 N N 3.189 121.900 118.700 0.018 0.000 2.447 456 N HA 0.122 4.892 4.740 0.050 0.000 0.263 456 N C -1.756 173.795 175.510 0.067 0.000 1.226 456 N CA -1.587 51.488 53.050 0.041 0.000 0.906 456 N CB 1.472 39.984 38.487 0.042 0.000 1.060 456 N HN 0.034 nan 8.380 nan 0.000 0.468 457 P HA -0.014 nan 4.420 nan 0.000 0.219 457 P C -0.621 176.742 177.300 0.106 0.000 1.146 457 P CA 0.906 64.054 63.100 0.079 0.000 0.808 457 P CB 0.219 31.961 31.700 0.071 0.000 0.779 458 A N 0.663 123.535 122.820 0.087 0.000 2.306 458 A HA 0.399 4.749 4.320 0.050 0.000 0.314 458 A C 0.411 178.096 177.584 0.168 0.000 1.164 458 A CA -0.621 51.418 52.037 0.004 0.000 0.822 458 A CB -0.038 18.785 19.000 -0.295 0.000 1.130 458 A HN 0.278 nan 8.150 nan 0.000 0.496 459 N N 0.210 119.042 118.700 0.219 0.000 2.416 459 N HA 0.389 5.159 4.740 0.050 0.000 0.267 459 N C -0.926 174.742 175.510 0.264 0.000 1.294 459 N CA -0.397 52.866 53.050 0.356 0.000 0.891 459 N CB 0.330 38.982 38.487 0.275 0.000 1.238 459 N HN 0.678 nan 8.380 nan 0.000 0.508 460 Y N -1.247 118.924 120.300 -0.215 0.000 2.638 460 Y HA 0.671 5.251 4.550 0.049 0.000 0.335 460 Y C -1.513 173.793 175.900 -0.990 0.000 1.155 460 Y CA -1.392 56.414 58.100 -0.489 0.000 1.046 460 Y CB 0.965 39.296 38.460 -0.216 0.000 1.303 460 Y HN 0.083 nan 8.280 nan 0.000 0.460 461 E N 0.721 120.449 120.200 -0.788 0.000 2.356 461 E HA 0.657 5.037 4.350 0.050 0.000 0.275 461 E C -3.182 173.307 176.600 -0.185 0.000 0.904 461 E CA -2.040 53.991 56.400 -0.614 0.000 0.757 461 E CB 1.717 30.985 29.700 -0.720 0.000 1.232 461 E HN 0.553 nan 8.360 nan 0.000 0.442 462 P HA 0.269 nan 4.420 nan 0.000 0.275 462 P C -1.258 175.992 177.300 -0.083 0.000 1.228 462 P CA -0.400 62.631 63.100 -0.115 0.000 0.786 462 P CB 0.440 32.109 31.700 -0.052 0.000 0.927 463 N N -1.485 117.098 118.700 -0.195 0.000 2.284 463 N HA 0.334 5.104 4.740 0.050 0.000 0.289 463 N C 0.319 175.784 175.510 -0.075 0.000 1.179 463 N CA -0.769 52.178 53.050 -0.172 0.000 0.774 463 N CB 1.401 39.501 38.487 -0.646 0.000 1.548 463 N HN 0.179 nan 8.380 nan 0.000 0.473 464 S N 0.626 116.331 115.700 0.008 0.000 2.483 464 S HA -0.012 4.488 4.470 0.050 0.000 0.221 464 S C 1.542 176.159 174.600 0.027 0.000 1.030 464 S CA 0.125 58.332 58.200 0.012 0.000 0.925 464 S CB -0.798 62.420 63.200 0.030 0.000 0.795 464 S HN 0.710 nan 8.310 nan 0.000 0.511 465 I N -0.882 119.712 120.570 0.041 0.000 3.001 465 I HA 0.255 4.455 4.170 0.050 0.000 0.268 465 I C 1.176 177.327 176.117 0.058 0.000 1.267 465 I CA 1.020 62.356 61.300 0.059 0.000 1.472 465 I CB -0.393 37.663 38.000 0.093 0.000 1.089 465 I HN 0.143 nan 8.210 nan 0.000 0.468 466 N N 1.301 120.032 118.700 0.051 0.000 2.416 466 N HA 0.050 4.820 4.740 0.050 0.000 0.267 466 N C -0.108 175.511 175.510 0.181 0.000 1.294 466 N CA -0.078 53.044 53.050 0.120 0.000 0.891 466 N CB -0.071 38.501 38.487 0.142 0.000 1.238 466 N HN 0.164 nan 8.380 nan 0.000 0.508 467 D N 0.781 121.237 120.400 0.093 0.000 2.792 467 D HA -0.265 4.405 4.640 0.050 0.000 0.231 467 D C -0.030 176.163 176.300 -0.178 0.000 1.160 467 D CA 1.130 55.147 54.000 0.030 0.000 0.697 467 D CB -1.220 39.679 40.800 0.165 0.000 1.070 467 D HN 0.513 nan 8.370 nan 0.000 0.426 468 N N -1.831 116.794 118.700 -0.125 0.000 2.800 468 N HA -0.244 4.526 4.740 0.050 0.000 0.250 468 N C -0.790 174.635 175.510 -0.142 0.000 1.078 468 N CA 1.376 54.319 53.050 -0.178 0.000 0.804 468 N CB -1.321 37.018 38.487 -0.247 0.000 1.135 468 N HN 0.518 nan 8.380 nan 0.000 0.565 469 W N 1.113 122.467 121.300 0.090 0.000 2.303 469 W HA 0.434 5.124 4.660 0.049 0.000 0.334 469 W C -1.628 174.940 176.519 0.083 0.000 1.197 469 W CA -1.575 55.809 57.345 0.065 0.000 1.262 469 W CB 0.452 29.897 29.460 -0.026 0.000 1.153 469 W HN -0.033 nan 8.180 nan 0.000 0.596 470 P HA 0.146 nan 4.420 nan 0.000 0.271 470 P C -0.655 176.779 177.300 0.224 0.000 1.216 470 P CA 0.002 63.239 63.100 0.228 0.000 0.776 470 P CB 0.892 32.571 31.700 -0.035 0.000 0.881 471 R N 1.383 121.994 120.500 0.185 0.000 2.598 471 R HA 0.303 4.673 4.340 0.050 0.000 0.279 471 R C 0.401 176.731 176.300 0.051 0.000 0.984 471 R CA -0.824 55.255 56.100 -0.035 0.000 0.999 471 R CB 1.052 31.104 30.300 -0.415 0.000 1.114 471 R HN 0.490 nan 8.270 nan 0.000 0.493 472 E N 0.645 120.865 120.200 0.033 0.000 2.436 472 E HA -0.000 4.380 4.350 0.050 0.000 0.262 472 E C -0.538 176.084 176.600 0.036 0.000 1.063 472 E CA 0.740 57.169 56.400 0.050 0.000 0.944 472 E CB 0.604 30.323 29.700 0.031 0.000 0.950 472 E HN 0.355 nan 8.360 nan 0.000 0.444 473 T N 3.407 117.994 114.554 0.055 0.000 2.848 473 T HA 0.362 4.742 4.350 0.050 0.000 0.285 473 T C -2.394 172.329 174.700 0.038 0.000 0.995 473 T CA -1.515 60.616 62.100 0.050 0.000 0.970 473 T CB 1.565 70.475 68.868 0.070 0.000 0.976 473 T HN 0.234 nan 8.240 nan 0.000 0.441 474 P HA 0.282 nan 4.420 nan 0.000 0.272 474 P C -2.443 174.862 177.300 0.008 0.000 1.230 474 P CA -1.312 61.795 63.100 0.011 0.000 0.788 474 P CB -0.217 31.485 31.700 0.003 0.000 0.949 475 P HA 0.281 nan 4.420 nan 0.000 0.272 475 P C -0.130 177.156 177.300 -0.023 0.000 1.223 475 P CA 0.342 63.424 63.100 -0.030 0.000 0.784 475 P CB 0.779 32.438 31.700 -0.068 0.000 0.923 476 G N 1.207 109.992 108.800 -0.024 0.000 2.489 476 G HA2 0.382 4.372 3.960 0.050 0.000 0.305 476 G HA3 0.382 4.372 3.960 0.050 0.000 0.305 476 G C -2.529 172.360 174.900 -0.019 0.000 1.311 476 G CA -0.666 44.424 45.100 -0.017 0.000 0.813 476 G HN 0.209 nan 8.290 nan 0.000 0.480 477 P HA 0.109 nan 4.420 nan 0.000 0.225 477 P C 0.182 177.479 177.300 -0.006 0.000 1.156 477 P CA 1.043 64.135 63.100 -0.014 0.000 0.787 477 P CB 0.559 32.253 31.700 -0.010 0.000 0.802 478 K N -0.822 119.581 120.400 0.005 0.000 2.557 478 K HA 0.297 4.647 4.320 0.050 0.000 0.261 478 K C -0.213 176.404 176.600 0.028 0.000 0.932 478 K CA -0.694 55.604 56.287 0.018 0.000 0.829 478 K CB 1.179 33.691 32.500 0.019 0.000 1.358 478 K HN -0.393 nan 8.250 nan 0.000 0.430 479 R N -0.012 120.512 120.500 0.041 0.000 3.758 479 R HA -0.145 4.225 4.340 0.050 0.000 0.299 479 R C -0.084 176.247 176.300 0.052 0.000 1.182 479 R CA 1.097 57.228 56.100 0.052 0.000 0.809 479 R CB -2.362 27.968 30.300 0.051 0.000 1.249 479 R HN 0.856 nan 8.270 nan 0.000 0.497 480 G N -0.848 107.977 108.800 0.042 0.000 2.522 480 G HA2 0.618 4.608 3.960 0.050 0.000 0.304 480 G HA3 0.618 4.608 3.960 0.050 0.000 0.304 480 G C 0.365 175.299 174.900 0.056 0.000 1.210 480 G CA 0.078 45.200 45.100 0.037 0.000 0.960 480 G HN 0.255 nan 8.290 nan 0.000 0.497 481 G N -1.407 107.426 108.800 0.055 0.000 2.572 481 G HA2 0.426 4.417 3.960 0.050 0.000 0.261 481 G HA3 0.426 4.417 3.960 0.050 0.000 0.261 481 G C -0.817 174.132 174.900 0.081 0.000 1.197 481 G CA -0.587 44.568 45.100 0.091 0.000 0.870 481 G HN 0.440 nan 8.290 nan 0.000 0.548 482 F N 0.309 120.275 119.950 0.027 0.000 2.467 482 F HA 0.421 4.981 4.527 0.056 0.000 0.362 482 F C 0.485 176.300 175.800 0.025 0.000 1.090 482 F CA -0.312 57.699 58.000 0.019 0.000 1.202 482 F CB 0.985 40.000 39.000 0.025 0.000 1.113 482 F HN 0.441 nan 8.300 nan 0.000 0.541 483 E N 4.045 123.872 120.200 -0.621 0.000 2.256 483 E HA 0.322 4.702 4.350 0.050 0.000 0.268 483 E C -1.161 175.111 176.600 -0.547 0.000 0.877 483 E CA -0.779 55.418 56.400 -0.337 0.000 0.757 483 E CB 1.539 31.127 29.700 -0.187 0.000 1.183 483 E HN 0.615 nan 8.360 nan 0.000 0.418 484 S N 2.599 118.205 115.700 -0.157 0.000 2.562 484 S HA -0.003 4.498 4.470 0.050 0.000 0.281 484 S C -0.522 174.066 174.600 -0.020 0.000 1.333 484 S CA -0.322 57.872 58.200 -0.010 0.000 1.052 484 S CB 0.117 63.438 63.200 0.201 0.000 0.884 484 S HN 0.472 nan 8.310 nan 0.000 0.506 485 Y N 2.455 122.692 120.300 -0.104 0.000 2.610 485 Y HA -0.019 4.560 4.550 0.049 0.000 0.332 485 Y C 0.966 176.849 175.900 -0.029 0.000 1.201 485 Y CA 0.190 58.240 58.100 -0.083 0.000 1.465 485 Y CB 0.220 38.628 38.460 -0.086 0.000 1.283 485 Y HN 0.603 nan 8.280 nan 0.000 0.563 486 Q N 4.873 124.276 119.800 -0.662 0.000 2.945 486 Q HA 0.012 4.382 4.340 0.050 0.000 0.323 486 Q C -0.156 175.557 176.000 -0.478 0.000 1.188 486 Q CA -0.043 55.498 55.803 -0.438 0.000 0.929 486 Q CB -0.227 28.323 28.738 -0.313 0.000 1.531 486 Q HN 0.648 nan 8.270 nan 0.000 0.444 487 E N 1.308 121.293 120.200 -0.359 0.000 2.442 487 E HA -0.042 4.338 4.350 0.050 0.000 0.262 487 E C -0.190 176.381 176.600 -0.047 0.000 1.004 487 E CA -0.265 56.067 56.400 -0.113 0.000 0.928 487 E CB 0.626 30.403 29.700 0.130 0.000 0.937 487 E HN 0.099 nan 8.360 nan 0.000 0.446 488 R N 2.897 123.392 120.500 -0.008 0.000 2.340 488 R HA 0.244 4.614 4.340 0.050 0.000 0.300 488 R C -1.472 174.852 176.300 0.039 0.000 1.069 488 R CA -0.274 55.830 56.100 0.006 0.000 0.984 488 R CB 0.984 31.295 30.300 0.019 0.000 1.003 488 R HN 0.281 nan 8.270 nan 0.000 0.459 489 V N 4.787 124.718 119.914 0.028 0.000 2.448 489 V HA 0.428 4.578 4.120 0.050 0.000 0.295 489 V C -0.550 175.559 176.094 0.024 0.000 1.025 489 V CA -0.586 61.735 62.300 0.035 0.000 0.859 489 V CB 1.633 33.474 31.823 0.030 0.000 0.988 489 V HN 0.818 nan 8.190 nan 0.000 0.431 490 E N 2.801 123.017 120.200 0.026 0.000 2.281 490 E HA 0.701 5.082 4.350 0.050 0.000 0.266 490 E C -0.158 176.449 176.600 0.012 0.000 0.893 490 E CA -0.430 55.980 56.400 0.015 0.000 0.798 490 E CB 2.371 32.080 29.700 0.016 0.000 1.245 490 E HN 0.978 nan 8.360 nan 0.000 0.410 491 G N 2.397 111.199 108.800 0.003 0.000 2.316 491 G HA2 0.147 4.137 3.960 0.050 0.000 0.296 491 G HA3 0.147 4.137 3.960 0.050 0.000 0.296 491 G C -1.489 173.407 174.900 -0.008 0.000 1.399 491 G CA -1.027 44.072 45.100 -0.003 0.000 0.833 491 G HN 0.356 nan 8.290 nan 0.000 0.565 492 N N 0.004 118.696 118.700 -0.013 0.000 2.476 492 N HA 0.444 5.214 4.740 0.050 0.000 0.275 492 N C -0.216 175.281 175.510 -0.021 0.000 1.190 492 N CA -0.559 52.482 53.050 -0.016 0.000 0.977 492 N CB 1.020 39.497 38.487 -0.017 0.000 1.200 492 N HN 0.425 nan 8.380 nan 0.000 0.515 493 K N 1.035 121.423 120.400 -0.021 0.000 2.351 493 K HA 0.186 4.536 4.320 0.050 0.000 0.287 493 K C -0.704 175.876 176.600 -0.035 0.000 1.068 493 K CA -0.159 56.112 56.287 -0.028 0.000 0.998 493 K CB -0.265 32.220 32.500 -0.026 0.000 0.968 493 K HN 0.371 nan 8.250 nan 0.000 0.464 494 V N 0.308 120.197 119.914 -0.042 0.000 2.925 494 V HA 0.472 4.622 4.120 0.050 0.000 0.311 494 V C -0.486 175.570 