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 1hy1_1_C DATA FIRST_RESID 16 DATA SEQUENCE STDPIMEKLN SSIAYDQRLS EVDIQGSMAY AKALEKAGIL TKTELEKILS DATA SEQUENCE GLEKISEEWS KGVFVVKQSD EDIHTANERR LKELIGDIAG KLHTGRSRND DATA SEQUENCE QVVTDLKLFM KNSLSIISTH LLQLIKTLVE RAAIEIDVIL PGYTHLQKAQ DATA SEQUENCE PIRWSQFLLS HAVALTRDSE RLGEVKKRIN VLPLGSGALA GNPLDIDREM DATA SEQUENCE LRSELEFASI SLNSMDAISE RDFVVEFLSF ATLLMIHLSK MAEDLIIYST DATA SEQUENCE SEFGFLTLSD AFSTGSSLMP QKKNPDSLEL IRSKAGRVFG RLASILMVLK DATA SEQUENCE GLPSTYNKDL QEDKEAVFDV VDTLTAVLQV ATGVISTLQI SKENMEKALT DATA SEQUENCE PEMLATDLAL YLVRKGVPFR QAHTASGKAV HLAETKGITI NKLSLEDLKS DATA SEQUENCE ISPQFSSDVS QVFNFVNSVE QYTALAGTAK SSVTTQIEQL RELMKKQKE 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.603 174.600 0.004 0.000 1.055 16 S CA 0.000 58.202 58.200 0.004 0.000 1.107 16 S CB 0.000 63.202 63.200 0.003 0.000 0.593 17 T N -1.606 112.951 114.554 0.005 0.000 3.477 17 T HA 0.296 4.646 4.350 0.000 0.000 0.277 17 T C 0.231 174.935 174.700 0.007 0.000 1.090 17 T CA -0.468 61.635 62.100 0.006 0.000 1.635 17 T CB 0.716 69.588 68.868 0.006 0.000 0.817 17 T HN 0.211 nan 8.240 nan 0.000 0.609 18 D N 2.829 123.233 120.400 0.008 0.000 2.117 18 D HA -0.031 4.609 4.640 0.000 0.000 0.197 18 D C -0.049 176.257 176.300 0.010 0.000 0.987 18 D CA 1.387 55.392 54.000 0.009 0.000 0.829 18 D CB -0.280 40.525 40.800 0.009 0.000 0.961 18 D HN 0.431 nan 8.370 nan 0.000 0.460 19 P HA -0.114 nan 4.420 nan 0.000 0.216 19 P C 1.807 179.114 177.300 0.013 0.000 1.153 19 P CA 1.029 64.136 63.100 0.012 0.000 0.848 19 P CB -0.096 31.610 31.700 0.011 0.000 0.787 20 I N -1.188 119.389 120.570 0.012 0.000 2.493 20 I HA -0.199 3.971 4.170 0.000 0.000 0.254 20 I C 2.633 178.759 176.117 0.014 0.000 1.160 20 I CA 1.088 62.395 61.300 0.013 0.000 1.445 20 I CB -0.475 37.531 38.000 0.011 0.000 1.086 20 I HN -0.061 nan 8.210 nan 0.000 0.433 21 M N 1.142 120.749 119.600 0.012 0.000 2.099 21 M HA -0.239 4.242 4.480 0.000 0.000 0.262 21 M C 2.187 178.496 176.300 0.016 0.000 1.067 21 M CA 1.919 57.227 55.300 0.013 0.000 1.124 21 M CB -0.578 32.028 32.600 0.011 0.000 1.353 21 M HN 0.171 nan 8.290 nan 0.000 0.410 22 E N -0.110 120.100 120.200 0.016 0.000 2.160 22 E HA -0.286 4.065 4.350 0.000 0.000 0.195 22 E C 2.051 178.662 176.600 0.019 0.000 0.991 22 E CA 1.462 57.872 56.400 0.017 0.000 0.810 22 E CB -0.228 29.481 29.700 0.016 0.000 0.742 22 E HN 0.662 nan 8.360 nan 0.000 0.466 23 K N 0.354 120.766 120.400 0.021 0.000 2.097 23 K HA -0.118 4.202 4.320 0.000 0.000 0.206 23 K C 2.243 178.864 176.600 0.035 0.000 1.049 23 K CA 1.042 57.345 56.287 0.027 0.000 0.933 23 K CB -0.038 32.477 32.500 0.026 0.000 0.717 23 K HN 0.205 nan 8.250 nan 0.000 0.442 24 L N 0.464 121.706 121.223 0.031 0.000 2.141 24 L HA -0.159 4.182 4.340 0.000 0.000 0.209 24 L C 1.711 178.607 176.870 0.045 0.000 1.094 24 L CA 1.323 56.186 54.840 0.038 0.000 0.763 24 L CB -0.390 41.684 42.059 0.024 0.000 0.908 24 L HN 0.309 nan 8.230 nan 0.000 0.437 25 N N -0.935 117.784 118.700 0.031 0.000 2.409 25 N HA -0.080 4.660 4.740 0.000 0.000 0.179 25 N C 0.835 176.351 175.510 0.010 0.000 1.032 25 N CA -0.094 52.971 53.050 0.025 0.000 0.898 25 N CB 0.193 38.691 38.487 0.018 0.000 0.971 25 N HN 0.071 nan 8.380 nan 0.000 0.441 26 S N 0.109 115.815 115.700 0.011 0.000 2.537 26 S HA 0.056 4.527 4.470 0.000 0.000 0.286 26 S C 1.001 175.562 174.600 -0.065 0.000 1.299 26 S CA -0.188 57.999 58.200 -0.021 0.000 1.067 26 S CB 0.486 63.686 63.200 0.001 0.000 0.864 26 S HN 0.343 nan 8.310 nan 0.000 0.494 27 S N 4.229 119.794 115.700 -0.225 0.000 2.679 27 S HA 0.051 4.521 4.470 0.000 0.000 0.258 27 S C 1.361 175.503 174.600 -0.762 0.000 1.068 27 S CA 0.081 57.889 58.200 -0.654 0.000 1.115 27 S CB -0.542 62.379 63.200 -0.464 0.000 1.078 27 S HN 0.668 nan 8.310 nan 0.000 0.603 28 I N 3.743 124.110 120.570 -0.339 0.000 2.300 28 I HA -0.103 4.067 4.170 0.000 0.000 0.252 28 I C 2.307 178.321 176.117 -0.172 0.000 1.119 28 I CA 1.409 62.589 61.300 -0.199 0.000 1.384 28 I CB -0.729 37.241 38.000 -0.050 0.000 1.062 28 I HN 0.409 nan 8.210 nan 0.000 0.426 29 A N -0.485 122.236 122.820 -0.165 0.000 2.070 29 A HA -0.167 4.153 4.320 0.000 0.000 0.220 29 A C 1.850 179.464 177.584 0.050 0.000 1.159 29 A CA 1.930 53.958 52.037 -0.015 0.000 0.656 29 A CB -0.895 18.150 19.000 0.074 0.000 0.800 29 A HN 0.794 nan 8.150 nan 0.000 0.453 30 Y N -2.513 117.811 120.300 0.040 0.000 2.476 30 Y HA 0.281 4.831 4.550 0.000 0.000 0.261 30 Y C 0.660 176.572 175.900 0.020 0.000 1.077 30 Y CA -0.340 57.786 58.100 0.043 0.000 1.240 30 Y CB -0.308 38.223 38.460 0.119 0.000 1.317 30 Y HN 0.245 nan 8.280 nan 0.000 0.540 31 D N 0.320 120.619 120.400 -0.168 0.000 2.328 31 D HA -0.021 4.619 4.640 0.000 0.000 0.221 31 D C 1.100 177.255 176.300 -0.241 0.000 1.072 31 D CA 0.219 54.189 54.000 -0.049 0.000 0.850 31 D CB -0.149 40.579 40.800 -0.121 0.000 0.922 31 D HN 0.496 nan 8.370 nan 0.000 0.516 32 Q N 0.268 119.904 119.800 -0.272 0.000 2.439 32 Q HA -0.093 4.247 4.340 0.000 0.000 0.211 32 Q C 1.770 177.448 176.000 -0.537 0.000 0.978 32 Q CA 0.808 56.354 55.803 -0.428 0.000 0.897 32 Q CB -0.151 28.468 28.738 -0.197 0.000 0.956 32 Q HN 0.525 nan 8.270 nan 0.000 0.483 33 R N -0.370 119.861 120.500 -0.449 0.000 2.323 33 R HA -0.023 4.317 4.340 0.000 0.000 0.198 33 R C 0.911 176.964 176.300 -0.412 0.000 0.988 33 R CA 0.451 56.296 56.100 -0.425 0.000 1.041 33 R CB 0.063 30.047 30.300 -0.526 0.000 0.926 33 R HN 0.099 nan 8.270 nan 0.000 0.476 34 L N 1.742 122.712 121.223 -0.423 0.000 2.607 34 L HA 0.106 4.446 4.340 0.000 0.000 0.228 34 L C 2.048 178.732 176.870 -0.309 0.000 1.123 34 L CA 0.715 55.390 54.840 -0.275 0.000 0.890 34 L CB 0.464 42.429 42.059 -0.157 0.000 1.103 34 L HN 0.299 nan 8.230 nan 0.000 0.468 35 S N -0.255 115.096 115.700 -0.582 0.000 2.369 35 S HA -0.295 4.175 4.470 0.000 0.000 0.225 35 S C 1.949 176.299 174.600 -0.417 0.000 1.043 35 S CA 1.689 59.405 58.200 -0.807 0.000 1.074 35 S CB -0.387 61.736 63.200 -1.796 0.000 0.962 35 S HN 0.415 nan 8.310 nan 0.000 0.433 36 E N 1.396 121.427 120.200 -0.282 0.000 2.150 36 E HA -0.084 4.266 4.350 0.000 0.000 0.193 36 E C 2.059 178.621 176.600 -0.063 0.000 0.985 36 E CA 1.466 57.796 56.400 -0.116 0.000 0.814 36 E CB -0.557 29.107 29.700 -0.060 0.000 0.752 36 E HN 0.647 nan 8.360 nan 0.000 0.466 37 V N -0.935 118.951 119.914 -0.046 0.000 2.548 37 V HA -0.116 4.005 4.120 0.000 0.000 0.249 37 V C 2.103 178.189 176.094 -0.014 0.000 1.055 37 V CA 1.993 64.295 62.300 0.003 0.000 1.065 37 V CB -0.847 31.018 31.823 0.071 0.000 0.681 37 V HN 0.195 nan 8.190 nan 0.000 0.462 38 D N 0.812 121.180 120.400 -0.054 0.000 2.097 38 D HA -0.152 4.488 4.640 0.000 0.000 0.197 38 D C 1.950 178.211 176.300 -0.065 0.000 0.984 38 D CA 1.924 55.875 54.000 -0.081 0.000 0.826 38 D CB -0.255 40.489 40.800 -0.094 0.000 0.973 38 D HN 0.479 nan 8.370 nan 0.000 0.460 39 I N 0.277 120.818 120.570 -0.049 0.000 2.163 39 I HA -0.264 3.907 4.170 0.000 0.000 0.243 39 I C 2.495 178.619 176.117 0.010 0.000 1.085 39 I CA 0.878 62.176 61.300 -0.004 0.000 1.347 39 I CB -0.377 37.632 38.000 0.015 0.000 1.044 39 I HN 0.179 nan 8.210 nan 0.000 0.408 40 Q N 0.584 120.387 119.800 0.005 0.000 2.061 40 Q HA -0.172 4.169 4.340 0.000 0.000 0.204 40 Q C 2.377 178.398 176.000 0.035 0.000 0.984 40 Q CA 1.979 57.792 55.803 0.017 0.000 0.846 40 Q CB -0.816 27.925 28.738 0.006 0.000 0.902 40 Q HN 0.632 nan 8.270 nan 0.000 0.421 41 G N 0.105 108.922 108.800 0.028 0.000 2.422 41 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 41 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 41 G C 1.649 176.580 174.900 0.052 0.000 1.146 41 G CA 1.027 46.152 45.100 0.041 0.000 0.769 41 G HN 0.304 nan 8.290 nan 0.000 0.547 42 S N 0.243 115.962 115.700 0.032 0.000 2.387 42 S HA 0.010 4.480 4.470 0.000 0.000 0.226 42 S C 2.386 177.050 174.600 0.107 0.000 1.026 42 S CA 1.025 59.269 58.200 0.073 0.000 0.972 42 S CB -0.199 63.027 63.200 0.044 0.000 0.814 42 S HN 0.349 nan 8.310 nan 0.000 0.477 43 M N 1.042 120.686 119.600 0.073 0.000 2.175 43 M HA -0.052 4.428 4.480 0.000 0.000 0.264 43 M C 2.470 178.811 176.300 0.069 0.000 1.063 43 M CA 1.311 56.649 55.300 0.062 0.000 1.119 43 M CB -0.525 32.102 32.600 0.044 0.000 1.377 43 M HN 0.384 nan 8.290 nan 0.000 0.415 44 A N -0.688 122.184 122.820 0.086 0.000 1.930 44 A HA -0.204 4.116 4.320 0.000 0.000 0.217 44 A C 1.988 179.644 177.584 0.120 0.000 1.175 44 A CA 1.288 53.380 52.037 0.092 0.000 0.627 44 A CB -0.951 18.114 19.000 0.108 0.000 0.815 44 A HN 0.570 nan 8.150 nan 0.000 0.443 45 Y N 0.060 120.366 120.300 0.010 0.000 2.263 45 Y HA 0.036 4.587 4.550 0.000 0.000 0.292 45 Y C 2.666 178.571 175.900 0.008 0.000 1.130 45 Y CA 0.916 59.020 58.100 0.006 0.000 1.179 45 Y CB -0.167 38.294 38.460 0.002 0.000 0.998 45 Y HN 0.345 nan 8.280 nan 0.000 0.532 46 A N 0.731 123.588 122.820 0.061 0.000 1.865 46 A HA -0.241 4.079 4.320 0.000 0.000 0.217 46 A C 2.153 179.692 177.584 -0.074 0.000 1.191 46 A CA 2.153 54.181 52.037 -0.015 0.000 0.623 46 A CB -0.632 18.388 19.000 0.033 0.000 0.826 46 A HN 0.475 nan 8.150 nan 0.000 0.444 47 K N -0.403 119.974 120.400 -0.038 0.000 2.034 47 K HA -0.200 4.120 4.320 0.000 0.000 0.214 47 K C 2.257 178.806 176.600 -0.084 0.000 1.051 47 K CA 1.480 57.741 56.287 -0.043 0.000 0.931 47 K CB -0.470 32.021 32.500 -0.016 0.000 0.715 47 K HN 0.456 nan 8.250 nan 0.000 0.446 48 A N 1.050 123.799 122.820 -0.118 0.000 2.024 48 A HA -0.147 4.173 4.320 0.000 0.000 0.220 48 A C 2.021 179.469 177.584 -0.226 0.000 1.164 48 A CA 1.169 53.111 52.037 -0.158 0.000 0.643 48 A CB -0.359 18.538 19.000 -0.171 0.000 0.806 48 A HN 0.155 nan 8.150 nan 0.000 0.451 49 L N -0.426 120.620 121.223 -0.294 0.000 2.217 49 L HA -0.061 4.279 4.340 0.000 0.000 0.211 49 L C 2.370 179.158 176.870 -0.137 0.000 1.107 49 L CA 1.882 56.562 54.840 -0.267 0.000 0.783 49 L CB -0.445 41.450 42.059 -0.274 0.000 0.919 49 L HN 0.518 nan 8.230 nan 0.000 0.442 50 E N 0.057 120.195 120.200 -0.103 0.000 2.051 50 E HA -0.254 4.097 4.350 0.000 0.000 0.189 50 E C 2.136 178.702 176.600 -0.057 0.000 0.979 50 E CA 1.052 57.414 56.400 -0.063 0.000 0.803 50 E CB 0.033 29.705 29.700 -0.046 0.000 0.761 50 E HN 0.447 nan 8.360 nan 0.000 0.451 51 K N 0.115 120.478 120.400 -0.062 0.000 2.209 51 K HA -0.066 4.254 4.320 0.000 0.000 0.204 51 K C 1.651 178.220 176.600 -0.052 0.000 1.048 51 K CA 1.159 57.417 56.287 -0.049 0.000 0.940 51 K CB -0.120 32.352 32.500 -0.047 0.000 0.729 51 K HN 0.084 nan 8.250 nan 0.000 0.451 52 A N -0.051 122.726 122.820 -0.071 0.000 2.251 52 A HA 0.220 4.540 4.320 0.000 0.000 0.209 52 A C 1.440 178.993 177.584 -0.051 0.000 1.187 52 A CA 0.768 52.767 52.037 -0.065 0.000 0.823 52 A CB -0.398 18.546 19.000 -0.092 0.000 0.846 52 A HN 0.558 nan 8.150 nan 0.000 0.486 53 G N -0.103 108.668 108.800 -0.047 0.000 2.257 53 G HA2 -0.323 3.637 3.960 0.000 0.000 0.267 53 G HA3 -0.323 3.637 3.960 0.000 0.000 0.267 53 G C 0.942 175.821 174.900 -0.034 0.000 0.984 53 G CA 0.546 45.626 45.100 -0.035 0.000 0.626 53 G HN 0.370 nan 8.290 nan 0.000 0.540 54 I N 0.382 120.924 120.570 -0.045 0.000 2.423 54 I HA 0.021 4.191 4.170 0.000 0.000 0.254 54 I C 1.443 177.541 176.117 -0.032 0.000 1.151 54 I CA 1.370 62.648 61.300 -0.038 0.000 1.421 54 I CB -0.709 37.259 38.000 -0.052 0.000 1.079 54 I HN 0.275 nan 8.210 nan 0.000 0.431 55 L N 0.269 121.468 121.223 -0.040 0.000 2.386 55 L HA 0.286 4.626 4.340 0.000 0.000 0.271 55 L C 0.339 177.193 176.870 -0.026 0.000 0.993 55 L CA -0.650 54.171 54.840 -0.030 0.000 0.819 55 L CB 1.972 44.010 42.059 -0.036 0.000 1.294 55 L HN 0.020 nan 8.230 nan 0.000 0.414 56 T N -2.144 112.399 114.554 -0.018 0.000 2.904 56 T HA 0.186 4.536 4.350 0.000 0.000 0.290 56 T C 1.084 175.775 174.700 -0.014 0.000 1.018 56 T CA -0.747 61.344 62.100 -0.015 0.000 1.075 56 T CB 1.252 70.113 68.868 -0.011 0.000 0.986 56 T HN 0.772 nan 8.240 nan 0.000 0.523 57 K N 1.358 121.750 120.400 -0.013 0.000 2.077 57 K HA -0.217 4.103 4.320 0.000 0.000 0.213 57 K C 1.987 178.582 176.600 -0.008 0.000 1.051 57 K CA 2.032 58.312 56.287 -0.012 0.000 0.929 57 K CB -1.504 30.990 32.500 -0.010 0.000 0.715 57 K HN 0.591 nan 8.250 nan 0.000 0.451 58 T N 1.280 115.830 114.554 -0.007 0.000 2.746 58 T HA -0.127 4.223 4.350 0.000 0.000 0.267 58 T C 1.700 176.398 174.700 -0.004 0.000 1.039 58 T CA 1.558 63.656 62.100 -0.005 0.000 1.142 58 T CB -0.201 68.664 68.868 -0.004 0.000 0.866 58 T HN 0.379 nan 8.240 nan 0.000 0.444 59 E N 0.257 120.453 120.200 -0.006 0.000 2.130 59 E HA -0.151 4.199 4.350 0.000 0.000 0.196 59 E C 2.025 178.622 176.600 -0.004 0.000 0.998 59 E CA 0.807 57.203 56.400 -0.006 0.000 0.806 59 E CB -0.189 29.506 29.700 -0.008 0.000 0.738 59 E HN 0.245 nan 8.360 nan 0.000 0.459 60 L N 1.315 122.534 121.223 -0.007 0.000 1.973 60 L HA -0.189 4.151 4.340 0.000 0.000 0.208 60 L C 2.286 179.156 176.870 0.001 0.000 1.073 60 L CA 2.116 56.953 54.840 -0.005 0.000 0.746 60 L CB -0.568 41.485 42.059 -0.011 0.000 0.891 60 L HN 0.047 nan 8.230 nan 0.000 0.433 61 E N -0.523 119.677 120.200 0.001 0.000 2.187 61 E HA -0.343 4.007 4.350 0.000 0.000 0.199 61 E C 2.196 178.800 176.600 0.007 0.000 1.004 61 E CA 1.826 58.228 56.400 0.004 0.000 0.813 61 E CB -0.125 29.576 29.700 0.002 0.000 0.736 61 E HN 0.510 nan 8.360 nan 0.000 0.468 62 K N -0.195 120.208 120.400 0.006 0.000 2.228 62 K HA -0.058 4.263 4.320 0.000 0.000 0.202 62 K C 2.000 178.607 176.600 0.013 0.000 1.051 62 K CA 0.527 56.819 56.287 0.008 0.000 0.960 62 K CB 0.155 32.658 32.500 0.004 0.000 0.743 62 K HN 0.136 nan 8.250 nan 0.000 0.458 63 I N 1.567 122.144 120.570 0.013 0.000 2.193 63 I HA -0.251 3.919 4.170 0.000 0.000 0.240 63 I C 2.183 178.316 176.117 0.027 0.000 1.084 63 I CA 1.239 62.551 61.300 0.019 0.000 1.365 63 I CB -1.032 36.979 38.000 0.018 0.000 1.064 63 I HN 0.205 nan 8.210 nan 0.000 0.410 64 L N 0.101 121.338 121.223 0.024 0.000 1.971 64 L HA -0.270 4.070 4.340 0.000 0.000 0.215 64 L C 2.744 179.633 176.870 0.031 0.000 1.072 64 L CA 1.889 56.745 54.840 0.028 0.000 0.758 64 L CB -1.012 41.059 42.059 0.021 0.000 0.889 64 L HN 0.241 nan 8.230 nan 0.000 0.433 65 S N -0.011 115.704 115.700 0.025 0.000 2.402 65 S HA -0.167 4.303 4.470 0.000 0.000 0.233 65 S C 1.894 176.515 174.600 0.034 0.000 1.030 65 S CA 1.472 59.688 58.200 0.026 0.000 1.003 65 S CB -0.434 62.777 63.200 0.019 0.000 0.813 65 S HN 0.573 nan 8.310 nan 0.000 0.477 66 G N 1.088 109.909 108.800 0.036 0.000 2.396 66 G HA2 -0.006 3.954 3.960 0.000 0.000 0.214 66 G HA3 -0.006 3.954 3.960 0.000 0.000 0.214 66 G C 1.292 176.231 174.900 0.066 0.000 1.166 66 G CA 0.413 45.540 45.100 0.045 0.000 0.793 66 G HN 0.453 nan 8.290 nan 0.000 0.533 67 L N 0.887 122.149 121.223 0.065 0.000 2.201 67 L HA 0.035 4.375 4.340 0.000 0.000 0.212 67 L C 2.613 179.536 176.870 0.088 0.000 1.105 67 L CA 1.298 56.186 54.840 0.080 0.000 0.775 67 L CB -0.987 41.111 42.059 0.064 0.000 0.913 67 L HN 0.432 nan 8.230 nan 0.000 0.440 68 E N -0.201 120.042 120.200 0.070 0.000 2.112 68 E HA -0.158 4.193 4.350 0.000 0.000 0.190 68 E C 2.012 178.661 176.600 0.081 0.000 0.979 68 E CA 0.550 56.992 56.400 0.069 0.000 0.814 68 E CB 0.052 29.782 29.700 0.049 0.000 0.762 68 E HN 0.447 nan 8.360 nan 0.000 0.460 69 K N 0.738 121.183 120.400 0.076 0.000 2.147 69 K HA -0.083 4.237 4.320 0.000 0.000 0.205 69 K C 2.074 178.742 176.600 0.113 0.000 1.049 69 K CA 0.968 57.299 56.287 0.073 0.000 0.936 69 K CB -0.037 32.495 32.500 0.053 0.000 0.722 69 K HN 0.141 nan 8.250 nan 0.000 0.446 70 I N 0.345 121.009 120.570 0.157 0.000 2.439 70 I HA -0.223 3.947 4.170 0.000 0.000 0.251 70 I C 2.566 178.867 176.117 0.307 0.000 1.139 70 I CA 0.644 62.100 61.300 0.260 0.000 1.438 70 I CB -0.230 37.945 38.000 0.293 0.000 1.085 70 I HN 0.133 nan 8.210 nan 0.000 0.427 71 S N 0.659 116.488 