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 3bzc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDSINTRIAE ELSALPSGRV QPQQVAAAVA LLDEGSTVPF IARYRKEVTG DATA SEQUENCE SLDDTQLRML EERLRYLREL EERRGAILAS IEEQGKLTPE LARDIKLADT DATA SEQUENCE KTRLEDLYLP YKQKRRTKGQ IALEAGLGAL ADALFDDPTL VPESEAARFV DATA SEQUENCE DAEKGFADVK AVLEGAKYIL MERFAEDATL LDKLRVFMKN EATLTARVVP DATA SEQUENCE GKEQEGAKFS DYFEHDEPLK SAPSHRALAI FRGRNEGVLS ASLKVGEEAP DATA SEQUENCE GTLHPCEVMI AERFGLSNQG RAADKWLAEV VRWTWKVKLY THLETDLFGE DATA SEQUENCE LRDGAEDEAI SVFARNLHDL LLAAPAGPRA TLGLDPGLRT GVKVAVVDAT DATA SEQUENCE GKLLDTATVY PHAPKNQWDQ TLAVLAALCA KHQVELIAIG NGTASRETDK DATA SEQUENCE LAGELIKKYP GMKLTKIMVS EAGASVYSAS ELAAKEFPEL DVSLRGAVSI DATA SEQUENCE ARRLQDPLAE LVKIEPKSIG VGQYQHDVSQ LKLARSLDAV VEDCVNAVGV DATA SEQUENCE DVNTASAALL ARISGLNSTL AQNIVAHRDA NGAFRTRDEL KKVSRLGEKT DATA SEQUENCE FEQAAGFLRV MNGDNPLDAS AVHPETYPLV QRIAADTERD IRSLIGDSAF DATA SEQUENCE LKRLDPKKFT DETFGLPTVT DILKELDKPG RDPRPEFKTA EFQEGVESLK DATA SEQUENCE DLKPGMVLEG VVTNVTNFGA FVDIGVHQDG LVHISALSEK FVKDPYEVVK DATA SEQUENCE AGDIVKVKVM EVDIPRNRVG LSMRMSDTPG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 D N 1.284 121.686 120.400 0.004 0.000 2.104 2 D HA -0.132 4.508 4.640 0.000 0.000 0.194 2 D C 1.707 178.012 176.300 0.008 0.000 0.994 2 D CA 2.285 56.289 54.000 0.006 0.000 0.830 2 D CB -0.015 40.788 40.800 0.005 0.000 0.959 2 D HN 0.767 nan 8.370 nan 0.000 0.452 3 S N 0.436 116.140 115.700 0.006 0.000 2.400 3 S HA -0.130 4.340 4.470 0.000 0.000 0.232 3 S C 2.231 176.839 174.600 0.013 0.000 1.025 3 S CA 0.638 58.843 58.200 0.009 0.000 0.993 3 S CB -0.526 62.677 63.200 0.005 0.000 0.808 3 S HN 0.287 nan 8.310 nan 0.000 0.478 4 I N 2.507 123.085 120.570 0.012 0.000 2.193 4 I HA -0.157 4.013 4.170 0.000 0.000 0.240 4 I C 2.298 178.428 176.117 0.022 0.000 1.084 4 I CA 1.122 62.434 61.300 0.019 0.000 1.365 4 I CB -0.811 37.198 38.000 0.015 0.000 1.064 4 I HN 0.263 nan 8.210 nan 0.000 0.410 5 N N 0.992 119.702 118.700 0.017 0.000 2.061 5 N HA -0.166 4.574 4.740 0.000 0.000 0.193 5 N C 1.830 177.351 175.510 0.017 0.000 1.030 5 N CA 2.089 55.149 53.050 0.017 0.000 0.856 5 N CB -0.975 37.521 38.487 0.014 0.000 1.023 5 N HN 0.338 nan 8.380 nan 0.000 0.424 6 T N 1.123 115.686 114.554 0.016 0.000 2.652 6 T HA -0.168 4.182 4.350 0.000 0.000 0.267 6 T C 2.021 176.732 174.700 0.019 0.000 1.039 6 T CA 1.439 63.547 62.100 0.015 0.000 1.153 6 T CB -0.124 68.752 68.868 0.013 0.000 0.863 6 T HN 0.321 nan 8.240 nan 0.000 0.428 7 R N 0.686 121.200 120.500 0.023 0.000 2.073 7 R HA -0.012 4.328 4.340 0.000 0.000 0.234 7 R C 2.449 178.767 176.300 0.030 0.000 1.134 7 R CA 1.364 57.482 56.100 0.030 0.000 0.952 7 R CB -0.460 29.865 30.300 0.041 0.000 0.850 7 R HN 0.385 nan 8.270 nan 0.000 0.433 8 I N 0.869 121.458 120.570 0.032 0.000 2.163 8 I HA -0.272 3.898 4.170 0.000 0.000 0.243 8 I C 2.621 178.750 176.117 0.020 0.000 1.085 8 I CA 1.329 62.647 61.300 0.030 0.000 1.347 8 I CB -0.667 37.352 38.000 0.032 0.000 1.044 8 I HN 0.359 nan 8.210 nan 0.000 0.408 9 A N 0.619 123.450 122.820 0.018 0.000 1.903 9 A HA -0.324 3.996 4.320 0.000 0.000 0.219 9 A C 2.204 179.795 177.584 0.011 0.000 1.191 9 A CA 2.423 54.468 52.037 0.013 0.000 0.638 9 A CB -0.718 18.289 19.000 0.012 0.000 0.823 9 A HN 0.429 nan 8.150 nan 0.000 0.451 10 E N 0.019 120.226 120.200 0.013 0.000 2.058 10 E HA -0.192 4.158 4.350 0.000 0.000 0.194 10 E C 1.945 178.550 176.600 0.008 0.000 0.997 10 E CA 1.918 58.325 56.400 0.011 0.000 0.801 10 E CB -0.297 29.411 29.700 0.013 0.000 0.746 10 E HN 0.744 nan 8.360 nan 0.000 0.450 11 E N -0.171 120.035 120.200 0.010 0.000 2.110 11 E HA -0.154 4.196 4.350 0.000 0.000 0.193 11 E C 2.222 178.823 176.600 0.001 0.000 0.988 11 E CA 0.996 57.399 56.400 0.004 0.000 0.804 11 E CB -0.145 29.558 29.700 0.006 0.000 0.745 11 E HN 0.297 nan 8.360 nan 0.000 0.458 12 L N 0.718 121.943 121.223 0.004 0.000 2.093 12 L HA -0.138 4.202 4.340 0.000 0.000 0.208 12 L C 2.324 179.194 176.870 -0.000 0.000 1.085 12 L CA 0.763 55.604 54.840 0.001 0.000 0.755 12 L CB -0.299 41.763 42.059 0.005 0.000 0.904 12 L HN 0.062 nan 8.230 nan 0.000 0.435 13 S N 0.116 115.816 115.700 0.002 0.000 2.500 13 S HA -0.110 4.361 4.470 0.000 0.000 0.239 13 S C 1.952 176.551 174.600 -0.002 0.000 0.989 13 S CA 0.971 59.172 58.200 0.001 0.000 0.951 13 S CB -0.151 63.050 63.200 0.002 0.000 0.759 13 S HN 0.494 nan 8.310 nan 0.000 0.523 14 A N 0.652 123.470 122.820 -0.003 0.000 2.169 14 A HA 0.301 4.621 4.320 0.000 0.000 0.212 14 A C 0.798 178.377 177.584 -0.008 0.000 1.153 14 A CA 0.115 52.149 52.037 -0.006 0.000 0.756 14 A CB -0.205 18.791 19.000 -0.007 0.000 0.813 14 A HN 0.401 nan 8.150 nan 0.000 0.471 15 L N -0.446 120.772 121.223 -0.008 0.000 2.452 15 L HA 0.141 4.481 4.340 0.000 0.000 0.267 15 L C -1.372 175.493 176.870 -0.009 0.000 1.188 15 L CA -1.642 53.192 54.840 -0.010 0.000 0.821 15 L CB 0.283 42.335 42.059 -0.011 0.000 1.102 15 L HN 0.031 nan 8.230 nan 0.000 0.470 16 P HA -0.178 nan 4.420 nan 0.000 0.217 16 P C 1.421 178.716 177.300 -0.007 0.000 1.148 16 P CA 1.266 64.360 63.100 -0.009 0.000 0.828 16 P CB 0.085 31.778 31.700 -0.011 0.000 0.783 17 S N -1.768 113.927 115.700 -0.008 0.000 2.528 17 S HA 0.104 4.574 4.470 0.000 0.000 0.244 17 S C 1.341 175.938 174.600 -0.004 0.000 0.982 17 S CA 0.538 58.734 58.200 -0.006 0.000 0.953 17 S CB -1.537 61.660 63.200 -0.006 0.000 0.754 17 S HN 0.440 nan 8.310 nan 0.000 0.529 18 G N 1.659 110.456 108.800 -0.004 0.000 2.698 18 G HA2 -0.276 3.684 3.960 0.000 0.000 0.233 18 G HA3 -0.276 3.684 3.960 0.000 0.000 0.233 18 G C -0.361 174.538 174.900 -0.001 0.000 1.352 18 G CA -0.250 44.848 45.100 -0.003 0.000 0.879 18 G HN 0.758 nan 8.290 nan 0.000 0.567 19 R N -0.805 119.695 120.500 -0.000 0.000 2.486 19 R HA 0.299 4.639 4.340 0.000 0.000 0.304 19 R C 0.114 176.416 176.300 0.002 0.000 0.913 19 R CA 0.857 56.957 56.100 0.001 0.000 1.124 19 R CB -0.331 29.970 30.300 0.001 0.000 0.891 19 R HN 0.931 nan 8.270 nan 0.000 0.410 20 V N 5.821 125.737 119.914 0.003 0.000 2.628 20 V HA 0.331 4.452 4.120 0.000 0.000 0.306 20 V C -0.186 175.911 176.094 0.006 0.000 1.045 20 V CA -0.835 61.468 62.300 0.005 0.000 0.905 20 V CB 1.936 33.763 31.823 0.006 0.000 0.997 20 V HN 0.719 nan 8.190 nan 0.000 0.436 21 Q N 4.255 124.059 119.800 0.007 0.000 2.227 21 Q HA 0.349 4.690 4.340 0.000 0.000 0.245 21 Q C -1.866 174.139 176.000 0.009 0.000 0.926 21 Q CA -2.151 53.656 55.803 0.007 0.000 0.895 21 Q CB 1.388 30.130 28.738 0.006 0.000 1.230 21 Q HN 0.351 nan 8.270 nan 0.000 0.450 22 P HA -0.205 nan 4.420 nan 0.000 0.221 22 P C 1.052 178.358 177.300 0.011 0.000 1.145 22 P CA 1.380 64.486 63.100 0.010 0.000 0.795 22 P CB 0.416 32.122 31.700 0.010 0.000 0.775 23 Q N 0.058 119.864 119.800 0.009 0.000 2.187 23 Q HA -0.150 4.190 4.340 0.000 0.000 0.199 23 Q C 1.957 177.963 176.000 0.011 0.000 0.957 23 Q CA 1.546 57.355 55.803 0.009 0.000 0.857 23 Q CB -1.240 27.502 28.738 0.007 0.000 0.929 23 Q HN 0.257 nan 8.270 nan 0.000 0.453 24 Q N 0.031 119.838 119.800 0.011 0.000 2.079 24 Q HA -0.065 4.275 4.340 0.000 0.000 0.200 24 Q C 2.189 178.199 176.000 0.017 0.000 0.974 24 Q CA 1.656 57.467 55.803 0.013 0.000 0.840 24 Q CB -0.027 28.718 28.738 0.011 0.000 0.898 24 Q HN 0.302 nan 8.270 nan 0.000 0.430 25 V N 1.082 121.005 119.914 0.016 0.000 2.358 25 V HA -0.241 3.879 4.120 0.000 0.000 0.246 25 V C 2.312 178.418 176.094 0.020 0.000 1.047 25 V CA 1.685 63.997 62.300 0.019 0.000 1.035 25 V CB -0.942 30.892 31.823 0.019 0.000 0.658 25 V HN 0.388 nan 8.190 nan 0.000 0.452 26 A N 0.107 122.937 122.820 0.017 0.000 1.917 26 A HA -0.204 4.116 4.320 0.000 0.000 0.219 26 A C 2.410 180.005 177.584 0.019 0.000 1.182 26 A CA 2.420 54.466 52.037 0.016 0.000 0.633 26 A CB -0.789 18.219 19.000 0.013 0.000 0.819 26 A HN 0.577 nan 8.150 nan 0.000 0.448 27 A N -0.302 122.530 122.820 0.020 0.000 1.855 27 A HA 0.210 4.530 4.320 0.000 0.000 0.215 27 A C 2.566 180.170 177.584 0.033 0.000 1.191 27 A CA 2.141 54.192 52.037 0.024 0.000 0.613 27 A CB -1.212 17.801 19.000 0.022 0.000 0.829 27 A HN 1.126 nan 8.150 nan 0.000 0.442 28 A N -0.435 122.406 122.820 0.034 0.000 1.892 28 A HA -0.086 4.234 4.320 0.000 0.000 0.218 28 A C 2.237 179.847 177.584 0.043 0.000 1.188 28 A CA 2.069 54.132 52.037 0.043 0.000 0.631 28 A CB -1.166 17.857 19.000 0.038 0.000 0.822 28 A HN 0.466 nan 8.150 nan 0.000 0.447 29 V N -0.111 119.823 119.914 0.034 0.000 2.332 29 V HA -0.289 3.831 4.120 0.000 0.000 0.248 29 V C 3.050 179.162 176.094 0.030 0.000 1.055 29 V CA 2.025 64.343 62.300 0.030 0.000 1.038 29 V CB -1.359 30.479 31.823 0.024 0.000 0.651 29 V HN 0.651 nan 8.190 nan 0.000 0.450 30 A N -0.133 122.704 122.820 0.029 0.000 1.908 30 A HA -0.192 4.128 4.320 0.000 0.000 0.218 30 A C 2.215 179.821 177.584 0.036 0.000 1.181 30 A CA 2.008 54.062 52.037 0.027 0.000 0.627 30 A CB -0.568 18.447 19.000 0.025 0.000 0.818 30 A HN 0.519 nan 8.150 nan 0.000 0.445 31 L N -0.812 120.441 121.223 0.051 0.000 2.083 31 L HA -0.168 4.172 4.340 0.000 0.000 0.209 31 L C 2.558 179.465 176.870 0.061 0.000 1.083 31 L CA 0.974 55.857 54.840 0.071 0.000 0.752 31 L CB -0.520 41.605 42.059 0.110 0.000 0.899 31 L HN 0.367 nan 8.230 nan 0.000 0.433 32 L N -0.629 120.626 121.223 0.054 0.000 2.056 32 L HA -0.209 4.131 4.340 0.000 0.000 0.207 32 L C 2.248 179.134 176.870 0.027 0.000 1.078 32 L CA 1.032 55.898 54.840 0.043 0.000 0.749 32 L CB -0.626 41.457 42.059 0.041 0.000 0.901 32 L HN 0.252 nan 8.230 nan 0.000 0.433 33 D N 0.315 120.729 120.400 0.023 0.000 2.149 33 D HA -0.186 4.454 4.640 0.000 0.000 0.198 33 D C 1.749 178.055 176.300 0.009 0.000 0.990 33 D CA 1.191 55.200 54.000 0.014 0.000 0.839 33 D CB -0.091 40.717 40.800 0.013 0.000 0.948 33 D HN 0.439 nan 8.370 nan 0.000 0.460 34 E N -0.362 119.845 120.200 0.011 0.000 2.512 34 E HA 0.207 4.557 4.350 0.000 0.000 0.195 34 E C 0.986 177.580 176.600 -0.010 0.000 1.083 34 E CA 0.247 56.648 56.400 0.002 0.000 0.873 34 E CB 0.119 29.823 29.700 0.006 0.000 0.897 34 E HN 0.244 nan 8.360 nan 0.000 0.514 35 G N 1.435 110.231 108.800 -0.006 0.000 2.176 35 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 35 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 35 G C 0.135 175.012 174.900 -0.039 0.000 1.024 35 G CA 0.282 45.371 45.100 -0.018 0.000 0.755 35 G HN 0.241 nan 8.290 nan 0.000 0.507 36 S N 0.030 115.718 115.700 -0.019 0.000 2.601 36 S HA 0.714 5.184 4.470 0.000 0.000 0.271 36 S C 0.799 175.433 174.600 0.056 0.000 1.305 36 S CA 0.255 58.441 58.200 -0.022 0.000 1.022 36 S CB 1.492 64.741 63.200 0.082 0.000 0.940 36 S HN 1.161 nan 8.310 nan 0.000 0.525 37 T N -1.126 113.487 114.554 0.099 0.000 2.934 37 T HA 0.415 4.765 4.350 0.000 0.000 0.283 37 T C 1.320 176.121 174.700 0.169 0.000 1.005 37 T CA -0.895 61.269 62.100 0.107 0.000 1.041 37 T CB 0.799 69.707 68.868 0.067 0.000 1.042 37 T HN 0.155 nan 8.240 nan 0.000 0.505 38 V N 2.457 122.431 119.914 0.100 0.000 2.287 38 V HA -0.068 4.053 4.120 0.000 0.000 0.248 38 V C -0.555 175.609 176.094 0.116 0.000 1.053 38 V CA 1.789 64.145 62.300 0.093 0.000 1.027 38 V CB -1.639 30.213 31.823 0.049 0.000 0.646 38 V HN 0.764 nan 8.190 nan 0.000 0.447 39 P HA -0.193 nan 4.420 nan 0.000 0.215 39 P C 1.718 179.243 177.300 0.376 0.000 1.153 39 P CA 1.583 64.740 63.100 0.095 0.000 0.853 39 P CB -0.135 31.419 31.700 -0.243 0.000 0.788 40 F N 0.138 120.283 119.950 0.324 0.000 2.051 40 F HA -0.178 4.349 4.527 0.000 0.000 0.296 40 F C 2.124 178.103 175.800 0.298 0.000 1.122 40 F CA 1.538 59.830 58.000 0.486 0.000 1.201 40 F CB -0.767 38.446 39.000 0.355 0.000 0.978 40 F HN -0.270 nan 8.300 nan 0.000 0.472 41 I N 0.440 121.209 120.570 0.331 0.000 2.208 41 I HA -0.353 3.817 4.170 0.000 0.000 0.245 41 I C 2.684 178.811 176.117 0.017 0.000 1.097 41 I CA 1.312 62.703 61.300 0.153 0.000 1.363 41 I CB -0.971 37.133 38.000 0.174 0.000 1.051 41 I HN 0.285 nan 8.210 nan 0.000 0.413 42 A N 0.458 123.302 122.820 0.040 0.000 1.933 42 A HA -0.237 4.083 4.320 0.000 0.000 0.218 42 A C 2.409 179.933 177.584 -0.100 0.000 1.175 42 A CA 1.986 54.018 52.037 -0.009 0.000 0.628 42 A CB -0.509 18.503 19.000 0.020 0.000 0.814 42 A HN 0.372 nan 8.150 nan 0.000 0.444 43 R N -2.534 117.859 120.500 -0.178 0.000 2.075 43 R HA 0.067 4.407 4.340 0.000 0.000 0.220 43 R C 0.946 176.816 176.300 -0.717 0.000 1.118 43 R CA 1.107 56.917 56.100 -0.484 0.000 0.986 43 R CB -0.092 29.829 30.300 -0.632 0.000 0.884 43 R HN 0.554 nan 8.270 nan 0.000 0.439 44 Y N -1.029 119.043 120.300 -0.379 0.000 2.531 44 Y HA 0.395 4.945 4.550 0.000 0.000 0.249 44 Y C 0.376 176.070 175.900 -0.344 0.000 1.168 44 Y CA -0.488 57.336 58.100 -0.460 0.000 1.226 44 Y CB 1.070 39.040 38.460 -0.817 0.000 1.177 44 Y HN -0.214 nan 8.280 nan 0.000 0.527 45 R N 0.215 120.630 120.500 -0.143 0.000 2.698 45 R HA 0.219 4.559 4.340 0.000 0.000 0.422 45 R C 0.673 176.965 176.300 -0.014 0.000 1.073 45 R CA -0.146 55.931 56.100 -0.037 0.000 1.054 45 R CB 0.265 30.575 30.300 0.017 0.000 1.373 45 R HN 0.353 nan 8.270 nan 0.000 0.593 46 K N 1.093 121.476 120.400 -0.028 0.000 2.057 46 K HA -0.163 4.157 4.320 0.000 0.000 0.207 46 K C 1.646 178.247 176.600 0.002 0.000 1.049 46 K CA 1.543 57.819 56.287 -0.018 0.000 0.931 46 K CB 0.284 32.767 32.500 -0.030 0.000 0.714 46 K HN 0.224 nan 8.250 nan 0.000 0.440 47 E N 1.236 121.445 120.200 0.014 0.000 2.110 47 E HA -0.147 4.203 4.350 0.000 0.000 0.193 47 E C 2.040 178.647 176.600 0.012 0.000 0.988 47 E CA 1.152 57.562 56.400 0.016 0.000 0.804 47 E CB -0.624 29.091 29.700 0.025 0.000 0.745 47 E HN 0.087 nan 8.360 nan 0.000 0.458 48 V N 2.095 122.018 119.914 0.015 0.000 2.358 48 V HA -0.173 3.947 4.120 0.000 0.000 0.246 48 V C 2.648 178.753 176.094 0.017 0.000 1.047 48 V CA 2.292 64.602 62.300 0.017 0.000 1.035 48 V CB -0.760 31.080 31.823 0.029 0.000 0.658 48 V HN 0.586 nan 8.190 nan 0.000 0.452 49 T N -3.032 111.533 114.554 0.018 0.000 3.060 49 T HA 0.324 4.674 4.350 0.000 0.000 0.249 49 T C 1.408 176.115 174.700 0.011 0.000 1.079 49 T CA 0.761 62.872 62.100 0.017 0.000 1.013 49 T CB 0.654 69.535 68.868 0.021 0.000 0.975 49 T HN 0.993 nan 8.240 nan 0.000 0.518 50 G N 1.184 109.989 108.800 0.008 0.000 2.171 50 G HA2 -0.203 3.758 3.960 0.000 0.000 0.238 50 G HA3 -0.203 3.758 3.960 0.000 0.000 0.238 50 G C 0.411 175.312 174.900 0.002 0.000 1.039 50 G CA 0.002 45.105 45.100 0.005 0.000 0.759 50 G HN 1.321 nan 8.290 nan 0.000 0.501 51 S N -1.988 113.712 115.700 -0.001 0.000 3.812 51 S HA -0.193 4.278 4.470 0.000 0.000 0.341 51 S C 0.792 175.389 174.600 -0.006 0.000 1.057 51 S CA 0.926 59.122 58.200 -0.007 0.000 1.015 51 S CB -1.616 61.578 63.200 -0.009 0.000 0.893 51 S HN 1.169 nan 8.310 nan 0.000 0.476 52 L N 1.928 123.151 121.223 0.000 0.000 2.490 52 L HA 0.218 4.558 4.340 0.000 0.000 0.274 52 L C 1.020 177.890 176.870 0.000 0.000 1.201 52 L CA -0.015 54.827 54.840 0.003 0.000 0.869 52 L CB 0.220 42.285 42.059 0.011 0.000 1.123 52 L HN 0.397 nan 8.230 nan 0.000 0.484 53 D