176.094 -0.064 0.000 1.104 494 V CA -1.333 60.937 62.300 -0.049 0.000 0.954 494 V CB 2.032 33.828 31.823 -0.046 0.000 1.022 494 V HN 0.614 nan 8.190 nan 0.000 0.427 495 R N 2.424 122.881 120.500 -0.071 0.000 2.565 495 R HA 0.581 4.951 4.340 0.050 0.000 0.286 495 R C -0.462 175.792 176.300 -0.077 0.000 1.256 495 R CA -0.101 55.945 56.100 -0.090 0.000 1.238 495 R CB 0.657 30.892 30.300 -0.110 0.000 1.153 495 R HN 0.936 nan 8.270 nan 0.000 0.553 496 E N 1.919 122.069 120.200 -0.082 0.000 2.335 496 E HA 0.216 4.596 4.350 0.050 0.000 0.280 496 E C -1.318 175.215 176.600 -0.111 0.000 0.918 496 E CA -1.002 55.352 56.400 -0.077 0.000 0.765 496 E CB 1.672 31.332 29.700 -0.066 0.000 1.218 496 E HN 0.128 nan 8.360 nan 0.000 0.425 497 R N 1.813 122.250 120.500 -0.105 0.000 2.340 497 R HA 0.216 4.586 4.340 0.050 0.000 0.300 497 R C -0.528 175.655 176.300 -0.195 0.000 1.069 497 R CA 0.063 56.058 56.100 -0.176 0.000 0.984 497 R CB 1.155 31.410 30.300 -0.075 0.000 1.003 497 R HN 0.391 nan 8.270 nan 0.000 0.459 498 S N 5.178 120.659 115.700 -0.366 0.000 2.563 498 S HA 0.050 4.550 4.470 0.050 0.000 0.294 498 S C -1.517 173.057 174.600 -0.042 0.000 1.279 498 S CA -1.084 56.987 58.200 -0.215 0.000 1.069 498 S CB 0.585 63.607 63.200 -0.296 0.000 0.828 498 S HN 0.543 nan 8.310 nan 0.000 0.497 499 P HA -0.104 nan 4.420 nan 0.000 0.219 499 P C 1.511 178.862 177.300 0.086 0.000 1.146 499 P CA 1.216 64.337 63.100 0.035 0.000 0.808 499 P CB -0.084 31.627 31.700 0.018 0.000 0.779 500 S N -2.159 113.631 115.700 0.149 0.000 2.500 500 S HA -0.108 4.392 4.470 0.050 0.000 0.239 500 S C 1.413 176.180 174.600 0.279 0.000 0.989 500 S CA 0.822 59.144 58.200 0.203 0.000 0.951 500 S CB -1.365 61.987 63.200 0.254 0.000 0.759 500 S HN -0.013 nan 8.310 nan 0.000 0.523 501 F N 2.182 122.125 119.950 -0.013 0.000 2.797 501 F HA 0.388 4.943 4.527 0.047 0.000 0.302 501 F C 1.950 177.684 175.800 -0.110 0.000 1.130 501 F CA -0.761 57.227 58.000 -0.019 0.000 1.387 501 F CB -0.489 38.531 39.000 0.034 0.000 1.107 501 F HN 0.360 nan 8.300 nan 0.000 0.577 502 G N 0.283 109.076 108.800 -0.012 0.000 3.709 502 G HA2 0.089 4.079 3.960 0.050 0.000 0.272 502 G HA3 0.089 4.079 3.960 0.050 0.000 0.272 502 G C -0.055 174.400 174.900 -0.742 0.000 1.259 502 G CA 0.075 44.994 45.100 -0.303 0.000 1.512 502 G HN 0.041 nan 8.290 nan 0.000 0.625 503 E N 0.141 119.853 120.200 -0.813 0.000 2.263 503 E HA 0.344 4.724 4.350 0.050 0.000 0.268 503 E C -0.915 175.274 176.600 -0.684 0.000 0.884 503 E CA -0.746 55.251 56.400 -0.671 0.000 0.766 503 E CB 1.569 31.124 29.700 -0.242 0.000 1.196 503 E HN 0.210 nan 8.360 nan 0.000 0.416 504 Y N 2.647 122.731 120.300 -0.359 0.000 2.471 504 Y HA 0.200 4.780 4.550 0.050 0.000 0.249 504 Y C 0.589 176.200 175.900 -0.481 0.000 1.116 504 Y CA -0.152 57.644 58.100 -0.506 0.000 1.240 504 Y CB 0.435 38.421 38.460 -0.791 0.000 1.251 504 Y HN 0.433 nan 8.280 nan 0.000 0.527 505 Y N -1.482 118.900 120.300 0.137 0.000 2.467 505 Y HA 0.088 4.669 4.550 0.052 0.000 0.259 505 Y C 2.375 178.335 175.900 0.100 0.000 1.084 505 Y CA 0.212 58.388 58.100 0.126 0.000 1.275 505 Y CB -0.292 38.248 38.460 0.134 0.000 1.208 505 Y HN 0.039 nan 8.280 nan 0.000 0.511 506 S N -0.746 115.087 115.700 0.223 0.000 2.383 506 S HA -0.181 4.319 4.470 0.050 0.000 0.227 506 S C 1.403 176.084 174.600 0.136 0.000 1.026 506 S CA 1.597 59.910 58.200 0.189 0.000 0.981 506 S CB -0.548 62.772 63.200 0.200 0.000 0.818 506 S HN 0.418 nan 8.310 nan 0.000 0.472 507 H N 2.694 121.675 119.070 -0.147 0.000 2.395 507 H HA 0.213 4.800 4.556 0.051 0.000 0.299 507 H C -0.697 174.433 175.328 -0.329 0.000 1.070 507 H CA 0.901 56.715 56.048 -0.389 0.000 1.356 507 H CB -1.687 27.600 29.762 -0.791 0.000 1.401 507 H HN 0.388 nan 8.280 nan 0.000 0.524 508 P HA -0.153 nan 4.420 nan 0.000 0.215 508 P C 1.509 178.995 177.300 0.310 0.000 1.153 508 P CA 1.649 64.900 63.100 0.251 0.000 0.853 508 P CB 0.133 32.002 31.700 0.283 0.000 0.788 509 R N -0.459 120.173 120.500 0.220 0.000 2.073 509 R HA -0.089 4.281 4.340 0.050 0.000 0.229 509 R C 2.156 178.588 176.300 0.220 0.000 1.120 509 R CA 0.946 57.183 56.100 0.228 0.000 0.967 509 R CB -1.051 29.345 30.300 0.159 0.000 0.862 509 R HN 0.048 nan 8.270 nan 0.000 0.436 510 L N 0.523 121.816 121.223 0.118 0.000 2.012 510 L HA -0.157 4.213 4.340 0.050 0.000 0.210 510 L C 1.987 178.915 176.870 0.097 0.000 1.073 510 L CA 1.803 56.676 54.840 0.055 0.000 0.748 510 L CB -0.713 41.300 42.059 -0.075 0.000 0.891 510 L HN 0.248 nan 8.230 nan 0.000 0.431 511 F N -0.749 119.226 119.950 0.043 0.000 2.102 511 F HA -0.276 4.283 4.527 0.053 0.000 0.298 511 F C 2.324 178.118 175.800 -0.010 0.000 1.105 511 F CA 2.153 60.154 58.000 0.002 0.000 1.239 511 F CB -0.676 38.360 39.000 0.060 0.000 0.991 511 F HN 0.389 nan 8.300 nan 0.000 0.474 512 W N 1.505 122.810 121.300 0.008 0.000 2.301 512 W HA -0.286 4.404 4.660 0.049 0.000 0.325 512 W C 1.828 178.233 176.519 -0.190 0.000 1.250 512 W CA 2.101 59.397 57.345 -0.082 0.000 1.261 512 W CB -0.851 28.644 29.460 0.058 0.000 1.157 512 W HN 0.089 nan 8.180 nan 0.000 0.473 513 L N 1.094 122.245 121.223 -0.120 0.000 2.362 513 L HA -0.163 4.207 4.340 0.050 0.000 0.219 513 L C 2.313 179.000 176.870 -0.305 0.000 1.134 513 L CA 1.091 55.796 54.840 -0.225 0.000 0.807 513 L CB -0.671 41.380 42.059 -0.015 0.000 0.927 513 L HN -0.103 nan 8.230 nan 0.000 0.447 514 S N -1.557 113.939 115.700 -0.339 0.000 2.558 514 S HA 0.047 4.547 4.470 0.050 0.000 0.217 514 S C 0.728 175.042 174.600 -0.477 0.000 0.975 514 S CA 0.030 58.024 58.200 -0.343 0.000 0.912 514 S CB 0.053 63.082 63.200 -0.285 0.000 0.776 514 S HN 0.301 nan 8.310 nan 0.000 0.526 515 Q N 2.401 121.810 119.800 -0.651 0.000 2.299 515 Q HA 0.239 4.609 4.340 0.050 0.000 0.246 515 Q C 0.661 176.272 176.000 -0.647 0.000 0.935 515 Q CA -0.035 55.346 55.803 -0.703 0.000 0.887 515 Q CB 0.282 28.535 28.738 -0.808 0.000 1.223 515 Q HN 0.441 nan 8.270 nan 0.000 0.439 516 T N -1.410 112.724 114.554 -0.701 0.000 2.795 516 T HA 0.116 4.496 4.350 0.050 0.000 0.314 516 T C -1.721 172.515 174.700 -0.773 0.000 1.069 516 T CA -1.198 60.433 62.100 -0.781 0.000 1.071 516 T CB 0.298 68.425 68.868 -1.236 0.000 0.988 516 T HN 0.249 nan 8.240 nan 0.000 0.543 517 P HA 0.021 nan 4.420 nan 0.000 0.218 517 P C 1.337 178.429 177.300 -0.346 0.000 1.149 517 P CA 0.871 63.749 63.100 -0.370 0.000 0.817 517 P CB -0.238 31.363 31.700 -0.166 0.000 0.785 518 F N -0.167 119.580 119.950 -0.338 0.000 2.259 518 F HA 0.073 4.630 4.527 0.050 0.000 0.298 518 F C 1.829 177.265 175.800 -0.607 0.000 1.088 518 F CA 0.760 58.490 58.000 -0.450 0.000 1.358 518 F CB -1.602 37.118 39.000 -0.468 0.000 1.040 518 F HN -0.121 nan 8.300 nan 0.000 0.505 519 E N 0.666 120.311 120.200 -0.925 0.000 2.077 519 E HA -0.225 4.155 4.350 0.050 0.000 0.193 519 E C 2.205 178.606 176.600 -0.331 0.000 0.989 519 E CA 1.526 57.607 56.400 -0.532 0.000 0.800 519 E CB -0.304 29.034 29.700 -0.603 0.000 0.746 519 E HN 0.625 nan 8.360 nan 0.000 0.452 520 Q N 0.308 119.825 119.800 -0.471 0.000 2.061 520 Q HA -0.215 4.155 4.340 0.050 0.000 0.204 520 Q C 2.278 178.300 176.000 0.036 0.000 0.984 520 Q CA 1.376 56.934 55.803 -0.409 0.000 0.846 520 Q CB -0.191 28.047 28.738 -0.834 0.000 0.902 520 Q HN 0.124 nan 8.270 nan 0.000 0.421 521 R N 0.027 120.525 120.500 -0.003 0.000 2.091 521 R HA -0.172 4.198 4.340 0.050 0.000 0.238 521 R C 1.850 178.318 176.300 0.281 0.000 1.136 521 R CA 1.706 57.894 56.100 0.146 0.000 0.959 521 R CB -0.137 30.224 30.300 0.101 0.000 0.856 521 R HN 0.474 nan 8.270 nan 0.000 0.437 522 H N -0.626 118.533 119.070 0.148 0.000 2.423 522 H HA -0.060 4.526 4.556 0.050 0.000 0.297 522 H C 2.136 177.574 175.328 0.183 0.000 1.075 522 H CA 1.196 57.346 56.048 0.169 0.000 1.342 522 H CB 0.054 29.922 29.762 0.177 0.000 1.395 522 H HN 0.227 nan 8.280 nan 0.000 0.530 523 I N 0.197 120.972 120.570 0.343 0.000 2.179 523 I HA -0.256 3.944 4.170 0.050 0.000 0.242 523 I C 2.292 178.684 176.117 0.457 0.000 1.088 523 I CA 0.781 62.317 61.300 0.393 0.000 1.357 523 I CB -0.148 38.182 38.000 0.550 0.000 1.051 523 I HN 0.083 nan 8.210 nan 0.000 0.409 524 V N 0.890 121.073 119.914 0.448 0.000 2.332 524 V HA -0.327 3.823 4.120 0.050 0.000 0.248 524 V C 2.039 178.306 176.094 0.289 0.000 1.055 524 V CA 2.097 64.615 62.300 0.362 0.000 1.038 524 V CB -0.680 31.316 31.823 0.288 0.000 0.651 524 V HN 0.425 nan 8.190 nan 0.000 0.450 525 D N 0.328 120.880 120.400 0.254 0.000 2.144 525 D HA -0.087 4.583 4.640 0.050 0.000 0.200 525 D C 2.171 178.545 176.300 0.123 0.000 0.978 525 D CA 1.527 55.643 54.000 0.192 0.000 0.833 525 D CB -0.570 40.350 40.800 0.200 0.000 0.961 525 D HN 0.476 nan 8.370 nan 0.000 0.470 526 G N 0.140 108.988 108.800 0.080 0.000 2.414 526 G HA2 -0.243 3.748 3.960 0.050 0.000 0.215 526 G HA3 -0.243 3.748 3.960 0.050 0.000 0.215 526 G C 1.467 176.369 174.900 0.003 0.000 1.188 526 G CA 0.210 45.268 45.100 -0.071 0.000 0.783 526 G HN 0.163 nan 8.290 nan 0.000 0.537 527 F N 1.866 121.862 119.950 0.077 0.000 2.091 527 F HA -0.127 4.430 4.527 0.050 0.000 0.299 527 F C 3.192 178.916 175.800 -0.127 0.000 1.103 527 F CA 1.728 59.705 58.000 -0.038 0.000 1.228 527 F CB -0.405 38.578 39.000 -0.029 0.000 0.984 527 F HN 0.088 nan 8.300 nan 0.000 0.477 528 S N -0.247 115.550 115.700 0.161 0.000 2.368 528 S HA -0.200 4.300 4.470 0.050 0.000 0.225 528 S C 1.854 176.478 174.600 0.040 0.000 1.030 528 S CA 1.211 59.452 58.200 0.068 0.000 0.999 528 S CB -0.780 62.482 63.200 0.104 0.000 0.844 528 S HN 0.383 nan 8.310 nan 0.000 0.459 529 F N 2.619 122.529 119.950 -0.066 0.000 2.102 529 F HA -0.111 4.446 4.527 0.049 0.000 0.298 529 F C 2.354 178.093 175.800 -0.100 0.000 1.105 529 F CA 1.510 59.460 58.000 -0.084 0.000 1.239 529 F CB -0.294 38.600 39.000 -0.176 0.000 0.991 529 F HN 0.135 nan 8.300 nan 0.000 0.474 530 E N 0.458 120.671 120.200 0.023 0.000 2.077 530 E HA -0.221 4.159 4.350 0.050 0.000 0.193 530 E C 2.339 178.765 176.600 -0.290 0.000 0.989 530 E CA 1.675 58.049 56.400 -0.042 0.000 0.800 530 E CB -0.502 29.308 29.700 0.185 0.000 0.746 530 E HN 0.475 nan 8.360 nan 0.000 0.452 531 L N 1.221 122.187 121.223 -0.429 0.000 2.291 531 L HA -0.097 4.273 4.340 0.050 0.000 0.214 531 L C 2.656 179.364 176.870 -0.270 0.000 1.120 531 L CA 0.895 55.447 54.840 -0.480 0.000 0.799 531 L CB -0.334 41.459 