115.700 0.214 0.000 2.359 71 S HA -0.205 4.265 4.470 0.000 0.000 0.224 71 S C 2.008 176.727 174.600 0.198 0.000 1.035 71 S CA 1.499 59.815 58.200 0.193 0.000 1.018 71 S CB -0.133 63.134 63.200 0.112 0.000 0.876 71 S HN 0.348 nan 8.310 nan 0.000 0.448 72 E N 0.995 121.282 120.200 0.146 0.000 2.072 72 E HA -0.109 4.241 4.350 0.000 0.000 0.191 72 E C 2.126 178.800 176.600 0.122 0.000 0.985 72 E CA 0.965 57.434 56.400 0.114 0.000 0.801 72 E CB -0.485 29.261 29.700 0.075 0.000 0.750 72 E HN 0.689 nan 8.360 nan 0.000 0.452 73 E N -0.359 119.914 120.200 0.122 0.000 2.130 73 E HA -0.211 4.139 4.350 0.000 0.000 0.196 73 E C 1.896 178.525 176.600 0.048 0.000 0.998 73 E CA 1.273 57.712 56.400 0.066 0.000 0.806 73 E CB -0.194 29.566 29.700 0.099 0.000 0.738 73 E HN 0.374 nan 8.360 nan 0.000 0.459 74 W N 0.063 121.432 121.300 0.114 0.000 2.481 74 W HA 0.020 4.680 4.660 0.000 0.000 0.293 74 W C 2.357 178.894 176.519 0.031 0.000 1.201 74 W CA 0.298 57.665 57.345 0.037 0.000 1.328 74 W CB -0.113 29.303 29.460 -0.073 0.000 1.112 74 W HN -0.157 nan 8.180 nan 0.000 0.546 75 S N 0.666 116.521 115.700 0.258 0.000 2.954 75 S HA 0.001 4.471 4.470 0.000 0.000 0.234 75 S C 1.019 175.685 174.600 0.111 0.000 0.978 75 S CA 0.738 59.031 58.200 0.155 0.000 1.045 75 S CB -0.693 62.577 63.200 0.117 0.000 0.807 75 S HN 0.269 nan 8.310 nan 0.000 0.508 76 K N -0.818 119.649 120.400 0.111 0.000 2.612 76 K HA 0.176 4.496 4.320 0.000 0.000 0.177 76 K C 0.689 177.324 176.600 0.058 0.000 1.333 76 K CA 0.547 56.876 56.287 0.069 0.000 1.120 76 K CB -0.297 32.233 32.500 0.050 0.000 1.121 76 K HN 0.283 nan 8.250 nan 0.000 0.556 77 G N 1.463 110.313 108.800 0.084 0.000 2.296 77 G HA2 -0.313 3.647 3.960 0.000 0.000 0.282 77 G HA3 -0.313 3.647 3.960 0.000 0.000 0.282 77 G C 0.551 175.454 174.900 0.005 0.000 1.014 77 G CA 0.946 46.084 45.100 0.063 0.000 0.812 77 G HN 0.508 nan 8.290 nan 0.000 0.508 78 V N -3.743 116.160 119.914 -0.018 0.000 3.590 78 V HA 0.565 4.685 4.120 0.000 0.000 0.265 78 V C 1.494 177.506 176.094 -0.136 0.000 1.239 78 V CA 0.235 62.499 62.300 -0.061 0.000 1.117 78 V CB -0.578 31.217 31.823 -0.047 0.000 0.818 78 V HN 0.347 nan 8.190 nan 0.000 0.451 79 F N 1.259 120.982 119.950 -0.378 0.000 2.587 79 F HA 0.437 4.964 4.527 0.000 0.000 0.327 79 F C 0.225 175.768 175.800 -0.429 0.000 1.232 79 F CA 0.762 58.411 58.000 -0.586 0.000 1.353 79 F CB 1.105 39.287 39.000 -1.364 0.000 1.156 79 F HN -0.026 nan 8.300 nan 0.000 0.599 80 V N 6.347 125.763 119.914 -0.830 0.000 2.610 80 V HA 0.463 4.583 4.120 0.000 0.000 0.298 80 V C -1.381 174.538 176.094 -0.292 0.000 1.067 80 V CA -0.487 61.579 62.300 -0.390 0.000 0.894 80 V CB 1.472 33.094 31.823 -0.334 0.000 1.015 80 V HN 0.813 nan 8.190 nan 0.000 0.432 81 V N 4.455 124.394 119.914 0.040 0.000 2.649 81 V HA 0.649 4.769 4.120 0.000 0.000 0.292 81 V C 0.073 176.195 176.094 0.047 0.000 1.055 81 V CA -0.467 61.926 62.300 0.155 0.000 1.023 81 V CB 1.081 33.039 31.823 0.226 0.000 0.992 81 V HN 0.900 nan 8.190 nan 0.000 0.480 82 K N 2.285 122.716 120.400 0.052 0.000 2.185 82 K HA 0.363 4.683 4.320 0.000 0.000 0.240 82 K C -0.107 176.515 176.600 0.036 0.000 0.983 82 K CA -0.756 55.544 56.287 0.020 0.000 0.873 82 K CB 1.765 34.269 32.500 0.006 0.000 1.118 82 K HN 0.813 nan 8.250 nan 0.000 0.441 83 Q N 1.681 121.495 119.800 0.022 0.000 2.903 83 Q HA -0.014 4.326 4.340 0.000 0.000 0.295 83 Q C -0.211 175.804 176.000 0.025 0.000 1.157 83 Q CA 0.180 55.998 55.803 0.024 0.000 0.930 83 Q CB -0.238 28.510 28.738 0.017 0.000 1.571 83 Q HN 0.720 nan 8.270 nan 0.000 0.440 84 S N -1.686 114.034 115.700 0.034 0.000 2.456 84 S HA 0.070 4.540 4.470 0.000 0.000 0.282 84 S C -0.205 174.423 174.600 0.047 0.000 1.057 84 S CA -0.501 57.719 58.200 0.035 0.000 1.321 84 S CB 0.151 63.370 63.200 0.031 0.000 1.117 84 S HN 0.349 nan 8.310 nan 0.000 0.584 85 D N 3.232 123.670 120.400 0.063 0.000 2.367 85 D HA 0.182 4.822 4.640 0.000 0.000 0.255 85 D C 0.719 177.047 176.300 0.047 0.000 1.300 85 D CA 0.226 54.274 54.000 0.081 0.000 0.959 85 D CB 1.010 41.888 40.800 0.130 0.000 1.064 85 D HN 0.563 nan 8.370 nan 0.000 0.509 86 E N 1.432 121.651 120.200 0.032 0.000 2.077 86 E HA -0.158 4.192 4.350 0.000 0.000 0.193 86 E C 0.221 176.798 176.600 -0.039 0.000 0.989 86 E CA 1.037 57.438 56.400 0.001 0.000 0.800 86 E CB 0.183 29.885 29.700 0.004 0.000 0.746 86 E HN 0.618 nan 8.360 nan 0.000 0.452 87 D N -1.814 118.564 120.400 -0.036 0.000 2.812 87 D HA 0.087 4.727 4.640 0.000 0.000 0.318 87 D C 0.462 176.733 176.300 -0.049 0.000 1.234 87 D CA -0.760 53.176 54.000 -0.106 0.000 0.989 87 D CB 0.143 40.835 40.800 -0.180 0.000 1.442 87 D HN -0.135 nan 8.370 nan 0.000 0.537 88 I N -0.222 120.282 120.570 -0.109 0.000 2.394 88 I HA -0.134 4.036 4.170 0.000 0.000 0.251 88 I C 1.683 177.863 176.117 0.105 0.000 1.136 88 I CA 1.622 62.892 61.300 -0.051 0.000 1.425 88 I CB -0.517 37.393 38.000 -0.150 0.000 1.079 88 I HN 0.460 nan 8.210 nan 0.000 0.425 89 H N -0.839 118.213 119.070 -0.030 0.000 2.261 89 H HA -0.129 4.428 4.556 0.000 0.000 0.301 89 H C 2.049 177.418 175.328 0.069 0.000 1.067 89 H CA 1.585 57.638 56.048 0.008 0.000 1.297 89 H CB -0.444 29.310 29.762 -0.013 0.000 1.377 89 H HN 0.254 nan 8.280 nan 0.000 0.492 90 T N 0.872 115.550 114.554 0.207 0.000 2.737 90 T HA -0.212 4.138 4.350 0.000 0.000 0.269 90 T C 2.261 177.070 174.700 0.181 0.000 1.040 90 T CA 1.074 63.274 62.100 0.166 0.000 1.142 90 T CB -0.427 68.507 68.868 0.111 0.000 0.861 90 T HN 0.452 nan 8.240 nan 0.000 0.456 91 A N 1.841 124.780 122.820 0.199 0.000 1.972 91 A HA -0.119 4.201 4.320 0.000 0.000 0.219 91 A C 2.296 180.115 177.584 0.392 0.000 1.169 91 A CA 1.332 53.548 52.037 0.299 0.000 0.635 91 A CB -0.389 18.807 19.000 0.327 0.000 0.810 91 A HN 0.372 nan 8.150 nan 0.000 0.446 92 N N -0.205 118.663 118.700 0.281 0.000 2.336 92 N HA -0.092 4.648 4.740 0.000 0.000 0.177 92 N C 1.790 177.432 175.510 0.220 0.000 1.018 92 N CA 1.405 54.622 53.050 0.278 0.000 0.878 92 N CB -0.263 38.324 38.487 0.166 0.000 0.997 92 N HN 0.860 nan 8.380 nan 0.000 0.433 93 E N 1.095 121.399 120.200 0.174 0.000 2.208 93 E HA -0.135 4.215 4.350 0.000 0.000 0.193 93 E C 2.013 178.667 176.600 0.089 0.000 0.988 93 E CA 0.569 57.036 56.400 0.110 0.000 0.828 93 E CB -0.113 29.655 29.700 0.113 0.000 0.763 93 E HN 0.168 nan 8.360 nan 0.000 0.478 94 R N 0.661 121.237 120.500 0.126 0.000 2.092 94 R HA -0.054 4.287 4.340 0.000 0.000 0.231 94 R C 2.477 178.826 176.300 0.082 0.000 1.119 94 R CA 0.895 57.051 56.100 0.093 0.000 0.970 94 R CB -0.078 30.286 30.300 0.106 0.000 0.864 94 R HN 0.031 nan 8.270 nan 0.000 0.440 95 R N 0.802 121.387 120.500 0.141 0.000 2.189 95 R HA -0.066 4.274 4.340 0.000 0.000 0.218 95 R C 1.996 178.346 176.300 0.084 0.000 1.074 95 R CA 0.699 56.861 56.100 0.103 0.000 0.991 95 R CB -0.472 29.968 30.300 0.233 0.000 0.883 95 R HN 0.273 nan 8.270 nan 0.000 0.457 96 L N 1.059 122.339 121.223 0.095 0.000 2.131 96 L HA -0.018 4.322 4.340 0.000 0.000 0.206 96 L C 2.125 179.010 176.870 0.025 0.000 1.087 96 L CA 1.623 56.500 54.840 0.061 0.000 0.767 96 L CB -0.391 41.702 42.059 0.058 0.000 0.917 96 L HN -0.118 nan 8.230 nan 0.000 0.441 97 K N -0.034 120.375 120.400 0.016 0.000 2.362 97 K HA -0.129 4.191 4.320 0.000 0.000 0.200 97 K C 1.740 178.340 176.600 -0.001 0.000 1.046 97 K CA 1.085 57.371 56.287 -0.002 0.000 0.952 97 K CB 0.202 32.697 32.500 -0.007 0.000 0.753 97 K HN 0.516 nan 8.250 nan 0.000 0.466 98 E N -0.323 119.878 120.200 0.003 0.000 2.140 98 E HA 0.024 4.374 4.350 0.000 0.000 0.191 98 E C 1.978 178.571 176.600 -0.011 0.000 0.973 98 E CA 0.230 56.624 56.400 -0.011 0.000 0.829 98 E CB 0.222 29.907 29.700 -0.025 0.000 0.781 98 E HN 0.136 nan 8.360 nan 0.000 0.466 99 L N 0.497 121.720 121.223 -0.001 0.000 2.013 99 L HA -0.081 4.259 4.340 0.000 0.000 0.204 99 L C 2.383 179.254 176.870 0.002 0.000 1.081 99 L CA 0.967 55.807 54.840 0.001 0.000 0.751 99 L CB -0.306 41.763 42.059 0.017 0.000 0.901 99 L HN 0.118 nan 8.230 nan 0.000 0.440 100 I N -1.153 119.422 120.570 0.007 0.000 2.162 100 I HA -0.005 4.165 4.170 0.000 0.000 0.238 100 I C 1.253 177.369 176.117 -0.002 0.000 1.076 100 I CA 1.022 62.325 61.300 0.004 0.000 1.353 100 I CB -0.409 37.595 38.000 0.006 0.000 1.063 100 I HN 0.480 nan 8.210 nan 0.000 0.408 101 G N 0.872 109.670 108.800 -0.004 0.000 2.265 101 G HA2 -0.177 3.783 3.960 0.000 0.000 0.246 101 G HA3 -0.177 3.783 3.960 0.000 0.000 0.246 101 G C -0.239 174.654 174.900 -0.011 0.000 1.299 101 G CA 0.077 45.172 45.100 -0.007 0.000 1.117 101 G HN 0.267 nan 8.290 nan 0.000 0.485 102 D N 0.207 120.601 120.400 -0.011 0.000 2.384 102 D HA -0.077 4.563 4.640 0.000 0.000 0.222 102 D C 2.156 178.446 176.300 -0.016 0.000 0.976 102 D CA 0.855 54.847 54.000 -0.013 0.000 0.915 102 D CB 0.203 40.998 40.800 -0.009 0.000 0.896 102 D HN 0.291 nan 8.370 nan 0.000 0.523 103 I N 1.675 122.237 120.570 -0.014 0.000 2.333 103 I HA -0.092 4.078 4.170 0.000 0.000 0.246 103 I C 2.707 178.813 176.117 -0.019 0.000 1.106 103 I CA 0.515 61.807 61.300 -0.013 0.000 1.411 103 I CB -1.276 36.720 38.000 -0.008 0.000 1.082 103 I HN -0.020 nan 8.210 nan 0.000 0.420 104 A N 1.161 123.968 122.820 -0.023 0.000 2.139 104 A HA -0.138 4.182 4.320 0.000 0.000 0.221 104 A C 2.391 179.930 177.584 -0.076 0.000 1.159 104 A CA 1.647 53.663 52.037 -0.034 0.000 0.662 104 A CB -1.270 17.713 19.000 -0.028 0.000 0.796 104 A HN 0.464 nan 8.150 nan 0.000 0.463 105 G N -0.211 108.544 108.800 -0.076 0.000 2.443 105 G HA2 -0.193 3.767 3.960 0.000 0.000 0.219 105 G HA3 -0.193 3.767 3.960 0.000 0.000 0.219 105 G C 1.469 176.328 174.900 -0.069 0.000 1.131 105 G CA 0.833 45.867 45.100 -0.110 0.000 0.775 105 G HN 0.629 nan 8.290 nan 0.000 0.547 106 K N -0.367 120.018 120.400 -0.024 0.000 2.515 106 K HA 0.080 4.400 4.320 0.000 0.000 0.196 106 K C 2.016 178.643 176.600 0.046 0.000 1.038 106 K CA 0.025 56.319 56.287 0.011 0.000 0.967 106 K CB -0.031 32.472 32.500 0.006 0.000 0.780 106 K HN 0.244 nan 8.250 nan 0.000 0.483 107 L N 0.408 121.653 121.223 0.037 0.000 2.109 107 L HA -0.097 4.243 4.340 0.000 0.000 0.207 107 L C 1.680 178.717 176.870 0.279 0.000 1.086 107 L CA 1.762 56.680 54.840 0.130 0.000 0.760 107 L CB -0.341 41.770 42.059 0.088 0.000 0.910 107 L HN 0.248 nan 8.230 nan 0.000 0.437 108 H N -1.510 117.614 119.070 0.090 0.000 2.561 108 H HA -0.005 4.551 4.556 0.000 0.000 0.278 108 H C 0.082 175.463 175.328 0.089 0.000 1.014 108 H CA 0.108 56.190 56.048 0.056 0.000 1.211 108 H CB -0.147 29.626 29.762 0.019 0.000 1.365 108 H HN 0.251 nan 8.280 nan 0.000 0.594 109 T N 0.465 115.167 114.554 0.247 0.000 2.831 109 T HA 0.117 4.467 4.350 0.000 0.000 0.291 109 T C 1.301 176.152 174.700 0.252 0.000 0.981 109 T CA 0.824 63.034 62.100 0.184 0.000 1.174 109 T CB 0.662 69.601 68.868 0.119 0.000 0.929 109 T HN 0.735 nan 8.240 nan 0.000 0.532 110 G N 4.073 112.971 108.800 0.162 0.000 2.956 110 G HA2 -0.241 3.719 3.960 0.000 0.000 0.210 110 G HA3 -0.241 3.719 3.960 0.000 0.000 0.210 110 G C 0.280 175.227 174.900 0.078 0.000 1.316 110 G CA 0.024 45.229 45.100 0.175 0.000 0.819 110 G HN 0.951 nan 8.290 nan 0.000 0.544 111 R N 1.012 121.490 120.500 -0.036 0.000 2.549 111 R HA 0.764 5.104 4.340 0.000 0.000 0.267 111 R C 0.312 176.476 176.300 -0.226 0.000 1.045 111 R CA 0.360 56.311 56.100 -0.249 0.000 1.115 111 R CB 1.572 31.475 30.300 -0.661 0.000 1.121 111 R HN 0.915 nan 8.270 nan 0.000 0.543 112 S N 0.146 115.709 115.700 -0.229 0.000 2.745 112 S HA 0.366 4.836 4.470 0.000 0.000 0.306 112 S C 0.571 175.029 174.600 -0.236 0.000 1.137 112 S CA -1.037 57.027 58.200 -0.226 0.000 0.900 112 S CB 1.955 65.045 63.200 -0.183 0.000 1.176 112 S HN 0.657 nan 8.310 nan 0.000 0.520 113 R N 1.059 121.428 120.500 -0.218 0.000 2.120 113 R HA 0.113 4.453 4.340 0.000 0.000 0.234 113 R C 1.717 177.911 176.300 -0.176 0.000 1.123 113 R CA 1.634 57.646 56.100 -0.146 0.000 0.975 113 R CB -1.019 29.204 30.300 -0.128 0.000 0.866 113 R HN 0.693 nan 8.270 nan 0.000 0.446 114 N N 0.530 119.047 118.700 -0.304 0.000 2.223 114 N HA -0.163 4.577 4.740 0.000 0.000 0.185 114 N C 1.112 176.534 175.510 -0.146 0.000 1.016 114 N CA 1.328 54.179 53.050 -0.332 0.000 0.863 114 N CB -0.266 37.971 38.487 -0.416 0.000 0.983 114 N HN 0.238 nan 8.380 nan 0.000 0.429 115 D N 0.714 121.022 120.400 -0.154 0.000 2.149 115 D HA -0.016 4.624 4.640 0.000 0.000 0.206 115 D C 1.805 178.031 176.300 -0.124 0.000 0.967 115 D CA 0.758 54.676 54.000 -0.138 0.000 0.848 115 D CB 0.129 40.821 40.800 -0.180 0.000 0.998 115 D HN 0.209 nan 8.370 nan 0.000 0.474 116 Q N -0.032 119.687 119.800 -0.134 0.000 2.050 116 Q HA -0.103 4.238 4.340 0.000 0.000 0.202 116 Q C 2.356 178.384 176.000 0.046 0.000 0.980 116 Q CA 0.977 56.716 55.803 -0.106 0.000 0.840 116 Q CB -0.029 28.587 28.738 -0.204 0.000 0.898 116 Q HN 0.126 nan 8.270 nan 0.000 0.424 117 V N 0.849 120.838 119.914 0.125 0.000 2.218 117 V HA -0.335 3.785 4.120 0.000 0.000 0.251 117 V C 2.442 178.608 176.094 0.121 0.000 1.057 117 V CA 2.334 64.720 62.300 0.144 0.000 1.022 117 V CB -0.934 30.945 31.823 0.093 0.000 0.645 117 V HN 0.469 nan 8.190 nan 0.000 0.451 118 V N -2.356 117.615 119.914 0.095 0.000 2.469 118 V HA -0.257 3.863 4.120 0.000 0.000 0.251 118 V C 2.174 178.267 176.094 -0.002 0.000 1.064 118 V CA 2.597 64.950 62.300 0.089 0.000 1.066 118 V CB -1.621 30.234 31.823 0.054 0.000 0.667 118 V HN 0.601 nan 8.190 nan 0.000 0.461 119 T N 0.692 115.238 114.554 -0.015 0.000 2.708 119 T HA -0.168 4.182 4.350 0.000 0.000 0.266 119 T C 1.585 176.355 174.700 0.116 0.000 1.037 119 T CA 2.165 64.266 62.100 0.003 0.000 1.146 119 T CB -0.518 68.332 68.868 -0.030 0.000 0.865 119 T HN 0.600 nan 8.240 nan 0.000 0.435 120 D N 0.821 121.286 120.400 0.109 0.000 2.097 120 D HA 0.001 4.641 4.640 0.000 0.000 0.195 120 D C 2.048 178.465 176.300 0.196 0.000 0.989 120 D CA 0.589 54.675 54.000 0.143 0.000 0.827 120 D CB -0.368 40.529 40.800 0.163 0.000 0.966 120 D HN 0.208 nan 8.370 nan 0.000 0.456 121 L N 0.416 121.758 121.223 0.198 0.000 2.083 121 L HA -0.156 4.184 4.340 0.000 0.000 0.209 121 L C 2.081 179.114 176.870 0.273 0.000 1.083 121 L CA 1.251 56.257 54.840 0.277 0.000 0.752 121 L CB -0.098 42.153 42.059 0.320 0.000 0.899 121 L HN 0.068 nan 8.230 nan 0.000 0.433 122 K N -0.297 120.175 120.400 0.119 0.000 2.103 122 K HA -0.132 4.188 4.320 0.000 0.000 0.204 122 K C 2.041 178.708 176.600 0.112 0.000 1.052 122 K CA 0.936 57.246 56.287 0.038 0.000 0.945 122 K CB -0.086 32.367 32.500 -0.077 0.000 0.722 122 K HN 0.284 nan 8.250 nan 0.000 0.443 123 L N 0.116 121.434 121.223 0.159 0.000 2.017 123 L HA -0.174 4.167 4.340 0.000 0.000 0.208 123 L C 2.449 179.338 176.870 0.031 0.000 1.073 123 L CA 1.122 55.972 54.840 0.018 0.000 0.745 123 L CB -0.444 41.646 42.059 0.051 0.000 0.894 123 L HN 0.080 nan 8.230 nan 0.000 0.432 124 F N 0.631 120.584 119.950 0.004 0.000 2.069 124 F HA -0.274 4.253 4.527 0.000 0.000 0.298 124 F C 2.502 178.292 175.800 -0.016 0.000 1.113 124 F CA 1.704 59.710 58.000 0.011 0.000 1.214 124 F CB -0.214 38.841 39.000 0.093 0.000 0.978 124 F HN -0.068 nan 8.300 nan 0.000 0.474 125 M N 0.134 119.723 119.600 -0.019 0.000 2.149 125 M HA -0.241 4.239 4.480 0.000 0.000 0.261 125 M C 2.326 178.463 176.300 -0.271 0.000 1.064 125 M CA 1.944 57.114 55.300 -0.217 0.000 1.102 125 M CB -0.548 32.010 32.600 -0.070 0.000 1.369 125 M HN 0.129 nan 8.290 nan 0.000 0.408 126 K N 0.457 120.749 120.400 -0.181 0.000 2.063 126 K HA -0.189 4.131 4.320 0.000 0.000 0.208 126 K C 1.570 178.042 176.600 -0.214 0.000 1.048 126 K CA 1.570 57.748 56.287 -0.182 0.000 0.928 126 K CB 0.007 32.395 32.500 -0.187 0.000 0.713 126 K HN 0.333 nan 8.250 nan 0.000 0.442 127 N N 0.146 118.692 118.700 -0.257 0.000 2.171 127 N HA -0.074 4.666 4.740 0.000 0.000 0.184 127 N C 1.838 177.175 175.510 -0.288 0.000 1.021 127 N CA 1.191 54.090 