N 0.296 120.696 120.400 -0.001 0.000 2.478 53 D HA 0.119 4.759 4.640 0.000 0.000 0.263 53 D C 0.369 176.672 176.300 0.005 0.000 1.153 53 D CA -0.648 53.350 54.000 -0.002 0.000 1.038 53 D CB 0.599 41.395 40.800 -0.005 0.000 1.120 53 D HN 0.348 nan 8.370 nan 0.000 0.564 54 D N -0.531 119.874 120.400 0.008 0.000 2.126 54 D HA -0.164 4.477 4.640 0.000 0.000 0.190 54 D C 1.857 178.160 176.300 0.005 0.000 1.001 54 D CA 2.299 56.307 54.000 0.012 0.000 0.841 54 D CB -0.626 40.183 40.800 0.016 0.000 0.949 54 D HN 0.511 nan 8.370 nan 0.000 0.446 55 T N 0.711 115.261 114.554 -0.006 0.000 2.652 55 T HA -0.205 4.145 4.350 0.000 0.000 0.267 55 T C 1.977 176.673 174.700 -0.007 0.000 1.039 55 T CA 1.479 63.570 62.100 -0.014 0.000 1.153 55 T CB -0.360 68.494 68.868 -0.025 0.000 0.863 55 T HN 0.269 nan 8.240 nan 0.000 0.428 56 Q N 0.305 120.104 119.800 -0.003 0.000 2.096 56 Q HA -0.024 4.316 4.340 0.000 0.000 0.204 56 Q C 2.430 178.436 176.000 0.009 0.000 0.982 56 Q CA 1.221 57.025 55.803 0.002 0.000 0.850 56 Q CB -0.393 28.347 28.738 0.003 0.000 0.901 56 Q HN 0.460 nan 8.270 nan 0.000 0.422 57 L N 0.013 121.244 121.223 0.013 0.000 2.141 57 L HA -0.146 4.194 4.340 0.000 0.000 0.209 57 L C 2.447 179.331 176.870 0.022 0.000 1.094 57 L CA 0.691 55.544 54.840 0.023 0.000 0.763 57 L CB -0.186 41.891 42.059 0.031 0.000 0.908 57 L HN 0.136 nan 8.230 nan 0.000 0.437 58 R N -0.494 120.015 120.500 0.015 0.000 2.090 58 R HA -0.084 4.257 4.340 0.000 0.000 0.228 58 R C 2.090 178.397 176.300 0.011 0.000 1.110 58 R CA 1.216 57.324 56.100 0.014 0.000 0.973 58 R CB -0.597 29.708 30.300 0.008 0.000 0.869 58 R HN 0.385 nan 8.270 nan 0.000 0.440 59 M N 0.505 120.109 119.600 0.006 0.000 2.132 59 M HA -0.129 4.351 4.480 0.000 0.000 0.263 59 M C 2.180 178.487 176.300 0.013 0.000 1.065 59 M CA 1.411 56.713 55.300 0.003 0.000 1.122 59 M CB -0.150 32.448 32.600 -0.004 0.000 1.365 59 M HN 0.133 nan 8.290 nan 0.000 0.411 60 L N 0.395 121.628 121.223 0.017 0.000 1.990 60 L HA -0.295 4.045 4.340 0.000 0.000 0.213 60 L C 2.366 179.254 176.870 0.031 0.000 1.072 60 L CA 2.306 57.161 54.840 0.025 0.000 0.755 60 L CB -0.526 41.548 42.059 0.025 0.000 0.889 60 L HN 0.477 nan 8.230 nan 0.000 0.432 61 E N -0.541 119.677 120.200 0.030 0.000 2.085 61 E HA -0.324 4.026 4.350 0.000 0.000 0.194 61 E C 2.064 178.686 176.600 0.037 0.000 0.994 61 E CA 1.666 58.086 56.400 0.033 0.000 0.801 61 E CB -0.128 29.590 29.700 0.029 0.000 0.743 61 E HN 0.660 nan 8.360 nan 0.000 0.453 62 E N -0.022 120.198 120.200 0.034 0.000 2.028 62 E HA -0.208 4.142 4.350 0.000 0.000 0.190 62 E C 2.174 178.812 176.600 0.064 0.000 0.984 62 E CA 0.573 56.997 56.400 0.039 0.000 0.800 62 E CB 0.040 29.752 29.700 0.019 0.000 0.758 62 E HN 0.065 nan 8.360 nan 0.000 0.448 63 R N 0.631 121.164 120.500 0.055 0.000 2.091 63 R HA -0.140 4.200 4.340 0.000 0.000 0.238 63 R C 2.515 178.886 176.300 0.118 0.000 1.136 63 R CA 0.795 56.949 56.100 0.091 0.000 0.959 63 R CB -1.273 29.063 30.300 0.059 0.000 0.856 63 R HN 0.307 nan 8.270 nan 0.000 0.437 64 L N 1.330 122.598 121.223 0.075 0.000 2.079 64 L HA -0.151 4.189 4.340 0.000 0.000 0.210 64 L C 2.527 179.433 176.870 0.059 0.000 1.081 64 L CA 1.759 56.634 54.840 0.059 0.000 0.752 64 L CB -0.390 41.694 42.059 0.041 0.000 0.896 64 L HN 0.050 nan 8.230 nan 0.000 0.433 65 R N -1.914 118.630 120.500 0.073 0.000 2.061 65 R HA -0.241 4.099 4.340 0.000 0.000 0.230 65 R C 2.437 178.789 176.300 0.086 0.000 1.140 65 R CA 1.940 58.080 56.100 0.067 0.000 0.940 65 R CB -0.732 29.609 30.300 0.068 0.000 0.839 65 R HN 0.490 nan 8.270 nan 0.000 0.429 66 Y N 1.242 121.543 120.300 0.003 0.000 2.128 66 Y HA -0.214 4.336 4.550 0.000 0.000 0.284 66 Y C 1.871 177.771 175.900 0.001 0.000 1.154 66 Y CA 1.826 59.927 58.100 0.002 0.000 1.149 66 Y CB -0.273 38.190 38.460 0.004 0.000 0.976 66 Y HN 0.076 nan 8.280 nan 0.000 0.505 67 L N -0.144 121.111 121.223 0.054 0.000 2.201 67 L HA -0.170 4.170 4.340 0.000 0.000 0.212 67 L C 2.494 179.303 176.870 -0.102 0.000 1.105 67 L CA 1.172 55.980 54.840 -0.053 0.000 0.775 67 L CB -0.454 41.645 42.059 0.067 0.000 0.913 67 L HN 0.188 nan 8.230 nan 0.000 0.440 68 R N -0.062 120.401 120.500 -0.061 0.000 2.148 68 R HA -0.117 4.223 4.340 0.000 0.000 0.223 68 R C 2.018 178.262 176.300 -0.093 0.000 1.088 68 R CA 0.890 56.955 56.100 -0.059 0.000 0.985 68 R CB -0.053 30.232 30.300 -0.025 0.000 0.880 68 R HN 0.461 nan 8.270 nan 0.000 0.451 69 E N 0.571 120.688 120.200 -0.138 0.000 2.046 69 E HA -0.171 4.179 4.350 0.000 0.000 0.190 69 E C 1.819 178.302 176.600 -0.195 0.000 0.982 69 E CA 0.703 57.010 56.400 -0.155 0.000 0.800 69 E CB -0.044 29.555 29.700 -0.168 0.000 0.756 69 E HN 0.046 nan 8.360 nan 0.000 0.449 70 L N 1.603 122.645 121.223 -0.302 0.000 1.990 70 L HA -0.227 4.113 4.340 0.000 0.000 0.213 70 L C 2.132 178.911 176.870 -0.151 0.000 1.072 70 L CA 1.854 56.536 54.840 -0.263 0.000 0.755 70 L CB -0.304 41.557 42.059 -0.330 0.000 0.889 70 L HN 0.028 nan 8.230 nan 0.000 0.432 71 E N -0.373 119.753 120.200 -0.124 0.000 2.110 71 E HA -0.204 4.147 4.350 0.000 0.000 0.193 71 E C 2.153 178.706 176.600 -0.078 0.000 0.988 71 E CA 0.935 57.285 56.400 -0.082 0.000 0.804 71 E CB -0.110 29.553 29.700 -0.061 0.000 0.745 71 E HN 0.532 nan 8.360 nan 0.000 0.458 72 E N 0.350 120.499 120.200 -0.084 0.000 2.051 72 E HA -0.195 4.155 4.350 0.000 0.000 0.192 72 E C 2.172 178.720 176.600 -0.087 0.000 0.991 72 E CA 0.914 57.269 56.400 -0.075 0.000 0.799 72 E CB -0.150 29.508 29.700 -0.070 0.000 0.748 72 E HN 0.002 nan 8.360 nan 0.000 0.449 73 R N 1.454 121.892 120.500 -0.103 0.000 2.075 73 R HA -0.090 4.250 4.340 0.000 0.000 0.232 73 R C 2.291 178.512 176.300 -0.131 0.000 1.126 73 R CA 1.900 57.929 56.100 -0.118 0.000 0.963 73 R CB -0.509 29.722 30.300 -0.115 0.000 0.858 73 R HN 0.049 nan 8.270 nan 0.000 0.435 74 R N -0.491 119.945 120.500 -0.107 0.000 2.103 74 R HA -0.098 4.242 4.340 0.000 0.000 0.242 74 R C 2.095 178.339 176.300 -0.093 0.000 1.142 74 R CA 2.109 58.154 56.100 -0.091 0.000 0.960 74 R CB -1.041 29.220 30.300 -0.066 0.000 0.858 74 R HN 0.382 nan 8.270 nan 0.000 0.439 75 G N -0.113 108.637 108.800 -0.083 0.000 2.459 75 G HA2 -0.301 3.659 3.960 0.000 0.000 0.217 75 G HA3 -0.301 3.659 3.960 0.000 0.000 0.217 75 G C 1.600 176.445 174.900 -0.091 0.000 1.183 75 G CA 0.907 45.963 45.100 -0.073 0.000 0.776 75 G HN 0.525 nan 8.290 nan 0.000 0.552 76 A N 0.727 123.480 122.820 -0.111 0.000 1.892 76 A HA -0.057 4.264 4.320 0.000 0.000 0.218 76 A C 2.443 179.908 177.584 -0.198 0.000 1.188 76 A CA 1.570 53.528 52.037 -0.132 0.000 0.631 76 A CB -0.453 18.463 19.000 -0.140 0.000 0.822 76 A HN 0.398 nan 8.150 nan 0.000 0.447 77 I N -0.520 119.876 120.570 -0.289 0.000 2.127 77 I HA -0.290 3.880 4.170 0.000 0.000 0.241 77 I C 2.474 178.494 176.117 -0.161 0.000 1.075 77 I CA 1.349 62.393 61.300 -0.427 0.000 1.334 77 I CB -0.341 37.423 38.000 -0.393 0.000 1.040 77 I HN 0.323 nan 8.210 nan 0.000 0.405 78 L N 0.363 121.523 121.223 -0.105 0.000 2.013 78 L HA -0.268 4.072 4.340 0.000 0.000 0.212 78 L C 2.792 179.632 176.870 -0.049 0.000 1.073 78 L CA 1.589 56.391 54.840 -0.062 0.000 0.753 78 L CB -0.713 41.314 42.059 -0.053 0.000 0.890 78 L HN 0.283 nan 8.230 nan 0.000 0.432 79 A N -1.260 121.529 122.820 -0.051 0.000 1.930 79 A HA -0.219 4.101 4.320 0.000 0.000 0.217 79 A C 2.519 180.099 177.584 -0.008 0.000 1.175 79 A CA 1.960 53.979 52.037 -0.031 0.000 0.627 79 A CB -0.601 18.379 19.000 -0.033 0.000 0.815 79 A HN 0.405 nan 8.150 nan 0.000 0.443 80 S N -0.224 115.480 115.700 0.006 0.000 2.345 80 S HA -0.111 4.359 4.470 0.000 0.000 0.220 80 S C 1.942 176.598 174.600 0.093 0.000 1.031 80 S CA 1.380 59.631 58.200 0.085 0.000 0.996 80 S CB -0.520 62.792 63.200 0.187 0.000 0.882 80 S HN 0.477 nan 8.310 nan 0.000 0.445 81 I N 1.591 122.205 120.570 0.074 0.000 2.208 81 I HA -0.146 4.024 4.170 0.000 0.000 0.245 81 I C 2.882 178.950 176.117 -0.082 0.000 1.097 81 I CA 1.614 62.868 61.300 -0.077 0.000 1.363 81 I CB -0.444 37.416 38.000 -0.233 0.000 1.051 81 I HN 0.413 nan 8.210 nan 0.000 0.413 82 E N 1.293 121.462 120.200 -0.051 0.000 2.106 82 E HA -0.230 4.120 4.350 0.000 0.000 0.192 82 E C 1.894 178.484 176.600 -0.016 0.000 0.984 82 E CA 1.289 57.665 56.400 -0.039 0.000 0.806 82 E CB 0.038 29.719 29.700 -0.032 0.000 0.750 82 E HN 0.522 nan 8.360 nan 0.000 0.458 83 E N 0.017 120.217 120.200 -0.000 0.000 2.265 83 E HA -0.151 4.200 4.350 0.000 0.000 0.196 83 E C 1.267 177.878 176.600 0.018 0.000 0.996 83 E CA 0.665 57.072 56.400 0.011 0.000 0.832 83 E CB 0.067 29.779 29.700 0.021 0.000 0.756 83 E HN 0.325 nan 8.360 nan 0.000 0.491 84 Q N -0.486 119.326 119.800 0.020 0.000 2.212 84 Q HA 0.160 4.500 4.340 0.000 0.000 0.213 84 Q C 0.571 176.584 176.000 0.023 0.000 0.874 84 Q CA 0.204 56.027 55.803 0.034 0.000 0.965 84 Q CB 0.912 29.690 28.738 0.067 0.000 1.074 84 Q HN 0.270 nan 8.270 nan 0.000 0.473 85 G N 2.051 110.855 108.800 0.006 0.000 2.379 85 G HA2 -0.284 3.676 3.960 0.000 0.000 0.297 85 G HA3 -0.284 3.676 3.960 0.000 0.000 0.297 85 G C 0.686 175.586 174.900 0.001 0.000 1.004 85 G CA 0.558 45.660 45.100 0.003 0.000 0.921 85 G HN 0.152 nan 8.290 nan 0.000 0.511 86 K N -1.147 119.235 120.400 -0.030 0.000 2.483 86 K HA 0.233 4.553 4.320 0.000 0.000 0.206 86 K C 0.638 177.165 176.600 -0.121 0.000 1.086 86 K CA -0.495 55.765 56.287 -0.044 0.000 1.052 86 K CB 0.534 33.025 32.500 -0.015 0.000 0.904 86 K HN 0.356 nan 8.250 nan 0.000 0.557 87 L N 3.316 124.477 121.223 -0.104 0.000 2.375 87 L HA 0.124 4.464 4.340 0.000 0.000 0.276 87 L C 0.113 176.952 176.870 -0.052 0.000 1.162 87 L CA 0.107 54.883 54.840 -0.106 0.000 0.991 87 L CB -0.303 41.704 42.059 -0.086 0.000 1.315 87 L HN 0.135 nan 8.230 nan 0.000 0.431 88 T N 1.919 116.450 114.554 -0.037 0.000 2.918 88 T HA 0.268 4.618 4.350 0.000 0.000 0.302 88 T C -1.648 173.048 174.700 -0.006 0.000 1.045 88 T CA -1.337 60.759 62.100 -0.007 0.000 1.114 88 T CB 0.798 69.675 68.868 0.015 0.000 0.965 88 T HN 0.368 nan 8.240 nan 0.000 0.540 89 P HA -0.050 nan 4.420 nan 0.000 0.219 89 P C 1.122 178.427 177.300 0.007 0.000 1.146 89 P CA 0.898 63.999 63.100 0.001 0.000 0.808 89 P CB 0.098 31.801 31.700 0.004 0.000 0.779 90 E N -1.045 119.163 120.200 0.014 0.000 2.072 90 E HA -0.112 4.239 4.350 0.000 0.000 0.190 90 E C 1.789 178.404 176.600 0.024 0.000 0.982 90 E CA 0.595 57.008 56.400 0.021 0.000 0.803 90 E CB -1.079 28.637 29.700 0.028 0.000 0.755 90 E HN 0.092 nan 8.360 nan 0.000 0.453 91 L N 0.792 122.029 121.223 0.023 0.000 1.994 91 L HA -0.054 4.286 4.340 0.000 0.000 0.208 91 L C 2.097 178.973 176.870 0.010 0.000 1.071 91 L CA 2.138 56.993 54.840 0.024 0.000 0.745 91 L CB -1.053 41.007 42.059 0.001 0.000 0.892 91 L HN 0.125 nan 8.230 nan 0.000 0.431 92 A N -0.639 122.177 122.820 -0.007 0.000 1.986 92 A HA -0.292 4.029 4.320 0.000 0.000 0.220 92 A C 2.412 179.996 177.584 0.001 0.000 1.171 92 A CA 1.980 54.011 52.037 -0.010 0.000 0.640 92 A CB -0.611 18.380 19.000 -0.015 0.000 0.811 92 A HN 0.493 nan 8.150 nan 0.000 0.451 93 R N 0.279 120.784 120.500 0.007 0.000 2.062 93 R HA -0.092 4.248 4.340 0.000 0.000 0.231 93 R C 1.485 177.795 176.300 0.017 0.000 1.136 93 R CA 1.977 58.084 56.100 0.011 0.000 0.948 93 R CB -0.687 29.620 30.300 0.013 0.000 0.845 93 R HN 0.431 nan 8.270 nan 0.000 0.430 94 D N 0.083 120.497 120.400 0.025 0.000 2.182 94 D HA -0.130 4.510 4.640 0.000 0.000 0.201 94 D C 1.895 178.215 176.300 0.034 0.000 0.986 94 D CA 1.429 55.449 54.000 0.033 0.000 0.847 94 D CB -0.082 40.745 40.800 0.045 0.000 0.942 94 D HN 0.338 nan 8.370 nan 0.000 0.467 95 I N 0.491 121.079 120.570 0.029 0.000 2.252 95 I HA -0.247 3.923 4.170 0.000 0.000 0.245 95 I C 2.313 178.437 176.117 0.011 0.000 1.102 95 I CA 0.789 62.103 61.300 0.024 0.000 1.385 95 I CB -0.160 37.848 38.000 0.013 0.000 1.064 95 I HN -0.093 nan 8.210 nan 0.000 0.414 96 K N 1.834 122.238 120.400 0.007 0.000 2.063 96 K HA -0.132 4.188 4.320 0.000 0.000 0.208 96 K C 1.820 178.426 176.600 0.010 0.000 1.048 96 K CA 1.779 58.068 56.287 0.004 0.000 0.928 96 K CB -0.533 31.969 32.500 0.003 0.000 0.713 96 K HN 0.299 nan 8.250 nan 0.000 0.442 97 L N 0.309 121.541 121.223 0.016 0.000 2.478 97 L HA 0.187 4.527 4.340 0.000 0.000 0.223 97 L C 0.691 177.577 176.870 0.026 0.000 1.140 97 L CA 0.002 54.854 54.840 0.020 0.000 0.842 97 L CB -0.498 41.574 42.059 0.021 0.000 0.953 97 L HN 0.087 nan 8.230 nan 0.000 0.452 98 A N 1.288 124.125 122.820 0.027 0.000 2.488 98 A HA 0.135 4.455 4.320 0.000 0.000 0.249 98 A C 0.424 178.029 177.584 0.035 0.000 1.083 98 A CA 0.125 52.183 52.037 0.035 0.000 0.768 98 A CB 0.042 19.064 19.000 0.037 0.000 1.017 98 A HN 0.435 nan 8.150 nan 0.000 0.496 99 D N 0.285 120.714 120.400 0.049 0.000 2.500 99 D HA 0.096 4.736 4.640 0.000 0.000 0.218 99 D C 0.487 176.849 176.300 0.104 0.000 1.140 99 D CA 0.713 54.752 54.000 0.065 0.000 0.830 99 D CB -0.140 40.699 40.800 0.064 0.000 1.055 99 D HN 0.499 nan 8.370 nan 0.000 0.512 100 T N -2.755 111.858 114.554 0.098 0.000 2.918 100 T HA 0.343 4.693 4.350 0.000 0.000 0.286 100 T C 0.788 175.547 174.700 0.098 0.000 1.026 100 T CA -0.915 61.267 62.100 0.136 0.000 1.031 100 T CB 2.855 71.793 68.868 0.117 0.000 1.046 100 T HN -0.075 nan 8.240 nan 0.000 0.479 101 K N 0.653 121.119 120.400 0.111 0.000 2.148 101 K HA -0.107 4.213 4.320 0.000 0.000 0.204 101 K C 1.892 178.536 176.600 0.074 0.000 1.050 101 K CA 1.422 57.742 56.287 0.054 0.000 0.942 101 K CB -0.630 31.897 32.500 0.045 0.000 0.724 101 K HN 0.710 nan 8.250 nan 0.000 0.446 102 T N 0.695 115.307 114.554 0.096 0.000 2.788 102 T HA -0.150 4.200 4.350 0.000 0.000 0.268 102 T C 1.757 176.518 174.700 0.102 0.000 1.044 102 T CA 1.537 63.699 62.100 0.103 0.000 1.139 102 T CB -0.212 68.719 68.868 0.104 0.000 0.867 102 T HN 0.253 nan 8.240 nan 0.000 0.454 103 R N 1.078 121.631 120.500 0.088 0.000 2.092 103 R HA 0.126 4.466 4.340 0.000 0.000 0.231 103 R C 2.206 178.559 176.300 0.089 0.000 1.119 103 R CA 1.205 57.354 56.100 0.083 0.000 0.970 103 R CB -1.002 29.339 30.300 0.069 0.000 0.864 103 R HN 0.380 nan 8.270 nan 0.000 0.440 104 L N 0.253 121.522 121.223 0.077 0.000 1.994 104 L HA -0.171 4.169 4.340 0.000 0.000 0.208 104 L C 2.230 179.173 176.870 0.122 0.000 1.071 104 L CA 1.590 56.473 54.840 0.072 0.000 0.745 104 L CB -0.401 41.672 42.059 0.024 0.000 0.892 104 L HN 0.284 nan 8.230 nan 0.000 0.431 105 E N 0.095 120.370 120.200 0.124 0.000 2.047 105 E HA -0.228 4.122 4.350 0.000 0.000 0.191 105 E C 1.624 178.352 176.600 0.214 0.000 0.987 105 E CA 1.522 58.029 56.400 0.178 0.000 0.799 105 E CB -0.429 29.352 29.700 0.134 0.000 0.752 105 E HN 0.634 nan 8.360 nan 0.000 0.449 106 D N 0.446 120.952 120.400 0.176 0.000 2.348 106 D HA -0.115 4.525 4.640 0.000 0.000 0.216 106 D C 1.893 178.284 176.300 0.152 0.000 0.970 106 D CA 0.395 54.495 54.000 0.167 0.000 0.889 106 D CB -0.387 40.497 40.800 0.140 0.000 0.912 106 D HN 0.177 nan 8.370 nan 0.000 0.524 107 L N -1.034 120.293 121.223 0.173 0.000 2.270 107 L HA -0.007 4.333 