42.059 -0.443 0.000 0.925 531 L HN 0.129 nan 8.230 nan 0.000 0.446 532 S N -0.743 114.814 115.700 -0.239 0.000 2.474 532 S HA -0.096 4.404 4.470 0.050 0.000 0.235 532 S C 1.731 176.216 174.600 -0.193 0.000 0.997 532 S CA 0.565 58.648 58.200 -0.194 0.000 0.949 532 S CB -0.095 62.986 63.200 -0.199 0.000 0.766 532 S HN 0.264 nan 8.310 nan 0.000 0.517 533 K N 1.200 121.466 120.400 -0.223 0.000 2.404 533 K HA 0.338 4.688 4.320 0.050 0.000 0.194 533 K C -0.054 176.541 176.600 -0.008 0.000 1.023 533 K CA -0.014 56.200 56.287 -0.121 0.000 1.094 533 K CB 0.024 32.446 32.500 -0.130 0.000 0.841 533 K HN 0.318 nan 8.250 nan 0.000 0.523 534 V N 2.084 121.972 119.914 -0.044 0.000 2.432 534 V HA 0.010 4.160 4.120 0.050 0.000 0.271 534 V C 1.677 177.757 176.094 -0.023 0.000 1.046 534 V CA -0.090 62.211 62.300 0.002 0.000 0.945 534 V CB 1.463 33.248 31.823 -0.063 0.000 0.992 534 V HN -0.131 nan 8.190 nan 0.000 0.471 535 V N 5.062 124.983 119.914 0.011 0.000 2.488 535 V HA -0.001 4.149 4.120 0.050 0.000 0.246 535 V C 1.316 177.396 176.094 -0.023 0.000 1.046 535 V CA 1.097 63.401 62.300 0.006 0.000 1.053 535 V CB -0.434 31.410 31.823 0.035 0.000 0.679 535 V HN 0.744 nan 8.190 nan 0.000 0.458 536 R N 1.008 121.471 120.500 -0.062 0.000 2.248 536 R HA 0.166 4.536 4.340 0.050 0.000 0.337 536 R C -1.741 174.439 176.300 -0.199 0.000 1.085 536 R CA -1.290 54.742 56.100 -0.113 0.000 0.934 536 R CB 0.645 30.805 30.300 -0.232 0.000 1.034 536 R HN 0.264 nan 8.270 nan 0.000 0.465 537 P HA -0.166 nan 4.420 nan 0.000 0.221 537 P C 0.574 177.830 177.300 -0.073 0.000 1.150 537 P CA 0.951 64.015 63.100 -0.061 0.000 0.800 537 P CB 0.038 31.742 31.700 0.007 0.000 0.787 538 Y N -1.564 118.735 120.300 -0.001 0.000 2.403 538 Y HA -0.057 4.523 4.550 0.050 0.000 0.291 538 Y C 1.851 177.755 175.900 0.007 0.000 1.143 538 Y CA 0.626 58.727 58.100 0.000 0.000 1.257 538 Y CB -1.690 36.770 38.460 0.001 0.000 0.984 538 Y HN -0.107 nan 8.280 nan 0.000 0.550 539 I N 0.878 121.026 120.570 -0.702 0.000 2.286 539 I HA -0.223 3.977 4.170 0.050 0.000 0.245 539 I C 2.463 178.485 176.117 -0.157 0.000 1.104 539 I CA 1.203 62.264 61.300 -0.399 0.000 1.397 539 I CB -0.353 37.407 38.000 -0.400 0.000 1.072 539 I HN 0.183 nan 8.210 nan 0.000 0.417 540 R N 0.877 121.274 120.500 -0.171 0.000 2.091 540 R HA -0.203 4.167 4.340 0.050 0.000 0.238 540 R C 2.101 178.348 176.300 -0.089 0.000 1.136 540 R CA 1.585 57.600 56.100 -0.142 0.000 0.959 540 R CB -0.452 29.764 30.300 -0.140 0.000 0.856 540 R HN 0.453 nan 8.270 nan 0.000 0.437 541 E N 0.392 120.562 120.200 -0.049 0.000 2.077 541 E HA -0.148 4.232 4.350 0.050 0.000 0.193 541 E C 2.141 178.745 176.600 0.006 0.000 0.989 541 E CA 0.980 57.373 56.400 -0.011 0.000 0.800 541 E CB -0.010 29.709 29.700 0.031 0.000 0.746 541 E HN 0.274 nan 8.360 nan 0.000 0.452 542 R N 0.292 120.810 120.500 0.031 0.000 2.092 542 R HA -0.095 4.275 4.340 0.050 0.000 0.231 542 R C 2.390 178.713 176.300 0.037 0.000 1.119 542 R CA 1.029 57.160 56.100 0.052 0.000 0.970 542 R CB -0.241 30.111 30.300 0.086 0.000 0.864 542 R HN 0.062 nan 8.270 nan 0.000 0.440 543 V N 0.352 120.281 119.914 0.024 0.000 2.307 543 V HA -0.208 3.942 4.120 0.050 0.000 0.245 543 V C 2.325 178.395 176.094 -0.040 0.000 1.045 543 V CA 1.537 63.858 62.300 0.036 0.000 1.024 543 V CB -0.352 31.506 31.823 0.059 0.000 0.651 543 V HN 0.116 nan 8.190 nan 0.000 0.449 544 V N 0.582 120.447 119.914 -0.082 0.000 2.332 544 V HA -0.349 3.801 4.120 0.050 0.000 0.248 544 V C 2.321 178.373 176.094 -0.070 0.000 1.055 544 V CA 2.547 64.778 62.300 -0.114 0.000 1.038 544 V CB -0.733 31.030 31.823 -0.100 0.000 0.651 544 V HN 0.671 nan 8.190 nan 0.000 0.450 545 D N -0.564 119.828 120.400 -0.014 0.000 2.104 545 D HA -0.233 4.437 4.640 0.050 0.000 0.194 545 D C 2.275 178.651 176.300 0.127 0.000 0.994 545 D CA 1.646 55.672 54.000 0.042 0.000 0.830 545 D CB -0.092 40.751 40.800 0.071 0.000 0.959 545 D HN 0.530 nan 8.370 nan 0.000 0.452 546 Q N -0.461 119.390 119.800 0.085 0.000 2.084 546 Q HA -0.117 4.254 4.340 0.050 0.000 0.202 546 Q C 2.488 178.521 176.000 0.056 0.000 0.978 546 Q CA 0.862 56.728 55.803 0.104 0.000 0.844 546 Q CB -0.110 28.696 28.738 0.113 0.000 0.898 546 Q HN 0.415 nan 8.270 nan 0.000 0.426 547 L N 0.101 121.284 121.223 -0.066 0.000 2.079 547 L HA -0.191 4.179 4.340 0.050 0.000 0.210 547 L C 2.416 179.173 176.870 -0.189 0.000 1.081 547 L CA 0.908 55.629 54.840 -0.197 0.000 0.752 547 L CB -0.617 41.221 42.059 -0.369 0.000 0.896 547 L HN 0.225 nan 8.230 nan 0.000 0.433 548 A N -0.833 121.900 122.820 -0.146 0.000 2.067 548 A HA -0.199 4.151 4.320 0.050 0.000 0.219 548 A C 1.761 179.170 177.584 -0.292 0.000 1.158 548 A CA 1.206 53.119 52.037 -0.206 0.000 0.661 548 A CB -0.724 18.160 19.000 -0.193 0.000 0.801 548 A HN 0.451 nan 8.150 nan 0.000 0.452 549 H N -1.172 117.693 119.070 -0.342 0.000 2.547 549 H HA 0.220 4.807 4.556 0.051 0.000 0.272 549 H C 1.553 176.609 175.328 -0.455 0.000 0.989 549 H CA 1.175 56.876 56.048 -0.579 0.000 1.214 549 H CB 0.056 29.055 29.762 -1.271 0.000 1.389 549 H HN 0.510 nan 8.280 nan 0.000 0.577 550 I N -1.374 119.100 120.570 -0.161 0.000 3.136 550 I HA 0.102 4.302 4.170 0.050 0.000 0.262 550 I C -0.175 175.869 176.117 -0.122 0.000 1.132 550 I CA 0.325 61.595 61.300 -0.050 0.000 1.450 550 I CB 0.751 38.750 38.000 -0.002 0.000 1.315 550 I HN 0.086 nan 8.210 nan 0.000 0.460 551 D N -0.349 119.906 120.400 -0.242 0.000 2.878 551 D HA 0.153 4.823 4.640 0.050 0.000 0.211 551 D C 0.147 176.281 176.300 -0.278 0.000 1.271 551 D CA -0.387 53.451 54.000 -0.269 0.000 0.845 551 D CB 1.542 42.030 40.800 -0.520 0.000 1.679 551 D HN -0.055 nan 8.370 nan 0.000 0.536 552 L N 2.985 124.104 121.223 -0.173 0.000 2.156 552 L HA -0.027 4.343 4.340 0.050 0.000 0.208 552 L C 1.208 177.999 176.870 -0.132 0.000 1.095 552 L CA 1.706 56.456 54.840 -0.149 0.000 0.770 552 L CB -0.485 41.517 42.059 -0.096 0.000 0.914 552 L HN 0.579 nan 8.230 nan 0.000 0.439 553 T N 0.814 115.312 114.554 -0.093 0.000 2.737 553 T HA -0.185 4.195 4.350 0.050 0.000 0.265 553 T C 1.836 176.477 174.700 -0.098 0.000 1.038 553 T CA 1.521 63.609 62.100 -0.019 0.000 1.144 553 T CB -0.281 68.664 68.868 0.128 0.000 0.866 553 T HN 0.285 nan 8.240 nan 0.000 0.434 554 L N 1.768 122.773 121.223 -0.363 0.000 2.012 554 L HA 0.001 4.371 4.340 0.050 0.000 0.210 554 L C 2.584 179.237 176.870 -0.362 0.000 1.073 554 L CA 2.141 56.622 54.840 -0.598 0.000 0.748 554 L CB -1.152 40.113 42.059 -1.323 0.000 0.891 554 L HN 0.214 nan 8.230 nan 0.000 0.431 555 A N -1.085 121.534 122.820 -0.335 0.000 1.902 555 A HA -0.263 4.087 4.320 0.050 0.000 0.217 555 A C 2.213 179.699 177.584 -0.164 0.000 1.181 555 A CA 1.900 53.786 52.037 -0.253 0.000 0.623 555 A CB -0.666 18.202 19.000 -0.220 0.000 0.818 555 A HN 0.695 nan 8.150 nan 0.000 0.443 556 Q N -0.783 118.943 119.800 -0.124 0.000 2.084 556 Q HA -0.109 4.261 4.340 0.050 0.000 0.202 556 Q C 2.421 178.393 176.000 -0.047 0.000 0.978 556 Q CA 1.380 57.140 55.803 -0.071 0.000 0.844 556 Q CB -0.365 28.346 28.738 -0.045 0.000 0.898 556 Q HN 0.699 nan 8.270 nan 0.000 0.426 557 A N 0.182 122.980 122.820 -0.036 0.000 1.898 557 A HA -0.113 4.237 4.320 0.050 0.000 0.216 557 A C 2.304 179.890 177.584 0.002 0.000 1.181 557 A CA 1.163 53.207 52.037 0.011 0.000 0.620 557 A CB -0.555 18.484 19.000 0.065 0.000 0.819 557 A HN 0.201 nan 8.150 nan 0.000 0.442 558 V N -0.066 119.821 119.914 -0.045 0.000 2.307 558 V HA -0.224 3.926 4.120 0.050 0.000 0.245 558 V C 3.070 179.132 176.094 -0.053 0.000 1.045 558 V CA 1.857 64.128 62.300 -0.049 0.000 1.024 558 V CB -1.280 30.461 31.823 -0.138 0.000 0.651 558 V HN 0.599 nan 8.190 nan 0.000 0.449 559 A N -0.179 122.597 122.820 -0.072 0.000 1.908 559 A HA -0.315 4.035 4.320 0.050 0.000 0.218 559 A C 2.325 179.889 177.584 -0.032 0.000 1.181 559 A CA 2.418 54.420 52.037 -0.058 0.000 0.627 559 A CB -0.535 18.428 19.000 -0.063 0.000 0.818 559 A HN 0.541 nan 8.150 nan 0.000 0.445 560 K N -0.389 120.000 120.400 -0.018 0.000 2.057 560 K HA -0.171 4.179 4.320 0.050 0.000 0.207 560 K C 1.526 178.129 176.600 0.006 0.000 1.049 560 K CA 1.564 57.850 56.287 -0.001 0.000 0.931 560 K CB -0.180 32.326 32.500 0.010 0.000 0.714 560 K HN 0.434 nan 8.250 nan 0.000 0.440 561 N N 0.361 119.069 118.700 0.013 0.000 2.443 561 N HA -0.114 4.657 4.740 0.050 0.000 0.184 561 N C 0.822 176.333 175.510 0.003 0.000 1.037 561 N CA 0.757 53.820 53.050 0.022 0.000 0.896 561 N CB 0.102 38.615 38.487 0.043 0.000 0.959 561 N HN 0.165 nan 8.380 nan 0.000 0.442 562 L N -0.757 120.456 121.223 -0.017 0.000 2.640 562 L HA 0.298 4.668 4.340 0.050 0.000 0.230 562 L C 1.179 178.035 176.870 -0.024 0.000 1.123 562 L CA 0.202 55.023 54.840 -0.031 0.000 0.900 562 L CB -0.925 41.101 42.059 -0.056 0.000 1.146 562 L HN 0.179 nan 8.230 nan 0.000 0.484 563 G N 0.986 109.777 108.800 -0.014 0.000 2.198 563 G HA2 -0.282 3.708 3.960 0.050 0.000 0.257 563 G HA3 -0.282 3.708 3.960 0.050 0.000 0.257 563 G C 0.290 175.182 174.900 -0.014 0.000 1.042 563 G CA 0.265 45.358 45.100 -0.010 0.000 0.791 563 G HN 0.322 nan 8.290 nan 0.000 0.502 564 I N -0.105 120.452 120.570 -0.021 0.000 2.460 564 I HA 0.430 4.630 4.170 0.050 0.000 0.298 564 I C 0.245 176.348 176.117 -0.024 0.000 0.989 564 I CA -0.710 60.576 61.300 -0.024 0.000 1.173 564 I CB 1.770 39.748 38.000 -0.036 0.000 1.338 564 I HN 0.035 nan 8.210 nan 0.000 0.456 565 E N 4.819 125.006 120.200 -0.021 0.000 2.158 565 E HA 0.336 4.716 4.350 0.050 0.000 0.271 565 E C -1.153 175.430 176.600 -0.028 0.000 0.911 565 E CA -1.077 55.310 56.400 -0.022 0.000 0.767 565 E CB 1.981 31.672 29.700 -0.015 0.000 1.120 565 E HN 0.254 nan 8.360 nan 0.000 0.405 566 L N 2.923 124.124 121.223 -0.036 0.000 2.485 566 L HA 0.012 4.382 4.340 0.050 0.000 0.275 566 L C 1.138 177.986 176.870 -0.036 0.000 1.207 566 L CA 0.554 55.367 54.840 -0.044 0.000 0.855 566 L CB 0.191 42.216 42.059 -0.057 0.000 1.114 566 L HN 0.579 nan 8.230 nan 0.000 0.485 567 T N -1.335 113.198 114.554 -0.035 0.000 2.828 567 T HA 0.141 4.521 4.350 0.050 0.000 0.290 567 T C 0.914 175.592 174.700 -0.036 0.000 1.019 567 T CA -0.483 61.599 62.100 -0.030 0.000 1.031 567 T CB 0.482 69.335 68.868 -0.025 0.000 1.001 567 T HN 0.582 nan 8.240 nan 0.000 0.531 568 D N 0.335 120.717 120.400 -0.030 0.000 2.133 568 D HA -0.104 4.566 4.640 0.050 0.000 0.195 