53.050 -0.252 0.000 0.854 127 N CB -0.295 38.047 38.487 -0.243 0.000 0.994 127 N HN 0.095 nan 8.380 nan 0.000 0.426 128 S N 1.276 116.713 115.700 -0.439 0.000 2.368 128 S HA -0.043 4.427 4.470 0.000 0.000 0.225 128 S C 1.969 176.455 174.600 -0.190 0.000 1.030 128 S CA 0.677 58.651 58.200 -0.378 0.000 0.999 128 S CB -0.203 62.663 63.200 -0.556 0.000 0.844 128 S HN 0.101 nan 8.310 nan 0.000 0.459 129 L N 1.526 122.627 121.223 -0.202 0.000 2.012 129 L HA -0.058 4.282 4.340 0.000 0.000 0.210 129 L C 2.651 179.469 176.870 -0.087 0.000 1.073 129 L CA 1.610 56.386 54.840 -0.107 0.000 0.748 129 L CB -1.314 40.657 42.059 -0.148 0.000 0.891 129 L HN 0.306 nan 8.230 nan 0.000 0.431 130 S N -0.779 114.848 115.700 -0.121 0.000 2.370 130 S HA -0.165 4.305 4.470 0.000 0.000 0.226 130 S C 2.088 176.618 174.600 -0.117 0.000 1.033 130 S CA 1.253 59.387 58.200 -0.110 0.000 1.011 130 S CB -0.238 62.891 63.200 -0.119 0.000 0.852 130 S HN 0.358 nan 8.310 nan 0.000 0.457 131 I N 0.878 121.369 120.570 -0.132 0.000 2.252 131 I HA -0.137 4.033 4.170 0.000 0.000 0.245 131 I C 2.133 178.140 176.117 -0.183 0.000 1.102 131 I CA 1.215 62.407 61.300 -0.181 0.000 1.385 131 I CB -0.311 37.614 38.000 -0.125 0.000 1.064 131 I HN 0.332 nan 8.210 nan 0.000 0.414 132 I N -0.120 120.444 120.570 -0.011 0.000 2.361 132 I HA -0.296 3.874 4.170 0.000 0.000 0.251 132 I C 2.744 178.925 176.117 0.106 0.000 1.133 132 I CA 1.205 62.584 61.300 0.133 0.000 1.413 132 I CB -0.285 37.866 38.000 0.252 0.000 1.073 132 I HN 0.220 nan 8.210 nan 0.000 0.424 133 S N 0.208 115.925 115.700 0.028 0.000 2.368 133 S HA -0.183 4.287 4.470 0.000 0.000 0.225 133 S C 2.075 176.673 174.600 -0.005 0.000 1.030 133 S CA 2.205 60.418 58.200 0.022 0.000 0.999 133 S CB -0.301 62.884 63.200 -0.026 0.000 0.844 133 S HN 0.418 nan 8.310 nan 0.000 0.459 134 T N 1.462 115.961 114.554 -0.092 0.000 2.708 134 T HA -0.094 4.256 4.350 0.000 0.000 0.266 134 T C 1.638 176.312 174.700 -0.044 0.000 1.037 134 T CA 1.627 63.658 62.100 -0.116 0.000 1.146 134 T CB -0.590 68.141 68.868 -0.229 0.000 0.865 134 T HN 0.520 nan 8.240 nan 0.000 0.435 135 H N 0.517 119.610 119.070 0.038 0.000 2.387 135 H HA 0.058 4.614 4.556 0.000 0.000 0.299 135 H C 2.244 177.596 175.328 0.041 0.000 1.090 135 H CA 0.843 56.914 56.048 0.039 0.000 1.332 135 H CB -0.756 29.034 29.762 0.047 0.000 1.386 135 H HN 0.171 nan 8.280 nan 0.000 0.516 136 L N 0.572 121.900 121.223 0.175 0.000 2.017 136 L HA -0.128 4.212 4.340 0.000 0.000 0.208 136 L C 2.163 179.083 176.870 0.084 0.000 1.073 136 L CA 1.262 56.180 54.840 0.130 0.000 0.745 136 L CB -0.834 41.324 42.059 0.165 0.000 0.894 136 L HN 0.128 nan 8.230 nan 0.000 0.432 137 L N -0.601 120.661 121.223 0.066 0.000 2.083 137 L HA -0.194 4.146 4.340 0.000 0.000 0.209 137 L C 2.633 179.525 176.870 0.037 0.000 1.083 137 L CA 1.516 56.380 54.840 0.040 0.000 0.752 137 L CB -1.248 40.824 42.059 0.023 0.000 0.899 137 L HN 0.484 nan 8.230 nan 0.000 0.433 138 Q N -0.213 119.619 119.800 0.055 0.000 2.084 138 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 138 Q C 2.334 178.354 176.000 0.033 0.000 0.978 138 Q CA 1.291 57.126 55.803 0.052 0.000 0.844 138 Q CB -0.283 28.508 28.738 0.089 0.000 0.898 138 Q HN 0.460 nan 8.270 nan 0.000 0.426 139 L N 0.180 121.423 121.223 0.033 0.000 2.012 139 L HA -0.220 4.120 4.340 0.000 0.000 0.210 139 L C 2.327 179.191 176.870 -0.011 0.000 1.073 139 L CA 1.212 56.053 54.840 0.001 0.000 0.748 139 L CB -0.336 41.723 42.059 -0.001 0.000 0.891 139 L HN 0.234 nan 8.230 nan 0.000 0.431 140 I N -0.165 120.405 120.570 -0.001 0.000 2.163 140 I HA -0.358 3.812 4.170 0.000 0.000 0.243 140 I C 2.547 178.657 176.117 -0.013 0.000 1.085 140 I CA 1.451 62.744 61.300 -0.012 0.000 1.347 140 I CB -0.404 37.595 38.000 -0.002 0.000 1.044 140 I HN 0.257 nan 8.210 nan 0.000 0.408 141 K N 0.192 120.592 120.400 0.000 0.000 2.147 141 K HA -0.126 4.194 4.320 0.000 0.000 0.205 141 K C 2.094 178.695 176.600 0.002 0.000 1.049 141 K CA 1.719 58.007 56.287 0.002 0.000 0.936 141 K CB -0.322 32.184 32.500 0.011 0.000 0.722 141 K HN 0.355 nan 8.250 nan 0.000 0.446 142 T N 1.966 116.520 114.554 0.000 0.000 2.821 142 T HA -0.060 4.290 4.350 0.000 0.000 0.267 142 T C 1.937 176.633 174.700 -0.006 0.000 1.046 142 T CA 0.883 62.983 62.100 0.001 0.000 1.139 142 T CB -0.082 68.782 68.868 -0.006 0.000 0.871 142 T HN 0.088 nan 8.240 nan 0.000 0.454 143 L N 0.581 121.787 121.223 -0.028 0.000 2.005 143 L HA -0.053 4.287 4.340 0.000 0.000 0.207 143 L C 2.665 179.508 176.870 -0.045 0.000 1.072 143 L CA 0.873 55.682 54.840 -0.051 0.000 0.744 143 L CB -0.600 41.409 42.059 -0.084 0.000 0.895 143 L HN 0.109 nan 8.230 nan 0.000 0.433 144 V N -0.159 119.733 119.914 -0.036 0.000 2.392 144 V HA -0.314 3.806 4.120 0.000 0.000 0.249 144 V C 2.440 178.530 176.094 -0.008 0.000 1.059 144 V CA 2.054 64.337 62.300 -0.028 0.000 1.051 144 V CB -0.518 31.292 31.823 -0.022 0.000 0.658 144 V HN 0.507 nan 8.190 nan 0.000 0.455 145 E N 0.394 120.596 120.200 0.004 0.000 2.047 145 E HA -0.264 4.086 4.350 0.000 0.000 0.191 145 E C 2.431 179.052 176.600 0.035 0.000 0.987 145 E CA 1.342 57.754 56.400 0.020 0.000 0.799 145 E CB -0.114 29.600 29.700 0.023 0.000 0.752 145 E HN 0.486 nan 8.360 nan 0.000 0.449 146 R N -0.047 120.478 120.500 0.041 0.000 2.152 146 R HA -0.083 4.257 4.340 0.000 0.000 0.232 146 R C 2.062 178.411 176.300 0.081 0.000 1.117 146 R CA 1.206 57.355 56.100 0.081 0.000 0.981 146 R CB -0.198 30.167 30.300 0.108 0.000 0.870 146 R HN 0.205 nan 8.270 nan 0.000 0.451 147 A N 0.402 123.234 122.820 0.020 0.000 1.969 147 A HA -0.012 4.308 4.320 0.000 0.000 0.218 147 A C 2.295 179.901 177.584 0.036 0.000 1.169 147 A CA 1.353 53.389 52.037 -0.001 0.000 0.635 147 A CB -0.621 18.348 19.000 -0.051 0.000 0.810 147 A HN 0.499 nan 8.150 nan 0.000 0.445 148 A N -0.126 122.714 122.820 0.033 0.000 1.898 148 A HA -0.064 4.256 4.320 0.000 0.000 0.216 148 A C 2.175 179.791 177.584 0.055 0.000 1.181 148 A CA 1.483 53.542 52.037 0.037 0.000 0.620 148 A CB -0.508 18.509 19.000 0.028 0.000 0.819 148 A HN 0.646 nan 8.150 nan 0.000 0.442 149 I N -0.838 119.773 120.570 0.067 0.000 2.406 149 I HA -0.092 4.078 4.170 0.000 0.000 0.249 149 I C 1.067 177.243 176.117 0.099 0.000 1.122 149 I CA 1.226 62.571 61.300 0.075 0.000 1.431 149 I CB -0.061 37.984 38.000 0.075 0.000 1.087 149 I HN 0.346 nan 8.210 nan 0.000 0.424 150 E N 0.842 121.129 120.200 0.145 0.000 2.423 150 E HA 0.081 4.431 4.350 0.000 0.000 0.198 150 E C 1.523 178.243 176.600 0.200 0.000 1.038 150 E CA -0.185 56.335 56.400 0.199 0.000 1.011 150 E CB 0.265 30.174 29.700 0.349 0.000 1.118 150 E HN 0.534 nan 8.360 nan 0.000 0.451 151 I N 1.069 121.715 120.570 0.127 0.000 2.530 151 I HA -0.244 3.927 4.170 0.000 0.000 0.257 151 I C 1.017 177.193 176.117 0.099 0.000 1.179 151 I CA 1.260 62.621 61.300 0.102 0.000 1.440 151 I CB 0.312 38.352 38.000 0.068 0.000 1.087 151 I HN 0.081 nan 8.210 nan 0.000 0.440 152 D N 0.123 120.578 120.400 0.092 0.000 2.349 152 D HA 0.080 4.720 4.640 0.000 0.000 0.215 152 D C 0.552 176.894 176.300 0.071 0.000 1.016 152 D CA 0.283 54.326 54.000 0.073 0.000 0.870 152 D CB 0.351 41.184 40.800 0.054 0.000 0.917 152 D HN 0.105 nan 8.370 nan 0.000 0.524 153 V N 2.256 122.230 119.914 0.100 0.000 2.521 153 V HA 0.114 4.234 4.120 0.000 0.000 0.286 153 V C 0.556 176.696 176.094 0.077 0.000 1.034 153 V CA 0.103 62.441 62.300 0.063 0.000 1.045 153 V CB 1.097 32.953 31.823 0.054 0.000 0.974 153 V HN -0.049 nan 8.190 nan 0.000 0.480 154 I N 6.507 127.067 120.570 -0.016 0.000 2.465 154 I HA 0.648 4.818 4.170 0.000 0.000 0.291 154 I C -0.292 175.717 176.117 -0.180 0.000 1.014 154 I CA -0.475 60.799 61.300 -0.044 0.000 1.093 154 I CB 1.703 39.687 38.000 -0.026 0.000 1.267 154 I HN 0.583 nan 8.210 nan 0.000 0.431 155 L N 4.747 125.852 121.223 -0.196 0.000 2.510 155 L HA 0.811 5.152 4.340 0.000 0.000 0.252 155 L C -3.000 173.699 176.870 -0.285 0.000 1.091 155 L CA -2.253 52.364 54.840 -0.371 0.000 0.888 155 L CB 2.054 43.761 42.059 -0.587 0.000 1.507 155 L HN 0.141 nan 8.230 nan 0.000 0.407 156 P HA 0.252 nan 4.420 nan 0.000 0.271 156 P C -0.586 176.565 177.300 -0.247 0.000 1.216 156 P CA 0.101 63.005 63.100 -0.325 0.000 0.771 156 P CB 0.989 32.414 31.700 -0.458 0.000 0.864 157 G N 2.312 110.980 108.800 -0.220 0.000 2.332 157 G HA2 0.460 4.420 3.960 0.000 0.000 0.310 157 G HA3 0.460 4.420 3.960 0.000 0.000 0.310 157 G C -1.432 173.385 174.900 -0.137 0.000 1.123 157 G CA -0.136 44.934 45.100 -0.050 0.000 0.873 157 G HN 0.324 nan 8.290 nan 0.000 0.460 158 Y N 0.487 120.863 120.300 0.127 0.000 2.387 158 Y HA 0.631 5.181 4.550 0.000 0.000 0.336 158 Y C 0.788 176.731 175.900 0.072 0.000 1.067 158 Y CA -0.647 57.535 58.100 0.136 0.000 1.114 158 Y CB 2.700 41.294 38.460 0.224 0.000 1.208 158 Y HN 0.616 nan 8.280 nan 0.000 0.458 159 T N -0.145 114.525 114.554 0.194 0.000 2.928 159 T HA 0.322 4.672 4.350 0.000 0.000 0.296 159 T C -0.822 173.895 174.700 0.028 0.000 1.000 159 T CA -0.689 61.392 62.100 -0.031 0.000 0.989 159 T CB 0.630 69.430 68.868 -0.114 0.000 1.005 159 T HN 0.889 nan 8.240 nan 0.000 0.442 160 H N 2.824 121.981 119.070 0.145 0.000 2.899 160 H HA -0.134 4.422 4.556 0.000 0.000 0.282 160 H C 1.085 176.511 175.328 0.163 0.000 1.198 160 H CA 0.712 56.834 56.048 0.123 0.000 1.140 160 H CB -1.666 28.158 29.762 0.103 0.000 1.317 160 H HN 0.888 nan 8.280 nan 0.000 0.375 161 L N -1.692 119.693 121.223 0.270 0.000 4.001 161 L HA -0.298 4.043 4.340 0.000 0.000 0.413 161 L C 0.039 177.191 176.870 0.469 0.000 1.185 161 L CA 1.254 56.278 54.840 0.307 0.000 0.963 161 L CB -0.398 41.773 42.059 0.187 0.000 1.976 161 L HN 0.369 nan 8.230 nan 0.000 0.939 162 Q N 0.194 120.282 119.800 0.480 0.000 2.377 162 Q HA 0.384 4.724 4.340 0.000 0.000 0.271 162 Q C -0.180 175.947 176.000 0.213 0.000 1.077 162 Q CA -0.726 55.294 55.803 0.363 0.000 0.820 162 Q CB 1.937 30.816 28.738 0.234 0.000 1.347 162 Q HN 0.140 nan 8.270 nan 0.000 0.444 163 K N 1.066 121.456 120.400 -0.016 0.000 2.419 163 K HA 0.151 4.471 4.320 0.000 0.000 0.282 163 K C 0.447 176.965 176.600 -0.137 0.000 1.056 163 K CA 0.110 56.198 56.287 -0.332 0.000 1.035 163 K CB 0.575 32.922 32.500 -0.254 0.000 0.921 163 K HN 0.645 nan 8.250 nan 0.000 0.472 164 A N 4.258 126.987 122.820 -0.151 0.000 1.941 164 A HA -0.015 4.305 4.320 0.000 0.000 0.214 164 A C 0.285 177.850 177.584 -0.031 0.000 1.368 164 A CA 0.749 52.766 52.037 -0.034 0.000 0.651 164 A CB 0.184 19.182 19.000 -0.004 0.000 1.064 164 A HN 0.803 nan 8.150 nan 0.000 0.492 165 Q N -1.645 118.115 119.800 -0.066 0.000 2.522 165 Q HA 0.499 4.839 4.340 0.000 0.000 0.285 165 Q C -3.204 172.760 176.000 -0.060 0.000 0.982 165 Q CA -2.280 53.510 55.803 -0.023 0.000 0.805 165 Q CB 1.267 30.020 28.738 0.024 0.000 1.457 165 Q HN 0.009 nan 8.270 nan 0.000 0.394 166 P HA 0.161 nan 4.420 nan 0.000 0.265 166 P C -0.804 176.483 177.300 -0.021 0.000 1.193 166 P CA 0.276 63.358 63.100 -0.030 0.000 0.765 166 P CB 0.291 32.047 31.700 0.093 0.000 0.823 167 I N -1.363 119.186 120.570 -0.036 0.000 3.006 167 I HA 0.582 4.752 4.170 0.000 0.000 0.306 167 I C -0.771 175.365 176.117 0.032 0.000 1.250 167 I CA -1.702 59.592 61.300 -0.010 0.000 0.996 167 I CB 2.502 40.496 38.000 -0.010 0.000 1.261 167 I HN 0.029 nan 8.210 nan 0.000 0.442 168 R N 2.622 123.159 120.500 0.061 0.000 2.390 168 R HA 0.112 4.452 4.340 0.000 0.000 0.291 168 R C 0.652 177.052 176.300 0.167 0.000 1.070 168 R CA -0.368 55.794 56.100 0.104 0.000 1.014 168 R CB 1.018 31.373 30.300 0.091 0.000 1.007 168 R HN 0.880 nan 8.270 nan 0.000 0.466 169 W N 3.356 124.660 121.300 0.007 0.000 2.331 169 W HA -0.232 4.428 4.660 -0.000 0.000 0.291 169 W C 0.494 177.113 176.519 0.167 0.000 1.214 169 W CA 1.598 58.973 57.345 0.051 0.000 1.228 169 W CB 0.087 29.540 29.460 -0.012 0.000 1.135 169 W HN 0.514 nan 8.180 nan 0.000 0.537 170 S N 0.661 116.374 115.700 0.021 0.000 2.383 170 S HA -0.284 4.187 4.470 0.000 0.000 0.227 170 S C 1.567 176.111 174.600 -0.092 0.000 1.026 170 S CA 1.798 59.939 58.200 -0.098 0.000 0.981 170 S CB -0.505 62.700 63.200 0.010 0.000 0.818 170 S HN 0.323 nan 8.310 nan 0.000 0.472 171 Q N 1.067 120.858 119.800 -0.015 0.000 2.096 171 Q HA -0.113 4.227 4.340 0.000 0.000 0.204 171 Q C 1.749 177.725 176.000 -0.040 0.000 0.982 171 Q CA 1.629 57.420 55.803 -0.021 0.000 0.850 171 Q CB -0.614 28.130 28.738 0.010 0.000 0.901 171 Q HN 0.544 nan 8.270 nan 0.000 0.422 172 F N -0.103 119.751 119.950 -0.159 0.000 2.134 172 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 172 F C 1.491 177.160 175.800 -0.220 0.000 1.097 172 F CA 1.422 59.323 58.000 -0.164 0.000 1.264 172 F CB -0.184 38.757 39.000 -0.099 0.000 1.001 172 F HN 0.126 nan 8.300 nan 0.000 0.479 173 L N -0.142 120.853 121.223 -0.381 0.000 2.093 173 L HA -0.202 4.138 4.340 0.000 0.000 0.208 173 L C 2.424 179.116 176.870 -0.297 0.000 1.085 173 L CA 1.014 55.597 54.840 -0.428 0.000 0.755 173 L CB -0.701 41.119 42.059 -0.398 0.000 0.904 173 L HN 0.234 nan 8.230 nan 0.000 0.435 174 L N -0.526 120.557 121.223 -0.233 0.000 2.217 174 L HA -0.129 4.211 4.340 0.000 0.000 0.211 174 L C 2.838 179.577 176.870 -0.219 0.000 1.107 174 L CA 1.122 55.856 54.840 -0.177 0.000 0.783 174 L CB -0.510 41.477 42.059 -0.121 0.000 0.919 174 L HN 0.379 nan 8.230 nan 0.000 0.442 175 S N -1.533 113.982 115.700 -0.308 0.000 2.399 175 S HA -0.202 4.268 4.470 0.000 0.000 0.231 175 S C 1.908 176.232 174.600 -0.461 0.000 1.022 175 S CA 0.834 58.810 58.200 -0.373 0.000 0.983 175 S CB -0.494 62.443 63.200 -0.438 0.000 0.803 175 S HN 0.458 nan 8.310 nan 0.000 0.480 176 H N 1.541 120.377 119.070 -0.390 0.000 2.372 176 H HA 0.287 4.843 4.556 0.000 0.000 0.301 176 H C 2.701 177.857 175.328 -0.288 0.000 1.065 176 H CA 1.209 57.034 56.048 -0.371 0.000 1.364 176 H CB -0.737 28.767 29.762 -0.431 0.000 1.406 176 H HN 0.583 nan 8.280 nan 0.000 0.521 177 A N 0.869 123.613 122.820 -0.127 0.000 1.902 177 A HA -0.119 4.202 4.320 0.000 0.000 0.217 177 A C 2.798 180.313 177.584 -0.115 0.000 1.181 177 A CA 1.569 53.543 52.037 -0.106 0.000 0.623 177 A CB -0.890 18.053 19.000 -0.095 0.000 0.818 177 A HN 0.191 nan 8.150 nan 0.000 0.443 178 V N -0.102 119.727 119.914 -0.141 0.000 2.287 178 V HA -0.285 3.836 4.120 0.000 0.000 0.248 178 V C 3.067 179.069 176.094 -0.153 0.000 1.053 178 V CA 2.052 64.276 62.300 -0.127 0.000 1.027 178 V CB -1.274 30.471 31.823 -0.131 0.000 0.646 178 V HN 0.629 nan 8.190 nan 0.000 0.447 179 A N -0.316 122.349 122.820 -0.258 0.000 1.902 179 A HA -0.163 4.157 4.320 0.000 0.000 0.217 179 A C 2.200 179.591 177.584 -0.321 0.000 1.181 179 A CA 1.817 53.594 52.037 -0.433 0.000 0.623 179 A CB -0.560 17.937 19.000 -0.838 0.000 0.818 179 A HN 0.518 nan 8.150 nan 0.000 0.443 180 L N -0.706 120.397 121.223 -0.201 0.000 2.131 180 L HA -0.150 4.190 4.340 0.000 0.000 0.210 180 L C 2.684 179.571 176.870 0.028 0.000 1.092 180 L CA 1.597 56.419 54.840 -0.031 0.000 0.759 180 L CB -0.833 41.211 42.059 -0.025 0.000 0.903 180 L HN 0.340 nan 8.230 nan 0.000 0.435 181 T N -0.788 113.760 114.554 -0.011 0.000 2.788 181 T HA -0.157 4.193 4.350 0.000 0.000 0.268 181 T C 2.043 176.770 174.700 0.045 0.000 1.044 181 T CA 1.077 63.186 62.100 0.014 0.000 1.139 181 T CB -0.131 68.730 68.868 -0.012 0.000 0.867 181 T HN 0.291 nan 8.240 nan 0.000 0.454 182 R N 0.904 121.430 120.500 0.044 0.000 2.092 182 R HA -0.072 4.268 4.340 0.000 0.000 0.231 182 R C 2.173 178.564 176.300 0.151 0.000 1.119 182 R CA 1.315 57.464 56.100 0.082 0.000 0.970 182 R CB -0.268 30.081 30.300 0.082 0.000 0.864 182 R HN 0.384 nan 8.270 nan 0.000 0.440 183 D N -0.038 120.484 120.400 0.204 0.000 2.123 183 D HA -0.150 4.490 4.640 0.000 0.000 0.196 183 D C 1.817 178.343 176.300 0.376 0.000 0.992 183 D CA 1.291 55.478 54.000 0.311 0.000 0.833 183 D CB -0.218 40.741 40.800 0.265 0.000 0.954 183 D HN 0.051 nan 