4.340 0.000 0.000 0.210 107 L C 1.918 178.969 176.870 0.302 0.000 1.104 107 L CA 0.418 55.376 54.840 0.196 0.000 0.804 107 L CB -0.289 41.870 42.059 0.165 0.000 0.937 107 L HN 0.008 nan 8.230 nan 0.000 0.450 108 Y N -0.130 120.269 120.300 0.165 0.000 2.544 108 Y HA -0.022 4.529 4.550 0.000 0.000 0.286 108 Y C 2.040 178.063 175.900 0.204 0.000 1.141 108 Y CA 0.393 58.626 58.100 0.221 0.000 1.299 108 Y CB 0.001 38.539 38.460 0.131 0.000 1.030 108 Y HN 0.017 nan 8.280 nan 0.000 0.543 109 L N 0.788 122.036 121.223 0.042 0.000 2.021 109 L HA -0.220 4.120 4.340 0.000 0.000 0.215 109 L C -0.464 176.246 176.870 -0.266 0.000 1.074 109 L CA 1.773 56.562 54.840 -0.085 0.000 0.760 109 L CB -1.536 40.535 42.059 0.020 0.000 0.889 109 L HN 0.189 nan 8.230 nan 0.000 0.433 110 P HA -0.140 nan 4.420 nan 0.000 0.231 110 P C 0.171 176.934 177.300 -0.895 0.000 1.158 110 P CA 1.380 64.069 63.100 -0.685 0.000 0.763 110 P CB -0.050 31.084 31.700 -0.944 0.000 0.805 111 Y N -2.246 117.854 120.300 -0.334 0.000 2.527 111 Y HA 0.254 4.804 4.550 0.000 0.000 0.247 111 Y C 1.066 176.585 175.900 -0.635 0.000 1.138 111 Y CA -0.654 57.212 58.100 -0.390 0.000 1.228 111 Y CB 0.293 38.579 38.460 -0.290 0.000 1.252 111 Y HN -0.256 nan 8.280 nan 0.000 0.531 112 K N 3.099 123.108 120.400 -0.652 0.000 2.368 112 K HA 0.081 4.401 4.320 0.000 0.000 0.282 112 K C 0.013 176.522 176.600 -0.152 0.000 1.035 112 K CA -0.237 55.807 56.287 -0.405 0.000 0.973 112 K CB 0.697 33.056 32.500 -0.235 0.000 0.957 112 K HN 0.361 nan 8.250 nan 0.000 0.474 113 Q N 3.217 122.989 119.800 -0.046 0.000 2.260 113 Q HA 0.322 4.662 4.340 0.000 0.000 0.238 113 Q C -0.991 174.997 176.000 -0.020 0.000 0.948 113 Q CA -0.473 55.316 55.803 -0.024 0.000 0.895 113 Q CB 1.557 30.300 28.738 0.010 0.000 1.218 113 Q HN 0.502 nan 8.270 nan 0.000 0.470 114 K N 0.182 120.568 120.400 -0.024 0.000 2.615 114 K HA 0.442 4.762 4.320 0.000 0.000 0.291 114 K C -1.184 175.404 176.600 -0.021 0.000 1.017 114 K CA -0.775 55.500 56.287 -0.021 0.000 0.882 114 K CB 1.782 34.265 32.500 -0.029 0.000 1.522 114 K HN 0.768 nan 8.250 nan 0.000 0.412 115 R N 0.703 121.191 120.500 -0.020 0.000 2.981 115 R HA 0.482 4.822 4.340 0.000 0.000 0.228 115 R C -0.340 175.943 176.300 -0.028 0.000 1.421 115 R CA -0.890 55.197 56.100 -0.021 0.000 1.073 115 R CB 0.478 30.769 30.300 -0.015 0.000 1.568 115 R HN 0.648 nan 8.270 nan 0.000 0.514 116 R N 0.275 120.759 120.500 -0.028 0.000 3.610 116 R HA -0.152 4.188 4.340 0.000 0.000 0.274 116 R C -0.115 176.154 176.300 -0.052 0.000 1.123 116 R CA 1.256 57.336 56.100 -0.034 0.000 0.747 116 R CB -2.325 27.957 30.300 -0.031 0.000 1.149 116 R HN 0.881 nan 8.270 nan 0.000 0.471 117 T N -2.759 111.761 114.554 -0.057 0.000 2.882 117 T HA 0.276 4.626 4.350 0.000 0.000 0.287 117 T C 1.572 176.203 174.700 -0.116 0.000 1.014 117 T CA -0.896 61.152 62.100 -0.086 0.000 1.049 117 T CB 1.641 70.469 68.868 -0.067 0.000 1.001 117 T HN -0.072 nan 8.240 nan 0.000 0.525 118 K N 1.756 122.017 120.400 -0.231 0.000 2.052 118 K HA -0.158 4.162 4.320 0.000 0.000 0.215 118 K C 2.458 178.994 176.600 -0.106 0.000 1.053 118 K CA 2.097 58.203 56.287 -0.302 0.000 0.934 118 K CB -1.391 30.543 32.500 -0.943 0.000 0.717 118 K HN 0.881 nan 8.250 nan 0.000 0.450 119 G N 1.695 110.455 108.800 -0.066 0.000 2.440 119 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 119 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 119 G C 1.534 176.421 174.900 -0.021 0.000 1.154 119 G CA 0.599 45.702 45.100 0.004 0.000 0.767 119 G HN 0.267 nan 8.290 nan 0.000 0.552 120 Q N 0.195 119.977 119.800 -0.031 0.000 2.084 120 Q HA 0.016 4.356 4.340 0.000 0.000 0.202 120 Q C 2.728 178.727 176.000 -0.002 0.000 0.978 120 Q CA 0.759 56.546 55.803 -0.026 0.000 0.844 120 Q CB -0.336 28.384 28.738 -0.030 0.000 0.898 120 Q HN 0.603 nan 8.270 nan 0.000 0.426 121 I N 0.579 121.162 120.570 0.021 0.000 2.113 121 I HA -0.274 3.896 4.170 0.000 0.000 0.238 121 I C 2.355 178.557 176.117 0.142 0.000 1.070 121 I CA 1.110 62.459 61.300 0.081 0.000 1.332 121 I CB -0.561 37.492 38.000 0.087 0.000 1.044 121 I HN 0.070 nan 8.210 nan 0.000 0.402 122 A N 0.880 123.790 122.820 0.150 0.000 1.927 122 A HA -0.234 4.086 4.320 0.000 0.000 0.220 122 A C 2.335 179.838 177.584 -0.134 0.000 1.185 122 A CA 1.772 53.786 52.037 -0.039 0.000 0.639 122 A CB -1.024 17.934 19.000 -0.069 0.000 0.820 122 A HN 0.413 nan 8.150 nan 0.000 0.451 123 L N -0.929 120.249 121.223 -0.075 0.000 2.017 123 L HA -0.214 4.126 4.340 0.000 0.000 0.208 123 L C 2.638 179.474 176.870 -0.056 0.000 1.073 123 L CA 1.827 56.616 54.840 -0.086 0.000 0.745 123 L CB -0.554 41.465 42.059 -0.066 0.000 0.894 123 L HN 0.486 nan 8.230 nan 0.000 0.432 124 E N -0.136 120.055 120.200 -0.015 0.000 2.204 124 E HA -0.204 4.146 4.350 0.000 0.000 0.195 124 E C 1.972 178.584 176.600 0.019 0.000 0.990 124 E CA 0.984 57.388 56.400 0.007 0.000 0.821 124 E CB -0.146 29.569 29.700 0.026 0.000 0.750 124 E HN 0.501 nan 8.360 nan 0.000 0.477 125 A N 0.267 123.099 122.820 0.020 0.000 2.235 125 A HA 0.219 4.539 4.320 0.000 0.000 0.208 125 A C 1.737 179.293 177.584 -0.047 0.000 1.172 125 A CA 0.830 52.882 52.037 0.026 0.000 0.786 125 A CB -0.257 18.780 19.000 0.061 0.000 0.804 125 A HN 0.336 nan 8.150 nan 0.000 0.479 126 G N -1.922 106.831 108.800 -0.080 0.000 2.141 126 G HA2 -0.195 3.765 3.960 0.000 0.000 0.231 126 G HA3 -0.195 3.765 3.960 0.000 0.000 0.231 126 G C 0.423 175.179 174.900 -0.239 0.000 0.984 126 G CA 0.335 45.389 45.100 -0.077 0.000 0.660 126 G HN 0.362 nan 8.290 nan 0.000 0.525 127 L N 1.440 122.446 121.223 -0.362 0.000 2.610 127 L HA 0.299 4.640 4.340 0.000 0.000 0.232 127 L C 2.661 179.250 176.870 -0.468 0.000 1.149 127 L CA 1.754 56.243 54.840 -0.585 0.000 0.872 127 L CB -0.630 41.087 42.059 -0.570 0.000 0.992 127 L HN 0.325 nan 8.230 nan 0.000 0.447 128 G N -0.649 107.971 108.800 -0.299 0.000 2.418 128 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 128 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 128 G C 1.744 176.524 174.900 -0.199 0.000 1.158 128 G CA 0.727 45.701 45.100 -0.209 0.000 0.771 128 G HN 0.459 nan 8.290 nan 0.000 0.545 129 A N 0.276 122.972 122.820 -0.207 0.000 1.978 129 A HA 0.044 4.364 4.320 0.000 0.000 0.220 129 A C 2.325 179.811 177.584 -0.162 0.000 1.170 129 A CA 1.692 53.666 52.037 -0.104 0.000 0.636 129 A CB -0.348 18.685 19.000 0.055 0.000 0.810 129 A HN 0.429 nan 8.150 nan 0.000 0.448 130 L N -0.385 120.536 121.223 -0.503 0.000 2.023 130 L HA 0.043 4.383 4.340 0.000 0.000 0.205 130 L C 2.706 179.457 176.870 -0.198 0.000 1.073 130 L CA 2.109 56.694 54.840 -0.426 0.000 0.745 130 L CB -1.042 40.527 42.059 -0.816 0.000 0.900 130 L HN 0.331 nan 8.230 nan 0.000 0.435 131 A N -0.356 122.355 122.820 -0.182 0.000 1.873 131 A HA -0.287 4.033 4.320 0.000 0.000 0.218 131 A C 2.013 179.619 177.584 0.037 0.000 1.193 131 A CA 2.243 54.262 52.037 -0.030 0.000 0.629 131 A CB -1.117 17.821 19.000 -0.104 0.000 0.826 131 A HN 0.578 nan 8.150 nan 0.000 0.447 132 D N -0.096 120.298 120.400 -0.010 0.000 2.117 132 D HA -0.064 4.576 4.640 0.000 0.000 0.197 132 D C 2.227 178.609 176.300 0.136 0.000 0.987 132 D CA 1.600 55.639 54.000 0.065 0.000 0.829 132 D CB -0.559 40.255 40.800 0.023 0.000 0.961 132 D HN 0.460 nan 8.370 nan 0.000 0.460 133 A N 0.736 123.601 122.820 0.074 0.000 1.902 133 A HA -0.106 4.215 4.320 0.000 0.000 0.217 133 A C 2.410 180.045 177.584 0.085 0.000 1.181 133 A CA 0.887 52.969 52.037 0.075 0.000 0.623 133 A CB -0.733 18.303 19.000 0.060 0.000 0.818 133 A HN 0.191 nan 8.150 nan 0.000 0.443 134 L N -2.267 119.007 121.223 0.085 0.000 2.093 134 L HA -0.110 4.230 4.340 0.000 0.000 0.208 134 L C 2.493 179.488 176.870 0.208 0.000 1.085 134 L CA 1.430 56.333 54.840 0.105 0.000 0.755 134 L CB -0.520 41.568 42.059 0.048 0.000 0.904 134 L HN 0.513 nan 8.230 nan 0.000 0.435 135 F N 1.485 121.510 119.950 0.124 0.000 2.113 135 F HA -0.235 4.292 4.527 0.000 0.000 0.297 135 F C 2.176 178.035 175.800 0.099 0.000 1.103 135 F CA 1.752 59.831 58.000 0.130 0.000 1.248 135 F CB -0.163 38.902 39.000 0.109 0.000 0.999 135 F HN 0.097 nan 8.300 nan 0.000 0.475 136 D N -0.524 120.002 120.400 0.210 0.000 2.218 136 D HA -0.105 4.536 4.640 0.000 0.000 0.204 136 D C 0.173 176.473 176.300 -0.000 0.000 0.976 136 D CA 1.385 55.440 54.000 0.091 0.000 0.853 136 D CB -0.228 40.655 40.800 0.138 0.000 0.939 136 D HN 0.254 nan 8.370 nan 0.000 0.481 137 D N -1.701 118.707 120.400 0.015 0.000 2.323 137 D HA 0.165 4.805 4.640 0.000 0.000 0.242 137 D C -2.279 174.025 176.300 0.006 0.000 1.347 137 D CA -1.797 52.203 54.000 0.000 0.000 0.988 137 D CB 1.736 42.543 40.800 0.012 0.000 1.314 137 D HN -0.213 nan 8.370 nan 0.000 0.564 138 P HA -0.018 nan 4.420 nan 0.000 0.230 138 P C 1.203 178.510 177.300 0.012 0.000 1.158 138 P CA 0.829 63.938 63.100 0.015 0.000 0.769 138 P CB 0.166 31.865 31.700 -0.002 0.000 0.807 139 T N -3.938 110.616 114.554 0.001 0.000 3.088 139 T HA 0.076 4.426 4.350 0.000 0.000 0.259 139 T C 0.824 175.520 174.700 -0.005 0.000 1.122 139 T CA 0.092 62.191 62.100 -0.001 0.000 1.095 139 T CB -0.779 68.086 68.868 -0.004 0.000 0.930 139 T HN -0.038 nan 8.240 nan 0.000 0.508 140 L N 1.831 123.050 121.223 -0.007 0.000 2.473 140 L HA 0.287 4.627 4.340 0.000 0.000 0.268 140 L C 0.008 176.857 176.870 -0.034 0.000 1.215 140 L CA -0.697 54.131 54.840 -0.020 0.000 0.823 140 L CB 0.615 42.662 42.059 -0.020 0.000 1.099 140 L HN 0.029 nan 8.230 nan 0.000 0.483 141 V N 3.501 123.386 119.914 -0.047 0.000 2.364 141 V HA 0.128 4.249 4.120 0.000 0.000 0.272 141 V C -1.526 174.501 176.094 -0.112 0.000 1.036 141 V CA -1.151 61.110 62.300 -0.065 0.000 0.880 141 V CB 1.123 32.916 31.823 -0.050 0.000 0.991 141 V HN 0.647 nan 8.190 nan 0.000 0.460 142 P HA -0.126 nan 4.420 nan 0.000 0.213 142 P C 1.394 178.548 177.300 -0.244 0.000 1.170 142 P CA 1.108 64.011 63.100 -0.329 0.000 0.898 142 P CB 0.387 31.772 31.700 -0.525 0.000 0.787 143 E N -0.318 119.773 120.200 -0.181 0.000 2.086 143 E HA -0.175 4.175 4.350 0.000 0.000 0.200 143 E C 2.126 178.676 176.600 -0.083 0.000 1.012 143 E CA 1.910 58.241 56.400 -0.115 0.000 0.812 143 E CB -1.185 28.469 29.700 -0.077 0.000 0.743 143 E HN 0.182 nan 8.360 nan 0.000 0.453 144 S N 0.643 116.298 115.700 -0.076 0.000 2.359 144 S HA -0.159 4.311 4.470 0.000 0.000 0.224 144 S C 1.701 176.264 174.600 -0.063 0.000 1.035 144 S CA 1.218 59.381 58.200 -0.062 0.000 1.018 144 S CB -0.259 62.908 63.200 -0.055 0.000 0.876 144 S HN 0.219 nan 8.310 nan 0.000 0.448 145 E N 1.584 121.749 120.200 -0.059 0.000 2.150 145 E HA 0.057 4.408 4.350 0.000 0.000 0.193 145 E C 2.160 178.801 176.600 0.069 0.000 0.985 145 E CA 0.925 57.317 56.400 -0.013 0.000 0.814 145 E CB -0.506 29.191 29.700 -0.006 0.000 0.752 145 E HN 0.521 nan 8.360 nan 0.000 0.466 146 A N 1.191 124.022 122.820 0.019 0.000 2.066 146 A HA 0.096 4.416 4.320 0.000 0.000 0.218 146 A C 2.353 179.977 177.584 0.066 0.000 1.157 146 A CA 1.300 53.389 52.037 0.086 0.000 0.670 146 A CB -0.303 18.657 19.000 -0.067 0.000 0.804 146 A HN 0.231 nan 8.150 nan 0.000 0.453 147 A N 0.510 123.317 122.820 -0.022 0.000 1.883 147 A HA -0.208 4.113 4.320 0.000 0.000 0.217 147 A C 2.204 179.729 177.584 -0.098 0.000 1.186 147 A CA 1.764 53.773 52.037 -0.048 0.000 0.624 147 A CB -0.523 18.440 19.000 -0.061 0.000 0.822 147 A HN 0.574 nan 8.150 nan 0.000 0.444 148 R N -1.531 118.836 120.500 -0.223 0.000 2.241 148 R HA -0.087 4.253 4.340 0.000 0.000 0.224 148 R C 0.753 176.770 176.300 -0.472 0.000 1.101 148 R CA 1.514 57.372 56.100 -0.402 0.000 0.995 148 R CB -0.332 29.609 30.300 -0.598 0.000 0.870 148 R HN 0.516 nan 8.270 nan 0.000 0.463 149 F N 0.004 119.915 119.950 -0.064 0.000 2.695 149 F HA 0.204 4.731 4.527 0.000 0.000 0.303 149 F C 0.339 176.112 175.800 -0.045 0.000 1.091 149 F CA -0.685 57.271 58.000 -0.074 0.000 1.300 149 F CB 0.677 39.602 39.000 -0.125 0.000 1.071 149 F HN -0.254 nan 8.300 nan 0.000 0.578 150 V N 1.915 121.890 119.914 0.101 0.000 2.617 150 V HA -0.145 3.975 4.120 0.000 0.000 0.304 150 V C 0.258 176.414 176.094 0.104 0.000 1.040 150 V CA 0.956 63.318 62.300 0.103 0.000 1.149 150 V CB 0.421 32.279 31.823 0.059 0.000 0.914 150 V HN 0.212 nan 8.190 nan 0.000 0.487 151 D N 2.871 123.362 120.400 0.151 0.000 2.527 151 D HA 0.377 5.017 4.640 0.000 0.000 0.224 151 D C 0.839 177.209 176.300 0.117 0.000 1.217 151 D CA 0.667 54.755 54.000 0.147 0.000 0.819 151 D CB 0.574 41.502 40.800 0.213 0.000 1.061 151 D HN 0.892 nan 8.370 nan 0.000 0.515 152 A N 1.706 124.581 122.820 0.091 0.000 1.936 152 A HA -0.257 4.063 4.320 0.000 0.000 0.254 152 A C 0.683 178.293 177.584 0.043 0.000 1.352 152 A CA 1.006 53.075 52.037 0.053 0.000 0.724 152 A CB -2.049 16.974 19.000 0.038 0.000 1.196 152 A HN 0.353 nan 8.150 nan 0.000 0.283 153 E N -1.031 119.184 120.200 0.024 0.000 2.494 153 E HA -0.308 4.043 4.350 0.000 0.000 0.249 153 E C 0.764 177.370 176.600 0.009 0.000 1.184 153 E CA 1.273 57.669 56.400 -0.007 0.000 0.727 153 E CB -0.784 28.910 29.700 -0.010 0.000 1.281 153 E HN 0.823 nan 8.360 nan 0.000 0.405 154 K N -0.613 119.823 120.400 0.060 0.000 2.458 154 K HA 0.075 4.395 4.320 0.000 0.000 0.194 154 K C 1.320 177.952 176.600 0.054 0.000 1.024 154 K CA 0.718 57.066 56.287 0.101 0.000 1.108 154 K CB 0.271 32.880 32.500 0.182 0.000 0.846 154 K HN 0.385 nan 8.250 nan 0.000 0.518 155 G N 0.146 108.873 108.800 -0.122 0.000 2.253 155 G HA2 -0.181 3.779 3.960 0.000 0.000 0.209 155 G HA3 -0.181 3.779 3.960 0.000 0.000 0.209 155 G C -0.233 174.212 174.900 -0.758 0.000 0.997 155 G CA -0.504 44.288 45.100 -0.514 0.000 0.640 155 G HN 0.172 nan 8.290 nan 0.000 0.496 156 F N 0.542 120.502 119.950 0.016 0.000 2.496 156 F HA 0.741 5.269 4.527 0.000 0.000 0.341 156 F C 0.578 176.391 175.800 0.023 0.000 1.134 156 F CA -0.180 57.833 58.000 0.022 0.000 0.968 156 F CB 2.242 41.259 39.000 0.028 0.000 1.205 156 F HN 0.232 nan 8.300 nan 0.000 0.436 157 A N 1.387 124.290 122.820 0.139 0.000 2.628 157 A HA 0.341 4.661 4.320 0.000 0.000 0.267 157 A C -0.574 177.053 177.584 0.073 0.000 1.159 157 A CA -0.032 52.056 52.037 0.084 0.000 0.972 157 A CB 0.189 19.212 19.000 0.037 0.000 1.211 157 A HN 0.557 nan 8.150 nan 0.000 0.576 158 D N -1.659 118.798 120.400 0.096 0.000 2.753 158 D HA 0.333 4.973 4.640 0.000 0.000 0.224 158 D C 0.959 177.306 176.300 0.078 0.000 1.213 158 D CA -0.322 53.720 54.000 0.069 0.000 0.833 158 D CB 2.061 42.895 40.800 0.057 0.000 1.607 158 D HN -0.189 nan 8.370 nan 0.000 0.463 159 V N 3.069 123.009 119.914 0.044 0.000 2.392 159 V HA -0.205 3.915 4.120 0.000 0.000 0.249 159 V C 2.431 178.537 176.094 0.019 0.000 1.059 159 V CA 2.008 64.321 62.300 0.021 0.000 1.051 159 V CB -0.334 31.485 31.823 -0.008 0.000 0.658 159 V HN 0.596 nan 8.190 nan 0.000 0.455 160 K N -0.365 120.056 120.400 0.035 0.000 2.057 160 K HA -0.148 4.172 4.320 0.000 0.000 0.207 160 K C 2.243 178.894 176.600 0.086 0.000 1.049 160 K CA 1.412 57.726 56.287 0.045 0.000 0.931 160 K CB -0.311 32.217 32.500 0.046 0.000 0.714 