568 D C 1.572 177.847 176.300 -0.042 0.000 0.997 568 D CA 1.411 55.391 54.000 -0.033 0.000 0.840 568 D CB -0.073 40.713 40.800 -0.025 0.000 0.947 568 D HN 0.598 nan 8.370 nan 0.000 0.452 569 D N -0.052 120.324 120.400 -0.041 0.000 2.117 569 D HA -0.136 4.534 4.640 0.050 0.000 0.197 569 D C 2.042 178.292 176.300 -0.082 0.000 0.987 569 D CA 0.805 54.775 54.000 -0.051 0.000 0.829 569 D CB -0.227 40.550 40.800 -0.038 0.000 0.961 569 D HN 0.345 nan 8.370 nan 0.000 0.460 570 Q N -0.427 119.323 119.800 -0.083 0.000 2.124 570 Q HA -0.091 4.279 4.340 0.050 0.000 0.202 570 Q C 1.762 177.686 176.000 -0.126 0.000 0.977 570 Q CA 0.535 56.267 55.803 -0.119 0.000 0.850 570 Q CB 0.046 28.727 28.738 -0.095 0.000 0.901 570 Q HN 0.170 nan 8.270 nan 0.000 0.429 571 L N 0.828 121.997 121.223 -0.090 0.000 2.465 571 L HA -0.066 4.304 4.340 0.050 0.000 0.224 571 L C 1.006 177.826 176.870 -0.083 0.000 1.145 571 L CA 1.353 56.145 54.840 -0.081 0.000 0.834 571 L CB -0.418 41.607 42.059 -0.057 0.000 0.944 571 L HN 0.244 nan 8.230 nan 0.000 0.451 572 N N -0.905 117.741 118.700 -0.089 0.000 2.203 572 N HA 0.189 4.959 4.740 0.050 0.000 0.207 572 N C 0.371 175.820 175.510 -0.102 0.000 1.130 572 N CA -0.035 52.968 53.050 -0.079 0.000 0.861 572 N CB 0.981 39.433 38.487 -0.058 0.000 1.005 572 N HN 0.208 nan 8.380 nan 0.000 0.507 573 I N 1.666 122.142 120.570 -0.157 0.000 2.533 573 I HA -0.035 4.165 4.170 0.050 0.000 0.284 573 I C 0.542 176.566 176.117 -0.155 0.000 1.109 573 I CA 0.340 61.514 61.300 -0.210 0.000 1.412 573 I CB 0.492 38.241 38.000 -0.418 0.000 1.396 573 I HN -0.175 nan 8.210 nan 0.000 0.543 574 T N 8.221 122.711 114.554 -0.107 0.000 2.888 574 T HA 0.143 4.523 4.350 0.050 0.000 0.301 574 T C -1.986 172.675 174.700 -0.064 0.000 1.001 574 T CA -0.772 61.291 62.100 -0.062 0.000 1.147 574 T CB 0.139 68.990 68.868 -0.028 0.000 0.931 574 T HN 0.394 nan 8.240 nan 0.000 0.541 575 P HA 0.238 nan 4.420 nan 0.000 0.270 575 P C -2.374 174.939 177.300 0.022 0.000 1.223 575 P CA -1.375 61.711 63.100 -0.023 0.000 0.785 575 P CB -0.407 31.291 31.700 -0.003 0.000 0.923 576 P HA 0.283 nan 4.420 nan 0.000 0.276 576 P C -2.448 174.907 177.300 0.091 0.000 1.261 576 P CA -1.538 61.628 63.100 0.110 0.000 0.800 576 P CB -0.979 30.835 31.700 0.191 0.000 1.066 577 P HA 0.117 nan 4.420 nan 0.000 0.272 577 P C -0.257 177.095 177.300 0.087 0.000 1.230 577 P CA 0.088 63.237 63.100 0.082 0.000 0.788 577 P CB 0.217 31.967 31.700 0.084 0.000 0.949 578 D N -0.203 120.240 120.400 0.072 0.000 2.364 578 D HA 0.045 4.715 4.640 0.050 0.000 0.236 578 D C -0.054 176.298 176.300 0.088 0.000 1.221 578 D CA 0.166 54.206 54.000 0.067 0.000 0.891 578 D CB 0.265 41.099 40.800 0.056 0.000 1.190 578 D HN -0.013 nan 8.370 nan 0.000 0.449 579 V N 2.231 122.187 119.914 0.071 0.000 2.334 579 V HA 0.062 4.212 4.120 0.050 0.000 0.267 579 V C 0.284 176.473 176.094 0.158 0.000 1.040 579 V CA -0.553 61.820 62.300 0.122 0.000 0.866 579 V CB -0.200 31.611 31.823 -0.021 0.000 1.019 579 V HN 0.580 nan 8.190 nan 0.000 0.468 580 N N 4.385 123.198 118.700 0.188 0.000 2.707 580 N HA -0.233 4.537 4.740 0.050 0.000 0.253 580 N C 1.179 176.757 175.510 0.112 0.000 0.998 580 N CA 1.047 54.193 53.050 0.160 0.000 0.751 580 N CB -0.869 37.761 38.487 0.238 0.000 0.920 580 N HN 1.317 nan 8.380 nan 0.000 0.539 581 G N -2.018 106.834 108.800 0.087 0.000 2.184 581 G HA2 -0.331 3.659 3.960 0.050 0.000 0.264 581 G HA3 -0.331 3.659 3.960 0.050 0.000 0.264 581 G C 0.092 175.025 174.900 0.055 0.000 0.975 581 G CA 0.366 45.504 45.100 0.062 0.000 0.642 581 G HN 0.415 nan 8.290 nan 0.000 0.536 582 L N 0.904 122.164 121.223 0.060 0.000 2.305 582 L HA 0.425 4.795 4.340 0.050 0.000 0.281 582 L C 1.616 178.503 176.870 0.027 0.000 1.085 582 L CA -0.232 54.633 54.840 0.041 0.000 0.813 582 L CB 1.171 43.252 42.059 0.038 0.000 1.157 582 L HN 0.224 nan 8.230 nan 0.000 0.436 583 K N 3.487 123.898 120.400 0.018 0.000 2.358 583 K HA 0.197 4.547 4.320 0.050 0.000 0.200 583 K C -0.333 176.262 176.600 -0.008 0.000 1.030 583 K CA -0.067 56.228 56.287 0.012 0.000 1.097 583 K CB 0.589 33.098 32.500 0.014 0.000 0.862 583 K HN 0.739 nan 8.250 nan 0.000 0.534 584 K N -0.541 119.849 120.400 -0.017 0.000 2.772 584 K HA 0.267 4.617 4.320 0.050 0.000 0.292 584 K C -2.127 174.455 176.600 -0.030 0.000 1.049 584 K CA -0.897 55.364 56.287 -0.043 0.000 0.846 584 K CB 0.712 33.165 32.500 -0.077 0.000 1.514 584 K HN -0.140 nan 8.250 nan 0.000 0.373 585 D N 0.965 121.340 120.400 -0.042 0.000 2.478 585 D HA 0.323 4.993 4.640 0.050 0.000 0.240 585 D C -2.279 174.003 176.300 -0.029 0.000 1.364 585 D CA -1.981 52.012 54.000 -0.011 0.000 0.987 585 D CB 2.232 43.046 40.800 0.024 0.000 1.328 585 D HN 0.259 nan 8.370 nan 0.000 0.584 586 P HA -0.069 nan 4.420 nan 0.000 0.230 586 P C 1.287 178.575 177.300 -0.020 0.000 1.158 586 P CA 0.687 63.755 63.100 -0.054 0.000 0.769 586 P CB 0.205 31.883 31.700 -0.036 0.000 0.807 587 S N -0.960 114.761 115.700 0.035 0.000 2.500 587 S HA -0.080 4.420 4.470 0.050 0.000 0.239 587 S C 1.605 176.289 174.600 0.140 0.000 0.989 587 S CA 0.864 59.123 58.200 0.098 0.000 0.951 587 S CB -1.365 61.916 63.200 0.135 0.000 0.759 587 S HN 0.159 nan 8.310 nan 0.000 0.523 588 L N 1.083 122.347 121.223 0.069 0.000 2.509 588 L HA 0.243 4.613 4.340 0.050 0.000 0.222 588 L C 1.402 178.155 176.870 -0.195 0.000 1.123 588 L CA 0.016 54.889 54.840 0.055 0.000 0.856 588 L CB -0.173 41.903 42.059 0.028 0.000 0.985 588 L HN 0.302 nan 8.230 nan 0.000 0.456 589 S N -0.332 115.239 115.700 -0.214 0.000 2.586 589 S HA 0.288 4.788 4.470 0.050 0.000 0.274 589 S C 1.143 175.617 174.600 -0.209 0.000 1.281 589 S CA -0.609 57.413 58.200 -0.297 0.000 1.035 589 S CB 1.222 64.252 63.200 -0.283 0.000 0.962 589 S HN 0.171 nan 8.310 nan 0.000 0.512 590 L N 3.193 124.209 121.223 -0.345 0.000 2.141 590 L HA -0.014 4.356 4.340 0.050 0.000 0.209 590 L C 0.852 177.438 176.870 -0.474 0.000 1.094 590 L CA 1.238 55.757 54.840 -0.536 0.000 0.763 590 L CB -0.309 41.105 42.059 -1.075 0.000 0.908 590 L HN 0.757 nan 8.230 nan 0.000 0.437 591 Y N -2.511 117.779 120.300 -0.017 0.000 2.448 591 Y HA 0.354 4.935 4.550 0.051 0.000 0.257 591 Y C 2.095 178.010 175.900 0.025 0.000 1.089 591 Y CA -0.230 57.912 58.100 0.071 0.000 1.245 591 Y CB -0.455 38.078 38.460 0.121 0.000 1.282 591 Y HN -0.061 nan 8.280 nan 0.000 0.529 592 A N 0.948 123.793 122.820 0.041 0.000 1.892 592 A HA -0.122 4.228 4.320 0.050 0.000 0.218 592 A C 0.978 178.593 177.584 0.052 0.000 1.188 592 A CA 1.234 53.267 52.037 -0.006 0.000 0.631 592 A CB -0.810 18.134 19.000 -0.094 0.000 0.822 592 A HN 0.283 nan 8.150 nan 0.000 0.447 593 I N 0.672 121.279 120.570 0.061 0.000 2.312 593 I HA 0.236 4.436 4.170 0.050 0.000 0.290 593 I C -2.468 173.719 176.117 0.117 0.000 1.008 593 I CA -2.163 59.184 61.300 0.077 0.000 1.226 593 I CB 1.285 39.319 38.000 0.057 0.000 1.371 593 I HN -0.001 nan 8.210 nan 0.000 0.468 594 P HA -0.078 nan 4.420 nan 0.000 0.261 594 P C -0.269 177.105 177.300 0.123 0.000 1.165 594 P CA 0.683 63.869 63.100 0.145 0.000 0.759 594 P CB 0.391 32.158 31.700 0.112 0.000 0.772 595 D N 1.640 122.125 120.400 0.141 0.000 2.783 595 D HA 0.120 4.790 4.640 0.050 0.000 0.306 595 D C 0.376 176.740 176.300 0.107 0.000 1.633 595 D CA -0.294 53.773 54.000 0.111 0.000 0.796 595 D CB -0.338 40.526 40.800 0.107 0.000 1.230 595 D HN 0.358 nan 8.370 nan 0.000 0.441 596 G N 0.476 109.346 108.800 0.117 0.000 2.432 596 G HA2 0.362 4.352 3.960 0.050 0.000 0.239 596 G HA3 0.362 4.352 3.960 0.050 0.000 0.239 596 G C -0.528 174.411 174.900 0.064 0.000 1.291 596 G CA -0.021 45.142 45.100 0.104 0.000 0.863 596 G HN 0.228 nan 8.290 nan 0.000 0.560 597 D N 0.784 121.214 120.400 0.051 0.000 2.736 597 D HA 0.175 4.845 4.640 0.050 0.000 0.243 597 D C 0.893 177.204 176.300 0.019 0.000 1.304 597 D CA -0.576 53.439 54.000 0.025 0.000 0.934 597 D CB 1.815 42.622 40.800 0.012 0.000 1.382 597 D HN 0.316 nan 8.370 nan 0.000 0.571 598 V N 1.853 121.771 119.914 0.006 0.000 3.541 598 V HA 0.256 4.406 4.120 0.050 0.000 0.267 598 V C 0.991 177.063 176.094 -0.036 0.000 1.213 598 V CA 0.115 62.414 62.300 -0.003 0.000 1.149 598 V CB -0.651 31.167 31.823 -0.009 0.000 0.822 598 V HN 0.395 nan 8.190 nan 0.000 0.462 599 K N 1.329 121.701 120.400 -0.047 0.000 2.447 599 K HA 0.386 4.736 4.320 0.050 0.000 0.281 599 K C 1.260 177.813 176.600 -0.077 0.000 1.031 599 K CA 1.063 57.300 56.287 -0.084 0.000 1.019 599 K CB 0.071 32.529 32.500 -0.070 0.000 0.918 599 K HN 0.710 nan 8.250 nan 0.000 0.476 600 G N 3.241 111.955 108.800 -0.143 0.000 2.195 600 G HA2 -0.215 3.775 3.960 0.050 0.000 0.246 600 G HA3 -0.215 3.775 3.960 0.050 0.000 0.246 600 G C 0.120 175.049 174.900 0.050 0.000 0.984 600 G CA -0.223 44.863 45.100 -0.022 0.000 0.633 600 G HN 0.562 nan 8.290 nan 0.000 0.525 601 R N -0.247 120.255 120.500 0.003 0.000 2.747 601 R HA 0.669 5.039 4.340 0.050 0.000 0.278 601 R C 0.226 176.570 176.300 0.073 0.000 1.153 601 R CA 0.015 56.151 56.100 0.060 0.000 1.206 601 R CB 0.398 30.729 30.300 0.050 0.000 1.161 601 R HN 0.483 nan 8.270 nan 0.000 0.589 602 V N 0.229 120.208 119.914 0.108 0.000 2.851 602 V HA 0.335 4.485 4.120 0.050 0.000 0.307 602 V C -0.442 175.717 176.094 0.108 0.000 1.129 602 V CA -0.926 61.456 62.300 0.136 0.000 0.932 602 V CB 2.368 34.300 31.823 0.182 0.000 1.024 602 V HN 0.364 nan 8.190 nan 0.000 0.426 603 V N 2.624 122.595 119.914 0.095 0.000 2.581 603 V HA 0.828 4.978 4.120 0.050 0.000 0.303 603 V C 0.473 176.624 176.094 0.094 0.000 1.041 603 V CA -0.519 61.829 62.300 0.080 0.000 0.907 603 V CB 2.010 33.865 31.823 0.054 0.000 0.994 603 V HN 1.081 nan 8.190 nan 0.000 0.442 604 A N 5.597 128.480 122.820 0.104 0.000 2.328 604 A HA 0.784 5.134 4.320 0.050 0.000 0.284 604 A C -0.482 177.114 177.584 0.019 0.000 1.160 604 A CA -0.304 51.779 52.037 0.077 0.000 0.818 604 A CB 0.102 19.180 19.000 0.130 0.000 1.087 604 A HN 0.751 nan 8.150 nan 0.000 0.504 605 I N 3.414 123.989 120.570 0.008 0.000 2.382 605 I HA 0.220 4.420 4.170 0.050 0.000 0.286 605 I C -0.630 175.489 176.117 0.004 0.000 1.002 605 I CA -0.243 61.063 61.300 0.010 0.000 1.135 605 I CB 1.422 39.443 38.000 0.034 0.000 1.288 605 I HN 0.475 nan 8.210 nan 0.000 0.448 606 L N 7.216 128.427 121.223 -0.021 0.000 2.295 606 L HA 0.424 4.794 4.340 0.050 0.000 0.288 606 L C 0.049 177.012 176.870 