8.370 nan 0.000 0.455 184 S N 0.037 115.871 115.700 0.224 0.000 2.383 184 S HA -0.177 4.293 4.470 0.000 0.000 0.227 184 S C 1.819 176.458 174.600 0.066 0.000 1.026 184 S CA 1.244 59.529 58.200 0.142 0.000 0.981 184 S CB 0.003 63.255 63.200 0.088 0.000 0.818 184 S HN 0.245 nan 8.310 nan 0.000 0.472 185 E N 0.249 120.492 120.200 0.071 0.000 2.106 185 E HA -0.103 4.247 4.350 0.000 0.000 0.192 185 E C 2.376 178.995 176.600 0.032 0.000 0.984 185 E CA 0.752 57.176 56.400 0.039 0.000 0.806 185 E CB -0.014 29.711 29.700 0.042 0.000 0.750 185 E HN 0.416 nan 8.360 nan 0.000 0.458 186 R N -0.007 120.541 120.500 0.080 0.000 2.075 186 R HA -0.125 4.215 4.340 0.000 0.000 0.232 186 R C 2.506 178.760 176.300 -0.077 0.000 1.126 186 R CA 0.992 57.138 56.100 0.076 0.000 0.963 186 R CB -0.335 30.094 30.300 0.215 0.000 0.858 186 R HN 0.205 nan 8.270 nan 0.000 0.435 187 L N 0.459 121.530 121.223 -0.253 0.000 2.042 187 L HA -0.085 4.255 4.340 0.000 0.000 0.210 187 L C 2.054 178.756 176.870 -0.279 0.000 1.076 187 L CA 2.227 56.677 54.840 -0.649 0.000 0.749 187 L CB -1.030 40.616 42.059 -0.688 0.000 0.893 187 L HN 0.189 nan 8.230 nan 0.000 0.432 188 G N -1.266 107.449 108.800 -0.141 0.000 2.418 188 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 188 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 188 G C 1.416 176.282 174.900 -0.057 0.000 1.158 188 G CA 0.784 45.835 45.100 -0.082 0.000 0.771 188 G HN 0.565 nan 8.290 nan 0.000 0.545 189 E N -0.101 120.075 120.200 -0.040 0.000 2.106 189 E HA -0.052 4.298 4.350 0.000 0.000 0.192 189 E C 2.624 179.223 176.600 -0.003 0.000 0.984 189 E CA 0.754 57.148 56.400 -0.010 0.000 0.806 189 E CB -0.064 29.642 29.700 0.010 0.000 0.750 189 E HN 0.307 nan 8.360 nan 0.000 0.458 190 V N 1.430 121.330 119.914 -0.023 0.000 2.548 190 V HA -0.205 3.916 4.120 0.000 0.000 0.249 190 V C 2.276 178.377 176.094 0.012 0.000 1.055 190 V CA 1.494 63.805 62.300 0.018 0.000 1.065 190 V CB -0.279 31.558 31.823 0.024 0.000 0.681 190 V HN 0.166 nan 8.190 nan 0.000 0.462 191 K N 0.207 120.582 120.400 -0.042 0.000 2.103 191 K HA -0.152 4.168 4.320 0.000 0.000 0.204 191 K C 2.222 178.812 176.600 -0.017 0.000 1.052 191 K CA 1.228 57.489 56.287 -0.043 0.000 0.945 191 K CB -0.056 32.397 32.500 -0.079 0.000 0.722 191 K HN 0.336 nan 8.250 nan 0.000 0.443 192 K N 0.100 120.494 120.400 -0.011 0.000 2.147 192 K HA -0.158 4.163 4.320 0.000 0.000 0.205 192 K C 2.189 178.800 176.600 0.019 0.000 1.049 192 K CA 1.214 57.502 56.287 0.002 0.000 0.936 192 K CB -0.023 32.477 32.500 0.001 0.000 0.722 192 K HN 0.067 nan 8.250 nan 0.000 0.446 193 R N 0.528 121.046 120.500 0.029 0.000 2.240 193 R HA 0.095 4.436 4.340 0.000 0.000 0.203 193 R C 1.892 178.213 176.300 0.034 0.000 1.011 193 R CA 0.434 56.558 56.100 0.040 0.000 1.007 193 R CB 0.181 30.520 30.300 0.064 0.000 0.911 193 R HN 0.139 nan 8.270 nan 0.000 0.468 194 I N -0.155 120.436 120.570 0.036 0.000 2.852 194 I HA -0.131 4.039 4.170 0.000 0.000 0.264 194 I C 1.190 177.345 176.117 0.064 0.000 1.179 194 I CA 0.602 61.905 61.300 0.006 0.000 1.480 194 I CB -0.087 37.927 38.000 0.023 0.000 1.111 194 I HN 0.193 nan 8.210 nan 0.000 0.441 195 N N 1.258 120.007 118.700 0.081 0.000 2.581 195 N HA 0.025 4.765 4.740 0.000 0.000 0.230 195 N C -0.705 174.981 175.510 0.294 0.000 1.310 195 N CA -0.141 53.009 53.050 0.167 0.000 0.886 195 N CB 0.226 38.742 38.487 0.047 0.000 1.205 195 N HN -0.022 nan 8.380 nan 0.000 0.488 196 V N 2.104 122.136 119.914 0.197 0.000 2.448 196 V HA 0.217 4.337 4.120 0.000 0.000 0.295 196 V C 0.017 175.845 176.094 -0.444 0.000 1.025 196 V CA -0.960 61.330 62.300 -0.017 0.000 0.859 196 V CB 1.668 33.449 31.823 -0.069 0.000 0.988 196 V HN 0.137 nan 8.190 nan 0.000 0.431 197 L N 9.337 130.164 121.223 -0.661 0.000 2.477 197 L HA 0.357 4.697 4.340 0.000 0.000 0.272 197 L C -1.521 174.979 176.870 -0.616 0.000 1.157 197 L CA -0.227 53.929 54.840 -1.139 0.000 0.889 197 L CB 0.840 42.539 42.059 -0.600 0.000 1.158 197 L HN 0.441 nan 8.230 nan 0.000 0.473 198 P HA 0.037 nan 4.420 nan 0.000 0.268 198 P C 0.087 177.245 177.300 -0.238 0.000 1.248 198 P CA -0.236 62.668 63.100 -0.327 0.000 0.851 198 P CB 0.364 31.884 31.700 -0.300 0.000 1.238 199 L N 1.479 122.546 121.223 -0.260 0.000 2.513 199 L HA 0.401 4.741 4.340 0.000 0.000 0.272 199 L C 1.198 178.014 176.870 -0.090 0.000 1.187 199 L CA 1.761 56.508 54.840 -0.155 0.000 0.895 199 L CB -0.731 41.266 42.059 -0.104 0.000 1.147 199 L HN 0.383 nan 8.230 nan 0.000 0.483 200 G N 2.239 110.997 108.800 -0.070 0.000 2.205 200 G HA2 -0.232 3.728 3.960 0.000 0.000 0.180 200 G HA3 -0.232 3.728 3.960 0.000 0.000 0.180 200 G C 0.847 175.731 174.900 -0.026 0.000 1.004 200 G CA 0.199 45.298 45.100 -0.003 0.000 0.670 200 G HN 0.636 nan 8.290 nan 0.000 0.496 201 S N 0.469 116.133 115.700 -0.059 0.000 2.562 201 S HA 0.434 4.904 4.470 0.000 0.000 0.221 201 S C 1.899 176.471 174.600 -0.047 0.000 0.975 201 S CA 1.358 59.528 58.200 -0.049 0.000 0.918 201 S CB -0.070 63.096 63.200 -0.056 0.000 0.772 201 S HN 2.180 nan 8.310 nan 0.000 0.531 202 G N 1.501 110.263 108.800 -0.063 0.000 2.601 202 G HA2 -0.193 3.767 3.960 0.000 0.000 0.252 202 G HA3 -0.193 3.767 3.960 0.000 0.000 0.252 202 G C 0.761 175.609 174.900 -0.086 0.000 1.294 202 G CA -0.114 44.945 45.100 -0.067 0.000 0.912 202 G HN 0.668 nan 8.290 nan 0.000 0.574 203 A N -1.330 121.443 122.820 -0.079 0.000 2.123 203 A HA 0.600 4.920 4.320 0.000 0.000 0.214 203 A C 1.998 179.547 177.584 -0.058 0.000 1.152 203 A CA 2.372 54.351 52.037 -0.097 0.000 0.728 203 A CB -0.032 18.914 19.000 -0.090 0.000 0.814 203 A HN 1.886 nan 8.150 nan 0.000 0.464 204 L N -4.758 116.447 121.223 -0.030 0.000 1.326 204 L HA 0.246 4.587 4.340 0.000 0.000 0.115 204 L C 1.516 178.385 176.870 -0.002 0.000 1.379 204 L CA 0.828 55.666 54.840 -0.004 0.000 1.199 204 L CB -0.727 41.337 42.059 0.009 0.000 2.485 204 L HN 0.050 nan 8.230 nan 0.000 0.472 205 A N 0.777 123.594 122.820 -0.005 0.000 2.275 205 A HA 0.634 4.954 4.320 0.000 0.000 0.212 205 A C 1.005 178.585 177.584 -0.005 0.000 1.201 205 A CA 0.885 52.920 52.037 -0.003 0.000 0.843 205 A CB -0.430 18.570 19.000 -0.000 0.000 0.873 205 A HN 1.014 nan 8.150 nan 0.000 0.492 206 G N -0.506 108.288 108.800 -0.011 0.000 2.462 206 G HA2 -0.039 3.921 3.960 0.000 0.000 0.685 206 G HA3 -0.039 3.921 3.960 0.000 0.000 0.685 206 G C -0.620 174.278 174.900 -0.003 0.000 1.295 206 G CA -0.350 44.744 45.100 -0.010 0.000 0.941 206 G HN 0.629 nan 8.290 nan 0.000 0.554 207 N N 1.014 119.719 118.700 0.010 0.000 2.520 207 N HA 0.577 5.317 4.740 0.000 0.000 0.273 207 N C -0.616 174.910 175.510 0.027 0.000 1.155 207 N CA -0.905 52.165 53.050 0.034 0.000 0.967 207 N CB 1.246 39.774 38.487 0.068 0.000 1.092 207 N HN 0.369 nan 8.380 nan 0.000 0.457 208 P HA 0.153 nan 4.420 nan 0.000 0.266 208 P C -0.227 177.086 177.300 0.022 0.000 1.381 208 P CA 0.432 63.545 63.100 0.022 0.000 0.940 208 P CB 0.272 31.984 31.700 0.020 0.000 1.435 209 L N -0.557 120.682 121.223 0.027 0.000 3.122 209 L HA 0.261 4.601 4.340 0.000 0.000 0.274 209 L C 0.297 177.167 176.870 0.002 0.000 1.222 209 L CA -0.208 54.640 54.840 0.013 0.000 1.028 209 L CB -0.295 41.771 42.059 0.012 0.000 1.386 209 L HN -0.095 nan 8.230 nan 0.000 0.578 210 D N 1.680 122.084 120.400 0.006 0.000 2.737 210 D HA -0.247 4.393 4.640 0.000 0.000 0.233 210 D C 0.145 176.441 176.300 -0.007 0.000 1.155 210 D CA 0.438 54.438 54.000 -0.000 0.000 0.667 210 D CB -0.654 40.143 40.800 -0.005 0.000 1.060 210 D HN 0.205 nan 8.370 nan 0.000 0.427 211 I N 0.971 121.540 120.570 -0.001 0.000 2.775 211 I HA 0.015 4.185 4.170 0.000 0.000 0.290 211 I C 0.488 176.599 176.117 -0.010 0.000 1.203 211 I CA 0.047 61.335 61.300 -0.019 0.000 1.433 211 I CB 0.547 38.553 38.000 0.010 0.000 1.354 211 I HN 0.072 nan 8.210 nan 0.000 0.579 212 D N 6.963 127.349 120.400 -0.023 0.000 2.348 212 D HA 0.081 4.721 4.640 0.000 0.000 0.259 212 D C 1.031 177.331 176.300 0.001 0.000 1.296 212 D CA 0.165 54.158 54.000 -0.012 0.000 0.931 212 D CB 0.498 41.288 40.800 -0.017 0.000 1.067 212 D HN 0.404 nan 8.370 nan 0.000 0.503 213 R N 2.836 123.339 120.500 0.006 0.000 2.115 213 R HA -0.137 4.204 4.340 0.000 0.000 0.230 213 R C 1.508 177.814 176.300 0.011 0.000 1.111 213 R CA 0.801 56.907 56.100 0.009 0.000 0.976 213 R CB -0.114 30.183 30.300 -0.005 0.000 0.870 213 R HN 0.471 nan 8.270 nan 0.000 0.445 214 E N 1.591 121.795 120.200 0.007 0.000 2.085 214 E HA -0.209 4.141 4.350 0.000 0.000 0.194 214 E C 1.930 178.543 176.600 0.022 0.000 0.994 214 E CA 1.510 57.917 56.400 0.013 0.000 0.801 214 E CB -0.270 29.434 29.700 0.007 0.000 0.743 214 E HN 0.241 nan 8.360 nan 0.000 0.453 215 M N -0.313 119.296 119.600 0.016 0.000 2.117 215 M HA -0.156 4.324 4.480 0.000 0.000 0.262 215 M C 1.883 178.205 176.300 0.037 0.000 1.065 215 M CA 1.497 56.807 55.300 0.018 0.000 1.114 215 M CB -0.096 32.506 32.600 0.003 0.000 1.361 215 M HN 0.235 nan 8.290 nan 0.000 0.408 216 L N -0.372 120.878 121.223 0.046 0.000 2.017 216 L HA -0.223 4.117 4.340 0.000 0.000 0.208 216 L C 2.836 179.774 176.870 0.113 0.000 1.073 216 L CA 1.571 56.458 54.840 0.079 0.000 0.745 216 L CB -0.960 41.148 42.059 0.082 0.000 0.894 216 L HN 0.418 nan 8.230 nan 0.000 0.432 217 R N -0.029 120.530 120.500 0.098 0.000 2.080 217 R HA -0.222 4.118 4.340 0.000 0.000 0.236 217 R C 2.577 178.959 176.300 0.135 0.000 1.137 217 R CA 2.102 58.295 56.100 0.154 0.000 0.943 217 R CB -0.393 29.962 30.300 0.091 0.000 0.846 217 R HN 0.249 nan 8.270 nan 0.000 0.431 218 S N 0.212 115.957 115.700 0.075 0.000 2.359 218 S HA -0.164 4.306 4.470 0.000 0.000 0.224 218 S C 1.757 176.380 174.600 0.038 0.000 1.035 218 S CA 1.457 59.684 58.200 0.045 0.000 1.018 218 S CB -0.182 63.035 63.200 0.028 0.000 0.876 218 S HN 0.386 nan 8.310 nan 0.000 0.448 219 E N 1.003 121.232 120.200 0.048 0.000 2.017 219 E HA -0.072 4.278 4.350 0.000 0.000 0.193 219 E C 2.135 178.755 176.600 0.033 0.000 0.997 219 E CA 1.195 57.618 56.400 0.038 0.000 0.804 219 E CB -0.562 29.166 29.700 0.048 0.000 0.757 219 E HN 0.556 nan 8.360 nan 0.000 0.448 220 L N 0.391 121.661 121.223 0.078 0.000 2.551 220 L HA -0.029 4.311 4.340 0.000 0.000 0.228 220 L C 0.403 177.197 176.870 -0.126 0.000 1.153 220 L CA 0.451 55.316 54.840 0.042 0.000 0.851 220 L CB -0.394 41.821 42.059 0.260 0.000 0.959 220 L HN 0.173 nan 8.230 nan 0.000 0.451 221 E N -1.395 118.775 120.200 -0.050 0.000 2.868 221 E HA -0.223 4.127 4.350 0.000 0.000 0.278 221 E C -0.117 176.385 176.600 -0.163 0.000 1.009 221 E CA 0.126 56.462 56.400 -0.105 0.000 0.856 221 E CB -1.627 27.985 29.700 -0.146 0.000 1.428 221 E HN 0.284 nan 8.360 nan 0.000 0.423 222 F N -0.062 119.869 119.950 -0.032 0.000 2.403 222 F HA 0.274 4.801 4.527 0.000 0.000 0.320 222 F C 1.703 177.483 175.800 -0.034 0.000 1.176 222 F CA 0.559 58.535 58.000 -0.040 0.000 1.206 222 F CB 0.543 39.516 39.000 -0.045 0.000 1.235 222 F HN 0.031 nan 8.300 nan 0.000 0.565 223 A N 0.644 123.563 122.820 0.166 0.000 2.081 223 A HA 0.242 4.562 4.320 0.000 0.000 0.214 223 A C 0.761 178.388 177.584 0.070 0.000 1.158 223 A CA 1.011 53.095 52.037 0.079 0.000 0.724 223 A CB -0.055 18.971 19.000 0.044 0.000 0.826 223 A HN 0.541 nan 8.150 nan 0.000 0.463 224 S N -2.120 113.631 115.700 0.086 0.000 2.672 224 S HA 0.620 5.090 4.470 0.000 0.000 0.271 224 S C -1.573 173.024 174.600 -0.005 0.000 1.171 224 S CA -0.441 57.779 58.200 0.033 0.000 0.817 224 S CB 0.958 64.167 63.200 0.015 0.000 1.150 224 S HN 0.557 nan 8.310 nan 0.000 0.478 225 I N 2.347 122.895 120.570 -0.037 0.000 2.530 225 I HA 0.563 4.733 4.170 0.000 0.000 0.297 225 I C 0.136 176.201 176.117 -0.086 0.000 1.011 225 I CA -0.567 60.682 61.300 -0.085 0.000 1.107 225 I CB 2.006 39.971 38.000 -0.058 0.000 1.285 225 I HN 0.875 nan 8.210 nan 0.000 0.436 226 S N 6.574 122.199 115.700 -0.125 0.000 2.558 226 S HA 0.098 4.568 4.470 0.000 0.000 0.288 226 S C 0.893 175.458 174.600 -0.058 0.000 1.318 226 S CA -0.430 57.713 58.200 -0.096 0.000 1.056 226 S CB 0.942 64.072 63.200 -0.116 0.000 0.853 226 S HN 0.689 nan 8.310 nan 0.000 0.505 227 L N 1.222 122.422 121.223 -0.038 0.000 2.209 227 L HA 0.189 4.529 4.340 0.000 0.000 0.207 227 L C 1.069 177.928 176.870 -0.019 0.000 1.094 227 L CA 0.679 55.505 54.840 -0.024 0.000 0.790 227 L CB -0.519 41.532 42.059 -0.014 0.000 0.932 227 L HN 0.784 nan 8.230 nan 0.000 0.447 228 N N -1.281 117.408 118.700 -0.018 0.000 2.371 228 N HA 0.069 4.809 4.740 0.000 0.000 0.291 228 N C 0.842 176.344 175.510 -0.013 0.000 1.053 228 N CA 0.067 53.110 53.050 -0.011 0.000 0.870 228 N CB 1.485 39.970 38.487 -0.003 0.000 1.503 228 N HN -0.032 nan 8.380 nan 0.000 0.485 229 S N 3.564 119.256 115.700 -0.013 0.000 2.382 229 S HA -0.209 4.262 4.470 0.000 0.000 0.228 229 S C 1.621 176.220 174.600 -0.002 0.000 1.027 229 S CA 0.946 59.138 58.200 -0.015 0.000 0.991 229 S CB -0.292 62.900 63.200 -0.014 0.000 0.823 229 S HN 0.674 nan 8.310 nan 0.000 0.469 230 M N 1.487 121.091 119.600 0.007 0.000 2.099 230 M HA -0.055 4.425 4.480 0.000 0.000 0.262 230 M C 2.300 178.617 176.300 0.028 0.000 1.067 230 M CA 2.098 57.410 55.300 0.020 0.000 1.124 230 M CB -0.684 31.927 32.600 0.018 0.000 1.353 230 M HN 0.391 nan 8.290 nan 0.000 0.410 231 D N 0.436 120.849 120.400 0.021 0.000 2.104 231 D HA -0.155 4.485 4.640 0.000 0.000 0.194 231 D C 1.883 178.206 176.300 0.038 0.000 0.994 231 D CA 1.880 55.898 54.000 0.029 0.000 0.830 231 D CB 0.060 40.873 40.800 0.021 0.000 0.959 231 D HN 0.288 nan 8.370 nan 0.000 0.452 232 A N -0.094 122.735 122.820 0.015 0.000 1.978 232 A HA -0.132 4.188 4.320 0.000 0.000 0.220 232 A C 2.405 180.007 177.584 0.030 0.000 1.170 232 A CA 1.147 53.184 52.037 -0.001 0.000 0.636 232 A CB -0.689 18.283 19.000 -0.048 0.000 0.810 232 A HN 0.458 nan 8.150 nan 0.000 0.448 233 I N -0.341 120.255 120.570 0.044 0.000 2.585 233 I HA -0.126 4.044 4.170 0.000 0.000 0.254 233 I C 2.567 178.775 176.117 0.152 0.000 1.129 233 I CA 1.349 62.698 61.300 0.082 0.000 1.455 233 I CB 0.073 38.108 38.000 0.058 0.000 1.111 233 I HN 0.510 nan 8.210 nan 0.000 0.433 234 S N 0.044 115.814 115.700 0.117 0.000 2.492 234 S HA 0.001 4.471 4.470 0.000 0.000 0.218 234 S C 0.707 175.354 174.600 0.078 0.000 1.016 234 S CA -0.405 57.854 58.200 0.098 0.000 0.916 234 S CB -0.369 62.867 63.200 0.061 0.000 0.791 234 S HN 0.427 nan 8.310 nan 0.000 0.513 235 E N 1.332 121.592 120.200 0.100 0.000 2.366 235 E HA 0.380 4.730 4.350 0.000 0.000 0.266 235 E C 0.142 176.835 176.600 0.156 0.000 1.051 235 E CA -0.592 55.872 56.400 0.106 0.000 0.884 235 E CB 0.461 30.230 29.700 0.116 0.000 1.006 235 E HN -0.005 nan 8.360 nan 0.000 0.417 236 R N 2.507 123.027 120.500 0.034 0.000 2.637 236 R HA 0.120 4.461 4.340 0.000 0.000 0.446 236 R C -0.527 175.631 176.300 -0.238 0.000 1.024 236 R CA -0.214 55.769 56.100 -0.196 0.000 1.080 236 R CB 0.110 30.279 30.300 -0.219 0.000 1.421 236 R HN 0.625 nan 8.270 nan 0.000 0.593 237 D N 0.642 121.044 120.400 0.003 0.000 2.117 237 D HA -0.178 4.462 4.640 0.000 0.000 0.197 237 D C 1.653 177.985 176.300 0.054 0.000 0.987 237 D CA 1.358 55.384 54.000 0.042 0.000 0.829 237 D CB -0.236 40.632 40.800 0.114 0.000 0.961 237 D HN 0.359 nan 8.370 nan 0.000 0.460 238 F N -0.048 119.936 119.950 0.057 0.000 2.202 238 F HA -0.122 4.405 4.527 0.001 0.000 0.301 238 F C 1.947 177.823 175.800 0.126 0.000 1.082 238 F CA 0.561 58.607 58.000 0.078 0.000 1.313 238 F CB -0.867 38.166 39.000 0.055 0.000 1.024 238 F HN -0.160 nan 8.300 nan 0.000 0.495 239 V N 0.539 120.051 119.914 -0.670 0.000 2.302 239 V HA -0.193 3.928 4.120 0.000 0.000 0.243 239 V C 2.558 178.616 176.094 -0.060 0.000 1.036 239 V CA 1.456 63.540 62.300 -0.359 0.000 1.020 239 V CB -0.572 30.935 31.823 -0.527 0.000 0.657 239 V HN 0.340 nan 8.190 nan 0.000 0.453 240 V N -0.018 119.836 119.914 -0.101 0.000 2.287 240 V HA -0.299 3.822 4.120 0.000 0.000 0.248 