160 K HN 0.461 nan 8.250 nan 0.000 0.440 161 A N 0.526 123.420 122.820 0.123 0.000 1.902 161 A HA -0.127 4.194 4.320 0.000 0.000 0.217 161 A C 2.225 179.993 177.584 0.307 0.000 1.181 161 A CA 1.539 53.703 52.037 0.213 0.000 0.623 161 A CB -0.672 18.457 19.000 0.215 0.000 0.818 161 A HN 0.159 nan 8.150 nan 0.000 0.443 162 V N -0.010 120.024 119.914 0.199 0.000 2.332 162 V HA -0.257 3.863 4.120 0.000 0.000 0.248 162 V C 2.532 178.602 176.094 -0.041 0.000 1.055 162 V CA 2.083 64.395 62.300 0.021 0.000 1.038 162 V CB -0.625 31.200 31.823 0.003 0.000 0.651 162 V HN 0.580 nan 8.190 nan 0.000 0.450 163 L N -0.499 120.721 121.223 -0.006 0.000 2.217 163 L HA -0.113 4.228 4.340 0.000 0.000 0.211 163 L C 2.489 179.488 176.870 0.214 0.000 1.107 163 L CA 1.128 55.976 54.840 0.013 0.000 0.783 163 L CB -0.449 41.539 42.059 -0.118 0.000 0.919 163 L HN 0.355 nan 8.230 nan 0.000 0.442 164 E N 0.808 121.091 120.200 0.138 0.000 2.023 164 E HA -0.185 4.165 4.350 0.000 0.000 0.196 164 E C 2.155 178.866 176.600 0.185 0.000 1.003 164 E CA 1.715 58.173 56.400 0.096 0.000 0.809 164 E CB -0.507 29.290 29.700 0.163 0.000 0.755 164 E HN 0.303 nan 8.360 nan 0.000 0.449 165 G N 0.384 109.330 108.800 0.243 0.000 2.553 165 G HA2 -0.339 3.622 3.960 0.000 0.000 0.218 165 G HA3 -0.339 3.622 3.960 0.000 0.000 0.218 165 G C 1.744 176.681 174.900 0.062 0.000 1.195 165 G CA 1.746 46.956 45.100 0.183 0.000 0.779 165 G HN 0.494 nan 8.290 nan 0.000 0.577 166 A N 0.474 123.295 122.820 0.003 0.000 1.978 166 A HA -0.069 4.251 4.320 0.000 0.000 0.220 166 A C 2.239 179.885 177.584 0.104 0.000 1.170 166 A CA 2.234 54.296 52.037 0.042 0.000 0.636 166 A CB -0.425 18.607 19.000 0.054 0.000 0.810 166 A HN 0.416 nan 8.150 nan 0.000 0.448 167 K N -1.287 119.167 120.400 0.089 0.000 2.026 167 K HA -0.184 4.136 4.320 0.000 0.000 0.208 167 K C 1.793 178.180 176.600 -0.356 0.000 1.048 167 K CA 1.794 57.874 56.287 -0.344 0.000 0.929 167 K CB -0.368 31.788 32.500 -0.573 0.000 0.713 167 K HN 0.582 nan 8.250 nan 0.000 0.439 168 Y N 1.065 121.274 120.300 -0.153 0.000 2.224 168 Y HA -0.149 4.401 4.550 0.000 0.000 0.289 168 Y C 2.267 178.072 175.900 -0.158 0.000 1.146 168 Y CA 1.145 59.181 58.100 -0.108 0.000 1.182 168 Y CB -0.060 38.384 38.460 -0.027 0.000 0.983 168 Y HN 0.019 nan 8.280 nan 0.000 0.524 169 I N -0.384 120.175 120.570 -0.020 0.000 2.208 169 I HA -0.352 3.818 4.170 0.000 0.000 0.245 169 I C 1.991 177.941 176.117 -0.279 0.000 1.097 169 I CA 1.449 62.675 61.300 -0.125 0.000 1.363 169 I CB -0.412 37.504 38.000 -0.140 0.000 1.051 169 I HN 0.253 nan 8.210 nan 0.000 0.413 170 L N -0.645 120.323 121.223 -0.425 0.000 2.131 170 L HA -0.152 4.188 4.340 0.000 0.000 0.206 170 L C 2.608 178.885 176.870 -0.989 0.000 1.087 170 L CA 1.025 55.346 54.840 -0.865 0.000 0.767 170 L CB -0.355 41.109 42.059 -0.993 0.000 0.917 170 L HN 0.228 nan 8.230 nan 0.000 0.441 171 M N -0.340 118.935 119.600 -0.541 0.000 2.065 171 M HA -0.248 4.232 4.480 0.000 0.000 0.259 171 M C 2.136 178.362 176.300 -0.122 0.000 1.069 171 M CA 1.910 57.058 55.300 -0.254 0.000 1.110 171 M CB -0.415 32.136 32.600 -0.083 0.000 1.328 171 M HN 0.172 nan 8.290 nan 0.000 0.405 172 E N -0.471 119.672 120.200 -0.096 0.000 2.153 172 E HA -0.219 4.131 4.350 0.000 0.000 0.194 172 E C 2.088 178.641 176.600 -0.078 0.000 0.988 172 E CA 0.933 57.306 56.400 -0.044 0.000 0.811 172 E CB -0.181 29.501 29.700 -0.030 0.000 0.746 172 E HN 0.404 nan 8.360 nan 0.000 0.466 173 R N 0.379 120.769 120.500 -0.182 0.000 2.062 173 R HA -0.065 4.275 4.340 0.000 0.000 0.229 173 R C 2.142 178.455 176.300 0.022 0.000 1.128 173 R CA 1.015 57.021 56.100 -0.157 0.000 0.960 173 R CB -0.148 29.961 30.300 -0.318 0.000 0.855 173 R HN 0.169 nan 8.270 nan 0.000 0.432 174 F N 0.219 120.045 119.950 -0.206 0.000 2.171 174 F HA -0.099 4.428 4.527 0.000 0.000 0.300 174 F C 2.188 178.020 175.800 0.053 0.000 1.090 174 F CA 0.260 58.174 58.000 -0.143 0.000 1.293 174 F CB -0.065 38.813 39.000 -0.203 0.000 1.013 174 F HN 0.227 nan 8.300 nan 0.000 0.486 175 A N 0.337 123.283 122.820 0.210 0.000 2.259 175 A HA -0.066 4.255 4.320 0.000 0.000 0.208 175 A C 1.206 178.854 177.584 0.106 0.000 1.201 175 A CA 0.654 52.782 52.037 0.152 0.000 0.824 175 A CB -0.832 18.244 19.000 0.126 0.000 0.838 175 A HN 0.587 nan 8.150 nan 0.000 0.485 176 E N -0.459 119.798 120.200 0.094 0.000 2.812 176 E HA 0.080 4.430 4.350 0.000 0.000 0.211 176 E C -0.738 175.897 176.600 0.058 0.000 0.986 176 E CA -0.463 55.967 56.400 0.049 0.000 1.119 176 E CB -0.007 29.681 29.700 -0.020 0.000 1.046 176 E HN 0.330 nan 8.360 nan 0.000 0.474 177 D N 1.367 121.835 120.400 0.113 0.000 2.411 177 D HA 0.179 4.819 4.640 0.000 0.000 0.225 177 D C 1.013 177.353 176.300 0.067 0.000 1.156 177 D CA 0.200 54.273 54.000 0.122 0.000 0.874 177 D CB 1.377 42.319 40.800 0.237 0.000 1.034 177 D HN 0.246 nan 8.370 nan 0.000 0.502 178 A N 3.514 126.370 122.820 0.059 0.000 1.903 178 A HA -0.247 4.074 4.320 0.000 0.000 0.219 178 A C 2.070 179.671 177.584 0.028 0.000 1.191 178 A CA 2.109 54.177 52.037 0.052 0.000 0.638 178 A CB -0.653 18.390 19.000 0.072 0.000 0.823 178 A HN 0.640 nan 8.150 nan 0.000 0.451 179 T N -0.197 114.365 114.554 0.013 0.000 2.746 179 T HA -0.137 4.213 4.350 0.000 0.000 0.267 179 T C 1.831 176.509 174.700 -0.037 0.000 1.039 179 T CA 1.481 63.572 62.100 -0.016 0.000 1.142 179 T CB -0.387 68.457 68.868 -0.041 0.000 0.866 179 T HN 0.359 nan 8.240 nan 0.000 0.444 180 L N 0.691 121.884 121.223 -0.049 0.000 2.056 180 L HA 0.139 4.480 4.340 0.000 0.000 0.207 180 L C 2.180 179.040 176.870 -0.016 0.000 1.078 180 L CA 1.449 56.252 54.840 -0.061 0.000 0.749 180 L CB -0.677 41.350 42.059 -0.052 0.000 0.901 180 L HN 0.196 nan 8.230 nan 0.000 0.433 181 L N -0.368 120.850 121.223 -0.009 0.000 2.046 181 L HA -0.240 4.100 4.340 0.000 0.000 0.208 181 L C 2.247 179.115 176.870 -0.004 0.000 1.077 181 L CA 1.775 56.594 54.840 -0.035 0.000 0.747 181 L CB -0.587 41.418 42.059 -0.089 0.000 0.896 181 L HN 0.437 nan 8.230 nan 0.000 0.432 182 D N -0.025 120.381 120.400 0.010 0.000 2.084 182 D HA -0.258 4.382 4.640 0.000 0.000 0.194 182 D C 2.239 178.563 176.300 0.040 0.000 0.990 182 D CA 1.352 55.369 54.000 0.028 0.000 0.826 182 D CB 0.039 40.855 40.800 0.026 0.000 0.971 182 D HN 0.009 nan 8.370 nan 0.000 0.453 183 K N -0.290 120.122 120.400 0.021 0.000 2.152 183 K HA -0.119 4.201 4.320 0.000 0.000 0.206 183 K C 2.202 178.847 176.600 0.075 0.000 1.048 183 K CA 0.802 57.107 56.287 0.029 0.000 0.933 183 K CB -0.088 32.396 32.500 -0.026 0.000 0.721 183 K HN 0.272 nan 8.250 nan 0.000 0.447 184 L N -0.205 121.058 121.223 0.067 0.000 2.072 184 L HA -0.105 4.235 4.340 0.000 0.000 0.205 184 L C 2.745 179.737 176.870 0.203 0.000 1.079 184 L CA 0.927 55.847 54.840 0.133 0.000 0.752 184 L CB -0.331 41.803 42.059 0.125 0.000 0.906 184 L HN 0.181 nan 8.230 nan 0.000 0.436 185 R N -0.269 120.307 120.500 0.127 0.000 2.075 185 R HA -0.129 4.212 4.340 0.000 0.000 0.232 185 R C 2.242 178.613 176.300 0.119 0.000 1.126 185 R CA 1.244 57.411 56.100 0.112 0.000 0.963 185 R CB -0.118 30.223 30.300 0.069 0.000 0.858 185 R HN 0.135 nan 8.270 nan 0.000 0.435 186 V N 0.705 120.687 119.914 0.114 0.000 2.295 186 V HA -0.266 3.854 4.120 0.000 0.000 0.246 186 V C 1.968 178.132 176.094 0.117 0.000 1.049 186 V CA 1.983 64.341 62.300 0.097 0.000 1.024 186 V CB -0.623 31.252 31.823 0.086 0.000 0.648 186 V HN 0.315 nan 8.190 nan 0.000 0.447 187 F N 0.082 120.050 119.950 0.030 0.000 2.095 187 F HA -0.243 4.284 4.527 0.000 0.000 0.298 187 F C 2.435 178.266 175.800 0.052 0.000 1.104 187 F CA 1.964 59.981 58.000 0.028 0.000 1.232 187 F CB -0.236 38.774 39.000 0.017 0.000 0.987 187 F HN 0.022 nan 8.300 nan 0.000 0.475 188 M N 0.328 120.040 119.600 0.187 0.000 2.108 188 M HA -0.219 4.261 4.480 0.000 0.000 0.261 188 M C 2.204 178.497 176.300 -0.013 0.000 1.066 188 M CA 1.710 57.075 55.300 0.108 0.000 1.107 188 M CB -1.270 31.474 32.600 0.238 0.000 1.356 188 M HN 0.129 nan 8.290 nan 0.000 0.406 189 K N 1.195 121.603 120.400 0.013 0.000 2.044 189 K HA -0.143 4.177 4.320 0.000 0.000 0.210 189 K C 1.569 178.136 176.600 -0.056 0.000 1.049 189 K CA 1.715 58.004 56.287 0.003 0.000 0.927 189 K CB -0.403 32.110 32.500 0.021 0.000 0.713 189 K HN 0.316 nan 8.250 nan 0.000 0.443 190 N N 0.101 118.731 118.700 -0.117 0.000 2.216 190 N HA -0.096 4.645 4.740 0.000 0.000 0.183 190 N C 1.415 176.797 175.510 -0.213 0.000 1.017 190 N CA 1.260 54.221 53.050 -0.148 0.000 0.861 190 N CB -0.033 38.366 38.487 -0.147 0.000 0.986 190 N HN 0.267 nan 8.380 nan 0.000 0.428 191 E N 0.515 120.491 120.200 -0.373 0.000 2.206 191 E HA 0.320 4.671 4.350 0.000 0.000 0.195 191 E C 0.295 176.782 176.600 -0.188 0.000 0.935 191 E CA -0.038 56.141 56.400 -0.367 0.000 0.875 191 E CB -0.175 29.099 29.700 -0.711 0.000 0.841 191 E HN 0.253 nan 8.360 nan 0.000 0.477 192 A N 0.976 123.719 122.820 -0.129 0.000 2.547 192 A HA 0.286 4.607 4.320 0.000 0.000 0.233 192 A C 0.517 178.121 177.584 0.032 0.000 1.067 192 A CA 0.792 52.847 52.037 0.030 0.000 0.763 192 A CB -0.174 18.904 19.000 0.130 0.000 1.007 192 A HN 0.186 nan 8.150 nan 0.000 0.506 193 T N 0.475 115.069 114.554 0.066 0.000 2.841 193 T HA 0.504 4.854 4.350 0.000 0.000 0.283 193 T C -0.392 174.363 174.700 0.090 0.000 1.000 193 T CA -0.749 61.381 62.100 0.051 0.000 0.977 193 T CB 0.978 69.858 68.868 0.019 0.000 0.979 193 T HN 1.003 nan 8.240 nan 0.000 0.446 194 L N 3.533 124.801 121.223 0.075 0.000 2.410 194 L HA 0.506 4.846 4.340 0.000 0.000 0.273 194 L C -0.133 176.775 176.870 0.064 0.000 1.152 194 L CA 0.734 55.624 54.840 0.083 0.000 0.855 194 L CB 0.548 42.608 42.059 0.002 0.000 1.129 194 L HN 0.906 nan 8.230 nan 0.000 0.463 195 T N 5.581 120.187 114.554 0.087 0.000 2.815 195 T HA 0.715 5.065 4.350 0.000 0.000 0.289 195 T C -0.349 174.390 174.700 0.065 0.000 1.000 195 T CA -0.249 61.897 62.100 0.077 0.000 0.958 195 T CB 1.205 70.127 68.868 0.090 0.000 0.944 195 T HN 0.829 nan 8.240 nan 0.000 0.442 196 A N 3.907 126.782 122.820 0.092 0.000 2.256 196 A HA 0.816 5.136 4.320 0.000 0.000 0.317 196 A C -0.083 177.580 177.584 0.131 0.000 1.318 196 A CA -0.696 51.397 52.037 0.093 0.000 0.894 196 A CB 0.382 19.469 19.000 0.146 0.000 1.165 196 A HN 0.604 nan 8.150 nan 0.000 0.525 197 R N 1.307 121.853 120.500 0.076 0.000 2.575 197 R HA 0.456 4.797 4.340 0.000 0.000 0.293 197 R C -0.480 175.804 176.300 -0.028 0.000 0.983 197 R CA -0.565 55.566 56.100 0.051 0.000 0.887 197 R CB 1.787 32.103 30.300 0.027 0.000 1.184 197 R HN 0.627 nan 8.270 nan 0.000 0.445 198 V N 4.972 124.808 119.914 -0.130 0.000 2.901 198 V HA 0.130 4.250 4.120 0.000 0.000 0.307 198 V C 0.414 176.366 176.094 -0.236 0.000 1.084 198 V CA -0.011 62.048 62.300 -0.401 0.000 1.184 198 V CB 0.765 31.982 31.823 -1.010 0.000 0.941 198 V HN 0.601 nan 8.190 nan 0.000 0.493 199 V N 4.511 124.298 119.914 -0.212 0.000 3.385 199 V HA 0.524 4.644 4.120 0.000 0.000 0.301 199 V C -2.051 173.972 176.094 -0.119 0.000 1.082 199 V CA -1.557 60.669 62.300 -0.123 0.000 1.085 199 V CB -0.274 31.496 31.823 -0.088 0.000 1.152 199 V HN 0.864 nan 8.190 nan 0.000 0.465 200 P HA 0.334 nan 4.420 nan 0.000 0.270 200 P C 0.949 178.218 177.300 -0.053 0.000 1.227 200 P CA 1.472 64.539 63.100 -0.054 0.000 0.788 200 P CB 0.401 32.081 31.700 -0.034 0.000 0.926 201 G N 0.017 108.795 108.800 -0.037 0.000 2.225 201 G HA2 -0.352 3.608 3.960 0.000 0.000 0.254 201 G HA3 -0.352 3.608 3.960 0.000 0.000 0.254 201 G C 0.401 175.283 174.900 -0.029 0.000 0.988 201 G CA 0.384 45.470 45.100 -0.025 0.000 0.625 201 G HN 0.604 nan 8.290 nan 0.000 0.527 202 K N 0.389 120.751 120.400 -0.063 0.000 2.948 202 K HA -0.233 4.087 4.320 0.000 0.000 0.253 202 K C 0.252 176.829 176.600 -0.039 0.000 0.970 202 K CA 1.229 57.470 56.287 -0.078 0.000 0.716 202 K CB -1.153 31.337 32.500 -0.017 0.000 1.249 202 K HN 0.824 nan 8.250 nan 0.000 0.483 203 E N 1.131 121.304 120.200 -0.045 0.000 2.765 203 E HA -0.167 4.183 4.350 0.000 0.000 0.256 203 E C 0.832 177.495 176.600 0.105 0.000 0.935 203 E CA 0.330 56.744 56.400 0.023 0.000 0.954 203 E CB 0.327 30.039 29.700 0.019 0.000 0.908 203 E HN 0.257 nan 8.360 nan 0.000 0.500 204 Q N 2.559 122.434 119.800 0.125 0.000 2.488 204 Q HA -0.134 4.206 4.340 0.000 0.000 0.211 204 Q C 0.854 176.952 176.000 0.164 0.000 0.967 204 Q CA 0.625 56.529 55.803 0.168 0.000 0.926 204 Q CB 0.131 28.932 28.738 0.106 0.000 0.992 204 Q HN 0.562 nan 8.270 nan 0.000 0.506 205 E N 0.192 120.476 120.200 0.139 0.000 2.333 205 E HA -0.104 4.246 4.350 0.000 0.000 0.198 205 E C 1.237 177.962 176.600 0.209 0.000 1.007 205 E CA 0.754 57.235 56.400 0.135 0.000 0.845 205 E CB -0.018 29.744 29.700 0.104 0.000 0.766 205 E HN 0.302 nan 8.360 nan 0.000 0.507 206 G N 0.500 109.486 108.800 0.311 0.000 3.562 206 G HA2 0.274 4.234 3.960 0.000 0.000 0.279 206 G HA3 0.274 4.234 3.960 0.000 0.000 0.279 206 G C 1.095 176.272 174.900 0.461 0.000 1.314 206 G CA 0.275 45.684 45.100 0.513 0.000 1.189 206 G HN 0.217 nan 8.290 nan 0.000 0.562 207 A N 0.754 123.691 122.820 0.194 0.000 1.972 207 A HA -0.008 4.312 4.320 0.000 0.000 0.219 207 A C 2.136 179.631 177.584 -0.148 0.000 1.169 207 A CA 1.712 53.749 52.037 -0.001 0.000 0.635 207 A CB -0.205 18.787 19.000 -0.012 0.000 0.810 207 A HN 0.406 nan 8.150 nan 0.000 0.446 208 K N -1.341 118.923 120.400 -0.226 0.000 2.152 208 K HA -0.118 4.202 4.320 0.000 0.000 0.206 208 K C 0.167 176.379 176.600 -0.648 0.000 1.048 208 K CA 1.501 57.468 56.287 -0.533 0.000 0.933 208 K CB -0.198 31.799 32.500 -0.837 0.000 0.721 208 K HN 0.534 nan 8.250 nan 0.000 0.447 209 F N 0.042 119.986 119.950 -0.010 0.000 2.684 209 F HA 0.148 4.676 4.527 0.000 0.000 0.298 209 F C 1.612 177.255 175.800 -0.261 0.000 1.120 209 F CA -0.365 57.636 58.000 0.002 0.000 1.332 209 F CB 0.303 39.499 39.000 0.327 0.000 0.986 209 F HN -0.038 nan 8.300 nan 0.000 0.524 210 S N -0.649 114.782 115.700 -0.448 0.000 2.402 210 S HA -0.256 4.214 4.470 0.000 0.000 0.233 210 S C 1.355 175.452 174.600 -0.839 0.000 1.030 210 S CA 1.763 59.325 58.200 -1.063 0.000 1.003 210 S CB -0.403 62.408 63.200 -0.649 0.000 0.813 210 S HN 0.431 nan 8.310 nan 0.000 0.477 211 D N 0.343 120.345 120.400 -0.663 0.000 2.371 211 D HA -0.024 4.617 4.640 0.000 0.000 0.221 211 D C 0.043 176.077 176.300 -0.443 0.000 0.986 211 D CA 0.773 54.409 54.000 -0.606 0.000 0.899 211 D CB -0.180 40.165 40.800 -0.759 0.000 0.902 211 D HN 0.704 nan 8.370 nan 0.000 0.530 212 Y N -0.792 119.537 120.300 0.048 0.000 2.699 212 Y HA 0.176 4.726 4.550 0.000 0.000 0.282 212 Y C 0.898 177.050 175.900 0.419 0.000 1.058 212 Y CA -0.822 57.388 58.100 0.183 0.000 1.194 212 Y CB 0.195 38.733 38.460 0.129 0.000 1.193 212 Y HN -0.219 nan 8.280 nan 0.000 0.562 213 F N 0.807 120.852 119.950 0.158 0.000 2.387 213 F HA 0.089 4.616 4.527 0.000 0.000 0.294 213 F C 1.185 177.048 175.800 0.105 0.000 1.093 213 F CA 0.590 58.657 58.000 0.113 0.000 1.420 213 F CB 0.354 39.398 39.000 0.073 0.000 1.086 213 F HN 0.132 nan 8.300 nan 0.000 0.531 214 E N -0.325 120.062 120.200 0.311 0.000 3.352 214 E HA 0.096 4.446 4.350 0.000 0.000 0.254 214 E C -1.358 175.366 176.600 0.208 0.000 1.229 214 E CA -0.129 56.392 56.400 0.201 0.000 0.949 214 E CB 0.021 29.805 29.700 0.141 0.000 1.373 214 E HN 0.225 nan 8.360 nan 0.000 0.392 215 H N 1.127 120.282 119.070 0.142 0.000 2.505 215 H HA 0.365 4.921 4.556 0.000 0.000 0.338 215 H C -1.232 174.141 175.328 0.075 0.000 1.057 215 H CA -0.415 55.708 56.048 0.124 0.000 1.202 215 H CB 1.013 30.899 29.762 0.207 0.000 1.466 215 H HN 0.168 nan 8.280 nan 0.000 0.499 216 D N 3.170 123.320 120.400 -0.417 0.000 2.350 216 D HA 0.288 4.928 4.640 0.000 0.000 0.245 216 D C -0.662 175.396 176.300 -0.403 0.000 1.036 216 D CA -0.460 53.384 54.000 -0.260 0.000 0.848 216 D CB 2.269 42.993 40.800 -0.126 0.000 1.307 216 D HN 0.708 nan 8.370 nan 0.000 0.469 217 E N 1.019 121.131 120.200 -0.148 0.000 2.363 217 E HA 0.324 4.674 4.350 0.000 0.000 0.281 217 E C -2.911 173.681 176.600 -0.013 0.000 0.953 217 E CA -1.948 54.413 56.400 -0.064 0.000 0.778 217 E CB 2.357 32.115 29.700 0.096 0.000 1.220 217 E HN -0.024 nan 8.360 nan 0.000 0.431 218 P HA -0.044 nan 4.420 nan 0.000 0.264 218 P C 0.605 177.906 177.300 0.001 0.000 1.193 218 P CA -0.165 62.929 63.100 -0.010 0.000 0.763 218 P CB 0.790 32.480 31.700 -0.016 0.000 0.810 219 L N 5.335 126.564 121.223 0.009 0.000 2.012 219 L HA -0.196 4.144 4.340 0.000 0.000 0.210 219 L C 2.191 179.068 176.870 0.012 0.000 1.073 219 L CA 2.070 56.925 54.840 0.025 0.000 0.748 219 L CB -1.115 40.972 42.059 0.047 0.000 0.891 219 L HN 0.384 nan 8.230 nan 0.000 0.431 220 K N -2.282 118.118 120.400 -0.000 0.000 2.555 220 K HA 0.068 4.388 4.320 0.000 0.000 0.193 220 K C 0.906 177.503 176.600 -0.006 0.000 1.032 220 K CA 1.116 57.401 56.287 -0.003 0.000 1.004 220 K CB -0.127 32.365 32.500 -0.013 0.000 0.804 220 K HN 0.208 nan 8.250 nan 0.000 0.496 221 S N 0.209 115.905 115.700 -0.007 0.000 2.900 221 S HA 0.269 4.739 4.470 0.000 0.000 0.253 221 S C -0.144 174.448 174.600 -0.013 0.000 1.029 221 S CA -0.523 57.673 58.200 -0.007 0.000 1.096 221 S CB 1.048 64.246 63.200 -0.003 0.000 1.067 221 S HN 0.435 nan 8.310 nan 0.000 0.610 222 A N 4.261 127.066 122.820 -0.024 0.000 2.491 222 A HA 0.472 4.792 4.320 0.000 0.000 0.261 222 A C -2.165 175.364 177.584 -0.092 0.000 1.101 222 A CA -0.903 51.099 52.037 -0.058 0.000 0.772 222 A CB -0.310 18.645 19.000 -0.076 0.000 1.043 222 A HN 0.182 nan 8.150 nan 0.000 0.501 223 P HA 0.077 nan 4.420 nan 0.000 0.275 223 P C 1.002 178.120 177.300 -0.303 0.000 1.227 223 P CA -0.092 62.891 63.100 -0.194 0.000 0.781 223 P CB 1.447 33.011 31.700 -0.227 0.000 0.906 224 S N 2.961 118.571 115.700 -0.149 0.000 2.372 224 S HA -0.273 4.197 4.470 0.000 0.000 0.227 224 S C 1.802 176.347 174.600 -0.093 0.000 1.044 224 S CA 2.343 60.492 58.200 -0.084 0.000 1.050 224 S CB -1.145 62.046 63.200 -0.015 0.000 0.901 224 S HN 0.751 nan 8.310 nan 0.000 0.447 225 H N -0.065 119.014 119.070 0.015 0.000 2.326 225 H HA 0.177 4.733 4.556 0.000 0.000 0.301 225 H C 2.357 177.694 175.328 0.015 0.000 1.081 225 H CA 1.452 57.529 56.048 0.048 0.000 1.334 225 H CB -0.716 29.097 29.762 0.084 0.000 1.385 225 H HN 0.329 nan 8.280 nan 0.000 0.504 226 R N 0.681 120.837 120.500 -0.573 0.000 2.081 226 R HA -0.046 4.294 4.340 0.000 0.000 0.235 226 R C 2.522 178.575 176.300 -0.412 0.000 1.131 226 R CA 1.207 57.110 56.100 -0.329 0.000 0.960 226 R CB -0.393 29.666 30.300 -0.402 0.000 0.856 226 R HN 0.468 nan 8.270 nan 0.000 0.436 227 A N 0.816 123.427 122.820 -0.348 0.000 1.851 227 A HA -0.178 4.142 4.320 0.000 0.000 0.216 227 A C 2.126 179.590 177.584 -0.199 0.000 1.195 227 A CA 1.386 53.234 52.037 -0.315 0.000 0.622 227 A CB -0.782 18.109 19.000 -0.180 0.000 0.831 227 A HN 0.309 nan 8.150 nan 0.000 0.444 228 L N -0.692 120.519 121.223 -0.021 0.000 2.127 228 L HA -0.245 4.095 4.340 0.000 0.000 0.211 228 L C 3.062 179.978 176.870 0.077 0.000 1.089 228 L CA 1.062 55.966 54.840 0.106 0.000 0.757 228 L CB -0.512 41.612 42.059 0.108 0.000 0.899 228 L HN 0.480 nan 8.230 nan 0.000 0.434 229 A N 0.249 123.078 122.820 0.016 0.000 1.877 229 A HA -0.179 4.141 4.320 0.000 0.000 0.216 229 A C 2.212 179.788 177.584 -0.014 0.000 1.186 229 A CA 1.540 53.657 52.037 0.133 0.000 0.620 229 A CB -0.627 18.508 19.000 0.225 0.000 0.822 229 A HN 0.340 nan 8.150 nan 0.000 0.443 230 I N -1.714 118.622 120.570 -0.391 0.000 2.163 230 I HA -0.266 3.904 4.170 0.000 0.000 0.243 230 I C 2.223 178.093 176.117 -0.411 0.000 1.085 230 I CA 1.453 62.430 61.300 -0.539 0.000 1.347 230 I CB -0.390 37.174 38.000 -0.726 0.000 1.044 230 I HN 0.344 nan 8.210 nan 0.000 0.408 231 F N 0.352 120.140 119.950 -0.270 0.000 2.307 231 F HA -0.171 4.356 4.527 0.000 0.000 0.301 231 F C 2.367 178.058 175.800 -0.182 0.000 1.076 231 F CA 0.497 58.365 58.000 -0.220 0.000 1.383 231 F CB -0.157 38.738 39.000 -0.174 0.000 1.055 231 F HN -0.058 nan 8.300 nan 0.000 0.526 232 R N 0.593 121.083 120.500 -0.018 0.000 2.328 232 R HA -0.027 4.313 4.340 0.000 0.000 0.207 232 R C 1.520 177.644 176.300 -0.293 0.000 1.056 232 R CA 0.517 56.588 56.100 -0.049 0.000 1.016 232 R CB -1.340 29.077 30.300 0.194 0.000 0.872 232 R HN 0.192 nan 8.270 nan 0.000 0.471 233 G N 1.902 110.450 108.800 -0.421 0.000 3.392 233 G HA2 -0.054 3.906 3.960 0.000 0.000 0.247 233 G HA3 -0.054 3.906 3.960 0.000 0.000 0.247 233 G C 0.638 175.470 174.900 -0.112 0.000 1.161 233 G CA -0.381 44.526 45.100 -0.322 0.000 1.739 233 G HN 0.326 nan 8.290 nan 0.000 0.619 234 R N -0.602 119.867 120.500 -0.051 0.000 2.568 234 R HA 0.282 4.623 4.340 0.000 0.000 0.206 234 R C 0.366 176.673 176.300 0.012 0.000 1.178 234 R CA -0.897 55.211 56.100 0.012 0.000 1.040 234 R CB -0.348 29.971 30.300 0.032 0.000 1.562 234 R HN 0.006 nan 8.270 nan 0.000 0.512 235 N N 2.070 120.784 118.700 0.022 0.000 2.142 235 N HA -0.171 4.569 4.740 0.000 0.000 0.282 235 N C -0.752 174.771 175.510 0.021 0.000 1.342 235 N CA 1.233 54.296 53.050 0.021 0.000 0.831 235 N CB -0.084 38.417 38.487 0.023 0.000 1.083 235 N HN 0.681 nan 8.380 nan 0.000 0.492 236 E N 0.958 121.168 120.200 0.016 0.000 2.613 236 E HA -0.168 4.183 4.350 0.000 0.000 0.161 236 E C -0.884 175.723 176.600 0.013 0.000 1.664 236 E CA 0.981 57.390 56.400 0.016 0.000 0.661 236 E CB -1.247 28.467 29.700 0.023 0.000 1.098 236 E HN 0.689 nan 8.360 nan 0.000 0.364 237 G N 0.522 109.319 108.800 -0.005 0.000 2.454 237 G HA2 0.552 4.512 3.960 0.000 0.000 0.329 237 G HA3 0.552 4.512 3.960 0.000 0.000 0.329 237 G C 0.871 175.748 174.900 -0.039 0.000 1.177 237 G CA -0.161 44.919 45.100 -0.033 0.000 0.951 237 G HN 0.553 nan 8.290 nan 0.000 0.485 238 V N -1.298 118.580 119.914 -0.060 0.000 3.621 238 V HA 0.507 4.628 4.120 0.000 0.000 0.285 238 V C 0.434 176.464 176.094 -0.106 0.000 1.346 238 V CA 0.016 62.288 62.300 -0.046 0.000 1.104 238 V CB -1.082 30.781 31.823 0.067 0.000 0.913 238 V HN 0.366 nan 8.190 nan 0.000 0.432 239 L N 1.216 122.364 121.223 -0.125 0.000 2.333 239 L HA 0.776 5.116 4.340 0.000 0.000 0.263 239 L C -0.185 176.637 176.870 -0.080 0.000 1.014 239 L CA -0.401 54.372 54.840 -0.112 0.000 0.820 239 L CB 2.512 44.481 42.059 -0.149 0.000 1.352 239 L HN 0.302 nan 8.230 nan 0.000 0.421 240 S N 0.714 116.383 115.700 -0.051 0.000 2.513 240 S HA 0.918 5.389 4.470 0.000 0.000 0.299 240 S C -0.807 173.796 174.600 0.004 0.000 1.087 240 S CA -0.642 57.552 58.200 -0.010 0.000 1.012 240 S CB 2.216 65.418 63.200 0.003 0.000 1.044 240 S HN 0.763 nan 8.310 nan 0.000 0.485 241 A N 1.335 124.191 122.820 0.059 0.000 2.401 241 A HA 0.942 5.263 4.320 0.000 0.000 0.310 241 A C -0.265 177.524 177.584 0.341 0.000 1.075 241 A CA -0.731 51.363 52.037 0.094 0.000 0.746 241 A CB 1.777 20.682 19.000 -0.159 0.000 1.277 241 A HN 1.502 nan 8.150 nan 0.000 0.425 242 S N 0.538 116.464 115.700 0.377 0.000 2.567 242 S HA 0.630 5.100 4.470 0.000 0.000 0.270 242 S C -1.828 172.973 174.600 0.335 0.000 1.152 242 S CA -0.605 57.814 58.200 0.364 0.000 0.835 242 S CB 0.697 64.029 63.200 0.221 0.000 1.115 242 S HN 0.795 nan 8.310 nan 0.000 0.459 243 L N 2.725 124.132 121.223 0.308 0.000 2.307 243 L HA 0.652 4.992 4.340 0.000 0.000 0.284 243 L C -0.406 176.650 176.870 0.310 0.000 1.023 243 L CA -0.573 54.440 54.840 0.288 0.000 0.810 243 L CB 1.551 43.758 42.059 0.247 0.000 1.231 243 L HN 0.542 nan 8.230 nan 0.000 0.423 244 K N 3.349 123.888 120.400 0.232 0.000 2.613 244 K HA 0.412 4.732 4.320 0.000 0.000 0.248 244 K C -1.303 175.402 176.600 0.176 0.000 0.959 244 K CA -0.655 55.759 56.287 0.213 0.000 0.855 244 K CB 2.673 35.252 32.500 0.133 0.000 1.143 244 K HN 0.241 nan 8.250 nan 0.000 0.437 245 V N 3.088 123.142 119.914 0.233 0.000 2.372 245 V HA 0.370 4.490 4.120 0.000 0.000 0.261 245 V C 0.924 177.006 176.094 -0.019 0.000 1.055 245 V CA 0.399 62.758 62.300 0.098 0.000 0.930 245 V CB -0.091 31.815 31.823 0.137 0.000 1.031 245 V HN 1.069 nan 8.190 nan 0.000 0.479 246 G N 5.928 114.721 108.800 -0.012 0.000 2.642 246 G HA2 -0.168 3.792 3.960 0.000 0.000 0.231 246 G HA3 -0.168 3.792 3.960 0.000 0.000 0.231 246 G C -0.479 174.417 174.900 -0.006 0.000 1.338 246 G CA -0.449 44.635 45.100 -0.026 0.000 0.883 246 G HN 0.689 nan 8.290 nan 0.000 0.570 247 E N 0.590 120.783 120.200 -0.011 0.000 2.301 247 E HA 0.490 4.840 4.350 0.000 0.000 0.275 247 E C 0.323 176.930 176.600 0.012 0.000 1.030 247 E CA -0.333 56.068 56.400 0.002 0.000 0.852 247 E CB 1.302 31.000 29.700 -0.003 0.000 1.060 247 E HN 0.682 nan 8.360 nan 0.000 0.401 248 E N 1.852 122.065 120.200 0.022 0.000 1.833 248 E HA 0.211 4.561 4.350 0.000 0.000 0.258 248 E C -1.360 175.251 176.600 0.018 0.000 1.257 248 E CA -0.079 56.337 56.400 0.027 0.000 1.003 248 E CB -0.396 29.318 29.700 0.024 0.000 1.068 248 E HN 0.458 nan 8.360 nan 0.000 0.422 249 A N 6.392 129.222 122.820 0.017 0.000 2.545 249 A HA 0.448 4.768 4.320 0.000 0.000 0.300 249 A C -2.447 175.146 177.584 0.015 0.000 1.252 249 A CA -1.516 50.528 52.037 0.011 0.000 0.753 249 A CB 0.566 19.567 19.000 0.002 0.000 1.144 249 A HN 0.540 nan 8.150 nan 0.000 0.457 250 P HA 0.253 nan 4.420 nan 0.000 0.267 250 P C 1.016 178.326 177.300 0.017 0.000 1.200 250 P CA 1.641 64.754 63.100 0.021 0.000 0.772 250 P CB 0.820 32.531 31.700 0.018 0.000 0.855 251 G N 0.972 109.785 108.800 0.020 0.000 2.176 251 G HA2 -0.177 3.784 3.960 0.000 0.000 0.253 251 G HA3 -0.177 3.784 3.960 0.000 0.000 0.253 251 G C 0.086 174.992 174.900 0.010 0.000 0.979 251 G CA 0.275 45.384 45.100 0.016 0.000 0.641 251 G HN 0.742 nan 8.290 nan 0.000 0.530 252 T N 1.522 116.081 114.554 0.008 0.000 2.829 252 T HA 0.634 4.985 4.350 0.000 0.000 0.280 252 T C 0.394 175.091 174.700 -0.004 0.000 0.999 252 T CA -0.640 61.457 62.100 -0.005 0.000 0.983 252 T CB 2.058 70.917 68.868 -0.016 0.000 0.968 252 T HN 0.293 nan 8.240 nan 0.000 0.446 253 L N 3.521 124.733 121.223 -0.018 0.000 2.410 253 L HA 0.160 4.501 4.340 0.000 0.000 0.273 253 L C 1.148 177.986 176.870 -0.053 0.000 1.152 253 L CA -0.545 54.280 54.840 -0.024 0.000 0.855 253 L CB 0.275 42.310 42.059 -0.039 0.000 1.129 253 L HN 0.657 nan 8.230 nan 0.000 0.463 254 H N 6.216 125.194 119.070 -0.153 0.000 2.928 254 H HA 0.013 4.569 4.556 0.000 0.000 0.338 254 H C -1.760 173.380 175.328 -0.314 0.000 1.047 254 H CA -1.157 54.751 56.048 -0.233 0.000 1.435 254 H CB 1.516 31.044 29.762 -0.390 0.000 1.428 254 H HN 0.372 nan 8.280 nan 0.000 0.590 255 P HA -0.169 nan 4.420 nan 0.000 0.217 255 P C 1.477 178.541 177.300 -0.393 0.000 1.148 255 P CA 1.283 64.178 63.100 -0.341 0.000 0.834 255 P CB 0.076 31.607 31.700 -0.282 0.000 0.783 256 C N -0.935 118.209 119.300 -0.260 0.000 2.457 256 C HA -0.062 4.398 4.460 0.000 0.000 0.278 256 C C 2.538 177.230 174.990 -0.497 0.000 1.309 256 C CA 0.609 59.294 59.018 -0.555 0.000 1.735 256 C CB -1.493 25.598 27.740 -1.081 0.000 1.992 256 C HN 0.344 nan 8.230 nan 0.000 0.493 257 E N 0.506 120.416 120.200 -0.484 0.000 2.085 257 E HA -0.192 4.158 4.350 0.000 0.000 0.194 257 E C 2.112 178.615 176.600 -0.163 0.000 0.994 257 E CA 1.388 57.638 56.400 -0.249 0.000 0.801 257 E CB -0.160 29.440 29.700 -0.167 0.000 0.743 257 E HN 0.493 nan 8.360 nan 0.000 0.453 258 V N 1.211 121.012 119.914 -0.189 0.000 2.343 258 V HA -0.287 3.833 4.120 0.000 0.000 0.247 258 V C 2.282 178.267 176.094 -0.181 0.000 1.051 258 V CA 1.727 63.930 62.300 -0.162 0.000 1.036 258 V CB -0.395 31.324 31.823 -0.173 0.000 0.654 258 V HN 0.315 nan 8.190 nan 0.000 0.451 259 M N -0.918 118.531 119.600 -0.251 0.000 2.132 259 M HA -0.123 4.357 4.480 0.000 0.000 0.263 259 M C 2.167 178.351 176.300 -0.194 0.000 1.065 259 M CA 1.918 57.069 55.300 -0.249 0.000 1.122 259 M CB -0.446 31.953 32.600 -0.336 0.000 1.365 259 M HN 0.271 nan 8.290 nan 0.000 0.411 260 I N 0.267 120.749 120.570 -0.147 0.000 2.099 260 I HA -0.294 3.876 4.170 0.000 0.000 0.239 260 I C 2.769 178.869 176.117 -0.030 0.000 1.066 260 I CA 1.472 62.739 61.300 -0.055 0.000 1.324 260 I CB -0.723 37.297 38.000 0.034 0.000 1.037 260 I HN 0.259 nan 8.210 nan 0.000 0.401 261 A N 0.270 123.072 122.820 -0.031 0.000 1.883 261 A HA -0.300 4.020 4.320 0.000 0.000 0.217 261 A C 2.317 179.876 177.584 -0.041 0.000 1.186 261 A CA 2.182 54.217 52.037 -0.003 0.000 0.624 261 A CB -0.802 18.188 19.000 -0.016 0.000 0.822 261 A HN 0.524 nan 8.150 nan 0.000 0.444 262 E N -0.675 119.466 120.200 -0.099 0.000 2.110 262 E HA -0.271 4.079 4.350 0.000 0.000 0.193 262 E C 2.183 178.673 176.600 -0.183 0.000 0.988 262 E CA 1.359 57.686 56.400 -0.122 0.000 0.804 262 E CB -0.076 29.545 29.700 -0.132 0.000 0.745 262 E HN 0.450 nan 8.360 nan 0.000 0.458 263 R N -0.196 120.127 120.500 -0.294 0.000 2.159 263 R HA -0.124 4.216 4.340 0.000 0.000 0.237 263 R C 0.801 176.669 176.300 -0.721 0.000 1.131 263 R CA 1.504 57.274 56.100 -0.550 0.000 0.982 263 R CB -0.320 29.522 30.300 -0.763 0.000 0.868 263 R HN 0.214 nan 8.270 nan 0.000 0.453 264 F N -0.871 118.999 119.950 -0.134 0.000 2.735 264 F HA 0.377 4.904 4.527 0.000 0.000 0.308 264 F C 1.056 176.805 175.800 -0.084 0.000 1.112 264 F CA -0.105 57.862 58.000 -0.056 0.000 1.235 264 F CB 0.919 39.853 39.000 -0.111 0.000 1.027 264 F HN 0.172 nan 8.300 nan 0.000 0.528 265 G N 2.011 110.810 108.800 -0.003 0.000 2.393 265 G HA2 -0.302 3.658 3.960 0.000 0.000 0.299 265 G HA3 -0.302 3.658 3.960 0.000 0.000 0.299 265 G C -0.008 174.858 174.900 -0.056 0.000 0.990 265 G CA -0.015 45.059 45.100 -0.042 0.000 1.118 265 G HN 0.437 nan 8.290 nan 0.000 0.513 266 L N 1.230 122.440 121.223 -0.022 0.000 2.701 266 L HA 0.334 4.674 4.340 0.000 0.000 0.237 266 L C 1.069 177.930 176.870 -0.015 0.000 1.204 266 L CA -0.332 54.497 54.840 -0.018 0.000 1.109 266 L CB 0.834 42.916 42.059 0.039 0.000 1.409 266 L HN 0.297 nan 8.230 nan 0.000 0.428 267 S N 1.195 116.878 115.700 -0.028 0.000 2.505 267 S HA 0.097 4.568 4.470 0.000 0.000 0.276 267 S C 0.473 175.067 174.600 -0.011 0.000 1.274 267 S CA -0.500 57.686 58.200 -0.023 0.000 1.053 267 S CB 0.387 63.570 63.200 -0.028 0.000 0.919 267 S HN 0.473 nan 8.310 nan 0.000 0.490 268 N N 4.191 122.888 