0.155 0.000 1.079 606 L CA -0.329 54.544 54.840 0.055 0.000 0.830 606 L CB 0.373 42.323 42.059 -0.183 0.000 1.200 606 L HN 0.457 nan 8.230 nan 0.000 0.438 607 L N 3.538 124.909 121.223 0.245 0.000 2.468 607 L HA 0.357 4.727 4.340 0.050 0.000 0.254 607 L C 0.098 177.149 176.870 0.301 0.000 1.171 607 L CA -0.481 54.459 54.840 0.166 0.000 0.809 607 L CB 1.042 43.114 42.059 0.022 0.000 1.155 607 L HN 0.693 nan 8.230 nan 0.000 0.473 608 N N -2.339 116.441 118.700 0.134 0.000 2.629 608 N HA 0.211 4.981 4.740 0.050 0.000 0.279 608 N C -0.340 175.137 175.510 -0.055 0.000 1.344 608 N CA -0.747 52.423 53.050 0.200 0.000 0.789 608 N CB 0.743 39.341 38.487 0.184 0.000 1.508 608 N HN 0.536 nan 8.380 nan 0.000 0.516 609 D N -1.566 118.845 120.400 0.018 0.000 2.363 609 D HA -0.088 4.582 4.640 0.050 0.000 0.226 609 D C -0.378 175.886 176.300 -0.060 0.000 1.020 609 D CA 0.824 54.769 54.000 -0.092 0.000 0.892 609 D CB -0.027 40.788 40.800 0.026 0.000 0.900 609 D HN 0.750 nan 8.370 nan 0.000 0.531 610 E N 0.602 120.786 120.200 -0.026 0.000 3.544 610 E HA 0.208 4.588 4.350 0.050 0.000 0.264 610 E C -1.127 175.461 176.600 -0.018 0.000 1.225 610 E CA -0.398 55.986 56.400 -0.026 0.000 1.045 610 E CB 1.021 30.714 29.700 -0.012 0.000 1.338 610 E HN -0.138 nan 8.360 nan 0.000 0.395 611 V N 2.392 122.287 119.914 -0.031 0.000 2.617 611 V HA -0.029 4.121 4.120 0.050 0.000 0.304 611 V C 0.910 176.991 176.094 -0.023 0.000 1.040 611 V CA 0.549 62.837 62.300 -0.020 0.000 1.149 611 V CB 0.556 32.360 31.823 -0.031 0.000 0.914 611 V HN 0.505 nan 8.190 nan 0.000 0.487 612 R N 3.829 124.316 120.500 -0.021 0.000 2.435 612 R HA 0.023 4.393 4.340 0.050 0.000 0.325 612 R C 1.679 177.958 176.300 -0.035 0.000 1.149 612 R CA 0.536 56.618 56.100 -0.031 0.000 0.995 612 R CB 0.150 30.426 30.300 -0.039 0.000 1.008 612 R HN 1.011 nan 8.270 nan 0.000 0.470 613 S N 3.235 118.916 115.700 -0.031 0.000 2.387 613 S HA -0.277 4.224 4.470 0.050 0.000 0.230 613 S C 2.023 176.604 174.600 -0.032 0.000 1.035 613 S CA 1.069 59.251 58.200 -0.029 0.000 1.014 613 S CB -0.246 62.939 63.200 -0.026 0.000 0.836 613 S HN 0.688 nan 8.310 nan 0.000 0.466 614 A N 2.319 125.117 122.820 -0.036 0.000 1.940 614 A HA -0.148 4.202 4.320 0.050 0.000 0.219 614 A C 1.981 179.532 177.584 -0.055 0.000 1.176 614 A CA 1.766 53.779 52.037 -0.041 0.000 0.631 614 A CB -0.922 18.052 19.000 -0.043 0.000 0.814 614 A HN 0.497 nan 8.150 nan 0.000 0.446 615 D N -0.175 120.182 120.400 -0.072 0.000 2.104 615 D HA -0.136 4.534 4.640 0.050 0.000 0.194 615 D C 1.915 178.180 176.300 -0.059 0.000 0.994 615 D CA 0.920 54.859 54.000 -0.101 0.000 0.830 615 D CB -0.388 40.340 40.800 -0.120 0.000 0.959 615 D HN 0.366 nan 8.370 nan 0.000 0.452 616 L N 0.431 121.633 121.223 -0.034 0.000 2.083 616 L HA -0.127 4.243 4.340 0.050 0.000 0.209 616 L C 2.384 179.251 176.870 -0.006 0.000 1.083 616 L CA 0.763 55.596 54.840 -0.012 0.000 0.752 616 L CB -0.206 41.847 42.059 -0.011 0.000 0.899 616 L HN 0.091 nan 8.230 nan 0.000 0.433 617 L N -0.664 120.551 121.223 -0.013 0.000 2.083 617 L HA -0.193 4.177 4.340 0.050 0.000 0.209 617 L C 2.759 179.628 176.870 -0.001 0.000 1.083 617 L CA 1.192 56.028 54.840 -0.006 0.000 0.752 617 L CB -0.583 41.469 42.059 -0.011 0.000 0.899 617 L HN 0.270 nan 8.230 nan 0.000 0.433 618 A N 0.032 122.847 122.820 -0.007 0.000 1.897 618 A HA -0.113 4.238 4.320 0.050 0.000 0.215 618 A C 2.182 179.784 177.584 0.029 0.000 1.181 618 A CA 1.114 53.152 52.037 0.003 0.000 0.620 618 A CB -0.501 18.488 19.000 -0.018 0.000 0.821 618 A HN 0.297 nan 8.150 nan 0.000 0.443 619 I N -0.101 120.489 120.570 0.035 0.000 2.142 619 I HA -0.273 3.927 4.170 0.050 0.000 0.240 619 I C 2.363 178.512 176.117 0.052 0.000 1.078 619 I CA 1.302 62.646 61.300 0.072 0.000 1.343 619 I CB -0.312 37.736 38.000 0.079 0.000 1.046 619 I HN 0.279 nan 8.210 nan 0.000 0.405 620 L N 0.365 121.609 121.223 0.035 0.000 2.093 620 L HA -0.206 4.164 4.340 0.050 0.000 0.208 620 L C 2.610 179.494 176.870 0.023 0.000 1.085 620 L CA 1.211 56.069 54.840 0.030 0.000 0.755 620 L CB -0.658 41.416 42.059 0.025 0.000 0.904 620 L HN 0.259 nan 8.230 nan 0.000 0.435 621 K N 0.734 121.146 120.400 0.020 0.000 2.063 621 K HA -0.203 4.147 4.320 0.050 0.000 0.208 621 K C 2.094 178.703 176.600 0.016 0.000 1.048 621 K CA 1.523 57.820 56.287 0.016 0.000 0.928 621 K CB -0.019 32.489 32.500 0.013 0.000 0.713 621 K HN 0.277 nan 8.250 nan 0.000 0.442 622 A N 1.211 124.046 122.820 0.025 0.000 1.898 622 A HA -0.027 4.323 4.320 0.050 0.000 0.214 622 A C 2.123 179.714 177.584 0.011 0.000 1.183 622 A CA 0.788 52.840 52.037 0.025 0.000 0.622 622 A CB -0.434 18.593 19.000 0.045 0.000 0.824 622 A HN 0.275 nan 8.150 nan 0.000 0.444 623 L N -0.504 120.727 121.223 0.014 0.000 1.989 623 L HA -0.226 4.144 4.340 0.050 0.000 0.211 623 L C 2.647 179.502 176.870 -0.025 0.000 1.071 623 L CA 2.055 56.891 54.840 -0.006 0.000 0.749 623 L CB -0.514 41.550 42.059 0.008 0.000 0.890 623 L HN 0.435 nan 8.230 nan 0.000 0.431 624 K N 0.285 120.680 120.400 -0.009 0.000 2.074 624 K HA -0.235 4.115 4.320 0.050 0.000 0.209 624 K C 2.070 178.656 176.600 -0.023 0.000 1.048 624 K CA 1.562 57.841 56.287 -0.014 0.000 0.926 624 K CB -0.149 32.354 32.500 0.005 0.000 0.713 624 K HN 0.307 nan 8.250 nan 0.000 0.444 625 A N 0.844 123.656 122.820 -0.014 0.000 2.076 625 A HA -0.132 4.218 4.320 0.050 0.000 0.220 625 A C 1.545 179.114 177.584 -0.024 0.000 1.160 625 A CA 1.421 53.450 52.037 -0.014 0.000 0.653 625 A CB -0.094 18.903 19.000 -0.004 0.000 0.801 625 A HN 0.185 nan 8.150 nan 0.000 0.455 626 K N -1.739 118.640 120.400 -0.036 0.000 2.373 626 K HA 0.226 4.576 4.320 0.050 0.000 0.202 626 K C 0.900 177.453 176.600 -0.079 0.000 1.025 626 K CA 0.605 56.865 56.287 -0.045 0.000 1.115 626 K CB 0.350 32.828 32.500 -0.037 0.000 0.858 626 K HN 0.684 nan 8.250 nan 0.000 0.525 627 G N 1.730 110.469 108.800 -0.101 0.000 2.160 627 G HA2 -0.232 3.758 3.960 0.050 0.000 0.251 627 G HA3 -0.232 3.758 3.960 0.050 0.000 0.251 627 G C 0.115 174.812 174.900 -0.338 0.000 1.008 627 G CA 0.235 45.227 45.100 -0.179 0.000 0.724 627 G HN 0.111 nan 8.290 nan 0.000 0.514 628 V N 0.625 120.385 119.914 -0.256 0.000 2.509 628 V HA 0.509 4.659 4.120 0.050 0.000 0.284 628 V C 0.785 176.705 176.094 -0.291 0.000 1.047 628 V CA -0.724 61.413 62.300 -0.273 0.000 0.952 628 V CB 1.184 32.943 31.823 -0.107 0.000 0.988 628 V HN 0.446 nan 8.190 nan 0.000 0.469 629 H N 1.583 120.666 119.070 0.021 0.000 2.495 629 H HA 0.767 5.353 4.556 0.050 0.000 0.350 629 H C 0.177 175.526 175.328 0.035 0.000 1.202 629 H CA 0.044 56.107 56.048 0.026 0.000 1.322 629 H CB 1.275 31.053 29.762 0.028 0.000 1.544 629 H HN 0.856 nan 8.280 nan 0.000 0.565 630 A N 1.111 124.034 122.820 0.171 0.000 2.454 630 A HA 0.557 4.908 4.320 0.050 0.000 0.302 630 A C -1.132 176.511 177.584 0.097 0.000 1.079 630 A CA -1.035 51.069 52.037 0.110 0.000 0.731 630 A CB 1.240 20.286 19.000 0.077 0.000 1.299 630 A HN 0.792 nan 8.150 nan 0.000 0.413 631 K N 1.937 122.387 120.400 0.084 0.000 2.426 631 K HA 0.684 5.034 4.320 0.050 0.000 0.254 631 K C -1.641 174.989 176.600 0.049 0.000 0.936 631 K CA -0.495 55.833 56.287 0.069 0.000 0.801 631 K CB 1.487 34.039 32.500 0.086 0.000 1.139 631 K HN 0.502 nan 8.250 nan 0.000 0.424 632 L N 4.429 125.673 121.223 0.034 0.000 2.260 632 L HA 0.344 4.715 4.340 0.050 0.000 0.289 632 L C -0.814 176.067 176.870 0.017 0.000 1.057 632 L CA -1.118 53.736 54.840 0.023 0.000 0.811 632 L CB 0.643 42.708 42.059 0.010 0.000 1.184 632 L HN 0.509 nan 8.230 nan 0.000 0.429 633 L N 4.279 125.519 121.223 0.027 0.000 2.342 633 L HA 0.608 4.978 4.340 0.050 0.000 0.271 633 L C -0.513 176.320 176.870 -0.061 0.000 1.008 633 L CA -0.442 54.383 54.840 -0.025 0.000 0.818 633 L CB 1.665 43.735 42.059 0.018 0.000 1.296 633 L HN 0.350 nan 8.230 nan 0.000 0.427 634 Y N -0.594 119.326 120.300 -0.634 0.000 2.967 634 Y HA 0.305 4.885 4.550 0.050 0.000 0.311 634 Y C 0.937 176.069 175.900 -1.280 0.000 1.555 634 Y CA -0.383 57.229 58.100 -0.813 0.000 1.084 634 Y CB 1.357 39.639 38.460 -0.297 0.000 1.508 634 Y HN 0.551 nan 8.280 nan 0.000 0.457 635 S N 0.551 115.313 115.700 -1.564 0.000 2.558 635 S HA 0.257 4.757 4.470 0.050 0.000 0.217 635 S C 0.069 174.375 174.600 -0.489 0.000 0.975 635 S CA 0.362 58.001 58.200 -0.935 0.000 0.912 635 S CB -0.069 62.712 63.200 -0.698 0.000 0.776 635 S HN 0.613 nan 8.310 nan 0.000 0.526 636 R N -1.165 119.131 120.500 -0.340 0.000 2.752 636 R HA 0.622 4.992 4.340 0.050 0.000 0.271 636 R C -0.774 175.518 176.300 -0.014 0.000 1.026 636 R CA -1.112 54.926 56.100 -0.105 0.000 0.901 636 R CB 0.499 30.784 30.300 -0.027 0.000 1.243 636 R HN -0.072 nan 8.270 nan 0.000 0.463 637 M N 0.170 119.765 119.600 -0.008 0.000 2.114 637 M HA 0.476 4.986 4.480 0.050 0.000 0.280 637 M C 1.014 177.331 176.300 0.027 0.000 1.209 637 M CA 1.036 56.340 55.300 0.006 0.000 1.044 637 M CB 0.498 33.095 32.600 -0.006 0.000 1.404 637 M HN 1.060 nan 8.290 nan 0.000 0.499 638 G N 0.790 109.597 108.800 0.012 0.000 2.715 638 G HA2 -0.115 3.875 3.960 0.050 0.000 0.221 638 G HA3 -0.115 3.875 3.960 0.050 0.000 0.221 638 G C -0.807 174.086 174.900 -0.012 0.000 1.204 638 G CA 0.073 45.175 45.100 0.004 0.000 1.063 638 G HN 0.950 nan 8.290 nan 0.000 0.586 639 E N -1.079 119.105 120.200 -0.027 0.000 2.408 639 E HA 0.698 5.079 4.350 0.050 0.000 0.275 639 E C -0.406 176.123 176.600 -0.120 0.000 0.935 639 E CA -0.601 55.760 56.400 -0.064 0.000 0.775 639 E CB 2.534 32.206 29.700 -0.047 0.000 1.277 639 E HN 1.641 nan 8.360 nan 0.000 0.455 640 V N -1.806 117.999 119.914 -0.183 0.000 3.113 640 V HA 0.763 4.913 4.120 0.050 0.000 0.316 640 V C -0.509 175.502 176.094 -0.138 0.000 1.125 640 V CA -0.679 61.488 62.300 -0.222 0.000 1.026 640 V CB 1.750 33.314 31.823 -0.432 0.000 1.080 640 V HN 0.766 nan 8.190 nan 0.000 0.444 641 T N 1.874 116.359 114.554 -0.115 0.000 2.812 641 T HA 0.790 5.170 4.350 0.050 0.000 0.282 641 T C 0.121 174.780 174.700 -0.069 0.000 0.990 641 T CA 0.226 62.281 62.100 -0.075 0.000 0.960 641 T CB 1.290 70.126 68.868 -0.052 0.000 0.948 641 T HN 1.335 nan 8.240 nan 0.000 0.438 642 A N 2.220 125.006 122.820 -0.057 0.000 2.296 642 A HA 0.407 4.758 4.320 0.050 0.000 0.264 642 A C 1.520 179.083 177.584 -0.035 0.000 1.097 642 A CA -0.404 51.605 52.037 -0.046 0.000 0.811 642 A CB 0.117 19.093 19.000 -0.040 0.000 1.072 642 A HN 0.906 nan 8.150 nan 0.000 0.495 643 D N 0.094 120.476 120.400 -0.029 0.000 2.228 643 D HA -0.203 4.467 4.640 0.050 0.000 0.203 643 D C 0.544 176.831 176.300 -0.021 0.000 0.988 643 D CA 1.638 55.625 54.000 -0.023 0.000 0.864 643 D CB -0.313 40.475 40.800 -0.021 0.000 0.928 643 D HN 0.602 nan 8.370 nan 0.000 0.469 644 D N -1.504 118.882 120.400 -0.022 0.000 2.358 644 D HA 0.222 4.892 4.640 0.050 0.000 0.224 644 D C 1.618 177.906 176.300 -0.019 0.000 1.123 644 D CA 0.231 54.220 54.000 -0.019 0.000 0.833 644 D CB -0.155 40.634 40.800 -0.019 0.000 0.946 644 D HN 0.336 nan 8.370 nan 0.000 0.505 645 G N -0.002 108.785 108.800 -0.022 0.000 2.184 645 G HA2 -0.296 3.694 3.960 0.050 0.000 0.264 645 G HA3 -0.296 3.694 3.960 0.050 0.000 0.264 645 G C 0.453 175.338 174.900 -0.024 0.000 0.975 645 G CA 0.435 45.522 45.100 -0.022 0.000 0.642 645 G HN 0.453 nan 8.290 nan 0.000 0.536 646 T N 1.336 115.875 114.554 -0.025 0.000 2.829 646 T HA 0.383 4.764 4.350 0.050 0.000 0.293 646 T C 0.748 175.429 174.700 -0.033 0.000 0.970 646 T CA 0.080 62.165 62.100 -0.025 0.000 1.168 646 T CB 1.929 70.783 68.868 -0.024 0.000 0.911 646 T HN 0.423 nan 8.240 nan 0.000 0.535 647 V N 6.100 125.996 119.914 -0.030 0.000 2.455 647 V HA 0.237 4.388 4.120 0.050 0.000 0.273 647 V C 0.292 176.362 176.094 -0.039 0.000 1.045 647 V CA -0.355 61.923 62.300 -0.037 0.000 0.976 647 V CB 0.345 32.150 31.823 -0.029 0.000 0.993 647 V HN 0.665 nan 8.190 nan 0.000 0.475 648 L N 8.323 129.513 121.223 -0.055 0.000 2.294 648 L HA 0.468 4.838 4.340 0.050 0.000 0.283 648 L C -2.349 174.486 176.870 -0.059 0.000 1.015 648 L CA -1.845 52.962 54.840 -0.054 0.000 0.831 648 L CB 1.819 43.836 42.059 -0.069 0.000 1.217 648 L HN 0.410 nan 8.230 nan 0.000 0.420 649 P HA 0.230 nan 4.420 nan 0.000 0.276 649 P C -0.512 176.772 177.300 -0.026 0.000 1.235 649 P CA 0.013 63.096 63.100 -0.028 0.000 0.772 649 P CB 1.084 32.775 31.700 -0.014 0.000 0.871 650 I N 2.294 122.850 120.570 -0.023 0.000 2.353 650 I HA 0.249 4.449 4.170 0.050 0.000 0.293 650 I C 1.511 177.625 176.117 -0.005 0.000 0.992 650 I CA -0.395 60.897 61.300 -0.014 0.000 1.268 650 I CB 1.535 39.535 38.000 -0.000 0.000 1.387 650 I HN 0.346 nan 8.210 nan 0.000 0.478 651 A N 5.132 127.952 122.820 -0.000 0.000 1.935 651 A HA 0.623 4.973 4.320 0.050 0.000 0.214 651 A C 0.939 178.526 177.584 0.005 0.000 1.178 651 A CA 1.117 53.159 52.037 0.008 0.000 0.640 651 A CB 0.060 19.072 19.000 0.021 0.000 0.825 651 A HN 0.796 nan 8.150 nan 0.000 0.447 652 A N -1.824 120.992 122.820 -0.007 0.000 2.601 652 A HA 0.571 4.921 4.320 0.050 0.000 0.291 652 A C -0.006 177.532 177.584 -0.078 0.000 1.075 652 A CA 0.074 52.102 52.037 -0.014 0.000 0.671 652 A CB -0.215 18.802 19.000 0.029 0.000 1.277 652 A HN 0.752 nan 8.150 nan 0.000 0.417 653 T N -1.339 113.156 114.554 -0.098 0.000 2.788 653 T HA 0.505 4.885 4.350 0.050 0.000 0.287 653 T C 1.040 175.680 174.700 -0.099 0.000 1.007 653 T CA 0.208 62.174 62.100 -0.224 0.000 1.005 653 T CB -0.039 68.736 68.868 -0.156 0.000 1.012 653 T HN 0.466 nan 8.240 nan 0.000 0.530 654 F N 0.678 120.641 119.950 0.022 0.000 2.091 654 F HA -0.087 4.470 4.527 0.050 0.000 0.299 654 F C 2.990 178.922 175.800 0.219 0.000 1.103 654 F CA 1.177 59.242 58.000 0.108 0.000 1.228 654 F CB -0.733 38.312 39.000 0.074 0.000 0.984 654 F HN 0.705 nan 8.300 nan 0.000 0.477 655 A N 0.198 123.187 122.820 0.281 0.000 1.968 655 A HA 0.042 4.393 4.320 0.050 0.000 0.217 655 A C 2.400 180.056 177.584 0.121 0.000 1.169 655 A CA 1.385 53.528 52.037 0.177 0.000 0.638 655 A CB -1.396 17.666 19.000 0.102 0.000 0.812 655 A HN 0.402 nan 8.150 nan 0.000 0.446 656 G N -0.922 107.933 108.800 0.092 0.000 2.448 656 G HA2 0.282 4.272 3.960 0.050 0.000 0.218 656 G HA3 0.282 4.272 3.960 0.050 0.000 0.218 656 G C 0.631 175.585 174.900 0.089 0.000 1.135 656 G CA 0.960 46.099 45.100 0.064 0.000 0.784 656 G HN 1.069 nan 8.290 nan 0.000 0.543 657 A N 0.624 123.535 122.820 0.151 0.000 3.030 657 A HA 0.708 5.058 4.320 0.050 0.000 0.335 657 A C -2.737 175.015 177.584 0.280 0.000 1.089 657 A CA -1.109 51.033 52.037 0.176 0.000 0.807 657 A CB 1.352 20.452 19.000 0.167 0.000 1.099 657 A HN 0.072 nan 8.150 nan 0.000 0.474 658 P HA 0.050 nan 4.420 nan 0.000 0.271 658 P C 1.398 178.555 177.300 -0.240 0.000 1.233 658 P CA 0.295 63.360 63.100 -0.058 0.000 0.789 658 P CB 0.780 32.422 31.700 -0.097 0.000 0.951 659 S N 0.749 115.929 115.700 -0.867 0.000 2.465 659 S HA -0.155 4.345 4.470 0.050 0.000 0.241 659 S C 1.732 176.193 174.600 -0.232 0.000 1.000 659 S CA 1.115 58.950 58.200 -0.608 0.000 0.964 659 S CB -1.324 61.413 63.200 -0.771 0.000 0.763 659 S HN 0.319 nan 8.310 nan 0.000 0.512 660 L N 1.751 122.840 121.223 -0.222 0.000 2.129 660 L HA -0.096 4.274 4.340 0.050 0.000 0.212 660 L C 2.927 179.631 176.870 -0.276 0.000 1.087 660 L CA 1.670 56.373 54.840 -0.228 0.000 0.757 660 L CB -1.308 40.589 42.059 -0.270 0.000 0.896 660 L HN 0.649 nan 8.230 nan 0.000 0.434 661 T N -3.340 111.127 114.554 -0.144 0.000 3.107 661 T HA 0.202 4.582 4.350 0.050 0.000 0.249 661 T C 0.374 175.178 174.700 0.174 0.000 1.096 661 T CA 0.128 62.230 62.100 0.003 0.000 1.012 661 T CB -0.342 68.616 68.868 0.150 0.000 0.977 661 T HN 0.146 nan 8.240 nan 0.000 0.527 662 V N -2.577 117.397 119.914 0.099 0.000 3.113 662 V HA 0.571 4.721 4.120 0.050 0.000 0.316 662 V C -0.079 176.065 176.094 0.083 0.000 1.125 662 V CA -0.952 61.428 62.300 0.133 0.000 1.026 662 V CB 2.125 34.042 31.823 0.157 0.000 1.080 662 V HN 0.007 nan 8.190 nan 0.000 0.444 663 D N 0.954 121.404 120.400 0.083 0.000 2.366 663 D HA 0.482 5.152 4.640 0.050 0.000 0.205 663 D C 0.551 176.837 176.300 -0.023 0.000 1.022 663 D CA 1.474 55.497 54.000 0.038 0.000 0.868 663 D CB 1.476 42.320 40.800 0.074 0.000 0.953 663 D HN 0.984 nan 8.370 nan 0.000 0.514 664 A N 0.139 122.963 122.820 0.006 0.000 2.586 664 A HA 0.526 4.876 4.320 0.050 0.000 0.291 664 A C -1.595 176.007 177.584 0.031 0.000 1.062 664 A CA -0.554 51.473 52.037 -0.017 0.000 0.666 664 A CB 1.493 20.469 19.000 -0.039 0.000 1.281 664 A HN -0.103 nan 8.150 nan 0.000 0.421 665 V N 1.107 121.032 119.914 0.019 0.000 2.638 665 V HA 0.591 4.741 4.120 0.050 0.000 0.306 665 V C -0.735 175.366 176.094 0.012 0.000 1.052 665 V CA -0.225 62.102 62.300 0.044 0.000 0.885 665 V CB 1.601 33.471 31.823 0.078 0.000 0.999 665 V HN 0.707 nan 8.190 nan 0.000 0.424 666 I N 4.107 124.691 120.570 0.024 0.000 2.465 666 I HA 0.577 4.777 4.170 0.050 0.000 0.291 666 I C -0.875 175.271 176.117 0.049 0.000 1.014 666 I CA -0.956 60.387 61.300 0.070 0.000 1.093 666 I CB 2.278 40.351 38.000 0.121 0.000 1.267 666 I HN 0.285 nan 8.210 nan 0.000 0.431 667 V N 7.417 127.380 119.914 0.081 0.000 2.349 667 V HA 0.365 4.515 4.120 0.050 0.000 0.284 667 V C -2.125 174.030 176.094 0.101 0.000 1.014 667 V CA -1.544 60.790 62.300 0.055 0.000 0.826 667 V CB 1.238 33.075 31.823 0.023 0.000 1.009 667 V HN 0.563 nan 8.190 nan 0.000 0.431 668 P HA 0.406 nan 4.420 nan 0.000 0.276 668 P C -0.183 177.136 177.300 0.032 0.000 1.261 668 P CA -0.194 62.921 63.100 0.025 0.000 0.800 668 P CB 1.258 32.964 31.700 0.009 0.000 1.066 669 A N -0.016 122.798 122.820 -0.011 0.000 2.267 669 A HA 0.682 5.032 4.320 0.050 0.000 0.271 669 A C 0.768 178.357 177.584 0.008 0.000 1.131 669 A CA 0.598 52.635 52.037 0.001 0.000 0.818 669 A CB -0.773 18.209 19.000 -0.030 0.000 1.118 669 A HN 0.867 nan 8.150 nan 0.000 0.501 670 G N -0.581 108.225 108.800 0.009 0.000 2.292 670 G HA2 0.046 4.036 3.960 0.050 0.000 0.194 670 G HA3 0.046 4.036 3.960 0.050 0.000 0.194 670 G C -0.516 174.394 174.900 0.017 0.000 1.329 670 G CA -0.037 45.068 45.100 0.008 0.000 1.100 670 G HN 1.046 nan 8.290 nan 0.000 0.470 671 N N 2.019 120.735 118.700 0.027 0.000 2.971 671 N HA 0.176 4.946 4.740 0.050 0.000 0.294 671 N C 1.883 177.427 175.510 0.057 0.000 1.210 671 N CA -0.346 52.724 53.050 0.033 0.000 1.157 671 N CB -0.379 38.130 38.487 0.037 0.000 1.450 671 N HN 0.412 nan 8.380 nan 0.000 0.527 672 I N 0.506 121.100 120.570 0.039 0.000 2.423 672 I HA -0.230 3.970 4.170 0.050 0.000 0.254 672 I C 1.969 178.094 176.117 0.013 0.000 1.151 672 I CA 0.695 62.020 61.300 0.042 0.000 1.421 672 I CB -1.516 36.473 38.000 -0.018 0.000 1.079 672 I HN 0.416 nan 8.210 nan 0.000 0.431 673 A N 0.629 123.447 122.820 -0.003 0.000 2.070 673 A HA -0.249 4.101 4.320 0.050 0.000 0.220 673 A C 2.044 179.651 177.584 0.038 0.000 1.159 673 A CA 1.806 53.838 52.037 -0.008 0.000 0.656 673 A CB -0.685 18.309 19.000 -0.010 0.000 0.800 673 A HN 0.421 nan 8.150 nan 0.000 0.453 674 D N 0.279 120.727 120.400 0.081 0.000 2.178 674 D HA -0.129 4.541 4.640 0.050 0.000 0.201 674 D C 1.463 177.854 176.300 0.152 0.000 0.980 674 D CA 1.678 55.754 54.000 0.127 0.000 0.842 674 D CB -0.150 40.759 40.800 0.183 0.000 0.948 674 D HN 0.648 nan 8.370 nan 0.000 0.472 675 I N -4.457 116.216 120.570 0.173 0.000 4.240 675 I HA 0.498 4.698 4.170 0.050 0.000 0.331 675 I C 1.807 178.062 176.117 0.231 0.000 1.381 675 I CA -0.162 61.271 61.300 0.221 0.000 1.136 675 I CB 0.174 38.355 38.000 0.301 0.000 1.137 675 I HN -0.108 nan 8.210 nan 0.000 0.411 676 A N 1.512 124.384 122.820 0.087 0.000 1.978 676 A HA -0.160 4.190 4.320 0.050 0.000 0.220 676 A C 1.442 179.025 177.584 -0.002 0.000 1.170 676 A CA 2.132 54.103 52.037 -0.109 0.000 0.636 676 A CB -0.443 18.439 19.000 -0.197 0.000 0.810 676 A HN 0.514 nan 8.150 nan 0.000 0.448 677 D N -0.973 119.450 120.400 0.037 0.000 2.479 677 D HA 0.059 4.729 4.640 0.050 0.000 0.218 677 D C -0.142 176.194 176.300 0.060 0.000 1.177 677 D CA -0.232 53.789 54.000 0.036 0.000 0.830 677 D CB -0.194 40.615 40.800 0.014 0.000 1.014 677 D HN 0.289 nan 8.370 nan 0.000 0.503 678 N N 1.103 119.856 118.700 0.088 0.000 2.405 678 N HA 0.034 4.804 4.740 0.050 0.000 0.260 678 N C 1.417 176.967 175.510 0.067 0.000 1.152 678 N CA 0.087 53.186 53.050 0.081 0.000 0.948 678 N CB 1.352 39.902 38.487 0.105 0.000 1.111 678 N HN 0.049 nan 8.380 nan 0.000 0.485 679 G N 3.475 112.313 108.800 0.062 0.000 2.476 679 G HA2 -0.284 3.706 3.960 0.050 0.000 0.218 679 G HA3 -0.284 3.706 3.960 0.050 0.000 0.218 679 G C 0.995 175.944 174.900 0.083 0.000 1.164 679 G CA 0.634 45.772 45.100 0.063 0.000 0.768 679 G HN 0.576 nan 8.290 nan 0.000 0.560 680 D N 0.759 121.213 120.400 0.090 0.000 2.144 680 D HA 0.004 4.674 