240 V C 2.493 178.608 176.094 0.034 0.000 1.053 240 V CA 2.202 64.482 62.300 -0.033 0.000 1.027 240 V CB -0.653 31.146 31.823 -0.040 0.000 0.646 240 V HN 0.598 nan 8.190 nan 0.000 0.447 241 E N -0.745 119.501 120.200 0.077 0.000 2.058 241 E HA -0.259 4.091 4.350 0.000 0.000 0.194 241 E C 2.080 178.800 176.600 0.199 0.000 0.997 241 E CA 1.723 58.199 56.400 0.127 0.000 0.801 241 E CB -0.248 29.541 29.700 0.148 0.000 0.746 241 E HN 0.612 nan 8.360 nan 0.000 0.450 242 F N 1.578 121.589 119.950 0.101 0.000 2.126 242 F HA -0.176 4.351 4.527 0.000 0.000 0.299 242 F C 1.944 177.870 175.800 0.210 0.000 1.096 242 F CA 1.287 59.391 58.000 0.173 0.000 1.255 242 F CB -0.309 38.773 39.000 0.137 0.000 0.997 242 F HN -0.081 nan 8.300 nan 0.000 0.479 243 L N -0.752 120.421 121.223 -0.082 0.000 2.141 243 L HA -0.197 4.143 4.340 0.000 0.000 0.209 243 L C 2.491 179.272 176.870 -0.149 0.000 1.094 243 L CA 1.288 56.002 54.840 -0.210 0.000 0.763 243 L CB -0.982 41.025 42.059 -0.088 0.000 0.908 243 L HN 0.086 nan 8.230 nan 0.000 0.437 244 S N 0.107 115.782 115.700 -0.040 0.000 2.368 244 S HA -0.186 4.284 4.470 0.000 0.000 0.224 244 S C 1.780 176.361 174.600 -0.031 0.000 1.029 244 S CA 1.375 59.565 58.200 -0.016 0.000 0.988 244 S CB -0.402 62.817 63.200 0.031 0.000 0.838 244 S HN 0.445 nan 8.310 nan 0.000 0.462 245 F N 2.959 122.837 119.950 -0.119 0.000 2.095 245 F HA -0.120 4.407 4.527 0.000 0.000 0.298 245 F C 2.274 177.968 175.800 -0.176 0.000 1.104 245 F CA 1.157 59.090 58.000 -0.110 0.000 1.232 245 F CB -0.929 38.039 39.000 -0.053 0.000 0.987 245 F HN 0.158 nan 8.300 nan 0.000 0.475 246 A N -0.012 122.402 122.820 -0.676 0.000 1.877 246 A HA -0.163 4.157 4.320 0.000 0.000 0.216 246 A C 2.210 179.506 177.584 -0.480 0.000 1.186 246 A CA 2.386 53.966 52.037 -0.763 0.000 0.620 246 A CB -1.529 17.092 19.000 -0.632 0.000 0.822 246 A HN 0.499 nan 8.150 nan 0.000 0.443 247 T N 0.135 114.506 114.554 -0.306 0.000 2.708 247 T HA -0.075 4.275 4.350 0.000 0.000 0.266 247 T C 1.836 176.384 174.700 -0.253 0.000 1.037 247 T CA 1.243 63.231 62.100 -0.187 0.000 1.146 247 T CB -0.321 68.521 68.868 -0.042 0.000 0.865 247 T HN 0.327 nan 8.240 nan 0.000 0.435 248 L N 0.730 121.776 121.223 -0.296 0.000 2.083 248 L HA -0.051 4.290 4.340 0.000 0.000 0.209 248 L C 2.391 178.918 176.870 -0.571 0.000 1.083 248 L CA 1.123 55.727 54.840 -0.393 0.000 0.752 248 L CB -0.374 41.497 42.059 -0.314 0.000 0.899 248 L HN 0.272 nan 8.230 nan 0.000 0.433 249 L N -0.420 120.494 121.223 -0.515 0.000 2.046 249 L HA -0.242 4.098 4.340 0.000 0.000 0.208 249 L C 2.416 179.123 176.870 -0.272 0.000 1.077 249 L CA 1.841 56.437 54.840 -0.408 0.000 0.747 249 L CB -0.511 41.185 42.059 -0.605 0.000 0.896 249 L HN 0.177 nan 8.230 nan 0.000 0.432 250 M N -0.697 118.738 119.600 -0.276 0.000 2.159 250 M HA -0.156 4.324 4.480 0.000 0.000 0.263 250 M C 2.297 178.508 176.300 -0.148 0.000 1.063 250 M CA 1.283 56.479 55.300 -0.174 0.000 1.110 250 M CB -1.043 31.468 32.600 -0.148 0.000 1.374 250 M HN 0.262 nan 8.290 nan 0.000 0.411 251 I N -0.488 119.959 120.570 -0.206 0.000 2.163 251 I HA -0.311 3.859 4.170 0.000 0.000 0.243 251 I C 2.310 178.384 176.117 -0.072 0.000 1.085 251 I CA 1.699 62.896 61.300 -0.172 0.000 1.347 251 I CB -1.457 36.400 38.000 -0.239 0.000 1.044 251 I HN 0.424 nan 8.210 nan 0.000 0.408 252 H N 0.155 119.171 119.070 -0.091 0.000 2.319 252 H HA -0.138 4.418 4.556 0.000 0.000 0.299 252 H C 2.394 177.682 175.328 -0.068 0.000 1.092 252 H CA 0.972 56.984 56.048 -0.061 0.000 1.302 252 H CB 0.029 29.753 29.762 -0.063 0.000 1.373 252 H HN 0.226 nan 8.280 nan 0.000 0.497 253 L N 0.400 121.642 121.223 0.032 0.000 2.141 253 L HA -0.152 4.188 4.340 0.000 0.000 0.209 253 L C 2.752 179.580 176.870 -0.071 0.000 1.094 253 L CA 1.079 55.889 54.840 -0.050 0.000 0.763 253 L CB -0.336 41.684 42.059 -0.065 0.000 0.908 253 L HN 0.378 nan 8.230 nan 0.000 0.437 254 S N -0.159 115.506 115.700 -0.058 0.000 2.383 254 S HA -0.246 4.224 4.470 0.000 0.000 0.227 254 S C 2.013 176.577 174.600 -0.059 0.000 1.026 254 S CA 1.201 59.362 58.200 -0.064 0.000 0.981 254 S CB -0.218 62.942 63.200 -0.067 0.000 0.818 254 S HN 0.385 nan 8.310 nan 0.000 0.472 255 K N 0.769 121.153 120.400 -0.027 0.000 2.025 255 K HA 0.005 4.325 4.320 0.000 0.000 0.207 255 K C 2.422 179.006 176.600 -0.027 0.000 1.049 255 K CA 1.360 57.650 56.287 0.005 0.000 0.933 255 K CB -0.327 32.219 32.500 0.076 0.000 0.714 255 K HN 0.497 nan 8.250 nan 0.000 0.438 256 M N 0.328 119.848 119.600 -0.133 0.000 2.159 256 M HA -0.131 4.349 4.480 0.000 0.000 0.263 256 M C 1.980 178.134 176.300 -0.242 0.000 1.063 256 M CA 1.722 56.762 55.300 -0.433 0.000 1.110 256 M CB -0.082 32.113 32.600 -0.675 0.000 1.374 256 M HN 0.285 nan 8.290 nan 0.000 0.411 257 A N -0.008 122.714 122.820 -0.164 0.000 1.898 257 A HA -0.220 4.100 4.320 0.000 0.000 0.216 257 A C 1.835 179.341 177.584 -0.130 0.000 1.181 257 A CA 2.036 53.997 52.037 -0.125 0.000 0.620 257 A CB -0.835 18.108 19.000 -0.095 0.000 0.819 257 A HN 0.649 nan 8.150 nan 0.000 0.442 258 E N 0.590 120.715 120.200 -0.125 0.000 2.058 258 E HA -0.223 4.128 4.350 0.000 0.000 0.194 258 E C 1.434 177.895 176.600 -0.230 0.000 0.997 258 E CA 1.834 58.148 56.400 -0.143 0.000 0.801 258 E CB -0.256 29.380 29.700 -0.107 0.000 0.746 258 E HN 0.540 nan 8.360 nan 0.000 0.450 259 D N 0.170 120.427 120.400 -0.238 0.000 2.092 259 D HA -0.171 4.469 4.640 0.000 0.000 0.193 259 D C 2.110 177.996 176.300 -0.689 0.000 0.994 259 D CA 1.347 55.060 54.000 -0.479 0.000 0.828 259 D CB -0.302 40.412 40.800 -0.143 0.000 0.963 259 D HN 0.285 nan 8.370 nan 0.000 0.450 260 L N 0.521 121.562 121.223 -0.304 0.000 2.141 260 L HA -0.101 4.239 4.340 0.000 0.000 0.209 260 L C 2.589 179.379 176.870 -0.134 0.000 1.094 260 L CA 0.434 55.193 54.840 -0.134 0.000 0.763 260 L CB -0.254 41.806 42.059 0.002 0.000 0.908 260 L HN 0.026 nan 8.230 nan 0.000 0.437 261 I N -0.005 120.461 120.570 -0.172 0.000 2.179 261 I HA -0.322 3.848 4.170 0.000 0.000 0.242 261 I C 2.427 178.422 176.117 -0.203 0.000 1.088 261 I CA 1.590 62.804 61.300 -0.142 0.000 1.357 261 I CB -0.121 37.802 38.000 -0.130 0.000 1.051 261 I HN 0.180 nan 8.210 nan 0.000 0.409 262 I N -0.421 119.942 120.570 -0.345 0.000 2.252 262 I HA -0.304 3.866 4.170 0.000 0.000 0.245 262 I C 2.389 178.153 176.117 -0.589 0.000 1.102 262 I CA 1.263 62.238 61.300 -0.542 0.000 1.385 262 I CB -0.450 37.109 38.000 -0.734 0.000 1.064 262 I HN 0.182 nan 8.210 nan 0.000 0.414 263 Y N 0.932 120.915 120.300 -0.529 0.000 2.333 263 Y HA -0.157 4.394 4.550 0.000 0.000 0.290 263 Y C 2.914 178.709 175.900 -0.174 0.000 1.144 263 Y CA 0.913 58.808 58.100 -0.343 0.000 1.228 263 Y CB -1.283 37.169 38.460 -0.014 0.000 0.985 263 Y HN 0.289 nan 8.280 nan 0.000 0.542 264 S N -0.863 114.850 115.700 0.022 0.000 2.593 264 S HA 0.005 4.475 4.470 0.000 0.000 0.217 264 S C 0.927 175.523 174.600 -0.006 0.000 0.966 264 S CA 0.026 58.239 58.200 0.022 0.000 0.914 264 S CB -1.204 62.011 63.200 0.024 0.000 0.776 264 S HN 0.389 nan 8.310 nan 0.000 0.523 265 T N 0.614 115.146 114.554 -0.037 0.000 2.856 265 T HA 0.293 4.643 4.350 0.000 0.000 0.306 265 T C 1.402 176.114 174.700 0.020 0.000 1.062 265 T CA 0.010 62.105 62.100 -0.008 0.000 1.083 265 T CB 1.111 69.981 68.868 0.004 0.000 0.984 265 T HN 0.326 nan 8.240 nan 0.000 0.542 266 S N 0.522 116.232 115.700 0.018 0.000 2.423 266 S HA -0.122 4.348 4.470 0.000 0.000 0.231 266 S C 1.561 176.165 174.600 0.007 0.000 1.014 266 S CA 0.754 58.961 58.200 0.011 0.000 0.965 266 S CB -0.566 62.638 63.200 0.006 0.000 0.785 266 S HN 0.782 nan 8.310 nan 0.000 0.495 267 E N 1.163 121.384 120.200 0.035 0.000 2.051 267 E HA 0.042 4.393 4.350 0.000 0.000 0.192 267 E C 1.511 178.063 176.600 -0.080 0.000 0.991 267 E CA 1.357 57.764 56.400 0.010 0.000 0.799 267 E CB -0.479 29.269 29.700 0.079 0.000 0.748 267 E HN 0.611 nan 8.360 nan 0.000 0.449 268 F N -0.626 119.153 119.950 -0.286 0.000 2.147 268 F HA 0.188 4.715 4.527 -0.000 0.000 0.291 268 F C 1.910 177.368 175.800 -0.569 0.000 1.093 268 F CA 1.234 58.862 58.000 -0.620 0.000 1.263 268 F CB -0.608 37.899 39.000 -0.823 0.000 1.036 268 F HN 0.180 nan 8.300 nan 0.000 0.481 269 G N -0.394 108.339 108.800 -0.111 0.000 2.225 269 G HA2 -0.311 3.649 3.960 0.000 0.000 0.267 269 G HA3 -0.311 3.649 3.960 0.000 0.000 0.267 269 G C 0.734 175.699 174.900 0.107 0.000 1.024 269 G CA 0.458 45.550 45.100 -0.014 0.000 0.784 269 G HN 0.232 nan 8.290 nan 0.000 0.507 270 F N -0.700 119.248 119.950 -0.004 0.000 2.367 270 F HA 0.387 4.914 4.527 0.000 0.000 0.298 270 F C 1.507 177.206 175.800 -0.168 0.000 1.094 270 F CA 0.832 58.749 58.000 -0.139 0.000 1.409 270 F CB -0.337 38.511 39.000 -0.254 0.000 1.064 270 F HN 0.471 nan 8.300 nan 0.000 0.528 271 L N -3.991 117.299 121.223 0.111 0.000 2.720 271 L HA 0.794 5.134 4.340 0.000 0.000 0.261 271 L C -0.815 176.088 176.870 0.056 0.000 1.046 271 L CA -0.784 54.081 54.840 0.043 0.000 0.886 271 L CB 1.860 43.945 42.059 0.043 0.000 1.493 271 L HN -0.373 nan 8.230 nan 0.000 0.407 272 T N 1.771 116.354 114.554 0.049 0.000 2.921 272 T HA 0.622 4.972 4.350 0.000 0.000 0.297 272 T C -0.690 174.052 174.700 0.070 0.000 1.013 272 T CA -0.509 61.623 62.100 0.052 0.000 0.990 272 T CB 1.507 70.398 68.868 0.039 0.000 1.023 272 T HN 0.520 nan 8.240 nan 0.000 0.447 273 L N 2.924 124.193 121.223 0.078 0.000 2.452 273 L HA 0.369 4.709 4.340 0.000 0.000 0.267 273 L C 1.432 178.374 176.870 0.120 0.000 1.188 273 L CA 0.010 54.916 54.840 0.109 0.000 0.821 273 L CB 0.619 42.747 42.059 0.115 0.000 1.102 273 L HN 0.913 nan 8.230 nan 0.000 0.470 274 S N 0.347 116.155 115.700 0.179 0.000 2.600 274 S HA 0.076 4.547 4.470 0.000 0.000 0.265 274 S C 0.762 175.422 174.600 0.099 0.000 1.325 274 S CA -0.619 57.671 58.200 0.150 0.000 1.002 274 S CB 0.928 64.258 63.200 0.216 0.000 0.921 274 S HN 0.543 nan 8.310 nan 0.000 0.554 275 D N 1.459 121.880 120.400 0.035 0.000 2.149 275 D HA -0.067 4.573 4.640 0.000 0.000 0.198 275 D C 2.135 178.390 176.300 -0.075 0.000 0.990 275 D CA 1.847 55.840 54.000 -0.010 0.000 0.839 275 D CB -0.782 40.006 40.800 -0.020 0.000 0.948 275 D HN 0.730 nan 8.370 nan 0.000 0.460 276 A N -0.367 122.347 122.820 -0.177 0.000 2.015 276 A HA -0.088 4.233 4.320 0.000 0.000 0.219 276 A C 1.292 178.541 177.584 -0.558 0.000 1.163 276 A CA 0.708 52.491 52.037 -0.423 0.000 0.646 276 A CB -0.531 18.080 19.000 -0.649 0.000 0.806 276 A HN 0.218 nan 8.150 nan 0.000 0.448 277 F N 0.413 120.367 119.950 0.007 0.000 2.837 277 F HA 0.314 4.841 4.527 0.000 0.000 0.298 277 F C 0.792 176.593 175.800 0.003 0.000 1.161 277 F CA 0.373 58.376 58.000 0.004 0.000 1.353 277 F CB 0.243 39.247 39.000 0.007 0.000 0.951 277 F HN 0.210 nan 8.300 nan 0.000 0.508 278 S N -1.432 114.316 115.700 0.080 0.000 2.636 278 S HA 0.764 5.234 4.470 0.000 0.000 0.268 278 S C -0.581 174.030 174.600 0.018 0.000 1.159 278 S CA -0.693 57.542 58.200 0.058 0.000 0.815 278 S CB 2.045 65.285 63.200 0.067 0.000 1.130 278 S HN 0.036 nan 8.310 nan 0.000 0.471 279 T N -1.997 112.566 114.554 0.015 0.000 2.906 279 T HA 0.922 5.273 4.350 0.000 0.000 0.295 279 T C 0.257 174.960 174.700 0.005 0.000 1.075 279 T CA -0.277 61.826 62.100 0.004 0.000 1.005 279 T CB 1.281 70.151 68.868 0.002 0.000 1.136 279 T HN 1.485 nan 8.240 nan 0.000 0.498 280 G N 0.171 108.972 108.800 0.001 0.000 3.183 280 G HA2 0.779 4.739 3.960 0.000 0.000 0.247 280 G HA3 0.779 4.739 3.960 0.000 0.000 0.247 280 G C -0.921 173.979 174.900 0.000 0.000 1.211 280 G CA -0.429 44.672 45.100 0.002 0.000 0.835 280 G HN 1.641 nan 8.290 nan 0.000 0.604 281 S N -1.791 113.910 115.700 0.000 0.000 2.533 281 S HA 0.500 4.970 4.470 0.000 0.000 0.271 281 S C 0.554 175.154 174.600 -0.000 0.000 1.143 281 S CA 0.313 58.513 58.200 -0.000 0.000 0.891 281 S CB 1.570 64.770 63.200 0.000 0.000 1.105 281 S HN 0.579 nan 8.310 nan 0.000 0.468 282 S N 1.438 117.137 115.700 -0.001 0.000 2.383 282 S HA -0.079 4.391 4.470 0.000 0.000 0.229 282 S C 1.648 176.248 174.600 -0.000 0.000 1.030 282 S CA 1.157 59.357 58.200 -0.001 0.000 1.002 282 S CB -0.514 62.685 63.200 -0.001 0.000 0.829 282 S HN 0.695 nan 8.310 nan 0.000 0.467 283 L N -0.100 121.123 121.223 -0.000 0.000 2.395 283 L HA 0.250 4.590 4.340 0.000 0.000 0.218 283 L C 0.870 177.740 176.870 0.001 0.000 1.130 283 L CA 1.187 56.027 54.840 0.000 0.000 0.826 283 L CB -1.275 40.785 42.059 0.000 0.000 0.941 283 L HN 0.385 nan 8.230 nan 0.000 0.451 284 M N 0.825 120.425 119.600 0.001 0.000 3.053 284 M HA 0.188 4.668 4.480 0.000 0.000 0.293 284 M C -1.521 174.780 176.300 0.002 0.000 1.470 284 M CA -0.977 54.325 55.300 0.002 0.000 0.582 284 M CB 1.760 34.361 32.600 0.002 0.000 1.435 284 M HN -0.214 nan 8.290 nan 0.000 0.451 285 P HA -0.238 nan 4.420 nan 0.000 0.218 285 P C 0.505 177.807 177.300 0.004 0.000 1.154 285 P CA 1.834 64.936 63.100 0.003 0.000 0.872 285 P CB 0.035 31.736 31.700 0.002 0.000 0.790 286 Q N -0.389 119.414 119.800 0.005 0.000 2.466 286 Q HA 0.050 4.390 4.340 0.000 0.000 0.210 286 Q C 0.985 176.989 176.000 0.007 0.000 0.961 286 Q CA 0.619 56.426 55.803 0.006 0.000 0.953 286 Q CB -0.541 28.200 28.738 0.005 0.000 1.011 286 Q HN 0.312 nan 8.270 nan 0.000 0.516 287 K N 1.360 121.764 120.400 0.006 0.000 2.235 287 K HA 0.343 4.664 4.320 0.000 0.000 0.266 287 K C -1.015 175.590 176.600 0.009 0.000 0.980 287 K CA -0.404 55.887 56.287 0.007 0.000 0.849 287 K CB 0.734 33.236 32.500 0.005 0.000 1.098 287 K HN -0.067 nan 8.250 nan 0.000 0.445 288 K N 3.206 123.613 120.400 0.012 0.000 2.397 288 K HA 0.340 4.660 4.320 0.000 0.000 0.253 288 K C -0.895 175.713 176.600 0.014 0.000 0.932 288 K CA -0.959 55.338 56.287 0.016 0.000 0.795 288 K CB 1.543 34.057 32.500 0.024 0.000 1.159 288 K HN 0.554 nan 8.250 nan 0.000 0.424 289 N N 3.503 122.211 118.700 0.013 0.000 2.456 289 N HA 0.215 4.955 4.740 0.000 0.000 0.288 289 N C -2.375 173.146 175.510 0.018 0.000 1.059 289 N CA -1.571 51.484 53.050 0.010 0.000 0.946 289 N CB 1.424 39.914 38.487 0.006 0.000 1.150 289 N HN 0.298 nan 8.380 nan 0.000 0.479 290 P HA 0.153 nan 4.420 nan 0.000 0.220 290 P C -0.284 177.030 177.300 0.024 0.000 1.806 290 P CA -0.121 62.992 63.100 0.023 0.000 0.976 290 P CB 0.107 31.809 31.700 0.003 0.000 1.952 291 D N 1.123 121.543 120.400 0.034 0.000 2.126 291 D HA -0.217 4.423 4.640 0.000 0.000 0.190 291 D C 2.245 178.571 176.300 0.043 0.000 1.001 291 D CA 2.489 56.508 54.000 0.032 0.000 0.841 291 D CB -0.353 40.467 40.800 0.033 0.000 0.949 291 D HN 0.299 nan 8.370 nan 0.000 0.446 292 S N 0.321 116.070 115.700 0.081 0.000 2.359 292 S HA -0.216 4.254 4.470 0.000 0.000 0.223 292 S C 2.196 176.814 174.600 0.030 0.000 1.039 292 S CA 1.096 59.353 58.200 0.095 0.000 1.042 292 S CB -0.972 62.337 63.200 0.181 0.000 0.915 292 S HN 0.300 nan 8.310 nan 0.000 0.439 293 L N 1.464 122.692 121.223 0.009 0.000 2.083 293 L HA -0.087 4.253 4.340 0.000 0.000 0.209 293 L C 2.979 179.833 176.870 -0.028 0.000 1.083 293 L CA 1.705 56.529 54.840 -0.026 0.000 0.752 293 L CB -0.789 41.246 42.059 -0.038 0.000 0.899 293 L HN 0.421 nan 8.230 nan 0.000 0.433 294 E N 0.307 120.497 120.200 -0.015 0.000 2.110 294 E HA -0.188 4.162 4.350 0.000 0.000 0.193 294 E C 2.373 178.966 176.600 -0.013 0.000 0.988 294 E CA 0.944 57.333 56.400 -0.018 0.000 0.804 294 E CB -0.104 29.589 29.700 -0.012 0.000 0.745 294 E HN 0.482 nan 8.360 nan 0.000 0.458 295 L N 0.660 121.882 121.223 -0.002 0.000 2.027 295 L HA -0.190 4.150 4.340 0.000 0.000 0.206 295 L C 2.488 179.353 176.870 -0.009 0.000 1.074 295 L CA 0.988 55.829 54.840 0.002 0.000 0.745 295 L CB -0.354 41.715 42.059 0.016 0.000 0.898 295 L HN 0.138 nan 8.230 nan 0.000 0.433 296 I N -0.379 120.182 120.570 -0.016 0.000 2.163 296 I HA -0.354 3.816 4.170 0.000 0.000 0.243 296 I C 2.867 178.960 176.117 -0.039 0.000 1.085 296 I CA 1.438 62.719 61.300 -0.031 0.000 1.347 296 I CB -0.380 37.592 