118.700 -0.005 0.000 2.508 268 N HA 0.095 4.835 4.740 0.000 0.000 0.253 268 N C -0.409 175.102 175.510 0.002 0.000 1.145 268 N CA 0.093 53.146 53.050 0.005 0.000 0.973 268 N CB 0.278 38.770 38.487 0.008 0.000 1.305 268 N HN 0.662 nan 8.380 nan 0.000 0.506 269 Q N 1.250 121.051 119.800 0.002 0.000 2.241 269 Q HA 0.279 4.619 4.340 0.000 0.000 0.296 269 Q C 1.034 177.036 176.000 0.004 0.000 0.889 269 Q CA -0.224 55.578 55.803 -0.001 0.000 1.089 269 Q CB 0.368 29.103 28.738 -0.006 0.000 1.195 269 Q HN 0.669 nan 8.270 nan 0.000 0.451 270 G N 1.289 110.095 108.800 0.010 0.000 2.196 270 G HA2 -0.374 3.586 3.960 0.000 0.000 0.268 270 G HA3 -0.374 3.586 3.960 0.000 0.000 0.268 270 G C 0.327 175.235 174.900 0.014 0.000 0.975 270 G CA 0.311 45.419 45.100 0.013 0.000 0.648 270 G HN 0.354 nan 8.290 nan 0.000 0.538 271 R N -0.299 120.209 120.500 0.014 0.000 2.801 271 R HA 0.519 4.859 4.340 0.000 0.000 0.273 271 R C 2.032 178.345 176.300 0.022 0.000 1.080 271 R CA 0.133 56.240 56.100 0.013 0.000 1.197 271 R CB 0.167 30.472 30.300 0.009 0.000 1.109 271 R HN 0.351 nan 8.270 nan 0.000 0.535 272 A N 1.020 123.849 122.820 0.016 0.000 1.933 272 A HA -0.168 4.152 4.320 0.000 0.000 0.218 272 A C 1.912 179.517 177.584 0.034 0.000 1.175 272 A CA 2.044 54.090 52.037 0.015 0.000 0.628 272 A CB -0.611 18.388 19.000 -0.001 0.000 0.814 272 A HN 0.765 nan 8.150 nan 0.000 0.444 273 A N -0.942 121.909 122.820 0.051 0.000 2.220 273 A HA 0.150 4.470 4.320 0.000 0.000 0.211 273 A C 1.334 179.015 177.584 0.163 0.000 1.176 273 A CA 0.913 53.017 52.037 0.112 0.000 0.834 273 A CB -0.238 18.831 19.000 0.114 0.000 0.868 273 A HN 0.352 nan 8.150 nan 0.000 0.488 274 D N 0.497 120.955 120.400 0.098 0.000 2.271 274 D HA -0.190 4.451 4.640 0.000 0.000 0.207 274 D C 1.747 178.100 176.300 0.090 0.000 0.983 274 D CA 1.515 55.563 54.000 0.080 0.000 0.878 274 D CB 0.013 40.840 40.800 0.044 0.000 0.920 274 D HN 0.686 nan 8.370 nan 0.000 0.479 275 K N -1.021 119.445 120.400 0.111 0.000 2.128 275 K HA -0.091 4.229 4.320 0.000 0.000 0.202 275 K C 2.085 178.767 176.600 0.137 0.000 1.050 275 K CA 0.217 56.566 56.287 0.103 0.000 0.966 275 K CB -0.153 32.403 32.500 0.093 0.000 0.759 275 K HN 0.105 nan 8.250 nan 0.000 0.454 276 W N 1.950 123.241 121.300 -0.016 0.000 2.381 276 W HA -0.110 4.550 4.660 0.000 0.000 0.301 276 W C 1.439 177.940 176.519 -0.030 0.000 1.205 276 W CA 1.294 58.614 57.345 -0.042 0.000 1.285 276 W CB -0.219 29.210 29.460 -0.051 0.000 1.133 276 W HN -0.000 nan 8.180 nan 0.000 0.521 277 L N 0.475 121.764 121.223 0.111 0.000 2.017 277 L HA -0.217 4.124 4.340 0.000 0.000 0.208 277 L C 2.753 179.587 176.870 -0.060 0.000 1.073 277 L CA 1.534 56.360 54.840 -0.024 0.000 0.745 277 L CB -1.448 40.692 42.059 0.133 0.000 0.894 277 L HN 0.086 nan 8.230 nan 0.000 0.432 278 A N 0.021 122.840 122.820 -0.001 0.000 1.908 278 A HA -0.296 4.024 4.320 0.000 0.000 0.218 278 A C 2.275 179.852 177.584 -0.013 0.000 1.181 278 A CA 2.084 54.127 52.037 0.010 0.000 0.627 278 A CB -0.653 18.364 19.000 0.028 0.000 0.818 278 A HN 0.553 nan 8.150 nan 0.000 0.445 279 E N -0.221 119.934 120.200 -0.075 0.000 2.204 279 E HA -0.118 4.232 4.350 0.000 0.000 0.195 279 E C 1.728 178.212 176.600 -0.194 0.000 0.990 279 E CA 1.331 57.672 56.400 -0.097 0.000 0.821 279 E CB -0.133 29.458 29.700 -0.182 0.000 0.750 279 E HN 0.342 nan 8.360 nan 0.000 0.477 280 V N 0.564 120.260 119.914 -0.363 0.000 2.283 280 V HA -0.211 3.909 4.120 0.000 0.000 0.243 280 V C 2.481 178.560 176.094 -0.025 0.000 1.039 280 V CA 1.360 63.428 62.300 -0.386 0.000 1.016 280 V CB -0.171 31.293 31.823 -0.598 0.000 0.650 280 V HN 0.206 nan 8.190 nan 0.000 0.449 281 V N 0.377 120.339 119.914 0.080 0.000 2.380 281 V HA -0.331 3.790 4.120 0.000 0.000 0.251 281 V C 2.532 178.746 176.094 0.199 0.000 1.063 281 V CA 2.626 65.037 62.300 0.185 0.000 1.055 281 V CB -0.869 31.028 31.823 0.122 0.000 0.657 281 V HN 0.530 nan 8.190 nan 0.000 0.455 282 R N -1.642 118.965 120.500 0.178 0.000 2.075 282 R HA -0.156 4.185 4.340 0.000 0.000 0.226 282 R C 2.129 178.595 176.300 0.277 0.000 1.114 282 R CA 1.558 57.795 56.100 0.228 0.000 0.972 282 R CB -0.256 30.161 30.300 0.196 0.000 0.869 282 R HN 0.508 nan 8.270 nan 0.000 0.437 283 W N 0.975 122.264 121.300 -0.018 0.000 2.388 283 W HA -0.041 4.619 4.660 0.000 0.000 0.294 283 W C 2.288 178.793 176.519 -0.024 0.000 1.212 283 W CA 1.678 58.983 57.345 -0.066 0.000 1.271 283 W CB -0.689 28.654 29.460 -0.195 0.000 1.126 283 W HN 0.078 nan 8.180 nan 0.000 0.535 284 T N -0.306 114.396 114.554 0.246 0.000 2.652 284 T HA -0.308 4.042 4.350 0.000 0.000 0.267 284 T C 1.518 176.350 174.700 0.219 0.000 1.039 284 T CA 1.737 63.965 62.100 0.213 0.000 1.153 284 T CB -0.999 68.043 68.868 0.291 0.000 0.863 284 T HN 0.374 nan 8.240 nan 0.000 0.428 285 W N 2.261 123.598 121.300 0.062 0.000 2.332 285 W HA -0.164 4.496 4.660 0.000 0.000 0.321 285 W C 1.760 178.279 176.519 -0.001 0.000 1.219 285 W CA 1.120 58.475 57.345 0.016 0.000 1.277 285 W CB -0.117 29.324 29.460 -0.032 0.000 1.161 285 W HN 0.115 nan 8.180 nan 0.000 0.476 286 K N 0.143 120.438 120.400 -0.176 0.000 2.288 286 K HA -0.065 4.255 4.320 0.000 0.000 0.201 286 K C 1.661 178.082 176.600 -0.299 0.000 1.048 286 K CA 1.093 57.157 56.287 -0.372 0.000 0.956 286 K CB -0.457 31.892 32.500 -0.252 0.000 0.746 286 K HN 0.254 nan 8.250 nan 0.000 0.461 287 V N 0.388 120.184 119.914 -0.196 0.000 3.379 287 V HA 0.038 4.158 4.120 0.000 0.000 0.249 287 V C 1.762 177.820 176.094 -0.060 0.000 1.184 287 V CA 0.816 63.036 62.300 -0.134 0.000 1.106 287 V CB 0.150 31.917 31.823 -0.094 0.000 0.826 287 V HN 0.080 nan 8.190 nan 0.000 0.465 288 K N -0.089 120.288 120.400 -0.037 0.000 2.378 288 K HA 0.389 4.709 4.320 0.000 0.000 0.222 288 K C 1.931 178.525 176.600 -0.010 0.000 1.178 288 K CA 0.394 56.690 56.287 0.015 0.000 0.827 288 K CB -0.356 32.190 32.500 0.077 0.000 1.412 288 K HN 0.180 nan 8.250 nan 0.000 0.443 289 L N 0.588 121.797 121.223 -0.023 0.000 2.027 289 L HA -0.151 4.189 4.340 0.000 0.000 0.206 289 L C 2.622 179.335 176.870 -0.262 0.000 1.074 289 L CA 1.466 56.283 54.840 -0.037 0.000 0.745 289 L CB -0.620 41.542 42.059 0.171 0.000 0.898 289 L HN 0.151 nan 8.230 nan 0.000 0.433 290 Y N 0.841 120.664 120.300 -0.794 0.000 2.070 290 Y HA -0.362 4.188 4.550 0.000 0.000 0.280 290 Y C 2.986 178.605 175.900 -0.470 0.000 1.148 290 Y CA 2.412 59.876 58.100 -1.060 0.000 1.125 290 Y CB -0.707 36.894 38.460 -1.432 0.000 0.975 290 Y HN 0.092 nan 8.280 nan 0.000 0.492 291 T N -0.721 113.556 114.554 -0.462 0.000 2.720 291 T HA -0.282 4.068 4.350 0.000 0.000 0.268 291 T C 2.007 176.537 174.700 -0.283 0.000 1.037 291 T CA 1.912 63.776 62.100 -0.393 0.000 1.144 291 T CB -0.780 67.995 68.868 -0.155 0.000 0.864 291 T HN 0.685 nan 8.240 nan 0.000 0.444 292 H N 0.877 119.789 119.070 -0.265 0.000 2.352 292 H HA 0.011 4.568 4.556 0.000 0.000 0.299 292 H C 2.096 177.310 175.328 -0.189 0.000 1.097 292 H CA 1.786 57.733 56.048 -0.168 0.000 1.311 292 H CB -0.626 29.080 29.762 -0.093 0.000 1.377 292 H HN 0.431 nan 8.280 nan 0.000 0.504 293 L N 0.130 121.328 121.223 -0.042 0.000 2.418 293 L HA -0.002 4.338 4.340 0.000 0.000 0.218 293 L C 2.670 179.403 176.870 -0.228 0.000 1.125 293 L CA 0.687 55.478 54.840 -0.082 0.000 0.835 293 L CB -0.181 41.836 42.059 -0.070 0.000 0.953 293 L HN 0.284 nan 8.230 nan 0.000 0.454 294 E N -0.046 119.853 120.200 -0.502 0.000 2.112 294 E HA -0.147 4.203 4.350 0.000 0.000 0.190 294 E C 1.838 178.121 176.600 -0.527 0.000 0.979 294 E CA 1.431 57.395 56.400 -0.728 0.000 0.814 294 E CB 0.232 29.277 29.700 -1.092 0.000 0.762 294 E HN 0.376 nan 8.360 nan 0.000 0.460 295 T N 1.290 115.666 114.554 -0.297 0.000 2.867 295 T HA -0.111 4.239 4.350 0.000 0.000 0.268 295 T C 1.117 175.816 174.700 -0.002 0.000 1.057 295 T CA 1.249 63.283 62.100 -0.110 0.000 1.136 295 T CB -0.176 68.628 68.868 -0.106 0.000 0.874 295 T HN 0.138 nan 8.240 nan 0.000 0.466 296 D N 1.158 121.562 120.400 0.006 0.000 2.097 296 D HA 0.042 4.683 4.640 0.000 0.000 0.197 296 D C 2.094 178.450 176.300 0.093 0.000 0.984 296 D CA 0.785 54.825 54.000 0.067 0.000 0.826 296 D CB -0.318 40.543 40.800 0.102 0.000 0.973 296 D HN 0.299 nan 8.370 nan 0.000 0.460 297 L N -0.553 120.719 121.223 0.082 0.000 2.179 297 L HA -0.006 4.334 4.340 0.000 0.000 0.208 297 L C 2.418 179.484 176.870 0.326 0.000 1.096 297 L CA 0.477 55.409 54.840 0.153 0.000 0.779 297 L CB -0.298 41.829 42.059 0.114 0.000 0.922 297 L HN 0.009 nan 8.230 nan 0.000 0.443 298 F N 0.148 120.158 119.950 0.099 0.000 2.102 298 F HA -0.171 4.356 4.527 0.000 0.000 0.298 298 F C 2.533 178.430 175.800 0.162 0.000 1.105 298 F CA 0.715 58.856 58.000 0.234 0.000 1.239 298 F CB -0.510 38.648 39.000 0.264 0.000 0.991 298 F HN 0.127 nan 8.300 nan 0.000 0.474 299 G N -0.356 108.590 108.800 0.244 0.000 2.421 299 G HA2 -0.309 3.651 3.960 0.000 0.000 0.216 299 G HA3 -0.309 3.651 3.960 0.000 0.000 0.216 299 G C 1.333 176.270 174.900 0.061 0.000 1.171 299 G CA 0.978 46.119 45.100 0.069 0.000 0.775 299 G HN 0.388 nan 8.290 nan 0.000 0.543 300 E N -0.223 120.035 120.200 0.097 0.000 2.085 300 E HA -0.148 4.202 4.350 0.000 0.000 0.194 300 E C 2.379 179.024 176.600 0.074 0.000 0.994 300 E CA 1.099 57.544 56.400 0.075 0.000 0.801 300 E CB -0.226 29.523 29.700 0.082 0.000 0.743 300 E HN 0.345 nan 8.360 nan 0.000 0.453 301 L N 1.093 122.392 121.223 0.127 0.000 2.046 301 L HA -0.135 4.206 4.340 0.000 0.000 0.208 301 L C 2.552 179.491 176.870 0.116 0.000 1.077 301 L CA 1.855 56.769 54.840 0.124 0.000 0.747 301 L CB -0.400 41.761 42.059 0.169 0.000 0.896 301 L HN 0.016 nan 8.230 nan 0.000 0.432 302 R N -0.506 120.063 120.500 0.115 0.000 2.073 302 R HA -0.181 4.159 4.340 0.000 0.000 0.234 302 R C 1.954 178.234 176.300 -0.032 0.000 1.134 302 R CA 1.958 58.048 56.100 -0.017 0.000 0.952 302 R CB -0.350 29.716 30.300 -0.390 0.000 0.850 302 R HN 0.436 nan 8.270 nan 0.000 0.433 303 D N -0.612 119.770 120.400 -0.030 0.000 2.092 303 D HA -0.131 4.509 4.640 0.000 0.000 0.193 303 D C 1.765 178.054 176.300 -0.018 0.000 0.994 303 D CA 1.685 55.669 54.000 -0.025 0.000 0.828 303 D CB -0.744 40.045 40.800 -0.018 0.000 0.963 303 D HN 0.506 nan 8.370 nan 0.000 0.450 304 G N 0.605 109.400 108.800 -0.008 0.000 2.442 304 G HA2 -0.205 3.756 3.960 0.000 0.000 0.219 304 G HA3 -0.205 3.756 3.960 0.000 0.000 0.219 304 G C 1.671 176.561 174.900 -0.016 0.000 1.141 304 G CA 1.347 46.439 45.100 -0.014 0.000 0.763 304 G HN 0.421 nan 8.290 nan 0.000 0.554 305 A N 0.188 123.007 122.820 -0.001 0.000 1.968 305 A HA 0.128 4.448 4.320 0.000 0.000 0.217 305 A C 2.102 179.680 177.584 -0.010 0.000 1.169 305 A CA 1.789 53.824 52.037 -0.004 0.000 0.638 305 A CB -0.250 18.765 19.000 0.024 0.000 0.812 305 A HN 0.444 nan 8.150 nan 0.000 0.446 306 E N -0.095 120.102 120.200 -0.005 0.000 2.016 306 E HA -0.177 4.173 4.350 0.000 0.000 0.190 306 E C 1.435 178.025 176.600 -0.017 0.000 0.985 306 E CA 1.155 57.557 56.400 0.002 0.000 0.802 306 E CB -0.083 29.616 29.700 -0.001 0.000 0.762 306 E HN 0.469 nan 8.360 nan 0.000 0.448 307 D N 0.293 120.679 120.400 -0.024 0.000 2.158 307 D HA -0.209 4.431 4.640 0.000 0.000 0.197 307 D C 1.745 178.009 176.300 -0.059 0.000 0.995 307 D CA 1.122 55.102 54.000 -0.034 0.000 0.846 307 D CB -0.177 40.600 40.800 -0.039 0.000 0.941 307 D HN 0.267 nan 8.370 nan 0.000 0.456 308 E N 0.100 120.259 120.200 -0.068 0.000 2.046 308 E HA -0.108 4.242 4.350 0.000 0.000 0.190 308 E C 2.044 178.543 176.600 -0.167 0.000 0.982 308 E CA 0.905 57.251 56.400 -0.090 0.000 0.800 308 E CB -0.023 29.639 29.700 -0.064 0.000 0.756 308 E HN 0.167 nan 8.360 nan 0.000 0.449 309 A N 1.160 123.858 122.820 -0.203 0.000 1.917 309 A HA -0.203 4.117 4.320 0.000 0.000 0.219 309 A C 2.157 179.289 177.584 -0.754 0.000 1.182 309 A CA 1.558 53.321 52.037 -0.457 0.000 0.633 309 A CB -0.715 18.103 19.000 -0.304 0.000 0.819 309 A HN 0.366 nan 8.150 nan 0.000 0.448 310 I N -0.550 119.836 120.570 -0.306 0.000 2.394 310 I HA -0.171 3.999 4.170 0.000 0.000 0.251 310 I C 2.556 178.632 176.117 -0.068 0.000 1.136 310 I CA 1.088 62.349 61.300 -0.065 0.000 1.425 310 I CB -0.233 37.819 38.000 0.086 0.000 1.079 310 I HN 0.214 nan 8.210 nan 0.000 0.425 311 S N 0.402 116.035 115.700 -0.112 0.000 2.368 311 S HA -0.136 4.334 4.470 0.000 0.000 0.225 311 S C 2.109 176.657 174.600 -0.086 0.000 1.030 311 S CA 1.151 59.306 58.200 -0.075 0.000 0.999 311 S CB -0.162 62.992 63.200 -0.077 0.000 0.844 311 S HN 0.223 nan 8.310 nan 0.000 0.459 312 V N 1.179 120.981 119.914 -0.187 0.000 2.307 312 V HA -0.135 3.985 4.120 0.000 0.000 0.245 312 V C 1.811 177.881 176.094 -0.041 0.000 1.045 312 V CA 1.631 63.835 62.300 -0.160 0.000 1.024 312 V CB -0.820 30.851 31.823 -0.252 0.000 0.651 312 V HN 0.508 nan 8.190 nan 0.000 0.449 313 F N 0.670 120.626 119.950 0.009 0.000 2.091 313 F HA -0.268 4.259 4.527 0.000 0.000 0.299 313 F C 2.550 178.362 175.800 0.020 0.000 1.103 313 F CA 1.169 59.175 58.000 0.010 0.000 1.228 313 F CB -0.616 38.389 39.000 0.009 0.000 0.984 313 F HN 0.168 nan 8.300 nan 0.000 0.477 314 A N 0.268 123.208 122.820 0.201 0.000 1.933 314 A HA -0.233 4.087 4.320 0.000 0.000 0.218 314 A C 2.032 179.685 177.584 0.115 0.000 1.175 314 A CA 1.847 53.963 52.037 0.132 0.000 0.628 314 A CB -0.750 18.300 19.000 0.083 0.000 0.814 314 A HN 0.342 nan 8.150 nan 0.000 0.444 315 R N 0.507 121.054 120.500 0.079 0.000 2.073 315 R HA -0.140 4.200 4.340 0.000 0.000 0.234 315 R C 1.790 178.169 176.300 0.132 0.000 1.134 315 R CA 2.107 58.251 56.100 0.073 0.000 0.952 315 R CB -0.487 29.827 30.300 0.024 0.000 0.850 315 R HN 0.524 nan 8.270 nan 0.000 0.433 316 N N 0.638 119.410 118.700 0.120 0.000 2.069 316 N HA -0.191 4.549 4.740 0.000 0.000 0.191 316 N C 1.616 177.190 175.510 0.107 0.000 1.031 316 N CA 1.457 54.575 53.050 0.113 0.000 0.852 316 N CB -0.565 37.996 38.487 0.123 0.000 1.018 316 N HN 0.208 nan 8.380 nan 0.000 0.423 317 L N 0.824 122.116 121.223 0.115 0.000 2.079 317 L HA -0.169 4.171 4.340 0.000 0.000 0.210 317 L C 2.252 179.176 176.870 0.089 0.000 1.081 317 L CA 1.771 56.663 54.840 0.086 0.000 0.752 317 L CB -0.882 41.226 42.059 0.082 0.000 0.896 317 L HN 0.297 nan 8.230 nan 0.000 0.433 318 H N -0.759 118.331 119.070 0.033 0.000 2.321 318 H HA -0.163 4.394 4.556 0.000 0.000 0.300 318 H C 1.728 177.071 175.328 0.025 0.000 1.087 318 H CA 2.223 58.286 56.048 0.025 0.000 1.319 318 H CB -0.026 29.750 29.762 0.024 0.000 1.379 318 H HN 0.401 nan 8.280 nan 0.000 0.501 319 D N 0.106 120.566 120.400 0.100 0.000 2.178 319 D HA -0.114 4.526 4.640 0.000 0.000 0.202 319 D C 2.341 178.636 176.300 -0.010 0.000 0.974 319 D CA 0.834 54.859 54.000 0.041 0.000 0.841 319 D CB -0.070 40.785 40.800 0.093 0.000 0.953 319 D HN 0.436 nan 8.370 nan 0.000 0.478 320 L N 0.199 121.423 121.223 0.001 0.000 2.023 320 L HA -0.065 4.275 4.340 0.000 0.000 0.205 320 L C 2.543 179.392 176.870 -0.036 0.000 1.073 320 L CA 0.597 55.434 54.840 -0.005 0.000 0.745 320 L CB -0.431 41.632 42.059 0.007 0.000 0.900 320 