4.640 0.050 0.000 0.199 680 D C 2.794 179.084 176.300 -0.016 0.000 0.984 680 D CA 1.222 55.305 54.000 0.138 0.000 0.834 680 D CB -0.416 40.536 40.800 0.254 0.000 0.955 680 D HN 0.318 nan 8.370 nan 0.000 0.465 681 A N 0.906 123.550 122.820 -0.295 0.000 1.873 681 A HA -0.167 4.183 4.320 0.050 0.000 0.215 681 A C 2.015 179.379 177.584 -0.367 0.000 1.186 681 A CA 1.159 52.777 52.037 -0.699 0.000 0.616 681 A CB -0.470 18.098 19.000 -0.720 0.000 0.823 681 A HN 0.140 nan 8.150 nan 0.000 0.442 682 N N -1.322 117.314 118.700 -0.107 0.000 2.069 682 N HA -0.213 4.557 4.740 0.050 0.000 0.191 682 N C 1.689 177.180 175.510 -0.032 0.000 1.031 682 N CA 1.941 54.986 53.050 -0.008 0.000 0.852 682 N CB -0.501 38.057 38.487 0.119 0.000 1.018 682 N HN 0.693 nan 8.380 nan 0.000 0.423 683 Y N 0.431 120.690 120.300 -0.069 0.000 2.293 683 Y HA -0.238 4.342 4.550 0.050 0.000 0.291 683 Y C 2.384 178.229 175.900 -0.092 0.000 1.137 683 Y CA 1.042 59.101 58.100 -0.068 0.000 1.202 683 Y CB -0.319 38.111 38.460 -0.050 0.000 0.990 683 Y HN 0.020 nan 8.280 nan 0.000 0.537 684 Y N 0.460 120.628 120.300 -0.220 0.000 2.081 684 Y HA -0.354 4.226 4.550 0.050 0.000 0.280 684 Y C 2.104 177.802 175.900 -0.336 0.000 1.163 684 Y CA 2.299 60.240 58.100 -0.265 0.000 1.135 684 Y CB -0.551 37.745 38.460 -0.274 0.000 0.970 684 Y HN 0.114 nan 8.280 nan 0.000 0.498 685 L N -1.140 120.000 121.223 -0.138 0.000 2.109 685 L HA -0.247 4.123 4.340 0.050 0.000 0.207 685 L C 2.437 179.181 176.870 -0.210 0.000 1.086 685 L CA 1.292 56.035 54.840 -0.161 0.000 0.760 685 L CB -0.513 41.412 42.059 -0.223 0.000 0.910 685 L HN 0.306 nan 8.230 nan 0.000 0.437 686 M N -0.518 118.899 119.600 -0.304 0.000 2.117 686 M HA -0.242 4.269 4.480 0.050 0.000 0.262 686 M C 2.267 178.298 176.300 -0.448 0.000 1.065 686 M CA 1.789 56.897 55.300 -0.321 0.000 1.114 686 M CB -0.391 32.011 32.600 -0.329 0.000 1.361 686 M HN 0.221 nan 8.290 nan 0.000 0.408 687 E N 0.479 120.216 120.200 -0.772 0.000 2.072 687 E HA -0.171 4.209 4.350 0.050 0.000 0.191 687 E C 1.992 178.216 176.600 -0.627 0.000 0.985 687 E CA 1.224 57.147 56.400 -0.794 0.000 0.801 687 E CB 0.029 29.227 29.700 -0.838 0.000 0.750 687 E HN 0.470 nan 8.360 nan 0.000 0.452 688 A N 0.297 122.873 122.820 -0.407 0.000 1.933 688 A HA -0.204 4.146 4.320 0.050 0.000 0.218 688 A C 2.019 179.491 177.584 -0.188 0.000 1.175 688 A CA 1.429 53.320 52.037 -0.243 0.000 0.628 688 A CB -0.872 18.046 19.000 -0.136 0.000 0.814 688 A HN 0.545 nan 8.150 nan 0.000 0.444 689 Y N 0.546 120.677 120.300 -0.281 0.000 2.114 689 Y HA -0.206 4.374 4.550 0.050 0.000 0.284 689 Y C 2.402 178.166 175.900 -0.225 0.000 1.143 689 Y CA 2.345 60.313 58.100 -0.221 0.000 1.135 689 Y CB -0.292 38.054 38.460 -0.190 0.000 0.980 689 Y HN 0.308 nan 8.280 nan 0.000 0.499 690 K N -0.628 119.643 120.400 -0.215 0.000 2.113 690 K HA -0.243 4.107 4.320 0.050 0.000 0.208 690 K C 1.151 177.617 176.600 -0.222 0.000 1.047 690 K CA 2.107 58.240 56.287 -0.256 0.000 0.928 690 K CB -0.453 31.844 32.500 -0.337 0.000 0.716 690 K HN 0.601 nan 8.250 nan 0.000 0.446 691 H N 0.145 119.091 119.070 -0.206 0.000 2.536 691 H HA 0.174 4.761 4.556 0.051 0.000 0.276 691 H C 0.097 175.262 175.328 -0.272 0.000 1.019 691 H CA 0.251 56.174 56.048 -0.209 0.000 1.159 691 H CB 0.145 29.784 29.762 -0.205 0.000 1.373 691 H HN 0.131 nan 8.280 nan 0.000 0.584 692 L N -0.376 120.692 121.223 -0.258 0.000 4.560 692 L HA -0.268 4.102 4.340 0.050 0.000 0.415 692 L C -0.259 176.352 176.870 -0.431 0.000 1.123 692 L CA 0.555 55.157 54.840 -0.397 0.000 0.991 692 L CB -1.653 40.156 42.059 -0.417 0.000 2.127 692 L HN 0.295 nan 8.230 nan 0.000 0.765 693 K N 1.060 121.273 120.400 -0.312 0.000 2.218 693 K HA 0.430 4.780 4.320 0.050 0.000 0.276 693 K C -2.127 174.338 176.600 -0.226 0.000 1.022 693 K CA -1.733 54.392 56.287 -0.271 0.000 0.946 693 K CB 0.570 32.965 32.500 -0.176 0.000 1.000 693 K HN -0.206 nan 8.250 nan 0.000 0.468 694 P HA 0.065 nan 4.420 nan 0.000 0.268 694 P C -0.725 176.509 177.300 -0.110 0.000 1.205 694 P CA 0.359 63.358 63.100 -0.168 0.000 0.771 694 P CB 0.470 32.069 31.700 -0.169 0.000 0.858 695 I N 1.561 122.079 120.570 -0.087 0.000 2.582 695 I HA 0.623 4.823 4.170 0.050 0.000 0.292 695 I C -0.440 175.628 176.117 -0.082 0.000 1.066 695 I CA -0.881 60.388 61.300 -0.053 0.000 1.053 695 I CB 2.269 40.266 38.000 -0.005 0.000 1.241 695 I HN 0.261 nan 8.210 nan 0.000 0.421 696 A N 7.478 130.257 122.820 -0.069 0.000 2.343 696 A HA 0.899 5.249 4.320 0.050 0.000 0.308 696 A C -1.174 176.500 177.584 0.151 0.000 1.092 696 A CA -0.428 51.544 52.037 -0.110 0.000 0.751 696 A CB 1.050 19.799 19.000 -0.419 0.000 1.203 696 A HN 0.654 nan 8.150 nan 0.000 0.452 697 L N 2.108 123.481 121.223 0.250 0.000 2.376 697 L HA 0.736 5.106 4.340 0.050 0.000 0.275 697 L C 0.220 177.300 176.870 0.349 0.000 0.987 697 L CA -0.560 54.443 54.840 0.271 0.000 0.828 697 L CB 2.025 44.190 42.059 0.176 0.000 1.249 697 L HN 0.779 nan 8.230 nan 0.000 0.409 698 A N 2.166 125.100 122.820 0.190 0.000 2.317 698 A HA 0.841 5.191 4.320 0.050 0.000 0.327 698 A C 0.720 178.295 177.584 -0.014 0.000 1.178 698 A CA 0.265 52.279 52.037 -0.038 0.000 0.817 698 A CB 1.175 19.981 19.000 -0.323 0.000 1.189 698 A HN 0.981 nan 8.150 nan 0.000 0.489 699 G N 1.902 110.682 108.800 -0.034 0.000 2.685 699 G HA2 -0.381 3.610 3.960 0.050 0.000 0.329 699 G HA3 -0.381 3.610 3.960 0.050 0.000 0.329 699 G C 0.634 175.535 174.900 0.002 0.000 1.271 699 G CA 1.148 46.235 45.100 -0.021 0.000 1.003 699 G HN 0.731 nan 8.290 nan 0.000 0.549 700 D N 1.387 121.784 120.400 -0.005 0.000 2.378 700 D HA 0.305 4.975 4.640 0.050 0.000 0.222 700 D C 2.562 178.858 176.300 -0.006 0.000 0.980 700 D CA 1.466 55.456 54.000 -0.017 0.000 0.907 700 D CB -0.577 40.207 40.800 -0.028 0.000 0.899 700 D HN 0.720 nan 8.370 nan 0.000 0.527 701 A N 0.300 123.157 122.820 0.063 0.000 2.070 701 A HA -0.150 4.200 4.320 0.050 0.000 0.220 701 A C 2.003 179.690 177.584 0.172 0.000 1.159 701 A CA 0.716 52.864 52.037 0.184 0.000 0.656 701 A CB -0.318 18.813 19.000 0.218 0.000 0.800 701 A HN 0.147 nan 8.150 nan 0.000 0.453 702 R N -0.610 119.942 120.500 0.086 0.000 2.293 702 R HA -0.096 4.274 4.340 0.050 0.000 0.219 702 R C 1.379 177.682 176.300 0.006 0.000 1.091 702 R CA 1.064 57.202 56.100 0.063 0.000 1.004 702 R CB -0.127 30.200 30.300 0.044 0.000 0.865 702 R HN 0.218 nan 8.270 nan 0.000 0.469 703 K N -0.008 120.346 120.400 -0.076 0.000 2.280 703 K HA -0.081 4.269 4.320 0.050 0.000 0.202 703 K C 1.169 177.636 176.600 -0.222 0.000 1.047 703 K CA 1.170 57.347 56.287 -0.182 0.000 0.942 703 K CB -0.208 32.120 32.500 -0.286 0.000 0.739 703 K HN 0.180 nan 8.250 nan 0.000 0.457 704 F N 0.779 120.704 119.950 -0.042 0.000 2.502 704 F HA -0.075 4.483 4.527 0.051 0.000 0.298 704 F C 1.697 177.446 175.800 -0.084 0.000 1.111 704 F CA 0.629 58.592 58.000 -0.062 0.000 1.445 704 F CB -0.002 38.961 39.000 -0.061 0.000 1.081 704 F HN -0.043 nan 8.300 nan 0.000 0.558 705 K N 0.264 120.705 120.400 0.067 0.000 2.218 705 K HA -0.197 4.153 4.320 0.050 0.000 0.205 705 K C 2.212 178.783 176.600 -0.049 0.000 1.046 705 K CA 1.099 57.379 56.287 -0.011 0.000 0.933 705 K CB -0.294 32.197 32.500 -0.014 0.000 0.728 705 K HN 0.265 nan 8.250 nan 0.000 0.454 706 A N 0.459 123.258 122.820 -0.035 0.000 2.014 706 A HA -0.085 4.265 4.320 0.050 0.000 0.218 706 A C 1.978 179.533 177.584 -0.048 0.000 1.163 706 A CA 1.514 53.522 52.037 -0.048 0.000 0.652 706 A CB -0.438 18.532 19.000 -0.051 0.000 0.808 706 A HN 0.232 nan 8.150 nan 0.000 0.449 707 T N 0.553 115.094 114.554 -0.021 0.000 3.023 707 T HA 0.031 4.411 4.350 0.050 0.000 0.266 707 T C 1.388 176.021 174.700 -0.112 0.000 1.093 707 T CA 1.265 63.350 62.100 -0.025 0.000 1.129 707 T CB -0.382 68.516 68.868 0.051 0.000 0.899 707 T HN 0.715 nan 8.240 nan 0.000 0.491 708 I N -2.190 118.258 120.570 -0.204 0.000 3.914 708 I HA 0.390 4.590 4.170 0.050 0.000 0.333 708 I C -0.455 175.409 176.117 -0.421 0.000 1.449 708 I CA -0.596 60.438 61.300 -0.444 0.000 1.135 708 I CB -0.039 37.496 38.000 -0.774 0.000 1.073 708 I HN -0.178 nan 8.210 nan 0.000 0.401 709 K N 1.720 121.995 120.400 -0.209 0.000 3.077 709 K HA -0.130 4.220 4.320 0.050 0.000 0.264 709 K C -0.219 176.311 176.600 -0.116 0.000 1.008 709 K CA 0.575 56.785 56.287 -0.128 0.000 0.740 709 K CB -1.897 30.552 32.500 -0.084 0.000 1.273 709 K HN 0.470 nan 8.250 nan 0.000 0.477 710 I N 0.505 121.000 120.570 -0.125 0.000 2.371 710 I HA 0.218 4.418 4.170 0.050 0.000 0.290 710 I C 1.395 177.490 176.117 -0.037 0.000 1.028 710 I CA -0.923 60.332 61.300 -0.074 0.000 1.345 710 I CB 0.780 38.735 38.000 -0.074 0.000 1.407 710 I HN 0.245 nan 8.210 nan 0.000 0.501 711 A N 5.138 127.948 122.820 -0.016 0.000 2.466 711 A HA 0.071 4.421 4.320 0.050 0.000 0.238 711 A C 1.150 178.729 177.584 -0.008 0.000 1.074 711 A CA -0.219 51.812 52.037 -0.010 0.000 0.774 711 A CB 0.113 19.113 19.000 -0.001 0.000 1.015 711 A HN 0.764 nan 8.150 nan 0.000 0.498 712 D N 0.601 120.997 120.400 -0.007 0.000 2.149 712 D HA -0.214 4.456 4.640 0.050 0.000 0.194 712 D C 1.971 178.271 176.300 0.001 0.000 1.001 712 D CA 2.298 56.295 54.000 -0.005 0.000 0.849 712 D CB -0.172 40.625 40.800 -0.005 0.000 0.939 712 D HN 0.825 nan 8.370 nan 0.000 0.449 713 Q N 0.033 119.834 119.800 0.002 0.000 2.488 713 Q HA 0.262 4.632 4.340 0.050 0.000 0.211 713 Q C 1.119 177.123 176.000 0.006 0.000 0.967 713 Q CA 0.696 56.501 55.803 0.005 0.000 0.926 713 Q CB 0.103 28.844 28.738 0.004 0.000 0.992 713 Q HN 0.158 nan 8.270 nan 0.000 0.506 714 G N 0.533 109.336 108.800 0.006 0.000 2.685 714 G HA2 -0.210 3.780 3.960 0.050 0.000 0.387 714 G HA3 -0.210 3.780 3.960 0.050 0.000 0.387 714 G C -1.326 173.580 174.900 0.010 0.000 1.324 714 G CA -0.292 44.813 45.100 0.008 0.000 0.878 714 G HN 0.325 nan 8.290 nan 0.000 0.527 715 E N -0.630 119.577 120.200 0.011 0.000 2.354 715 E HA 0.392 4.772 4.350 0.050 0.000 0.283 715 E C -0.557 176.042 176.600 -0.002 0.000 0.938 715 E CA -0.789 55.620 56.400 0.016 0.000 0.777 715 E CB 1.049 30.777 29.700 0.047 0.000 1.222 715 E HN 0.453 nan 8.360 nan 0.000 0.423 716 E N 1.538 121.729 120.200 -0.015 0.000 2.558 716 E HA 0.138 4.518 4.350 0.050 0.000 0.255 716 E C 0.741 177.303 176.600 -0.064 0.000 0.968 716 E CA 1.637 58.012 56.400 -0.041 0.000 0.939 716 E CB 0.998 30.673 29.700 -0.042 0.000 