38.000 -0.047 0.000 1.044 296 I HN 0.272 nan 8.210 nan 0.000 0.408 297 R N 1.174 121.649 120.500 -0.042 0.000 2.091 297 R HA -0.195 4.146 4.340 0.000 0.000 0.238 297 R C 2.418 178.696 176.300 -0.036 0.000 1.136 297 R CA 2.080 58.152 56.100 -0.046 0.000 0.959 297 R CB -0.285 29.985 30.300 -0.050 0.000 0.856 297 R HN 0.467 nan 8.270 nan 0.000 0.437 298 S N 0.017 115.702 115.700 -0.025 0.000 2.474 298 S HA -0.014 4.456 4.470 0.000 0.000 0.235 298 S C 1.437 176.032 174.600 -0.009 0.000 0.997 298 S CA 0.540 58.731 58.200 -0.014 0.000 0.949 298 S CB 0.073 63.268 63.200 -0.008 0.000 0.766 298 S HN 0.239 nan 8.310 nan 0.000 0.517 299 K N 1.555 121.946 120.400 -0.015 0.000 2.296 299 K HA 0.321 4.641 4.320 0.000 0.000 0.200 299 K C 2.299 178.889 176.600 -0.015 0.000 1.048 299 K CA 0.906 57.186 56.287 -0.012 0.000 0.966 299 K CB -0.911 31.579 32.500 -0.017 0.000 0.754 299 K HN 0.490 nan 8.250 nan 0.000 0.466 300 A N 1.271 124.075 122.820 -0.027 0.000 1.883 300 A HA -0.110 4.211 4.320 0.000 0.000 0.217 300 A C 2.450 180.053 177.584 0.031 0.000 1.186 300 A CA 2.160 54.178 52.037 -0.031 0.000 0.624 300 A CB -1.100 17.862 19.000 -0.063 0.000 0.822 300 A HN 0.356 nan 8.150 nan 0.000 0.444 301 G N -0.959 107.866 108.800 0.042 0.000 2.402 301 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 301 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 301 G C 1.736 176.701 174.900 0.108 0.000 1.162 301 G CA 0.960 46.132 45.100 0.120 0.000 0.777 301 G HN 0.548 nan 8.290 nan 0.000 0.539 302 R N -0.071 120.455 120.500 0.043 0.000 2.073 302 R HA -0.053 4.287 4.340 0.000 0.000 0.234 302 R C 2.595 178.895 176.300 -0.000 0.000 1.134 302 R CA 1.607 57.716 56.100 0.014 0.000 0.952 302 R CB -0.404 29.900 30.300 0.006 0.000 0.850 302 R HN 0.264 nan 8.270 nan 0.000 0.433 303 V N 0.889 120.806 119.914 0.005 0.000 2.358 303 V HA -0.224 3.896 4.120 0.000 0.000 0.246 303 V C 2.055 178.145 176.094 -0.007 0.000 1.047 303 V CA 1.788 64.074 62.300 -0.023 0.000 1.035 303 V CB -0.709 31.078 31.823 -0.060 0.000 0.658 303 V HN 0.350 nan 8.190 nan 0.000 0.452 304 F N 2.372 122.265 119.950 -0.096 0.000 2.126 304 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 304 F C 2.118 177.875 175.800 -0.072 0.000 1.096 304 F CA 1.612 59.558 58.000 -0.090 0.000 1.255 304 F CB -1.000 37.951 39.000 -0.081 0.000 0.997 304 F HN 0.131 nan 8.300 nan 0.000 0.479 305 G N 0.754 109.361 108.800 -0.321 0.000 2.442 305 G HA2 -0.245 3.715 3.960 0.000 0.000 0.219 305 G HA3 -0.245 3.715 3.960 0.000 0.000 0.219 305 G C 1.808 176.518 174.900 -0.316 0.000 1.141 305 G CA 0.606 45.465 45.100 -0.401 0.000 0.763 305 G HN 0.224 nan 8.290 nan 0.000 0.554 306 R N -0.226 120.153 120.500 -0.202 0.000 2.092 306 R HA 0.025 4.365 4.340 0.000 0.000 0.231 306 R C 2.444 178.639 176.300 -0.175 0.000 1.119 306 R CA 0.784 56.792 56.100 -0.154 0.000 0.970 306 R CB -1.216 29.029 30.300 -0.091 0.000 0.864 306 R HN 0.458 nan 8.270 nan 0.000 0.440 307 L N 0.926 122.029 121.223 -0.200 0.000 1.994 307 L HA -0.062 4.279 4.340 0.000 0.000 0.208 307 L C 2.212 178.950 176.870 -0.220 0.000 1.071 307 L CA 2.171 56.910 54.840 -0.169 0.000 0.745 307 L CB -0.953 41.041 42.059 -0.108 0.000 0.892 307 L HN 0.147 nan 8.230 nan 0.000 0.431 308 A N -0.643 121.941 122.820 -0.393 0.000 1.883 308 A HA -0.253 4.067 4.320 0.000 0.000 0.217 308 A C 2.519 179.964 177.584 -0.231 0.000 1.186 308 A CA 2.528 54.343 52.037 -0.370 0.000 0.624 308 A CB -1.316 17.319 19.000 -0.609 0.000 0.822 308 A HN 0.714 nan 8.150 nan 0.000 0.444 309 S N 0.074 115.642 115.700 -0.219 0.000 2.356 309 S HA -0.165 4.306 4.470 0.000 0.000 0.223 309 S C 1.831 176.352 174.600 -0.132 0.000 1.032 309 S CA 1.569 59.675 58.200 -0.158 0.000 1.005 309 S CB -0.629 62.484 63.200 -0.146 0.000 0.867 309 S HN 0.313 nan 8.310 nan 0.000 0.449 310 I N 1.645 122.136 120.570 -0.132 0.000 2.163 310 I HA -0.067 4.103 4.170 0.000 0.000 0.243 310 I C 2.488 178.543 176.117 -0.104 0.000 1.085 310 I CA 0.802 62.031 61.300 -0.118 0.000 1.347 310 I CB -1.679 36.251 38.000 -0.118 0.000 1.044 310 I HN 0.287 nan 8.210 nan 0.000 0.408 311 L N 0.040 121.203 121.223 -0.100 0.000 2.012 311 L HA -0.209 4.131 4.340 0.000 0.000 0.210 311 L C 2.651 179.477 176.870 -0.074 0.000 1.073 311 L CA 1.934 56.728 54.840 -0.078 0.000 0.748 311 L CB -0.938 41.078 42.059 -0.071 0.000 0.891 311 L HN 0.261 nan 8.230 nan 0.000 0.431 312 M N -1.917 117.632 119.600 -0.085 0.000 2.229 312 M HA -0.141 4.340 4.480 0.000 0.000 0.264 312 M C 1.914 178.170 176.300 -0.072 0.000 1.063 312 M CA 1.330 56.586 55.300 -0.073 0.000 1.114 312 M CB -0.011 32.542 32.600 -0.079 0.000 1.387 312 M HN 0.038 nan 8.290 nan 0.000 0.420 313 V N 0.685 120.549 119.914 -0.083 0.000 2.427 313 V HA -0.239 3.881 4.120 0.000 0.000 0.248 313 V C 2.272 178.318 176.094 -0.080 0.000 1.051 313 V CA 1.563 63.812 62.300 -0.084 0.000 1.048 313 V CB -0.657 31.109 31.823 -0.095 0.000 0.666 313 V HN 0.543 nan 8.190 nan 0.000 0.456 314 L N -0.659 120.518 121.223 -0.077 0.000 2.131 314 L HA 0.013 4.353 4.340 0.000 0.000 0.206 314 L C 1.562 178.399 176.870 -0.054 0.000 1.087 314 L CA 0.607 55.406 54.840 -0.068 0.000 0.767 314 L CB -0.345 41.675 42.059 -0.065 0.000 0.917 314 L HN 0.160 nan 8.230 nan 0.000 0.441 315 K N 1.401 121.772 120.400 -0.049 0.000 2.491 315 K HA -0.066 4.254 4.320 0.000 0.000 0.279 315 K C 0.950 177.528 176.600 -0.037 0.000 1.026 315 K CA 1.106 57.370 56.287 -0.039 0.000 1.070 315 K CB 0.250 32.728 32.500 -0.036 0.000 0.887 315 K HN 0.369 nan 8.250 nan 0.000 0.481 316 G N 3.487 112.268 108.800 -0.031 0.000 2.205 316 G HA2 -0.269 3.691 3.960 0.000 0.000 0.261 316 G HA3 -0.269 3.691 3.960 0.000 0.000 0.261 316 G C 0.319 175.199 174.900 -0.033 0.000 0.980 316 G CA 0.321 45.403 45.100 -0.029 0.000 0.632 316 G HN 0.546 nan 8.290 nan 0.000 0.533 317 L N 2.687 123.885 121.223 -0.041 0.000 2.410 317 L HA 0.346 4.687 4.340 0.000 0.000 0.273 317 L C -0.570 176.278 176.870 -0.038 0.000 1.152 317 L CA -1.340 53.470 54.840 -0.049 0.000 0.855 317 L CB 0.357 42.375 42.059 -0.068 0.000 1.129 317 L HN 0.161 nan 8.230 nan 0.000 0.463 318 P HA 0.248 nan 4.420 nan 0.000 0.281 318 P C -0.736 176.552 177.300 -0.020 0.000 1.281 318 P CA -0.606 62.480 63.100 -0.022 0.000 0.811 318 P CB 1.034 32.723 31.700 -0.018 0.000 1.154 319 S N -0.538 115.158 115.700 -0.006 0.000 2.585 319 S HA 0.254 4.724 4.470 0.000 0.000 0.273 319 S C 1.313 175.921 174.600 0.013 0.000 1.339 319 S CA 0.086 58.289 58.200 0.006 0.000 1.028 319 S CB 0.581 63.788 63.200 0.011 0.000 0.906 319 S HN 0.742 nan 8.310 nan 0.000 0.528 320 T N -0.173 114.403 114.554 0.035 0.000 3.499 320 T HA 0.185 4.536 4.350 0.000 0.000 0.227 320 T C 0.256 174.999 174.700 0.071 0.000 0.946 320 T CA -0.154 61.978 62.100 0.053 0.000 1.368 320 T CB -0.584 68.326 68.868 0.069 0.000 1.227 320 T HN 0.519 nan 8.240 nan 0.000 0.398 321 Y N 2.973 123.270 120.300 -0.004 0.000 2.320 321 Y HA 0.625 5.176 4.550 0.001 0.000 0.324 321 Y C -0.724 175.171 175.900 -0.008 0.000 1.190 321 Y CA -0.931 57.166 58.100 -0.005 0.000 1.215 321 Y CB 0.735 39.191 38.460 -0.006 0.000 1.221 321 Y HN 0.322 nan 8.280 nan 0.000 0.486 322 N N 4.352 122.460 118.700 -0.988 0.000 2.331 322 N HA 0.117 4.857 4.740 0.000 0.000 0.280 322 N C 0.028 175.006 175.510 -0.886 0.000 1.155 322 N CA -0.743 51.921 53.050 -0.644 0.000 0.822 322 N CB 2.157 40.457 38.487 -0.312 0.000 1.619 322 N HN 0.560 nan 8.380 nan 0.000 0.476 323 K N 1.125 121.277 120.400 -0.414 0.000 2.089 323 K HA -0.172 4.148 4.320 0.000 0.000 0.210 323 K C 0.315 176.796 176.600 -0.199 0.000 1.048 323 K CA 1.789 57.954 56.287 -0.203 0.000 0.926 323 K CB -0.282 32.187 32.500 -0.052 0.000 0.714 323 K HN 0.545 nan 8.250 nan 0.000 0.448 324 D N 0.723 121.004 120.400 -0.197 0.000 2.218 324 D HA -0.220 4.420 4.640 0.000 0.000 0.194 324 D C 1.752 177.965 176.300 -0.145 0.000 1.007 324 D CA 1.133 55.044 54.000 -0.148 0.000 0.879 324 D CB -0.342 40.373 40.800 -0.141 0.000 0.918 324 D HN 0.235 nan 8.370 nan 0.000 0.449 325 L N 0.175 121.278 121.223 -0.200 0.000 2.450 325 L HA -0.159 4.181 4.340 0.000 0.000 0.224 325 L C 2.347 179.180 176.870 -0.061 0.000 1.149 325 L CA 0.677 55.438 54.840 -0.131 0.000 0.816 325 L CB -0.489 41.491 42.059 -0.132 0.000 0.932 325 L HN 0.115 nan 8.230 nan 0.000 0.449 326 Q N 0.376 120.151 119.800 -0.041 0.000 2.437 326 Q HA -0.174 4.166 4.340 0.000 0.000 0.210 326 Q C 1.532 177.514 176.000 -0.031 0.000 0.972 326 Q CA 0.805 56.609 55.803 0.002 0.000 0.903 326 Q CB 0.235 28.991 28.738 0.031 0.000 0.967 326 Q HN 0.461 nan 8.270 nan 0.000 0.486 327 E N 0.942 121.100 120.200 -0.070 0.000 2.511 327 E HA -0.120 4.230 4.350 0.000 0.000 0.196 327 E C 1.079 177.592 176.600 -0.146 0.000 1.066 327 E CA 0.832 57.169 56.400 -0.105 0.000 0.871 327 E CB 0.172 29.810 29.700 -0.102 0.000 0.863 327 E HN 0.608 nan 8.360 nan 0.000 0.520 328 D N 0.994 121.310 120.400 -0.141 0.000 2.117 328 D HA -0.171 4.469 4.640 0.000 0.000 0.198 328 D C 1.611 177.754 176.300 -0.262 0.000 0.982 328 D CA 0.896 54.790 54.000 -0.177 0.000 0.828 328 D CB -0.336 40.366 40.800 -0.164 0.000 0.967 328 D HN 0.025 nan 8.370 nan 0.000 0.464 329 K N 0.482 120.689 120.400 -0.322 0.000 2.015 329 K HA -0.197 4.123 4.320 0.000 0.000 0.216 329 K C 2.307 178.339 176.600 -0.946 0.000 1.052 329 K CA 1.892 57.760 56.287 -0.699 0.000 0.937 329 K CB -0.192 32.043 32.500 -0.441 0.000 0.719 329 K HN 0.273 nan 8.250 nan 0.000 0.446 330 E N 0.083 119.931 120.200 -0.586 0.000 2.118 330 E HA -0.209 4.141 4.350 0.000 0.000 0.195 330 E C 2.006 178.465 176.600 -0.234 0.000 0.992 330 E CA 1.126 57.255 56.400 -0.451 0.000 0.804 330 E CB -0.111 29.293 29.700 -0.493 0.000 0.741 330 E HN 0.375 nan 8.360 nan 0.000 0.458 331 A N 0.742 123.438 122.820 -0.206 0.000 1.898 331 A HA -0.107 4.213 4.320 0.000 0.000 0.216 331 A C 2.475 180.064 177.584 0.008 0.000 1.181 331 A CA 0.946 52.928 52.037 -0.092 0.000 0.620 331 A CB -0.477 18.463 19.000 -0.100 0.000 0.819 331 A HN 0.111 nan 8.150 nan 0.000 0.442 332 V N -0.772 119.120 119.914 -0.036 0.000 2.358 332 V HA -0.246 3.874 4.120 0.000 0.000 0.246 332 V C 2.324 178.620 176.094 0.337 0.000 1.047 332 V CA 1.891 64.288 62.300 0.162 0.000 1.035 332 V CB -1.023 30.828 31.823 0.047 0.000 0.658 332 V HN 0.643 nan 8.190 nan 0.000 0.452 333 F N 0.344 120.384 119.950 0.150 0.000 2.134 333 F HA -0.222 4.305 4.527 0.000 0.000 0.299 333 F C 2.528 178.417 175.800 0.148 0.000 1.097 333 F CA 1.386 59.479 58.000 0.155 0.000 1.264 333 F CB -0.324 38.697 39.000 0.034 0.000 1.001 333 F HN 0.258 nan 8.300 nan 0.000 0.479 334 D N 0.681 121.250 120.400 0.283 0.000 2.084 334 D HA -0.155 4.485 4.640 0.000 0.000 0.194 334 D C 2.150 178.556 176.300 0.177 0.000 0.990 334 D CA 1.309 55.412 54.000 0.171 0.000 0.826 334 D CB -0.363 40.485 40.800 0.081 0.000 0.971 334 D HN 0.018 nan 8.370 nan 0.000 0.453 335 V N 0.047 120.079 119.914 0.196 0.000 2.343 335 V HA -0.205 3.915 4.120 0.000 0.000 0.247 335 V C 2.747 179.017 176.094 0.293 0.000 1.051 335 V CA 1.288 63.699 62.300 0.185 0.000 1.036 335 V CB -0.399 31.507 31.823 0.137 0.000 0.654 335 V HN 0.132 nan 8.190 nan 0.000 0.451 336 V N 0.215 120.392 119.914 0.438 0.000 2.295 336 V HA -0.267 3.853 4.120 0.000 0.000 0.246 336 V C 2.298 178.553 176.094 0.268 0.000 1.049 336 V CA 2.326 64.874 62.300 0.413 0.000 1.024 336 V CB -0.632 31.418 31.823 0.379 0.000 0.648 336 V HN 0.580 nan 8.190 nan 0.000 0.447 337 D N -0.485 120.055 120.400 0.232 0.000 2.117 337 D HA -0.121 4.519 4.640 0.000 0.000 0.198 337 D C 2.270 178.643 176.300 0.122 0.000 0.982 337 D CA 1.749 55.845 54.000 0.160 0.000 0.828 337 D CB -0.437 40.446 40.800 0.138 0.000 0.967 337 D HN 0.384 nan 8.370 nan 0.000 0.464 338 T N 1.370 115.994 114.554 0.115 0.000 2.684 338 T HA -0.142 4.208 4.350 0.000 0.000 0.267 338 T C 1.949 176.686 174.700 0.063 0.000 1.036 338 T CA 0.601 62.745 62.100 0.072 0.000 1.148 338 T CB -0.267 68.634 68.868 0.055 0.000 0.863 338 T HN -0.004 nan 8.240 nan 0.000 0.436 339 L N 0.915 122.194 121.223 0.093 0.000 2.046 339 L HA -0.055 4.285 4.340 0.000 0.000 0.208 339 L C 2.806 179.741 176.870 0.108 0.000 1.077 339 L CA 1.751 56.645 54.840 0.090 0.000 0.747 339 L CB -1.338 40.811 42.059 0.151 0.000 0.896 339 L HN 0.259 nan 8.230 nan 0.000 0.432 340 T N -0.740 113.899 114.554 0.142 0.000 2.746 340 T HA -0.169 4.181 4.350 0.000 0.000 0.267 340 T C 1.884 176.574 174.700 -0.017 0.000 1.039 340 T CA 1.306 63.488 62.100 0.137 0.000 1.142 340 T CB -0.294 68.681 68.868 0.179 0.000 0.866 340 T HN 0.431 nan 8.240 nan 0.000 0.444 341 A N 0.858 123.684 122.820 0.009 0.000 1.854 341 A HA 0.037 4.357 4.320 0.000 0.000 0.214 341 A C 2.576 180.145 177.584 -0.025 0.000 1.192 341 A CA 1.018 53.045 52.037 -0.016 0.000 0.611 341 A CB -1.030 17.980 19.000 0.018 0.000 0.832 341 A HN 0.300 nan 8.150 nan 0.000 0.442 342 V N 0.440 120.350 119.914 -0.007 0.000 2.282 342 V HA -0.320 3.800 4.120 0.000 0.000 0.249 342 V C 2.624 178.695 176.094 -0.038 0.000 1.057 342 V CA 2.226 64.515 62.300 -0.018 0.000 1.032 342 V CB -0.855 30.958 31.823 -0.017 0.000 0.645 342 V HN 0.566 nan 8.190 nan 0.000 0.447 343 L N -0.710 120.495 121.223 -0.030 0.000 2.012 343 L HA -0.271 4.069 4.340 0.000 0.000 0.210 343 L C 2.719 179.546 176.870 -0.072 0.000 1.073 343 L CA 1.859 56.683 54.840 -0.027 0.000 0.748 343 L CB -0.621 41.467 42.059 0.048 0.000 0.891 343 L HN 0.395 nan 8.230 nan 0.000 0.431 344 Q N -0.864 118.850 119.800 -0.143 0.000 2.119 344 Q HA -0.162 4.178 4.340 0.000 0.000 0.201 344 Q C 2.332 178.283 176.000 -0.082 0.000 0.972 344 Q CA 1.251 56.965 55.803 -0.148 0.000 0.847 344 Q CB -0.150 28.446 28.738 -0.236 0.000 0.903 344 Q HN 0.355 nan 8.270 nan 0.000 0.433 345 V N 0.954 120.834 119.914 -0.055 0.000 2.427 345 V HA -0.260 3.860 4.120 0.000 0.000 0.248 345 V C 2.225 178.175 176.094 -0.240 0.000 1.051 345 V CA 1.777 64.047 62.300 -0.050 0.000 1.048 345 V CB -0.810 31.035 31.823 0.037 0.000 0.666 345 V HN 0.390 nan 8.190 nan 0.000 0.456 346 A N -0.518 122.202 122.820 -0.167 0.000 1.898 346 A HA -0.199 4.121 4.320 0.000 0.000 0.216 346 A C 2.399 179.858 177.584 -0.209 0.000 1.181 346 A CA 2.353 54.279 52.037 -0.185 0.000 0.620 346 A CB -0.894 18.033 19.000 -0.122 0.000 0.819 346 A HN 0.481 nan 8.150 nan 0.000 0.442 347 T N -0.128 114.331 114.554 -0.158 0.000 2.708 347 T HA -0.064 4.286 4.350 0.000 0.000 0.266 347 T C 1.993 176.575 174.700 -0.197 0.000 1.037 347 T CA 1.579 63.606 62.100 -0.122 0.000 1.146 347 T CB -0.729 68.107 68.868 -0.053 0.000 0.865 347 T HN 0.593 nan 8.240 nan 0.000 0.435 348 G N 1.280 109.891 108.800 -0.315 0.000 2.514 348 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 348 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 348 G C 1.717 176.133 174.900 -0.806 0.000 1.198 348 G CA 1.151 45.929 45.100 -0.537 0.000 0.780 348 G HN 0.424 nan 8.290 nan 0.000 0.565 349 V N 1.180 120.475 119.914 -1.032 0.000 2.252 349 V HA -0.242 3.878 4.120 0.000 0.000 0.249 349 V C 2.818 178.780 176.094 -0.220 0.000 1.056 349 V CA 2.020 63.960 62.300 -0.599 0.000 1.022 349 V CB -0.462 31.129 31.823 -0.387 0.000 0.641 349 V HN 0.418 nan 8.190 nan 0.000 0.445 350 I N -0.228 120.246 120.570 -0.161 0.000 2.315 350 I HA -0.213 3.958 4.170 0.000 0.000 0.248 350 I C 2.673 178.796 176.117 0.010 0.000 1.117 350 I CA 1.753 63.034 61.300 -0.031 0.000 1.404 350 I CB -0.361 37.614 38.000 -0.043 0.000 1.071 350 I HN 0.339 nan 8.210 nan 0.000 0.419 351 S N 0.044 115.725 115.700 -0.032 0.000 2.402 351 S HA -0.153 4.318 4.470 0.000 0.000 0.229 351 S C 1.971 176.603 174.600 0.054 0.000 1.021 351 S CA 2.003 60.214 58.200 0.018 0.000 0.974 351 S CB -0.302 62.905 63.200 0.011 0.000 0.800 351 S HN 0.606 nan 8.310 nan 0.000 0.484 352 T N 0.074 114.659 114.554 0.052 0.000 3.040 352 T HA 0.350 4.701 4.350 0.000 0.000 0.250 352 T C 0.514 175.283 174.700 0.115 0.000 1.058 352 T CA -0.215 61.955 62.100 0.115 0.000 0.988 352 T CB -0.573 68.431 68.868 0.226 0.000 0.993 352 T HN 0.336 nan 8.240 nan 0.000 0.519 353 L N 0.891 122.172 121.223 0.097 0.000 2.483 353 L HA 0.484 4.824 4.340 0.000 0.000 0.275 353 L C -0.224 176.701 176.870 0.091 0.000 1.220 353 L CA -0.283 54.619 54.840 0.104 0.000 0.833 353 L CB 0.070 42.199 42.059 0.116 0.000 1.102 353 L HN -0.039 nan 8.230 nan 0.000 0.490 354 Q N 3.810 123.649 119.800 0.066 0.000 2.307 354 Q HA 0.558 4.898 4.340 0.000 0.000 0.262 354 Q C -0.327 175.666 176.000 -0.011 0.000 0.961 354 Q CA -0.459 55.364 55.803 0.032 0.000 0.882 354 Q CB 2.303 31.058 28.738 0.028 0.000 1.264 354 Q HN 0.867 nan 8.270 nan 0.000 0.446 355 I N -1.565 118.962 120.570 -0.071 0.000 2.664 355 I HA 0.537 4.707 4.170 0.000 0.000 0.308 355 I C 0.050 176.076 176.117 -0.153 0.000 0.984 355 I CA -0.649 60.533 61.300 -0.196 0.000 1.213 355 I CB 1.825 39.563 38.000 -0.436 0.000 1.379 355 I HN 0.336 nan 8.210 nan 0.000 0.501 356 S N 3.363 118.966 115.700 -0.163 0.000 2.528 356 S HA 0.333 4.803 4.470 0.000 0.000 0.303 356 S C 0.714 175.218 174.600 -0.161 0.000 1.123 356 S CA -0.749 57.387 58.200 -0.106 0.000 1.138 356 S CB 0.464 63.645 63.200 -0.031 0.000 0.984 356 S HN 0.792 nan 8.310 nan 0.000 0.474 357 K N 2.665 122.971 120.400 -0.157 0.000 2.063 357 K HA -0.184 4.136 4.320 0.000 0.000 0.208 357 K C 1.868 178.390 176.600 -0.131 0.000 1.048 357 K CA 1.743 57.932 56.287 -0.163 0.000 0.928 357 K CB -0.045 32.392 32.500 -0.106 0.000 0.713 357 K HN 0.778 nan 8.250 nan 0.000 0.442 358 E N 1.009 121.159 120.200 -0.083 0.000 2.038 358 E HA -0.205 4.145 4.350 0.000 0.000 0.195 358 E C 1.662 178.228 176.600 -0.057 0.000 1.000 358 E CA 1.355 57.721 56.400 -0.057 0.000 0.803 358 E CB 0.115 29.796 29.700 -0.031 0.000 0.750 358 E HN 0.260 nan 8.360 nan 0.000 0.448 359 N N 0.066 118.746 118.700 -0.034 0.000 2.216 359 N HA -0.116 4.624 4.740 0.000 0.000 0.183 359 N C 1.892 177.392 175.510 -0.017 0.000 1.017 359 N CA 1.188 54.258 53.050 0.033 0.000 0.861 359 N CB -0.214 38.349 38.487 0.127 0.000 0.986 359 N HN 0.314 nan 8.380 nan 0.000 0.428 360 M N 0.644 120.101 119.600 -0.238 0.000 2.086 360 M HA -0.101 4.379 4.480 0.000 0.000 0.261 360 M C 2.093 178.139 176.300 -0.424 0.000 1.067 360 M CA 1.289 56.210 55.300 -0.631 0.000 1.116 360 M CB -0.172 32.024 32.600 -0.674 0.000 1.348 360 M HN 0.043 nan 8.290 nan 0.000 0.407 361 E N 0.923 120.959 120.200 -0.274 0.000 2.106 361 E HA -0.197 4.154 4.350 0.000 0.000 0.192 361 E C 1.818 178.294 176.600 -0.207 0.000 0.984 361 E CA 1.172 57.432 56.400 -0.233 0.000 0.806 361 E CB -0.104 29.520 29.700 -0.128 0.000 0.750 361 E HN 0.406 nan 8.360 nan 0.000 0.458 362 K N 0.046 120.373 120.400 -0.122 0.000 2.280 362 K HA -0.060 4.260 4.320 0.000 0.000 0.202 362 K C 1.759 178.315 176.600 -0.075 0.000 1.047 362 K CA 0.988 57.235 56.287 -0.066 0.000 0.942 362 K CB -0.045 32.440 32.500 -0.025 0.000 0.739 362 K HN 0.053 nan 8.250 nan 0.000 0.457 363 A N 0.976 123.738 122.820 -0.096 0.000 2.119 363 A HA 0.111 4.431 4.320 0.000 0.000 0.216 363 A C 0.740 178.220 177.584 -0.174 0.000 1.152 363 A CA 0.128 52.130 52.037 -0.059 0.000 0.708 363 A CB -0.205 18.856 19.000 0.101 0.000 0.805 363 A HN 0.219 nan 8.150 nan 0.000 0.460 364 L N 1.688 122.695 121.223 -0.361 0.000 2.410 364 L HA 0.279 4.619 4.340 0.000 0.000 0.273 364 L C 0.601 177.295 176.870 -0.294 0.000 1.152 364 L CA -0.040 54.423 54.840 -0.629 0.000 0.855 364 L CB 0.695 41.821 42.059 -1.555 0.000 1.129 364 L HN 0.379 nan 8.230 nan 0.000 0.463 365 T N -0.752 113.792 114.554 -0.017 0.000 2.916 365 T HA 0.419 4.769 4.350 0.000 0.000 0.292 365 T C -2.231 172.695 174.700 0.376 0.000 1.055 365 T CA -2.016 60.214 62.100 0.216 0.000 1.009 365 T CB 2.198 71.115 68.868 0.082 0.000 1.118 365 T HN 0.199 nan 8.240 nan 0.000 0.497 366 P HA -0.052 nan 4.420 nan 0.000 0.218 366 P C 1.016 178.422 177.300 0.177 0.000 1.148 366 P CA 0.964 64.183 63.100 0.197 0.000 0.822 366 P CB 0.037 31.781 31.700 0.074 0.000 0.784 367 E N -0.963 119.313 120.200 0.127 0.000 2.209 367 E HA -0.129 4.221 4.350 0.000 0.000 0.196 367 E C 1.601 178.262 176.600 0.102 0.000 0.993 367 E CA 1.154 57.610 56.400 0.093 0.000 0.819 367 E CB -0.932 28.804 29.700 0.060 0.000 0.745 367 E HN 0.347 nan 8.360 nan 0.000 0.477 368 M N -0.233 119.447 119.600 0.133 0.000 2.618 368 M HA 0.087 4.567 4.480 0.000 0.000 0.240 368 M C 0.792 177.177 176.300 0.141 0.000 1.123 368 M CA 0.570 55.941 55.300 0.120 0.000 1.060 368 M CB 0.309 32.974 32.600 0.108 0.000 1.535 368 M HN 0.049 nan 8.290 nan 0.000 0.507 369 L N -1.028 120.279 121.223 0.141 0.000 2.693 369 L HA 0.302 4.642 4.340 0.000 0.000 0.235 369 L C 2.387 179.274 176.870 0.029 0.000 1.127 369 L CA -0.251 54.634 54.840 0.075 0.000 0.914 369 L CB -0.387 41.694 42.059 0.037 0.000 1.193 369 L HN 0.228 nan 8.230 nan 0.000 0.502 370 A N 0.418 123.276 122.820 0.063 0.000 1.940 370 A HA -0.184 4.136 4.320 0.000 0.000 0.219 370 A C 2.331 179.931 177.584 0.027 0.000 1.176 370 A CA 2.402 54.463 52.037 0.040 0.000 0.631 370 A CB -0.652 18.366 19.000 0.030 0.000 0.814 370 A HN 0.319 nan 8.150 nan 0.000 0.446 371 T N 0.275 114.860 114.554 0.053 0.000 2.746 371 T HA -0.119 4.231 4.350 0.000 0.000 0.267 371 T C 1.446 176.197 174.700 0.084 0.000 1.039 371 T CA 1.574 63.725 62.100 0.085 0.000 1.142 371 T CB -0.413 68.531 68.868 0.128 0.000 0.866 371 T HN 0.489 nan 8.240 nan 0.000 0.444 372 D N 0.890 121.321 120.400 0.051 0.000 2.178 372 D HA -0.021 4.619 4.640 0.000 0.000 0.202 372 D C 1.979 178.284 176.300 0.009 0.000 0.974 372 D CA 0.404 54.415 54.000 0.018 0.000 0.841 372 D CB -0.447 40.329 40.800 -0.039 0.000 0.953 372 D HN 0.190 nan 8.370 nan 0.000 0.478 373 L N 0.949 122.153 121.223 -0.031 0.000 2.046 373 L HA -0.089 4.252 4.340 0.000 0.000 0.208 373 L C 2.118 179.108 176.870 0.200 0.000 1.077 373 L CA 1.684 56.537 54.840 0.020 0.000 0.747 373 L CB -0.717 41.335 42.059 -0.010 0.000 0.896 373 L HN -0.015 nan 8.230 nan 0.000 0.432 374 A N -0.721 122.178 122.820 0.132 0.000 1.902 374 A HA -0.160 4.160 4.320 0.000 0.000 0.217 374 A C 2.259 179.922 177.584 0.130 0.000 1.181 374 A CA 1.889 53.999 52.037 0.123 0.000 0.623 374 A CB -0.874 18.165 19.000 0.065 0.000 0.818 374 A HN 0.493 nan 8.150 nan 0.000 0.443 375 L N -1.959 119.340 121.223 0.127 0.000 2.141 375 L HA -0.185 4.155 4.340 0.000 0.000 0.209 375 L C 2.527 179.442 176.870 0.075 0.000 1.094 375 L CA 1.561 56.458 54.840 0.095 0.000 0.763 375 L CB -0.625 41.472 42.059 0.063 0.000 0.908 375 L HN 0.633 nan 8.230 nan 0.000 0.437 376 Y N 0.871 121.171 120.300 0.000 0.000 2.114 376 Y HA -0.306 4.244 4.550 0.000 0.000 0.282 376 Y C 2.288 178.173 175.900 -0.025 0.000 1.165 376 Y CA 1.759 59.856 58.100 -0.004 0.000 1.148 376 Y CB -0.215 38.270 38.460 0.042 0.000 0.972 376 Y HN 0.010 nan 8.280 nan 0.000 0.504 377 L N -1.188 120.047 121.223 0.021 0.000 2.056 377 L HA -0.195 4.145 4.340 0.000 0.000 0.207 377 L C 2.409 179.192 176.870 -0.145 0.000 1.078 377 L CA 1.003 55.750 54.840 -0.154 0.000 0.749 377 L CB -0.752 41.226 42.059 -0.135 0.000 0.901 377 L HN 0.131 nan 8.230 nan 0.000 0.433 378 V N 0.071 119.953 119.914 -0.053 0.000 2.332 378 V HA -0.305 3.815 4.120 0.000 0.000 0.248 378 V C 2.571 178.623 176.094 -0.069 0.000 1.055 378 V CA 1.783 64.072 62.300 -0.020 0.000 1.038 378 V CB -0.679 31.180 31.823 0.060 0.000 0.651 378 V HN 0.439 nan 8.190 nan 0.000 0.450 379 R N -0.045 120.386 120.500 -0.114 0.000 2.189 379 R HA -0.067 4.273 4.340 0.000 0.000 0.223 379 R C 1.705 177.900 176.300 -0.175 0.000 1.092 379 R CA 0.597 56.615 56.100 -0.135 0.000 0.989 379 R CB -0.153 30.056 30.300 -0.152 0.000 0.876 379 R HN 0.369 nan 8.270 nan 0.000 0.457 380 K N -0.405 119.853 120.400 -0.236 0.000 2.417 380 K HA 0.125 4.445 4.320 0.000 0.000 0.196 380 K C 1.068 177.584 176.600 -0.140 0.000 1.023 380 K CA 0.605 56.757 56.287 -0.224 0.000 1.122 380 K CB 0.888 33.197 32.500 -0.318 0.000 0.850 380 K HN 0.401 nan 8.250 nan 0.000 0.521 381 G N 0.464 109.200 108.800 -0.106 0.000 2.234 381 G HA2 -0.259 3.701 3.960 0.000 0.000 0.235 381 G HA3 -0.259 3.701 3.960 0.000 0.000 0.235 381 G C 0.263 175.130 174.900 -0.054 0.000 0.997 381 G CA 0.073 45.132 45.100 -0.068 0.000 0.623 381 G HN 0.120 nan 8.290 nan 0.000 0.514 382 V N 3.019 122.889 119.914 -0.074 0.000 2.673 382 V HA 0.300 4.420 4.120 0.000 0.000 0.303 382 V C -1.101 174.983 176.094 -0.017 0.000 1.046 382 V CA -0.407 61.857 62.300 -0.059 0.000 1.126 382 V CB 0.876 32.641 31.823 -0.097 0.000 0.934 382 V HN 0.199 nan 8.190 nan 0.000 0.487 383 P HA 0.024 nan 4.420 nan 0.000 0.267 383 P C 0.593 177.937 177.300 0.074 0.000 1.200 383 P CA -0.042 63.086 63.100 0.047 0.000 0.772 383 P CB 0.343 32.063 31.700 0.034 0.000 0.855 384 F N 3.355 123.307 119.950 0.003 0.000 2.087 384 F HA -0.319 4.208 4.527 0.000 0.000 0.299 384 F C 2.339 178.166 175.800 0.045 0.000 1.100 384 F CA 1.731 59.745 58.000 0.023 0.000 1.226 384 F CB -0.075 38.931 39.000 0.010 0.000 0.983 384 F HN 0.156 nan 8.300 nan 0.000 0.479 385 R N 0.767 121.170 120.500 -0.161 0.000 2.070 385 R HA -0.157 4.183 4.340 0.000 0.000 0.233 385 R C 2.352 178.558 176.300 -0.156 0.000 1.137 385 R CA 1.989 57.944 56.100 -0.241 0.000 0.945 385 R CB -1.085 29.189 30.300 -0.045 0.000 0.845 385 R HN 0.416 nan 8.270 nan 0.000 0.430 386 Q N -0.373 119.382 119.800 -0.076 0.000 2.030 386 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 386 Q C 2.018 177.985 176.000 -0.055 0.000 0.986 386 Q CA 2.090 57.863 55.803 -0.049 0.000 0.843 386 Q CB -0.383 28.332 28.738 -0.038 0.000 0.904 386 Q HN 0.456 nan 8.270 nan 0.000 0.420 387 A N 0.254 123.030 122.820 -0.074 0.000 1.865 387 A HA -0.276 4.044 4.320 0.000 0.000 0.217 387 A C 1.842 179.406 177.584 -0.033 0.000 1.191 387 A CA 2.147 54.152 52.037 -0.054 0.000 0.623 387 A CB -1.128 17.850 19.000 -0.037 0.000 0.826 387 A HN 0.596 nan 8.150 nan 0.000 0.444 388 H N -0.661 118.256 119.070 -0.255 0.000 2.352 388 H HA -0.105 4.451 4.556 0.000 0.000 0.299 388 H C 2.084 177.340 175.328 -0.120 0.000 1.097 388 H CA 2.284 58.183 56.048 -0.249 0.000 1.311 388 H CB -0.166 29.268 29.762 -0.547 0.000 1.377 388 H HN 0.405 nan 8.280 nan 0.000 0.504 389 T N -0.019 114.572 114.554 0.061 0.000 2.821 389 T HA -0.077 4.274 4.350 0.000 0.000 0.267 389 T C 2.174 176.892 174.700 0.029 0.000 1.046 389 T CA 0.993 63.126 62.100 0.055 0.000 1.139 389 T CB -0.485 68.406 68.868 0.037 0.000 0.871 389 T HN 0.566 nan 8.240 nan 0.000 0.454 390 A N 0.828 123.675 122.820 0.044 0.000 1.930 390 A HA -0.035 4.285 4.320 0.000 0.000 0.217 390 A C 2.540 180.223 177.584 0.165 0.000 1.175 390 A CA 1.848 53.958 52.037 0.121 0.000 0.627 390 A CB -0.885 18.191 19.000 0.127 0.000 0.815 390 A HN 0.434 nan 8.150 nan 0.000 0.443 391 S N -0.616 115.146 115.700 0.103 0.000 2.402 391 S HA -0.006 4.465 4.470 0.000 0.000 0.229 391 S C 1.992 176.589 174.600 -0.004 0.000 1.021 391 S CA 1.548 59.789 58.200 0.068 0.000 0.974 391 S CB -0.552 62.646 63.200 -0.004 0.000 0.800 391 S HN 0.674 nan 8.310 nan 0.000 0.484 392 G N 1.122 109.887 108.800 -0.058 0.000 2.402 392 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 392 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 392 G C 1.540 176.464 174.900 0.039 0.000 1.162 392 G CA 0.617 45.693 45.100 -0.040 0.000 0.777 392 G HN 0.517 nan 8.290 nan 0.000 0.539 393 K N 0.567 121.001 120.400 0.057 0.000 2.057 393 K HA 0.062 4.383 4.320 0.000 0.000 0.207 393 K C 2.953 179.609 176.600 0.094 0.000 1.049 393 K CA 0.946 57.291 56.287 0.096 0.000 0.931 393 K CB -0.209 32.345 32.500 0.089 0.000 0.714 393 K HN 0.261 nan 8.250 nan 0.000 0.440 394 A N 1.125 123.981 122.820 0.059 0.000 1.877 394 A HA -0.133 4.188 4.320 0.000 0.000 0.216 394 A C 2.397 179.978 177.584 -0.005 0.000 1.186 394 A CA 1.460 53.494 52.037 -0.005 0.000 0.620 394 A CB -0.739 18.221 19.000 -0.067 0.000 0.822 394 A HN 0.066 nan 8.150 nan 0.000 0.443 395 V N -0.442 119.485 119.914 0.022 0.000 2.287 395 V HA -0.302 3.818 4.120 0.000 0.000 0.248 395 V C 2.508 178.626 176.094 0.041 0.000 1.053 395 V CA 2.626 64.941 62.300 0.024 0.000 1.027 395 V CB -0.994 30.849 31.823 0.032 0.000 0.646 395 V HN 0.841 nan 8.190 nan 0.000 0.447 396 H N -0.301 118.758 119.070 -0.017 0.000 2.321 396 H HA -0.165 4.391 4.556 0.000 0.000 0.300 396 H C 1.920 177.237 175.328 -0.019 0.000 1.087 396 H CA 2.212 58.252 56.048 -0.013 0.000 1.319 396 H CB -0.267 29.492 29.762 -0.006 0.000 1.379 396 H HN 0.261 nan 8.280 nan 0.000 0.501 397 L N 0.581 121.761 121.223 -0.070 0.000 1.989 397 L HA -0.113 4.228 4.340 0.000 0.000 0.211 397 L C 2.494 179.275 176.870 -0.148 0.000 1.071 397 L CA 2.296 57.061 54.840 -0.125 0.000 0.749 397 L CB -1.533 40.498 42.059 -0.047 0.000 0.890 397 L HN 0.374 nan 8.230 nan 0.000 0.431 398 A N -0.771 121.981 122.820 -0.113 0.000 1.917 398 A HA -0.318 4.002 4.320 0.000 0.000 0.219 398 A C 2.331 179.844 177.584 -0.118 0.000 1.182 398 A CA 2.013 53.982 52.037 -0.113 0.000 0.633 398 A CB -0.900 18.037 19.000 -0.106 0.000 0.819 398 A HN 0.684 nan 8.150 nan 0.000 0.448 399 E N -0.328 119.797 120.200 -0.125 0.000 2.058 399 E HA -0.227 4.123 4.350 0.000 0.000 0.194 399 E C 2.089 178.595 176.600 -0.155 0.000 0.997 399 E CA 2.194 58.521 56.400 -0.121 0.000 0.801 399 E CB -0.273 29.364 29.700 -0.104 0.000 0.746 399 E HN 0.748 nan 8.360 nan 0.000 0.450 400 T N -1.504 112.902 114.554 -0.247 0.000 2.915 400 T HA -0.067 4.283 4.350 0.000 0.000 0.269 400 T C 1.685 176.308 174.700 -0.128 0.000 1.071 400 T CA 1.094 63.068 62.100 -0.211 0.000 1.132 400 T CB -0.125 68.573 68.868 -0.283 0.000 0.878 400 T HN 0.071 nan 8.240 nan 0.000 0.479 401 K N 0.697 121.026 120.400 -0.119 0.000 2.426 401 K HA 0.312 4.632 4.320 0.000 0.000 0.193 401 K C 1.341 177.894 176.600 -0.078 0.000 1.028 401 K CA 0.319 56.553 56.287 -0.089 0.000 1.047 401 K CB -0.056 32.391 32.500 -0.088 0.000 0.821 401 K HN 0.531 nan 8.250 nan 0.000 0.513 402 G N 2.650 111.401 108.800 -0.082 0.000 2.198 402 G HA2 -0.246 3.714 3.960 0.000 0.000 0.257 402 G HA3 -0.246 3.714 3.960 0.000 0.000 0.257 402 G C 0.026 174.886 174.900 -0.067 0.000 1.042 402 G CA 0.646 45.706 45.100 -0.066 0.000 0.791 402 G HN 0.447 nan 8.290 nan 0.000 0.502 403 I N -3.003 117.519 120.570 -0.080 0.000 3.042 403 I HA 0.874 5.044 4.170 0.000 0.000 0.310 403 I C 0.411 176.471 176.117 -0.096 0.000 1.117 403 I CA -0.728 60.519 61.300 -0.088 0.000 1.003 403 I CB 2.096 40.034 38.000 -0.103 0.000 1.228 403 I HN 0.200 nan 8.210 nan 0.000 0.443 404 T N 0.508 114.998 114.554 -0.106 0.000 2.910 404 T HA 0.347 4.697 4.350 0.000 0.000 0.293 404 T C 1.431 176.023 174.700 -0.179 0.000 1.015 404 T CA -0.461 61.574 62.100 -0.109 0.000 1.094 404 T CB 1.323 70.137 68.868 -0.090 0.000 0.968 404 T HN 0.757 nan 8.240 nan 0.000 0.521 405 I N 0.601 121.075 120.570 -0.159 0.000 2.399 405 I HA -0.228 3.942 4.170 0.000 0.000 0.254 405 I C 2.034 177.780 176.117 -0.619 0.000 1.146 405 I CA 1.691 62.854 61.300 -0.228 0.000 1.412 405 I CB -0.825 37.157 38.000 -0.030 0.000 1.076 405 I HN 0.727 nan 8.210 nan 0.000 0.432 406 N N 1.759 119.966 118.700 -0.822 0.000 2.573 406 N HA -0.176 4.565 4.740 0.000 0.000 0.187 406 N C 1.278 176.297 175.510 -0.819 0.000 1.107 406 N CA 0.915 53.063 53.050 -1.503 0.000 0.918 406 N CB -0.136 37.847 38.487 -0.839 0.000 0.966 406 N HN 0.422 nan 8.380 nan 0.000 0.448 407 K N 0.150 120.248 120.400 -0.503 0.000 2.355 407 K HA 0.376 4.696 4.320 0.000 0.000 0.198 407 K C 0.332 176.773 176.600 -0.265 0.000 1.039 407 K CA -0.248 55.849 56.287 -0.317 0.000 1.075 407 K CB 0.371 32.742 32.500 -0.215 0.000 0.870 407 K HN 0.107 nan 8.250 nan 0.000 0.540 408 L N 2.135 123.179 121.223 -0.297 0.000 2.543 408 L HA -0.034 4.306 4.340 0.000 0.000 0.285 408 L C 0.654 177.407 176.870 -0.196 0.000 1.236 408 L CA -0.078 54.630 54.840 -0.220 0.000 0.871 408 L CB 0.369 