0.921 716 E HN 0.879 nan 8.360 nan 0.000 0.477 717 G N 3.121 111.870 108.800 -0.086 0.000 2.213 717 G HA2 -0.201 3.789 3.960 0.050 0.000 0.226 717 G HA3 -0.201 3.789 3.960 0.050 0.000 0.226 717 G C 0.153 175.003 174.900 -0.083 0.000 0.992 717 G CA -0.346 44.682 45.100 -0.119 0.000 0.632 717 G HN 0.416 nan 8.290 nan 0.000 0.511 718 I N 2.056 122.599 120.570 -0.045 0.000 2.382 718 I HA 0.489 4.689 4.170 0.050 0.000 0.286 718 I C 0.351 176.428 176.117 -0.067 0.000 1.002 718 I CA -1.130 60.151 61.300 -0.031 0.000 1.135 718 I CB 1.338 39.350 38.000 0.020 0.000 1.288 718 I HN -0.109 nan 8.210 nan 0.000 0.448 719 V N 7.498 127.333 119.914 -0.132 0.000 2.465 719 V HA 0.389 4.539 4.120 0.050 0.000 0.279 719 V C 0.187 176.221 176.094 -0.100 0.000 1.045 719 V CA -0.414 61.760 62.300 -0.210 0.000 0.938 719 V CB 1.317 32.853 31.823 -0.477 0.000 0.986 719 V HN 0.854 nan 8.190 nan 0.000 0.467 720 E N 4.309 124.531 120.200 0.036 0.000 2.343 720 E HA 0.872 5.252 4.350 0.050 0.000 0.278 720 E C -1.042 175.707 176.600 0.248 0.000 0.910 720 E CA -0.984 55.536 56.400 0.200 0.000 0.757 720 E CB 2.567 32.335 29.700 0.113 0.000 1.218 720 E HN 0.756 nan 8.360 nan 0.000 0.435 721 A N 1.955 124.954 122.820 0.299 0.000 2.601 721 A HA 0.372 4.722 4.320 0.050 0.000 0.291 721 A C -0.357 177.255 177.584 0.045 0.000 1.075 721 A CA -0.623 51.514 52.037 0.166 0.000 0.671 721 A CB 1.360 20.492 19.000 0.219 0.000 1.277 721 A HN 0.599 nan 8.150 nan 0.000 0.417 722 D N 0.493 120.897 120.400 0.007 0.000 2.158 722 D HA -0.041 4.629 4.640 0.050 0.000 0.197 722 D C 1.141 177.388 176.300 -0.088 0.000 0.995 722 D CA 2.561 56.543 54.000 -0.029 0.000 0.846 722 D CB 0.061 40.847 40.800 -0.023 0.000 0.941 722 D HN 0.835 nan 8.370 nan 0.000 0.456 723 S N -2.343 113.268 115.700 -0.149 0.000 2.671 723 S HA 0.647 5.148 4.470 0.050 0.000 0.277 723 S C -0.024 174.260 174.600 -0.526 0.000 1.165 723 S CA -0.361 57.680 58.200 -0.264 0.000 0.822 723 S CB 1.692 64.792 63.200 -0.167 0.000 1.150 723 S HN -0.038 nan 8.310 nan 0.000 0.479 724 A N 0.966 123.398 122.820 -0.647 0.000 2.281 724 A HA 0.312 4.662 4.320 0.050 0.000 0.231 724 A C 0.603 178.017 177.584 -0.283 0.000 1.317 724 A CA 0.367 51.886 52.037 -0.864 0.000 0.959 724 A CB -2.155 16.470 19.000 -0.625 0.000 0.900 724 A HN 0.984 nan 8.150 nan 0.000 0.497 725 D N -1.079 119.226 120.400 -0.158 0.000 2.123 725 D HA 0.043 4.713 4.640 0.050 0.000 0.230 725 D C 1.364 177.705 176.300 0.069 0.000 1.406 725 D CA 0.796 54.783 54.000 -0.021 0.000 0.896 725 D CB -0.026 40.776 40.800 0.002 0.000 1.365 725 D HN 0.022 nan 8.370 nan 0.000 0.543 726 G N -1.490 107.346 108.800 0.060 0.000 2.394 726 G HA2 -0.240 3.750 3.960 0.050 0.000 0.215 726 G HA3 -0.240 3.750 3.960 0.050 0.000 0.215 726 G C 1.623 176.576 174.900 0.088 0.000 1.165 726 G CA 0.926 46.066 45.100 0.067 0.000 0.784 726 G HN 0.565 nan 8.290 nan 0.000 0.535 727 S N -0.041 115.712 115.700 0.089 0.000 2.368 727 S HA -0.138 4.363 4.470 0.050 0.000 0.225 727 S C 2.125 176.796 174.600 0.119 0.000 1.030 727 S CA 1.488 59.738 58.200 0.083 0.000 0.999 727 S CB -0.470 62.769 63.200 0.066 0.000 0.844 727 S HN 0.349 nan 8.310 nan 0.000 0.459 728 F N 2.070 122.018 119.950 -0.003 0.000 2.091 728 F HA -0.113 4.444 4.527 0.050 0.000 0.299 728 F C 2.186 177.983 175.800 -0.006 0.000 1.103 728 F CA 2.012 60.009 58.000 -0.004 0.000 1.228 728 F CB -0.334 38.665 39.000 -0.002 0.000 0.984 728 F HN 0.208 nan 8.300 nan 0.000 0.477 729 M N 0.132 119.899 119.600 0.279 0.000 2.175 729 M HA -0.158 4.353 4.480 0.050 0.000 0.264 729 M C 1.783 178.088 176.300 0.008 0.000 1.063 729 M CA 1.336 56.711 55.300 0.125 0.000 1.119 729 M CB -1.362 31.335 32.600 0.162 0.000 1.377 729 M HN 0.131 nan 8.290 nan 0.000 0.415 730 D N 0.543 120.955 120.400 0.021 0.000 2.117 730 D HA -0.141 4.529 4.640 0.050 0.000 0.197 730 D C 1.996 178.272 176.300 -0.039 0.000 0.987 730 D CA 1.155 55.153 54.000 -0.004 0.000 0.829 730 D CB -0.137 40.668 40.800 0.009 0.000 0.961 730 D HN 0.467 nan 8.370 nan 0.000 0.460 731 E N 0.306 120.469 120.200 -0.062 0.000 2.051 731 E HA -0.135 4.245 4.350 0.050 0.000 0.192 731 E C 2.126 178.640 176.600 -0.142 0.000 0.991 731 E CA 0.270 56.611 56.400 -0.099 0.000 0.799 731 E CB -0.096 29.529 29.700 -0.124 0.000 0.748 731 E HN 0.154 nan 8.360 nan 0.000 0.449 732 L N 1.132 122.231 121.223 -0.207 0.000 2.017 732 L HA -0.185 4.185 4.340 0.050 0.000 0.208 732 L C 2.195 178.993 176.870 -0.120 0.000 1.073 732 L CA 1.627 56.342 54.840 -0.209 0.000 0.745 732 L CB -0.528 41.366 42.059 -0.275 0.000 0.894 732 L HN 0.236 nan 8.230 nan 0.000 0.432 733 L N -0.597 120.578 121.223 -0.081 0.000 2.141 733 L HA -0.199 4.171 4.340 0.050 0.000 0.209 733 L C 2.460 179.304 176.870 -0.044 0.000 1.094 733 L CA 1.446 56.257 54.840 -0.049 0.000 0.763 733 L CB -0.755 41.287 42.059 -0.029 0.000 0.908 733 L HN 0.259 nan 8.230 nan 0.000 0.437 734 T N 0.283 114.807 114.554 -0.049 0.000 2.708 734 T HA -0.177 4.203 4.350 0.050 0.000 0.266 734 T C 1.958 176.625 174.700 -0.055 0.000 1.037 734 T CA 1.287 63.362 62.100 -0.040 0.000 1.146 734 T CB -0.261 68.585 68.868 -0.036 0.000 0.865 734 T HN 0.197 nan 8.240 nan 0.000 0.435 735 L N 0.226 121.396 121.223 -0.087 0.000 2.042 735 L HA -0.095 4.275 4.340 0.050 0.000 0.210 735 L C 2.718 179.521 176.870 -0.111 0.000 1.076 735 L CA 1.361 56.129 54.840 -0.120 0.000 0.749 735 L CB -0.551 41.416 42.059 -0.153 0.000 0.893 735 L HN 0.309 nan 8.230 nan 0.000 0.432 736 M N -0.809 118.741 119.600 -0.082 0.000 2.229 736 M HA -0.156 4.354 4.480 0.050 0.000 0.264 736 M C 2.422 178.722 176.300 -0.000 0.000 1.063 736 M CA 1.593 56.863 55.300 -0.049 0.000 1.114 736 M CB -0.453 32.126 32.600 -0.035 0.000 1.387 736 M HN 0.312 nan 8.290 nan 0.000 0.420 737 A N 0.194 123.015 122.820 0.002 0.000 2.070 737 A HA 0.053 4.403 4.320 0.050 0.000 0.220 737 A C 2.117 179.744 177.584 0.070 0.000 1.159 737 A CA 1.693 53.752 52.037 0.037 0.000 0.656 737 A CB -0.575 18.441 19.000 0.026 0.000 0.800 737 A HN 0.500 nan 8.150 nan 0.000 0.453 738 A N -2.858 119.982 122.820 0.033 0.000 2.308 738 A HA 0.388 4.738 4.320 0.050 0.000 0.217 738 A C 0.897 178.502 177.584 0.036 0.000 1.216 738 A CA 1.167 53.235 52.037 0.052 0.000 0.864 738 A CB -0.369 18.619 19.000 -0.022 0.000 0.902 738 A HN 0.922 nan 8.150 nan 0.000 0.499 739 H N -1.227 117.781 119.070 -0.104 0.000 4.884 739 H HA -0.180 4.406 4.556 0.050 0.000 0.061 739 H C 0.091 175.198 175.328 -0.368 0.000 0.590 739 H CA 2.369 58.339 56.048 -0.131 0.000 0.961 739 H CB -0.591 29.202 29.762 0.051 0.000 0.443 739 H HN 0.449 nan 8.280 nan 0.000 0.794 740 R N -0.385 119.535 120.500 -0.967 0.000 2.836 740 R HA 0.628 4.998 4.340 0.050 0.000 0.269 740 R C -0.699 174.755 176.300 -1.410 0.000 1.010 740 R CA -0.286 55.017 56.100 -1.329 0.000 0.930 740 R CB 1.733 30.916 30.300 -1.861 0.000 1.218 740 R HN 0.065 nan 8.270 nan 0.000 0.473 741 V N 2.238 121.539 119.914 -1.022 0.000 2.218 741 V HA 0.125 4.275 4.120 0.050 0.000 0.261 741 V C 0.615 176.329 176.094 -0.633 0.000 1.142 741 V CA -0.440 61.439 62.300 -0.701 0.000 0.965 741 V CB -0.145 31.408 31.823 -0.448 0.000 1.190 741 V HN 0.713 nan 8.190 nan 0.000 0.478 742 W N 1.524 122.531 121.300 -0.489 0.000 2.392 742 W HA -0.170 4.520 4.660 0.050 0.000 0.279 742 W C 2.525 178.813 176.519 -0.386 0.000 1.225 742 W CA 0.819 57.769 57.345 -0.657 0.000 1.233 742 W CB -0.362 28.266 29.460 -1.388 0.000 1.122 742 W HN 0.650 nan 8.180 nan 0.000 0.561 743 S N 0.804 116.447 115.700 -0.094 0.000 2.500 743 S HA -0.180 4.320 4.470 0.050 0.000 0.239 743 S C 1.708 176.265 174.600 -0.071 0.000 0.989 743 S CA 0.992 59.160 58.200 -0.054 0.000 0.951 743 S CB -0.440 62.732 63.200 -0.047 0.000 0.759 743 S HN 0.414 nan 8.310 nan 0.000 0.523 744 R N 0.595 121.010 120.500 -0.141 0.000 2.275 744 R HA 0.242 4.612 4.340 0.050 0.000 0.199 744 R C 1.795 178.024 176.300 -0.118 0.000 0.989 744 R CA 0.443 56.440 56.100 -0.173 0.000 1.016 744 R CB -0.361 29.725 30.300 -0.357 0.000 0.918 744 R HN 0.487 nan 8.270 nan 0.000 0.473 745 I N 1.594 122.134 120.570 -0.050 0.000 2.151 745 I HA -0.226 3.974 4.170 0.050 0.000 0.243 745 I C -0.834 175.303 176.117 0.033 0.000 1.080 745 I CA 1.347 62.660 61.300 0.021 0.000 1.339 745 I CB -0.815 37.248 38.000 0.105 0.000 1.039 745 I HN 0.143 nan 8.210 nan 0.000 0.409 746 P HA -0.137 nan 4.420 nan 0.000 0.225 746 P C 1.076 178.403 177.300 0.045 0.000 1.148 746 P CA 1.263 64.389 63.100 0.045 0.000 0.779 746 P CB -0.038 31.686 31.700 0.041 0.000 0.780 747 K N -0.419 120.002 120.400 0.035 0.000 2.314 747 K HA 0.100 4.450 4.320 0.050 0.000 0.198 747 K C 1.977 178.639 176.600 0.102 0.000 1.045 747 K CA 0.694 57.028 56.287 0.077 0.000 0.988 747 K CB -0.276 32.297 32.500 0.122 0.000 0.783 747 K HN 0.299 nan 8.250 nan 0.000 0.484 748 I N -0.987 119.611 120.570 0.046 0.000 2.676 748 I HA -0.120 4.080 4.170 0.050 0.000 0.259 748 I C 1.041 177.201 176.117 0.072 0.000 1.194 748 I CA 1.232 62.565 61.300 0.056 0.000 1.473 748 I CB -0.204 37.780 38.000 -0.027 0.000 1.096 748 I HN -0.155 nan 8.210 nan 0.000 0.443 749 D N 2.293 122.734 120.400 0.070 0.000 2.228 749 D HA -0.179 4.492 4.640 0.050 0.000 0.203 749 D C 1.967 178.306 176.300 0.066 0.000 0.988 749 D CA 1.445 55.487 54.000 0.071 0.000 0.864 749 D CB -0.048 40.794 40.800 0.070 0.000 0.928 749 D HN 0.468 nan 8.370 nan 0.000 0.469 750 K N -0.158 120.282 120.400 0.066 0.000 2.314 750 K HA 0.186 4.536 4.320 0.050 0.000 0.198 750 K C 0.949 177.581 176.600 0.053 0.000 1.045 750 K CA -0.145 56.176 56.287 0.056 0.000 0.988 750 K CB 0.666 33.196 32.500 0.051 0.000 0.783 750 K HN 0.147 nan 8.250 nan 0.000 0.484 751 I N 3.872 124.482 120.570 0.067 0.000 2.517 751 I HA 0.051 4.251 4.170 0.050 0.000 0.285 751 I C -2.207 173.940 176.117 0.049 0.000 1.106 751 I CA -2.110 59.223 61.300 0.056 0.000 1.402 751 I CB 0.782 38.836 38.000 0.090 0.000 1.399 751 I HN -0.002 nan 8.210 nan 0.000 0.535 752 P HA 0.373 nan 4.420 nan 0.000 0.262 752 P C -1.001 176.357 177.300 0.096 0.000 1.620 752 P CA -0.106 63.031 63.100 0.061 0.000 1.089 752 P CB 0.677 32.409 31.700 0.053 0.000 1.601 753 A N 0.000 122.879 122.820 0.098 0.000 2.254 753 A HA 0.000 4.350 4.320 0.050 0.000 0.244 753 A CA 0.000 52.141 52.037 0.173 0.000 0.836 753 A CB 0.000 18.967 19.000 -0.056 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486