42.292 42.059 -0.227 0.000 1.121 408 L HN 0.210 nan 8.230 nan 0.000 0.501 409 S N 2.449 118.065 115.700 -0.139 0.000 2.614 409 S HA 0.114 4.584 4.470 0.000 0.000 0.265 409 S C 0.781 175.322 174.600 -0.099 0.000 1.303 409 S CA -0.797 57.339 58.200 -0.108 0.000 1.000 409 S CB 1.248 64.403 63.200 -0.076 0.000 0.935 409 S HN 0.559 nan 8.310 nan 0.000 0.551 410 L N 0.918 122.099 121.223 -0.070 0.000 2.046 410 L HA -0.038 4.302 4.340 0.000 0.000 0.208 410 L C 2.545 179.404 176.870 -0.018 0.000 1.077 410 L CA 2.217 57.032 54.840 -0.042 0.000 0.747 410 L CB -1.182 40.870 42.059 -0.012 0.000 0.896 410 L HN 1.022 nan 8.230 nan 0.000 0.432 411 E N -0.669 119.521 120.200 -0.017 0.000 2.049 411 E HA -0.286 4.064 4.350 0.000 0.000 0.198 411 E C 1.774 178.372 176.600 -0.004 0.000 1.007 411 E CA 1.733 58.132 56.400 -0.003 0.000 0.809 411 E CB -0.092 29.602 29.700 -0.010 0.000 0.749 411 E HN 0.545 nan 8.360 nan 0.000 0.450 412 D N 0.410 120.791 120.400 -0.032 0.000 2.133 412 D HA -0.181 4.459 4.640 0.000 0.000 0.195 412 D C 2.120 178.400 176.300 -0.033 0.000 0.997 412 D CA 0.893 54.870 54.000 -0.038 0.000 0.840 412 D CB -0.257 40.501 40.800 -0.069 0.000 0.947 412 D HN 0.265 nan 8.370 nan 0.000 0.452 413 L N 0.410 121.590 121.223 -0.072 0.000 2.046 413 L HA -0.147 4.193 4.340 0.000 0.000 0.208 413 L C 2.343 179.307 176.870 0.157 0.000 1.077 413 L CA 1.144 55.919 54.840 -0.108 0.000 0.747 413 L CB -0.246 41.623 42.059 -0.317 0.000 0.896 413 L HN -0.031 nan 8.230 nan 0.000 0.432 414 K N -0.154 120.330 120.400 0.141 0.000 2.283 414 K HA -0.116 4.204 4.320 0.000 0.000 0.202 414 K C 2.187 178.861 176.600 0.123 0.000 1.048 414 K CA 1.449 57.837 56.287 0.168 0.000 0.948 414 K CB -0.118 32.447 32.500 0.108 0.000 0.742 414 K HN 0.360 nan 8.250 nan 0.000 0.458 415 S N 0.375 116.127 115.700 0.086 0.000 2.515 415 S HA -0.023 4.447 4.470 0.000 0.000 0.231 415 S C 1.699 176.349 174.600 0.084 0.000 0.987 415 S CA 0.631 58.870 58.200 0.064 0.000 0.936 415 S CB -0.239 62.983 63.200 0.037 0.000 0.766 415 S HN 0.215 nan 8.310 nan 0.000 0.528 416 I N 0.271 120.921 120.570 0.134 0.000 3.339 416 I HA 0.232 4.403 4.170 0.000 0.000 0.285 416 I C 0.753 176.975 176.117 0.174 0.000 1.201 416 I CA 0.285 61.682 61.300 0.162 0.000 1.434 416 I CB 0.649 38.776 38.000 0.211 0.000 1.152 416 I HN 0.371 nan 8.210 nan 0.000 0.443 417 S N -0.241 115.586 115.700 0.213 0.000 2.581 417 S HA 0.250 4.720 4.470 0.000 0.000 0.306 417 S C -2.462 172.196 174.600 0.096 0.000 1.080 417 S CA -0.768 57.484 58.200 0.086 0.000 0.925 417 S CB 1.191 64.343 63.200 -0.080 0.000 1.128 417 S HN -0.228 nan 8.310 nan 0.000 0.451 418 P HA -0.067 nan 4.420 nan 0.000 0.223 418 P C 1.351 178.676 177.300 0.041 0.000 1.144 418 P CA 0.758 63.892 63.100 0.058 0.000 0.783 418 P CB 0.179 31.897 31.700 0.030 0.000 0.771 419 Q N -1.552 118.218 119.800 -0.050 0.000 2.291 419 Q HA -0.056 4.284 4.340 0.000 0.000 0.206 419 Q C 0.288 176.308 176.000 0.034 0.000 0.976 419 Q CA 0.775 56.528 55.803 -0.083 0.000 0.875 419 Q CB -0.583 28.030 28.738 -0.208 0.000 0.927 419 Q HN 0.326 nan 8.270 nan 0.000 0.450 420 F N 1.237 121.295 119.950 0.180 0.000 2.487 420 F HA 0.059 4.586 4.527 0.000 0.000 0.364 420 F C 0.893 176.770 175.800 0.129 0.000 1.126 420 F CA -0.153 57.958 58.000 0.185 0.000 1.135 420 F CB 0.308 39.335 39.000 0.044 0.000 1.127 420 F HN -0.273 nan 8.300 nan 0.000 0.559 421 S N 0.672 116.598 115.700 0.377 0.000 2.738 421 S HA 0.178 4.648 4.470 0.000 0.000 0.284 421 S C 1.239 175.932 174.600 0.154 0.000 1.146 421 S CA -0.241 58.096 58.200 0.228 0.000 0.997 421 S CB 1.339 64.671 63.200 0.219 0.000 1.081 421 S HN 0.649 nan 8.310 nan 0.000 0.553 422 S N 1.022 116.783 115.700 0.103 0.000 2.442 422 S HA -0.156 4.314 4.470 0.000 0.000 0.236 422 S C 1.155 175.791 174.600 0.059 0.000 1.007 422 S CA 1.333 59.570 58.200 0.061 0.000 0.965 422 S CB -0.670 62.557 63.200 0.045 0.000 0.773 422 S HN 0.812 nan 8.310 nan 0.000 0.504 423 D N 1.447 121.909 120.400 0.104 0.000 2.378 423 D HA -0.000 4.640 4.640 0.000 0.000 0.227 423 D C 1.665 178.012 176.300 0.079 0.000 1.012 423 D CA 0.437 54.505 54.000 0.113 0.000 0.905 423 D CB -0.541 40.358 40.800 0.164 0.000 0.895 423 D HN 0.385 nan 8.370 nan 0.000 0.532 424 V N 1.243 121.119 119.914 -0.063 0.000 2.720 424 V HA -0.247 3.874 4.120 0.000 0.000 0.256 424 V C 2.338 178.336 176.094 -0.161 0.000 1.082 424 V CA 2.278 64.328 62.300 -0.416 0.000 1.101 424 V CB -0.782 30.711 31.823 -0.551 0.000 0.693 424 V HN 0.433 nan 8.190 nan 0.000 0.479 425 S N -0.392 115.313 115.700 0.007 0.000 2.402 425 S HA -0.354 4.116 4.470 0.000 0.000 0.233 425 S C 1.794 176.442 174.600 0.080 0.000 1.030 425 S CA 1.923 60.199 58.200 0.126 0.000 1.003 425 S CB -0.672 62.562 63.200 0.057 0.000 0.813 425 S HN 0.780 nan 8.310 nan 0.000 0.477 426 Q N 0.473 120.274 119.800 0.001 0.000 2.364 426 Q HA 0.015 4.355 4.340 0.000 0.000 0.209 426 Q C 2.146 178.086 176.000 -0.099 0.000 0.977 426 Q CA 1.217 57.008 55.803 -0.019 0.000 0.885 426 Q CB -0.426 28.320 28.738 0.013 0.000 0.941 426 Q HN 0.544 nan 8.270 nan 0.000 0.464 427 V N -0.018 119.750 119.914 -0.242 0.000 2.427 427 V HA -0.182 3.938 4.120 0.000 0.000 0.248 427 V C 0.791 176.556 176.094 -0.548 0.000 1.051 427 V CA 1.265 63.297 62.300 -0.448 0.000 1.048 427 V CB -0.323 31.039 31.823 -0.769 0.000 0.666 427 V HN 0.279 nan 8.190 nan 0.000 0.456 428 F N 1.931 121.780 119.950 -0.167 0.000 2.666 428 F HA 0.338 4.865 4.527 0.000 0.000 0.362 428 F C 0.638 176.244 175.800 -0.324 0.000 1.190 428 F CA 0.108 57.955 58.000 -0.255 0.000 1.328 428 F CB -0.490 38.373 39.000 -0.228 0.000 1.682 428 F HN 0.113 nan 8.300 nan 0.000 0.623 429 N N 0.994 119.547 118.700 -0.246 0.000 2.519 429 N HA 0.115 4.855 4.740 0.000 0.000 0.291 429 N C 0.270 175.673 175.510 -0.179 0.000 1.107 429 N CA -0.424 52.491 53.050 -0.224 0.000 0.904 429 N CB 0.637 39.075 38.487 -0.081 0.000 1.500 429 N HN 0.205 nan 8.380 nan 0.000 0.510 430 F N 1.538 121.507 119.950 0.033 0.000 2.216 430 F HA -0.145 4.382 4.527 0.000 0.000 0.300 430 F C 2.232 178.051 175.800 0.032 0.000 1.085 430 F CA 0.751 58.767 58.000 0.027 0.000 1.326 430 F CB 0.277 39.286 39.000 0.014 0.000 1.027 430 F HN 0.308 nan 8.300 nan 0.000 0.497 431 V N 0.167 120.190 119.914 0.182 0.000 2.307 431 V HA -0.273 3.847 4.120 0.000 0.000 0.245 431 V C 2.002 178.152 176.094 0.094 0.000 1.045 431 V CA 1.837 64.212 62.300 0.123 0.000 1.024 431 V CB -0.632 31.243 31.823 0.086 0.000 0.651 431 V HN 0.302 nan 8.190 nan 0.000 0.449 432 N N 0.074 118.807 118.700 0.056 0.000 2.205 432 N HA -0.164 4.577 4.740 0.000 0.000 0.186 432 N C 2.113 177.649 175.510 0.043 0.000 1.015 432 N CA 1.745 54.813 53.050 0.029 0.000 0.862 432 N CB -0.509 37.973 38.487 -0.007 0.000 0.986 432 N HN 0.456 nan 8.380 nan 0.000 0.429 433 S N 0.383 116.131 115.700 0.080 0.000 2.348 433 S HA -0.102 4.368 4.470 0.000 0.000 0.221 433 S C 2.075 176.810 174.600 0.225 0.000 1.033 433 S CA 1.683 59.963 58.200 0.134 0.000 1.010 433 S CB -0.402 62.915 63.200 0.195 0.000 0.891 433 S HN 0.233 nan 8.310 nan 0.000 0.442 434 V N -0.157 119.896 119.914 0.232 0.000 2.809 434 V HA 0.128 4.248 4.120 0.000 0.000 0.256 434 V C 2.014 178.262 176.094 0.255 0.000 1.080 434 V CA 1.990 64.465 62.300 0.291 0.000 1.102 434 V CB -0.957 30.971 31.823 0.174 0.000 0.705 434 V HN 0.316 nan 8.190 nan 0.000 0.475 435 E N 0.495 120.777 120.200 0.137 0.000 2.511 435 E HA -0.042 4.308 4.350 0.000 0.000 0.196 435 E C 2.136 178.741 176.600 0.009 0.000 1.066 435 E CA 0.710 57.155 56.400 0.077 0.000 0.871 435 E CB -0.366 29.364 29.700 0.050 0.000 0.863 435 E HN 0.794 nan 8.360 nan 0.000 0.520 436 Q N -1.094 118.662 119.800 -0.073 0.000 2.172 436 Q HA -0.082 4.258 4.340 0.000 0.000 0.200 436 Q C 0.136 175.904 176.000 -0.387 0.000 0.964 436 Q CA 0.699 56.324 55.803 -0.297 0.000 0.855 436 Q CB 0.003 28.406 28.738 -0.558 0.000 0.918 436 Q HN 0.400 nan 8.270 nan 0.000 0.444 437 Y N 1.117 121.431 120.300 0.023 0.000 2.851 437 Y HA 0.012 4.562 4.550 0.000 0.000 0.369 437 Y C 1.485 177.394 175.900 0.014 0.000 1.226 437 Y CA 0.250 58.361 58.100 0.019 0.000 1.949 437 Y CB -0.528 37.945 38.460 0.022 0.000 2.059 437 Y HN 0.128 nan 8.280 nan 0.000 0.420 438 T N -2.667 111.919 114.554 0.055 0.000 3.043 438 T HA 0.185 4.535 4.350 0.000 0.000 0.263 438 T C 1.186 175.912 174.700 0.043 0.000 1.094 438 T CA 0.180 62.307 62.100 0.044 0.000 1.127 438 T CB -0.066 68.809 68.868 0.011 0.000 0.905 438 T HN 0.423 nan 8.240 nan 0.000 0.490 439 A N 3.174 126.022 122.820 0.046 0.000 2.540 439 A HA 0.410 4.730 4.320 0.000 0.000 0.239 439 A C 0.704 178.315 177.584 0.045 0.000 1.061 439 A CA -0.537 51.523 52.037 0.039 0.000 0.758 439 A CB -0.308 18.717 19.000 0.042 0.000 0.991 439 A HN 0.466 nan 8.150 nan 0.000 0.502 440 L N 1.038 122.277 121.223 0.027 0.000 2.769 440 L HA -0.086 4.254 4.340 0.000 0.000 0.293 440 L C 1.532 178.416 176.870 0.023 0.000 1.224 440 L CA 2.133 56.986 54.840 0.021 0.000 0.906 440 L CB -1.282 40.784 42.059 0.011 0.000 1.193 440 L HN 1.711 nan 8.230 nan 0.000 0.488 441 A N 2.420 125.250 122.820 0.018 0.000 3.384 441 A HA -0.134 4.186 4.320 0.000 0.000 0.260 441 A C 0.999 178.593 177.584 0.016 0.000 1.168 441 A CA 0.840 52.881 52.037 0.007 0.000 1.253 441 A CB -2.085 16.913 19.000 -0.004 0.000 1.122 441 A HN 1.033 nan 8.150 nan 0.000 0.934 442 G N -1.655 107.177 108.800 0.053 0.000 2.653 442 G HA2 0.423 4.383 3.960 0.000 0.000 0.265 442 G HA3 0.423 4.383 3.960 0.000 0.000 0.265 442 G C 0.813 175.750 174.900 0.062 0.000 1.237 442 G CA 0.893 46.045 45.100 0.088 0.000 0.946 442 G HN 0.933 nan 8.290 nan 0.000 0.522 443 T N -0.550 114.040 114.554 0.061 0.000 3.129 443 T HA 0.386 4.736 4.350 0.000 0.000 0.251 443 T C 1.338 176.101 174.700 0.104 0.000 1.117 443 T CA 0.665 62.793 62.100 0.046 0.000 1.034 443 T CB -0.783 68.076 68.868 -0.016 0.000 0.968 443 T HN 0.820 nan 8.240 nan 0.000 0.526 444 A N 1.117 124.028 122.820 0.151 0.000 2.520 444 A HA 0.264 4.584 4.320 0.000 0.000 0.235 444 A C 1.552 179.183 177.584 0.078 0.000 1.065 444 A CA 0.028 52.138 52.037 0.122 0.000 0.764 444 A CB 0.112 19.177 19.000 0.108 0.000 1.002 444 A HN 0.537 nan 8.150 nan 0.000 0.502 445 K N 1.066 121.507 120.400 0.067 0.000 2.044 445 K HA -0.206 4.114 4.320 0.000 0.000 0.210 445 K C 2.259 178.884 176.600 0.041 0.000 1.049 445 K CA 2.235 58.553 56.287 0.053 0.000 0.927 445 K CB -0.228 32.301 32.500 0.049 0.000 0.713 445 K HN 0.913 nan 8.250 nan 0.000 0.443 446 S N -0.329 115.394 115.700 0.038 0.000 2.383 446 S HA -0.172 4.298 4.470 0.000 0.000 0.229 446 S C 2.133 176.750 174.600 0.028 0.000 1.030 446 S CA 1.739 59.956 58.200 0.029 0.000 1.002 446 S CB -0.458 62.757 63.200 0.025 0.000 0.829 446 S HN 0.342 nan 8.310 nan 0.000 0.467 447 S N 1.232 116.954 115.700 0.036 0.000 2.371 447 S HA -0.078 4.393 4.470 0.000 0.000 0.224 447 S C 2.049 176.662 174.600 0.021 0.000 1.029 447 S CA 1.284 59.502 58.200 0.032 0.000 0.978 447 S CB -0.801 62.428 63.200 0.047 0.000 0.833 447 S HN 0.752 nan 8.310 nan 0.000 0.466 448 V N -0.271 119.658 119.914 0.024 0.000 2.358 448 V HA -0.062 4.058 4.120 0.000 0.000 0.246 448 V C 2.302 178.402 176.094 0.009 0.000 1.047 448 V CA 2.315 64.623 62.300 0.013 0.000 1.035 448 V CB -1.939 29.896 31.823 0.020 0.000 0.658 448 V HN 0.430 nan 8.190 nan 0.000 0.452 449 T N 0.729 115.292 114.554 0.016 0.000 2.684 449 T HA -0.186 4.165 4.350 0.000 0.000 0.267 449 T C 1.963 176.668 174.700 0.008 0.000 1.036 449 T CA 2.522 64.630 62.100 0.014 0.000 1.148 449 T CB -0.687 68.192 68.868 0.018 0.000 0.863 449 T HN 0.676 nan 8.240 nan 0.000 0.436 450 T N 2.248 116.807 114.554 0.008 0.000 2.759 450 T HA -0.133 4.217 4.350 0.000 0.000 0.269 450 T C 2.153 176.852 174.700 -0.002 0.000 1.042 450 T CA 1.200 63.303 62.100 0.005 0.000 1.140 450 T CB -0.288 68.584 68.868 0.006 0.000 0.864 450 T HN 0.508 nan 8.240 nan 0.000 0.455 451 Q N 0.178 119.975 119.800 -0.005 0.000 2.084 451 Q HA -0.015 4.325 4.340 0.000 0.000 0.202 451 Q C 2.378 178.367 176.000 -0.017 0.000 0.978 451 Q CA 1.213 57.007 55.803 -0.016 0.000 0.844 451 Q CB -0.374 28.349 28.738 -0.025 0.000 0.898 451 Q HN 0.520 nan 8.270 nan 0.000 0.426 452 I N 0.789 121.352 120.570 -0.013 0.000 2.208 452 I HA -0.288 3.882 4.170 0.000 0.000 0.245 452 I C 1.987 178.100 176.117 -0.007 0.000 1.097 452 I CA 1.332 62.625 61.300 -0.011 0.000 1.363 452 I CB -0.203 37.794 38.000 -0.004 0.000 1.051 452 I HN 0.240 nan 8.210 nan 0.000 0.413 453 E N 0.340 120.538 120.200 -0.004 0.000 2.072 453 E HA -0.238 4.112 4.350 0.000 0.000 0.191 453 E C 2.252 178.849 176.600 -0.004 0.000 0.985 453 E CA 0.998 57.397 56.400 -0.002 0.000 0.801 453 E CB -0.040 29.660 29.700 0.001 0.000 0.750 453 E HN 0.513 nan 8.360 nan 0.000 0.452 454 Q N 0.080 119.876 119.800 -0.007 0.000 2.084 454 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 454 Q C 2.113 178.106 176.000 -0.011 0.000 0.978 454 Q CA 0.949 56.747 55.803 -0.009 0.000 0.844 454 Q CB -0.031 28.701 28.738 -0.011 0.000 0.898 454 Q HN 0.159 nan 8.270 nan 0.000 0.426 455 L N 0.607 121.821 121.223 -0.015 0.000 2.017 455 L HA -0.183 4.157 4.340 0.000 0.000 0.208 455 L C 2.307 179.171 176.870 -0.011 0.000 1.073 455 L CA 1.702 56.532 54.840 -0.017 0.000 0.745 455 L CB -0.678 41.366 42.059 -0.025 0.000 0.894 455 L HN 0.134 nan 8.230 nan 0.000 0.432 456 R N -0.308 120.187 120.500 -0.008 0.000 2.094 456 R HA -0.186 4.154 4.340 0.000 0.000 0.239 456 R C 1.987 178.285 176.300 -0.003 0.000 1.137 456 R CA 1.453 57.550 56.100 -0.004 0.000 0.943 456 R CB -0.530 29.769 30.300 -0.002 0.000 0.850 456 R HN 0.422 nan 8.270 nan 0.000 0.433 457 E N 0.669 120.867 120.200 -0.004 0.000 2.265 457 E HA -0.126 4.224 4.350 0.000 0.000 0.196 457 E C 2.085 178.683 176.600 -0.003 0.000 0.996 457 E CA 0.724 57.123 56.400 -0.003 0.000 0.832 457 E CB -0.081 29.617 29.700 -0.003 0.000 0.756 457 E HN 0.395 nan 8.360 nan 0.000 0.491 458 L N -0.320 120.901 121.223 -0.004 0.000 2.162 458 L HA 0.017 4.357 4.340 0.000 0.000 0.205 458 L C 2.458 179.327 176.870 -0.002 0.000 1.086 458 L CA 0.469 55.306 54.840 -0.004 0.000 0.778 458 L CB -0.255 41.801 42.059 -0.006 0.000 0.928 458 L HN 0.106 nan 8.230 nan 0.000 0.446 459 M N -0.566 119.033 119.600 -0.002 0.000 2.358 459 M HA -0.196 4.284 4.480 0.000 0.000 0.264 459 M C 1.892 178.191 176.300 -0.001 0.000 1.064 459 M CA 1.379 56.679 55.300 0.000 0.000 1.093 459 M CB -0.222 32.378 32.600 0.000 0.000 1.401 459 M HN 0.031 nan 8.290 nan 0.000 0.440 460 K N 0.306 120.705 120.400 -0.002 0.000 2.116 460 K HA -0.005 4.315 4.320 0.000 0.000 0.203 460 K C 1.899 178.496 176.600 -0.005 0.000 1.052 460 K CA 0.911 57.196 56.287 -0.003 0.000 0.952 460 K CB -0.053 32.446 32.500 -0.003 0.000 0.729 460 K HN 0.045 nan 8.250 nan 0.000 0.446 461 K N 0.378 120.775 120.400 -0.004 0.000 2.155 461 K HA -0.055 4.265 4.320 0.000 0.000 0.203 461 K C 2.027 178.623 176.600 -0.006 0.000 1.052 461 K CA 1.111 57.395 56.287 -0.005 0.000 0.948 461 K CB 0.021 32.520 32.500 -0.003 0.000 0.728 461 K HN 0.059 nan 8.250 nan 0.000 0.448 462 Q N 0.909 120.707 119.800 -0.004 0.000 2.187 462 Q HA -0.041 4.299 4.340 0.000 0.000 0.199 462 Q C 1.868 177.863 176.000 -0.009 0.000 0.957 462 Q CA 1.219 57.019 55.803 -0.004 0.000 0.857 462 Q CB 0.021 28.762 28.738 0.005 0.000 0.929 462 Q HN 0.036 nan 8.270 nan 0.000 0.453 463 K N 0.808 121.203 120.400 -0.009 0.000 2.148 463 K HA -0.066 4.254 4.320 0.000 0.000 0.204 463 K C 0.671 177.260 176.600 -0.018 0.000 1.050 463 K CA 0.743 57.022 56.287 -0.013 0.000 0.942 463 K CB 0.034 32.528 32.500 -0.009 0.000 0.724 463 K HN 0.256 nan 8.250 nan 0.000 0.446 464 E N 0.000 120.191 120.200 -0.016 0.000 2.725 464 E HA 0.000 4.350 4.350 0.000 0.000 0.291 464 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 464 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 464 E HN 0.000 nan 8.360 nan 0.000 0.440