L HN 0.005 nan 8.230 nan 0.000 0.435 321 L N -0.250 120.939 121.223 -0.057 0.000 2.189 321 L HA -0.221 4.120 4.340 0.000 0.000 0.214 321 L C 1.894 178.707 176.870 -0.096 0.000 1.097 321 L CA 1.177 55.973 54.840 -0.073 0.000 0.764 321 L CB -0.254 41.758 42.059 -0.077 0.000 0.900 321 L HN 0.351 nan 8.230 nan 0.000 0.436 322 L N -0.676 120.465 121.223 -0.137 0.000 2.769 322 L HA 0.297 4.637 4.340 0.000 0.000 0.240 322 L C 1.042 177.880 176.870 -0.055 0.000 1.163 322 L CA -0.644 54.118 54.840 -0.130 0.000 0.962 322 L CB 0.073 41.981 42.059 -0.253 0.000 1.258 322 L HN 0.054 nan 8.230 nan 0.000 0.513 323 A N 0.892 123.697 122.820 -0.026 0.000 2.520 323 A HA 0.438 4.758 4.320 0.000 0.000 0.235 323 A C 0.833 178.442 177.584 0.043 0.000 1.065 323 A CA 0.169 52.221 52.037 0.024 0.000 0.764 323 A CB 0.224 19.243 19.000 0.033 0.000 1.002 323 A HN 0.320 nan 8.150 nan 0.000 0.502 324 A N 3.844 126.728 122.820 0.106 0.000 2.522 324 A HA 0.482 4.802 4.320 0.000 0.000 0.256 324 A C -2.000 175.642 177.584 0.096 0.000 1.086 324 A CA -0.878 51.250 52.037 0.151 0.000 0.763 324 A CB -0.572 18.592 19.000 0.274 0.000 1.024 324 A HN 0.644 nan 8.150 nan 0.000 0.502 325 P HA 0.230 nan 4.420 nan 0.000 0.276 325 P C 0.655 177.722 177.300 -0.389 0.000 1.243 325 P CA 0.248 63.254 63.100 -0.156 0.000 0.768 325 P CB 1.367 33.008 31.700 -0.099 0.000 0.856 326 A N 3.665 125.979 122.820 -0.843 0.000 2.019 326 A HA 0.257 4.577 4.320 0.000 0.000 0.219 326 A C 1.178 178.403 177.584 -0.597 0.000 1.164 326 A CA 1.574 52.688 52.037 -1.538 0.000 0.644 326 A CB -1.363 16.824 19.000 -1.355 0.000 0.805 326 A HN 0.869 nan 8.150 nan 0.000 0.449 327 G N -2.277 106.320 108.800 -0.337 0.000 2.498 327 G HA2 0.057 4.017 3.960 0.000 0.000 0.651 327 G HA3 0.057 4.017 3.960 0.000 0.000 0.651 327 G C -3.134 171.689 174.900 -0.128 0.000 1.284 327 G CA -0.477 44.525 45.100 -0.163 0.000 0.950 327 G HN 0.141 nan 8.290 nan 0.000 0.511 328 P HA 0.350 nan 4.420 nan 0.000 0.241 328 P C -0.165 177.105 177.300 -0.050 0.000 1.760 328 P CA 0.398 63.464 63.100 -0.056 0.000 1.081 328 P CB -0.345 31.336 31.700 -0.032 0.000 1.975 329 R N 1.499 121.958 120.500 -0.069 0.000 2.575 329 R HA 0.663 5.004 4.340 0.000 0.000 0.293 329 R C -0.173 176.093 176.300 -0.056 0.000 0.983 329 R CA -1.050 55.018 56.100 -0.053 0.000 0.887 329 R CB 2.003 32.270 30.300 -0.056 0.000 1.184 329 R HN 0.188 nan 8.270 nan 0.000 0.445 330 A N 2.105 124.903 122.820 -0.036 0.000 2.587 330 A HA 0.206 4.526 4.320 0.000 0.000 0.235 330 A C -0.217 177.341 177.584 -0.044 0.000 1.044 330 A CA 0.656 52.672 52.037 -0.035 0.000 0.754 330 A CB 0.106 19.101 19.000 -0.009 0.000 0.968 330 A HN 0.636 nan 8.150 nan 0.000 0.509 331 T N 1.999 116.519 114.554 -0.057 0.000 2.916 331 T HA 0.496 4.846 4.350 0.000 0.000 0.305 331 T C -0.927 173.734 174.700 -0.065 0.000 1.119 331 T CA -0.398 61.662 62.100 -0.067 0.000 1.008 331 T CB 1.336 70.148 68.868 -0.093 0.000 1.129 331 T HN 0.671 nan 8.240 nan 0.000 0.480 332 L N 2.620 123.806 121.223 -0.062 0.000 2.276 332 L HA 0.733 5.073 4.340 0.000 0.000 0.286 332 L C 0.345 177.169 176.870 -0.077 0.000 1.024 332 L CA 0.049 54.849 54.840 -0.066 0.000 0.826 332 L CB 0.474 42.497 42.059 -0.060 0.000 1.211 332 L HN 0.818 nan 8.230 nan 0.000 0.422 333 G N 6.080 114.827 108.800 -0.088 0.000 2.338 333 G HA2 0.589 4.549 3.960 0.000 0.000 0.298 333 G HA3 0.589 4.549 3.960 0.000 0.000 0.298 333 G C -1.167 173.680 174.900 -0.088 0.000 1.140 333 G CA -0.472 44.573 45.100 -0.091 0.000 0.860 333 G HN 0.552 nan 8.290 nan 0.000 0.470 334 L N 2.065 123.242 121.223 -0.076 0.000 2.404 334 L HA 0.326 4.666 4.340 0.000 0.000 0.272 334 L C -1.111 175.727 176.870 -0.054 0.000 0.980 334 L CA -0.893 53.903 54.840 -0.074 0.000 0.836 334 L CB 2.483 44.498 42.059 -0.073 0.000 1.238 334 L HN 0.459 nan 8.230 nan 0.000 0.408 335 D N 5.141 125.507 120.400 -0.057 0.000 2.443 335 D HA 0.344 4.985 4.640 0.000 0.000 0.221 335 D C -2.462 173.826 176.300 -0.018 0.000 1.097 335 D CA -1.753 52.226 54.000 -0.034 0.000 0.865 335 D CB 1.408 42.185 40.800 -0.037 0.000 1.034 335 D HN 0.097 nan 8.370 nan 0.000 0.511 336 P HA 0.190 nan 4.420 nan 0.000 0.265 336 P C 0.295 177.635 177.300 0.067 0.000 1.193 336 P CA -0.071 63.071 63.100 0.070 0.000 0.765 336 P CB 1.595 33.345 31.700 0.083 0.000 0.823 337 G N 1.913 110.778 108.800 0.109 0.000 2.682 337 G HA2 0.109 4.069 3.960 0.000 0.000 0.200 337 G HA3 0.109 4.069 3.960 0.000 0.000 0.200 337 G C 0.702 175.684 174.900 0.137 0.000 1.179 337 G CA 0.624 45.776 45.100 0.087 0.000 0.718 337 G HN 0.600 nan 8.290 nan 0.000 0.685 338 L N -0.648 120.718 121.223 0.238 0.000 3.419 338 L HA -0.432 3.909 4.340 0.000 0.000 0.211 338 L C 2.537 179.504 176.870 0.161 0.000 4.425 338 L CA 2.713 57.691 54.840 0.230 0.000 0.584 338 L CB -1.089 41.053 42.059 0.138 0.000 3.534 338 L HN 0.369 nan 8.230 nan 0.000 0.751 339 R N -0.338 120.228 120.500 0.111 0.000 2.205 339 R HA -0.158 4.183 4.340 0.000 0.000 0.221 339 R C 1.413 177.785 176.300 0.119 0.000 1.101 339 R CA 2.604 58.760 56.100 0.093 0.000 0.869 339 R CB -1.189 29.149 30.300 0.064 0.000 0.815 339 R HN 0.749 nan 8.270 nan 0.000 0.434 340 T N -1.147 113.466 114.554 0.098 0.000 3.278 340 T HA 0.386 4.737 4.350 0.000 0.000 0.251 340 T C 0.773 175.520 174.700 0.079 0.000 1.039 340 T CA -0.126 62.040 62.100 0.111 0.000 0.935 340 T CB 0.053 68.957 68.868 0.059 0.000 1.034 340 T HN 0.688 nan 8.240 nan 0.000 0.575 341 G N 1.014 109.858 108.800 0.074 0.000 2.855 341 G HA2 -0.111 3.849 3.960 0.000 0.000 0.352 341 G HA3 -0.111 3.849 3.960 0.000 0.000 0.352 341 G C -0.602 174.173 174.900 -0.208 0.000 1.415 341 G CA -0.585 44.406 45.100 -0.183 0.000 0.871 341 G HN 0.705 nan 8.290 nan 0.000 0.543 342 V N 1.721 121.443 119.914 -0.319 0.000 2.481 342 V HA 0.519 4.639 4.120 0.000 0.000 0.286 342 V C 0.142 176.098 176.094 -0.230 0.000 1.042 342 V CA -0.763 61.407 62.300 -0.217 0.000 0.928 342 V CB 1.687 33.374 31.823 -0.227 0.000 0.986 342 V HN 0.667 nan 8.190 nan 0.000 0.462 343 K N 4.244 124.554 120.400 -0.150 0.000 2.234 343 K HA 0.569 4.889 4.320 0.000 0.000 0.277 343 K C -0.686 175.840 176.600 -0.123 0.000 1.038 343 K CA -0.421 55.785 56.287 -0.135 0.000 0.888 343 K CB 1.693 34.134 32.500 -0.097 0.000 1.091 343 K HN 0.394 nan 8.250 nan 0.000 0.467 344 V N 1.109 120.947 119.914 -0.126 0.000 2.612 344 V HA 0.796 4.916 4.120 0.000 0.000 0.301 344 V C -0.021 176.010 176.094 -0.105 0.000 1.046 344 V CA -0.949 61.284 62.300 -0.113 0.000 0.946 344 V CB 1.574 33.330 31.823 -0.112 0.000 1.003 344 V HN 0.903 nan 8.190 nan 0.000 0.459 345 A N 2.926 125.684 122.820 -0.103 0.000 2.574 345 A HA 0.847 5.167 4.320 0.000 0.000 0.297 345 A C -1.423 176.102 177.584 -0.098 0.000 1.062 345 A CA -0.509 51.460 52.037 -0.113 0.000 0.686 345 A CB 2.050 20.959 19.000 -0.152 0.000 1.285 345 A HN 0.679 nan 8.150 nan 0.000 0.403 346 V N 1.867 121.722 119.914 -0.097 0.000 2.487 346 V HA 0.677 4.798 4.120 0.000 0.000 0.298 346 V C -0.237 175.778 176.094 -0.131 0.000 1.028 346 V CA -0.538 61.705 62.300 -0.094 0.000 0.860 346 V CB 1.369 33.160 31.823 -0.053 0.000 0.991 346 V HN 1.375 nan 8.190 nan 0.000 0.427 347 V N 1.198 121.046 119.914 -0.110 0.000 2.588 347 V HA 0.741 4.861 4.120 0.000 0.000 0.304 347 V C -0.240 175.801 176.094 -0.088 0.000 1.042 347 V CA -0.725 61.516 62.300 -0.098 0.000 0.877 347 V CB 1.801 33.575 31.823 -0.081 0.000 0.996 347 V HN 0.854 nan 8.190 nan 0.000 0.425 348 D N 4.645 124.994 120.400 -0.085 0.000 2.380 348 D HA 0.304 4.944 4.640 0.000 0.000 0.254 348 D C 1.386 177.657 176.300 -0.048 0.000 1.288 348 D CA 0.199 54.161 54.000 -0.063 0.000 1.008 348 D CB 1.016 41.782 40.800 -0.057 0.000 1.099 348 D HN 0.843 nan 8.370 nan 0.000 0.537 349 A N -0.793 122.005 122.820 -0.036 0.000 2.076 349 A HA -0.123 4.197 4.320 0.000 0.000 0.220 349 A C 1.910 179.472 177.584 -0.036 0.000 1.160 349 A CA 2.344 54.360 52.037 -0.036 0.000 0.653 349 A CB -1.158 17.828 19.000 -0.024 0.000 0.801 349 A HN 0.740 nan 8.150 nan 0.000 0.455 350 T N -5.443 109.093 114.554 -0.030 0.000 3.086 350 T HA 0.429 4.779 4.350 0.000 0.000 0.250 350 T C 1.354 176.041 174.700 -0.022 0.000 1.074 350 T CA 0.999 63.085 62.100 -0.023 0.000 0.988 350 T CB 0.285 69.145 68.868 -0.013 0.000 0.988 350 T HN 1.626 nan 8.240 nan 0.000 0.530 351 G N 1.264 110.046 108.800 -0.030 0.000 2.175 351 G HA2 -0.267 3.693 3.960 0.000 0.000 0.244 351 G HA3 -0.267 3.693 3.960 0.000 0.000 0.244 351 G C 0.055 174.960 174.900 0.009 0.000 0.982 351 G CA 0.093 45.179 45.100 -0.023 0.000 0.641 351 G HN 0.822 nan 8.290 nan 0.000 0.527 352 K N 0.622 121.024 120.400 0.004 0.000 2.448 352 K HA 0.488 4.808 4.320 0.000 0.000 0.278 352 K C 0.457 177.063 176.600 0.009 0.000 1.009 352 K CA -0.514 55.788 56.287 0.024 0.000 0.995 352 K CB 0.375 32.873 32.500 -0.002 0.000 0.917 352 K HN 0.361 nan 8.250 nan 0.000 0.481 353 L N 5.960 127.228 121.223 0.074 0.000 2.367 353 L HA 0.198 4.538 4.340 0.000 0.000 0.275 353 L C 0.016 176.856 176.870 -0.050 0.000 1.129 353 L CA 0.557 55.407 54.840 0.018 0.000 0.839 353 L CB 0.502 42.627 42.059 0.109 0.000 1.133 353 L HN 0.872 nan 8.230 nan 0.000 0.453 354 L N 2.623 123.751 121.223 -0.159 0.000 2.609 354 L HA 0.433 4.773 4.340 0.000 0.000 0.230 354 L C -0.249 176.506 176.870 -0.192 0.000 1.064 354 L CA 0.058 54.729 54.840 -0.282 0.000 0.873 354 L CB 0.249 41.888 42.059 -0.700 0.000 1.139 354 L HN 0.598 nan 8.230 nan 0.000 0.490 355 D N -0.860 119.466 120.400 -0.124 0.000 2.720 355 D HA 0.260 4.901 4.640 0.000 0.000 0.239 355 D C -1.062 175.212 176.300 -0.043 0.000 1.218 355 D CA 0.005 53.989 54.000 -0.027 0.000 0.748 355 D CB 2.008 42.859 40.800 0.084 0.000 1.387 355 D HN -0.004 nan 8.370 nan 0.000 0.438 356 T N -0.919 113.614 114.554 -0.034 0.000 2.910 356 T HA 1.026 5.377 4.350 0.000 0.000 0.287 356 T C -0.580 174.093 174.700 -0.045 0.000 1.050 356 T CA -0.441 61.625 62.100 -0.056 0.000 1.011 356 T CB 1.974 70.801 68.868 -0.067 0.000 1.195 356 T HN 0.752 nan 8.240 nan 0.000 0.540 357 A N 0.179 122.960 122.820 -0.064 0.000 2.567 357 A HA 0.676 4.996 4.320 0.000 0.000 0.291 357 A C -0.902 176.619 177.584 -0.104 0.000 1.048 357 A CA -0.981 51.016 52.037 -0.067 0.000 0.661 357 A CB 0.955 19.916 19.000 -0.065 0.000 1.288 357 A HN 0.968 nan 8.150 nan 0.000 0.424 358 T N 1.714 116.198 114.554 -0.116 0.000 3.009 358 T HA 0.547 4.898 4.350 0.000 0.000 0.346 358 T C 0.034 174.536 174.700 -0.330 0.000 1.092 358 T CA -0.078 61.885 62.100 -0.228 0.000 1.080 358 T CB 0.322 69.079 68.868 -0.184 0.000 1.037 358 T HN 1.563 nan 8.240 nan 0.000 0.487 359 V N 0.727 120.416 119.914 -0.375 0.000 3.134 359 V HA 0.661 4.781 4.120 0.000 0.000 0.313 359 V C -0.818 174.930 176.094 -0.577 0.000 1.069 359 V CA -0.827 61.286 62.300 -0.312 0.000 1.048 359 V CB 0.766 32.462 31.823 -0.213 0.000 1.119 359 V HN 0.780 nan 8.190 nan 0.000 0.461 360 Y N 0.707 120.951 120.300 -0.094 0.000 2.501 360 Y HA 0.400 4.950 4.550 0.000 0.000 0.331 360 Y C -1.922 173.937 175.900 -0.070 0.000 0.950 360 Y CA -1.519 56.536 58.100 -0.075 0.000 1.120 360 Y CB 0.970 39.417 38.460 -0.021 0.000 1.154 360 Y HN 0.500 nan 8.280 nan 0.000 0.630 361 P HA -0.145 nan 4.420 nan 0.000 0.218 361 P C 0.324 177.774 177.300 0.250 0.000 1.149 361 P CA 1.576 64.666 63.100 -0.015 0.000 0.817 361 P CB 0.507 32.000 31.700 -0.345 0.000 0.785 362 H N -0.733 118.486 119.070 0.248 0.000 2.344 362 H HA 0.365 4.921 4.556 0.000 0.000 0.333 362 H C 1.845 177.276 175.328 0.171 0.000 1.607 362 H CA -0.098 56.091 56.048 0.234 0.000 1.455 362 H CB -0.289 29.579 29.762 0.177 0.000 1.716 362 H HN -0.079 nan 8.280 nan 0.000 0.646 363 A N 0.786 123.770 122.820 0.273 0.000 1.849 363 A HA -0.123 4.197 4.320 0.000 0.000 0.217 363 A C -0.365 177.292 177.584 0.122 0.000 1.202 363 A CA 1.803 53.929 52.037 0.147 0.000 0.629 363 A CB -1.827 17.225 19.000 0.087 0.000 0.834 363 A HN 0.541 nan 8.150 nan 0.000 0.447 364 P HA -0.079 nan 4.420 nan 0.000 0.227 364 P C 0.438 177.777 177.300 0.065 0.000 1.145 364 P CA 1.562 64.713 63.100 0.085 0.000 0.769 364 P CB 0.044 31.802 31.700 0.096 0.000 0.769 365 K N -0.848 119.609 120.400 0.096 0.000 3.513 365 K HA 0.077 4.397 4.320 0.000 0.000 0.164 365 K C -0.479 176.184 176.600 0.104 0.000 1.041 365 K CA -0.536 55.781 56.287 0.051 0.000 0.761 365 K CB -0.455 32.014 32.500 -0.051 0.000 0.811 365 K HN -0.218 nan 8.250 nan 0.000 0.510 366 N N 1.970 120.742 118.700 0.120 0.000 2.036 366 N HA -0.194 4.546 4.740 0.000 0.000 0.288 366 N C -0.727 174.874 175.510 0.152 0.000 1.293 366 N CA 1.507 54.649 53.050 0.154 0.000 0.808 366 N CB 0.431 38.988 38.487 0.117 0.000 1.040 366 N HN 0.533 nan 8.380 nan 0.000 0.489 367 Q N 2.858 122.777 119.800 0.199 0.000 2.925 367 Q HA 0.041 4.381 4.340 0.000 0.000 0.276 367 Q C 0.098 176.210 176.000 0.186 0.000 0.711 367 Q CA -0.448 55.453 55.803 0.163 0.000 1.021 367 Q CB -0.202 28.610 28.738 0.122 0.000 1.494 367 Q HN 0.747 nan 8.270 nan 0.000 0.367 368 W N 0.715 122.038 121.300 0.039 0.000 2.333 368 W HA -0.214 4.446 4.660 0.000 0.000 0.316 368 W C 1.179 177.719 176.519 0.035 0.000 1.215 368 W CA 2.607 59.975 57.345 0.038 0.000 1.278 368 W CB 0.258 29.749 29.460 0.053 0.000 1.154 368 W HN 0.529 nan 8.180 nan 0.000 0.486 369 D N -0.177 120.366 120.400 0.239 0.000 2.097 369 D HA -0.275 4.365 4.640 0.000 0.000 0.195 369 D C 2.176 178.505 176.300 0.049 0.000 0.989 369 D CA 1.974 56.054 54.000 0.134 0.000 0.827 369 D CB -0.544 40.339 40.800 0.137 0.000 0.966 369 D HN 0.238 nan 8.370 nan 0.000 0.456 370 Q N -0.637 119.191 119.800 0.047 0.000 2.050 370 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 370 Q C 1.864 177.845 176.000 -0.030 0.000 0.980 370 Q CA 2.089 57.903 55.803 0.018 0.000 0.840 370 Q CB -0.196 28.562 28.738 0.034 0.000 0.898 370 Q HN 0.231 nan 8.270 nan 0.000 0.424 371 T N 1.691 116.202 114.554 -0.071 0.000 2.684 371 T HA -0.159 4.191 4.350 0.000 0.000 0.267 371 T C 1.823 176.423 174.700 -0.166 0.000 1.036 371 T CA 1.477 63.492 62.100 -0.143 0.000 1.148 371 T CB -0.313 68.413 68.868 -0.236 0.000 0.863 371 T HN 0.264 nan 8.240 nan 0.000 0.436 372 L N 0.706 121.820 121.223 -0.182 0.000 2.081 372 L HA -0.177 4.163 4.340 0.000 0.000 0.212 372 L C 2.986 179.789 176.870 -0.111 0.000 1.080 372 L CA 1.388 56.141 54.840 -0.145 0.000 0.754 372 L CB -0.652 41.361 42.059 -0.076 0.000 0.893 372 L HN 0.273 nan 8.230 nan 0.000 0.433 373 A N -0.697 122.083 122.820 -0.067 0.000 1.968 373 A HA -0.077 4.243 4.320 0.000 0.000 0.217 373 A C 2.319 179.833 177.584 -0.117 0.000 1.169 373 A CA 1.165 53.157 52.037 -0.074 0.000 0.638 373 A CB -0.575 18.418 19.000 -0.012 0.000 0.812 373 A HN 0.176 nan 8.150 nan 0.000 0.446 374 V N 0.323 120.176 119.914 -0.102 0.000 2.295 374 V HA -0.276 3.844 4.120 0.000 0.000 0.246 374 V C 2.576 178.592 176.094 -0.130 0.000 1.049 374 V CA 2.109 64.349 62.300 -0.101 0.000 1.024 374 V CB -0.797 30.974 31.823 -0.087 0.000 0.648 374 V HN 0.575 nan 8.190 nan 0.000 0.447 375 L N 0.055 121.184 121.223 -0.155 0.000 2.027 375 L HA -0.097 4.243 4.340 0.000 0.000 0.206 375 L C 2.775 179.519 176.870 -0.210 0.000 1.074 375 L CA 1.540 56.281 54.840 -0.164 0.000 0.745 375 L CB -0.947 41.010 42.059 -0.169 0.000 0.898 375 L HN 0.333 nan 8.230 nan 0.000 0.433 376 A N 0.245 122.877 122.820 -0.314 0.000 1.948 376 A HA -0.224 4.096 4.320 0.000 0.000 0.220 376 A C 2.527 179.910 177.584 -0.336 0.000 1.177 376 A CA 1.930 53.667 52.037 -0.500 0.000 0.636 376 A CB -0.709 17.676 19.000 -1.024 0.000 0.815 376 A HN 0.431 nan 8.150 nan 0.000 0.449 377 A N -0.313 122.362 122.820 -0.242 0.000 1.877 377 A HA -0.023 4.298 4.320 0.000 0.000 0.216 377 A C 2.168 179.645 177.584 -0.178 0.000 1.186 377 A CA 1.493 53.424 52.037 -0.178 0.000 0.620 377 A CB -0.601 18.320 19.000 -0.132 0.000 0.822 377 A HN 0.472 nan 8.150 nan 0.000 0.443 378 L N -0.813 120.319 121.223 -0.152 0.000 2.046 378 L HA -0.245 4.095 4.340 0.000 0.000 0.208 378 L C 2.741 179.548 176.870 -0.105 0.000 1.077 378 L CA 1.329 56.099 54.840 -0.117 0.000 0.747 378 L CB -0.691 41.342 42.059 -0.044 0.000 0.896 378 L HN 0.490 nan 8.230 nan 0.000 0.432 379 C N -0.469 118.764 119.300 -0.110 0.000 2.453 379 C HA -0.112 4.348 4.460 0.000 0.000 0.277 379 C C 3.154 178.092 174.990 -0.086 0.000 1.262 379 C CA 0.623 59.592 59.018 -0.081 0.000 1.718 379 C CB -1.065 26.612 27.740 -0.105 0.000 2.031 379 C HN 0.619 nan 8.230 nan 0.000 0.480 380 A N 0.635 123.378 122.820 -0.128 0.000 1.858 380 A HA -0.244 4.076 4.320 0.000 0.000 0.216 380 A C 2.211 179.720 177.584 -0.125 0.000 1.190 380 A CA 2.136 54.108 52.037 -0.108 0.000 0.617 380 A CB -0.682 18.248 19.000 -0.116 0.000 0.827 380 A HN 0.675 nan 8.150 nan 0.000 0.443 381 K N -1.317 118.957 120.400 -0.210 0.000 2.020 381 K HA -0.227 4.093 4.320 0.000 0.000 0.212 381 K C 1.188 177.594 176.600 -0.324 0.000 1.050 381 K CA 1.845 57.928 56.287 -0.341 0.000 0.929 381 K CB -0.238 31.912 32.500 -0.583 0.000 0.714 381 K HN 0.642 nan 8.250 nan 0.000 0.443 382 H N -0.063 118.983 119.070 -0.040 0.000 2.520 382 H HA 0.127 4.684 4.556 0.000 0.000 0.284 382 H C -0.170 175.138 175.328 -0.032 0.000 1.037 382 H CA 0.110 56.137 56.048 -0.034 0.000 1.168 382 H CB 0.714 30.454 29.762 -0.038 0.000 1.497 382 H HN 0.248 nan 8.280 nan 0.000 0.547 383 Q N -0.092 119.733 119.800 0.041 0.000 2.463 383 Q HA -0.128 4.212 4.340 0.000 0.000 0.299 383 Q C -0.514 175.499 176.000 0.022 0.000 1.353 383 Q CA 0.165 55.981 55.803 0.021 0.000 0.828 383 Q CB -1.969 26.783 28.738 0.024 0.000 1.157 383 Q HN 0.156 nan 8.270 nan 0.000 0.436 384 V N 0.746 120.670 119.914 0.015 0.000 2.585 384 V HA -0.064 4.057 4.120 0.000 0.000 0.296 384 V C 1.521 177.613 176.094 -0.002 0.000 1.035 384 V CA 0.785 63.087 62.300 0.003 0.000 1.084 384 V CB 1.181 32.998 31.823 -0.009 0.000 0.953 384 V HN 0.447 nan 8.190 nan 0.000 0.483 385 E N 3.910 124.108 120.200 -0.003 0.000 2.206 385 E HA 0.235 4.585 4.350 0.000 0.000 0.195 385 E C -0.144 176.458 176.600 0.004 0.000 0.935 385 E CA 0.220 56.624 56.400 0.007 0.000 0.875 385 E CB 0.423 30.130 29.700 0.012 0.000 0.841 385 E HN 0.509 nan 8.360 nan 0.000 0.477 386 L N 1.489 122.702 121.223 -0.016 0.000 2.330 386 L HA 0.496 4.836 4.340 0.000 0.000 0.271 386 L C -0.351 176.494 176.870 -0.041 0.000 1.013 386 L CA -0.696 54.128 54.840 -0.027 0.000 0.816 386 L CB 2.110 44.136 42.059 -0.055 0.000 1.287 386 L HN -0.035 nan 8.230 nan 0.000 0.435 387 I N 2.151 122.696 120.570 -0.041 0.000 2.420 387 I HA 0.405 4.575 4.170 0.000 0.000 0.282 387 I C -0.138 175.945 176.117 -0.056 0.000 1.019 387 I CA -0.420 60.851 61.300 -0.048 0.000 1.130 387 I CB 1.806 39.786 38.000 -0.035 0.000 1.262 387 I HN 0.625 nan 8.210 nan 0.000 0.454 388 A N 8.371 131.150 122.820 -0.069 0.000 2.289 388 A HA 0.770 5.090 4.320 0.000 0.000 0.298 388 A C -0.402 177.149 177.584 -0.054 0.000 1.208 388 A CA -0.264 51.730 52.037 -0.071 0.000 0.845 388 A CB 0.288 19.235 19.000 -0.089 0.000 1.125 388 A HN 0.688 nan 8.150 nan 0.000 0.517 389 I N 2.640 123.188 120.570 -0.037 0.000 2.436 389 I HA 0.407 4.577 4.170 0.000 0.000 0.289 389 I C 0.947 177.057 176.117 -0.012 0.000 1.010 389 I CA -0.716 60.572 61.300 -0.020 0.000 1.098 389 I CB 1.977 39.977 38.000 0.001 0.000 1.266 389 I HN 0.720 nan 8.210 nan 0.000 0.434 390 G N 3.280 112.073 108.800 -0.012 0.000 2.441 390 G HA2 0.014 3.974 3.960 0.000 0.000 0.243 390 G HA3 0.014 3.974 3.960 0.000 0.000 0.243 390 G C 0.543 175.448 174.900 0.009 0.000 1.281 390 G CA -0.424 44.673 45.100 -0.006 0.000 0.854 390 G HN 0.843 nan 8.290 nan 0.000 0.560 391 N N 1.812 120.519 118.700 0.011 0.000 2.484 391 N HA 0.145 4.885 4.740 0.000 0.000 0.245 391 N C 0.780 176.300 175.510 0.015 0.000 1.184 391 N CA -0.004 53.056 53.050 0.017 0.000 0.884 391 N CB 0.383 38.882 38.487 0.019 0.000 1.182 391 N HN 0.461 nan 8.380 nan 0.000 0.493 392 G N -0.594 108.215 108.800 0.015 0.000 2.574 392 G HA2 0.257 4.217 3.960 0.000 0.000 0.248 392 G HA3 0.257 4.217 3.960 0.000 0.000 0.248 392 G C -0.616 174.294 174.900 0.017 0.000 1.422 392 G CA -0.497 44.612 45.100 0.015 0.000 1.051 392 G HN 0.188 nan 8.290 nan 0.000 0.560 393 T N 0.837 115.402 114.554 0.018 0.000 2.867 393 T HA 0.384 4.735 4.350 0.000 0.000 0.297 393 T C 1.010 175.723 174.700 0.022 0.000 0.989 393 T CA 1.560 63.670 62.100 0.017 0.000 1.159 393 T CB 0.553 69.433 68.868 0.020 0.000 0.928 393 T HN 1.808 nan 8.240 nan 0.000 0.538 394 A N 2.916 125.732 122.820 -0.007 0.000 2.945 394 A HA -0.208 4.113 4.320 0.000 0.000 0.251 394 A C 1.877 179.457 177.584 -0.006 0.000 1.355 394 A CA 1.106 53.109 52.037 -0.058 0.000 0.905 394 A CB -2.532 16.428 19.000 -0.066 0.000 1.104 394 A HN 1.154 nan 8.150 nan 0.000 0.733 395 S N -0.063 115.649 115.700 0.019 0.000 2.368 395 S HA -0.189 4.281 4.470 0.000 0.000 0.224 395 S C 1.775 176.403 174.600 0.046 0.000 1.029 395 S CA 1.212 59.436 58.200 0.041 0.000 0.988 395 S CB -0.414 62.805 63.200 0.031 0.000 0.838 395 S HN 0.804 nan 8.310 nan 0.000 0.462 396 R N 1.545 122.058 120.500 0.022 0.000 2.083 396 R HA -0.048 4.292 4.340 0.000 0.000 0.237 396 R C 2.534 178.866 176.300 0.053 0.000 1.137 396 R CA 1.532 57.650 56.100 0.030 0.000 0.951 396 R CB -0.496 29.807 30.300 0.006 0.000 0.851 396 R HN 0.492 nan 8.270 nan 0.000 0.434 397 E N 0.462 120.657 120.200 -0.010 0.000 2.049 397 E HA -0.188 4.163 4.350 0.000 0.000 0.198 397 E C 2.125 178.903 176.600 0.297 0.000 1.007 397 E CA 1.948 58.345 56.400 -0.005 0.000 0.809 397 E CB -0.634 28.711 29.700 -0.592 0.000 0.749 397 E HN 0.346 nan 8.360 nan 0.000 0.450 398 T N 1.496 116.204 114.554 0.257 0.000 2.708 398 T HA -0.181 4.169 4.350 0.000 0.000 0.266 398 T C 1.632 176.427 174.700 0.157 0.000 1.037 398 T CA 1.681 63.941 62.100 0.266 0.000 1.146 398 T CB -0.466 68.510 68.868 0.181 0.000 0.865 398 T HN 0.142 nan 8.240 nan 0.000 0.435 399 D N 0.878 121.357 120.400 0.131 0.000 2.158 399 D HA -0.106 4.534 4.640 0.000 0.000 0.197 399 D C 2.156 178.539 176.300 0.139 0.000 0.995 399 D CA 1.166 55.229 54.000 0.105 0.000 0.846 399 D CB -0.079 40.774 40.800 0.088 0.000 0.941 399 D HN 0.277 nan 8.370 nan 0.000 0.456 400 K N -0.349 120.182 120.400 0.219 0.000 2.009 400 K HA -0.127 4.193 4.320 0.000 0.000 0.210 400 K C 2.375 179.169 176.600 0.322 0.000 1.049 400 K CA 0.800 57.270 56.287 0.305 0.000 0.929 400 K CB -0.322 32.430 32.500 0.420 0.000 0.714 400 K HN 0.240 nan 8.250 nan 0.000 0.440 401 L N 0.571 121.927 121.223 0.223 0.000 1.978 401 L HA -0.304 4.036 4.340 0.000 0.000 0.218 401 L C 2.606 179.439 176.870 -0.061 0.000 1.075 401 L CA 1.609 56.336 54.840 -0.188 0.000 0.767 401 L CB -0.650 41.101 42.059 -0.513 0.000 0.890 401 L HN 0.262 nan 8.230 nan 0.000 0.434 402 A N 0.091 122.901 122.820 -0.017 0.000 1.859 402 A HA -0.210 4.111 4.320 0.000 0.000 0.217 402 A C 2.389 179.998 177.584 0.043 0.000 1.198 402 A CA 2.069 54.106 52.037 0.000 0.000 0.629 402 A CB -1.571 17.435 19.000 0.011 0.000 0.830 402 A HN 0.492 nan 8.150 nan 0.000 0.446 403 G N -0.754 108.090 108.800 0.074 0.000 2.469 403 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 403 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 403 G C 1.444 176.400 174.900 0.093 0.000 1.136 403 G CA 1.129 46.280 45.100 0.085 0.000 0.759 403 G HN 0.697 nan 8.290 nan 0.000 0.562 404 E N -0.445 119.823 120.200 0.114 0.000 2.112 404 E HA -0.019 4.331 4.350 0.000 0.000 0.190 404 E C 2.391 179.059 176.600 0.113 0.000 0.979 404 E CA 0.460 56.937 56.400 0.127 0.000 0.814 404 E CB -0.152 29.670 29.700 0.204 0.000 0.762 404 E HN 0.352 nan 8.360 nan 0.000 0.460 405 L N 1.394 122.674 121.223 0.095 0.000 2.042 405 L HA -0.178 4.162 4.340 0.000 0.000 0.210 405 L C 2.021 179.011 176.870 0.200 0.000 1.076 405 L CA 1.575 56.507 54.840 0.153 0.000 0.749 405 L CB -0.206 41.874 42.059 0.036 0.000 0.893 405 L HN 0.095 nan 8.230 nan 0.000 0.432 406 I N -0.728 119.912 120.570 0.116 0.000 2.315 406 I HA -0.226 3.944 4.170 0.000 0.000 0.248 406 I C 2.324 178.498 176.117 0.094 0.000 1.117 406 I CA 1.090 62.452 61.300 0.103 0.000 1.404 406 I CB -0.321 37.723 38.000 0.074 0.000 1.071 406 I HN 0.219 nan 8.210 nan 0.000 0.419 407 K N 1.528 121.973 120.400 0.075 0.000 2.228 407 K HA -0.068 4.252 4.320 0.000 0.000 0.202 407 K C 1.769 178.364 176.600 -0.008 0.000 1.051 407 K CA 1.350 57.661 56.287 0.040 0.000 0.960 407 K CB 0.040 32.565 32.500 0.042 0.000 0.743 407 K HN 0.164 nan 8.250 nan 0.000 0.458 408 K N -1.226 119.157 120.400 -0.029 0.000 2.356 408 K HA 0.044 4.364 4.320 0.000 0.000 0.195 408 K C -0.228 176.040 176.600 -0.554 0.000 1.037 408 K CA 0.512 56.640 56.287 -0.264 0.000 1.014 408 K CB 0.363 32.692 32.500 -0.285 0.000 0.815 408 K HN 0.065 nan 8.250 nan 0.000 0.507 409 Y N 0.482 120.786 120.300 0.007 0.000 2.470 409 Y HA 0.199 4.749 4.550 0.000 0.000 0.352 409 Y C -1.999 173.905 175.900 0.006 0.000 0.967 409 Y CA -2.069 56.032 58.100 0.002 0.000 1.121 409 Y CB 0.853 39.309 38.460 -0.007 0.000 1.149 409 Y HN -0.013 nan 8.280 nan 0.000 0.641 410 P HA -0.105 nan 4.420 nan 0.000 0.228 410 P C 1.528 178.865 177.300 0.062 0.000 1.151 410 P CA 1.210 64.347 63.100 0.061 0.000 0.770 410 P CB 0.303 32.020 31.700 0.028 0.000 0.786 411 G N -0.304 108.541 108.800 0.075 0.000 2.598 411 G HA2 -0.128 3.832 3.960 0.000 0.000 0.215 411 G HA3 -0.128 3.832 3.960 0.000 0.000 0.215 411 G C 1.378 176.316 174.900 0.063 0.000 1.131 411 G CA 0.215 45.353 45.100 0.063 0.000 0.785 411 G HN 0.246 nan 8.290 nan 0.000 0.539 412 M N -0.595 119.052 119.600 0.079 0.000 2.492 412 M HA 0.226 4.706 4.480 0.000 0.000 0.255 412 M C 0.396 176.723 176.300 0.045 0.000 1.139 412 M CA 0.155 55.486 55.300 0.053 0.000 1.096 412 M CB 0.294 32.922 32.600 0.046 0.000 1.360 412 M HN -0.053 nan 8.290 nan 0.000 0.480 413 K N 2.351 122.783 120.400 0.053 0.000 3.653 413 K HA -0.146 4.174 4.320 0.000 0.000 0.275 413 K C -1.115 175.513 176.600 0.046 0.000 0.962 413 K CA 0.297 56.613 56.287 0.048 0.000 0.773 413 K CB -2.012 30.513 32.500 0.041 0.000 1.463 413 K HN 0.399 nan 8.250 nan 0.000 0.450 414 L N 0.683 121.936 121.223 0.050 0.000 2.334 414 L HA 0.352 4.692 4.340 0.000 0.000 0.277 414 L C 0.714 177.614 176.870 0.050 0.000 1.075 414 L CA -0.462 54.403 54.840 0.041 0.000 0.804 414 L CB 1.481 43.561 42.059 0.035 0.000 1.174 414 L HN 0.079 nan 8.230 nan 0.000 0.438 415 T N 1.447 116.028 114.554 0.046 0.000 2.824 415 T HA 0.369 4.719 4.350 0.000 0.000 0.282 415 T C -0.539 174.177 174.700 0.027 0.000 0.993 415 T CA -0.921 61.213 62.100 0.056 0.000 0.967 415 T CB 1.574 70.490 68.868 0.080 0.000 0.960 415 T HN 0.553 nan 8.240 nan 0.000 0.441 416 K N 2.372 122.793 120.400 0.034 0.000 2.159 416 K HA 0.761 5.081 4.320 0.000 0.000 0.266 416 K C -1.219 175.369 176.600 -0.019 0.000 0.975 416 K CA -0.761 55.531 56.287 0.009 0.000 0.865 416 K CB 0.910 33.429 32.500 0.032 0.000 1.087 416 K HN 0.330 nan 8.250 nan 0.000 0.446 417 I N 2.742 123.268 120.570 -0.074 0.000 2.582 417 I HA 0.245 4.415 4.170 0.000 0.000 0.292 417 I C -0.629 175.457 176.117 -0.051 0.000 1.066 417 I CA -0.924 60.292 61.300 -0.139 0.000 1.053 417 I CB 2.082 39.880 38.000 -0.336 0.000 1.241 417 I HN 0.598 nan 8.210 nan 0.000 0.421 418 M N 5.389 124.995 119.600 0.009 0.000 2.185 418 M HA 0.443 4.923 4.480 0.000 0.000 0.357 418 M C -0.549 175.761 176.300 0.016 0.000 1.260 418 M CA -0.373 54.943 55.300 0.026 0.000 1.124 418 M CB 0.976 33.612 32.600 0.060 0.000 1.600 418 M HN 0.219 nan 8.290 nan 0.000 0.467 419 V N 1.883 121.796 119.914 -0.001 0.000 2.628 419 V HA 0.344 4.464 4.120 0.000 0.000 0.306 419 V C 0.346 176.440 176.094 -0.001 0.000 1.045 419 V CA -1.031 61.264 62.300 -0.009 0.000 0.905 419 V CB 2.018 33.819 31.823 -0.036 0.000 0.997 419 V HN 0.941 nan 8.190 nan 0.000 0.436 420 S N 2.113 117.814 115.700 0.002 0.000 2.525 420 S HA 0.021 4.491 4.470 0.000 0.000 0.285 420 S C 0.896 175.493 174.600 -0.006 0.000 1.283 420 S CA 0.053 58.254 58.200 0.002 0.000 1.072 420 S CB 0.354 63.557 63.200 0.004 0.000 0.867 420 S HN 0.914 nan 8.310 nan 0.000 0.492 421 E N 4.242 124.441 120.200 -0.001 0.000 2.474 421 E HA 0.101 4.451 4.350 0.000 0.000 0.195 421 E C 1.603 178.206 176.600 0.004 0.000 1.039 421 E CA 0.576 56.975 56.400 -0.002 0.000 0.881 421 E CB -0.109 29.592 29.700 0.001 0.000 0.970 421 E HN 0.803 nan 8.360 nan 0.000 0.486 422 A N 0.816 123.638 122.820 0.003 0.000 1.877 422 A HA -0.077 4.243 4.320 0.000 0.000 0.216 422 A C 2.369 179.960 177.584 0.012 0.000 1.186 422 A CA 1.757 53.797 52.037 0.005 0.000 0.620 422 A CB -1.134 17.866 19.000 -0.001 0.000 0.822 422 A HN 0.373 nan 8.150 nan 0.000 0.443 423 G N -0.774 108.032 108.800 0.010 0.000 2.422 423 G HA2 0.059 4.020 3.960 0.000 0.000 0.218 423 G HA3 0.059 4.020 3.960 0.000 0.000 0.218 423 G C 1.651 176.582 174.900 0.051 0.000 1.140 423 G CA 1.291 46.404 45.100 0.021 0.000 0.775 423 G HN 0.799 nan 8.290 nan 0.000 0.545 424 A N 1.249 124.091 122.820 0.037 0.000 1.969 424 A HA 0.033 4.353 4.320 0.000 0.000 0.218 424 A C 2.713 180.366 177.584 0.115 0.000 1.169 424 A CA 2.236 54.317 52.037 0.072 0.000 0.635 424 A CB -0.590 18.421 19.000 0.018 0.000 0.810 424 A HN 0.673 nan 8.150 nan 0.000 0.445 425 S N -0.184 115.554 115.700 0.064 0.000 2.368 425 S HA -0.126 4.344 4.470 0.000 0.000 0.224 425 S C 1.761 176.389 174.600 0.048 0.000 1.029 425 S CA 1.462 59.690 58.200 0.046 0.000 0.988 425 S CB -0.966 62.249 63.200 0.024 0.000 0.838 425 S HN 0.260 nan 8.310 nan 0.000 0.462 426 V N 1.051 120.998 119.914 0.056 0.000 2.343 426 V HA -0.148 3.973 4.120 0.000 0.000 0.247 426 V C 2.315 178.449 176.094 0.066 0.000 1.051 426 V CA 2.100 64.429 62.300 0.048 0.000 1.036 426 V CB -1.247 30.605 31.823 0.048 0.000 0.654 426 V HN 0.648 nan 8.190 nan 0.000 0.451 427 Y N 2.469 122.769 120.300 -0.000 0.000 2.114 427 Y HA -0.299 4.252 4.550 0.000 0.000 0.284 427 Y C 2.854 178.763 175.900 0.016 0.000 1.143 427 Y CA 2.052 60.158 58.100 0.010 0.000 1.135 427 Y CB -0.583 37.882 38.460 0.009 0.000 0.980 427 Y HN 0.354 nan 8.280 nan 0.000 0.499 428 S N 0.228 115.895 115.700 -0.054 0.000 2.419 428 S HA -0.191 4.279 4.470 0.000 0.000 0.235 428 S C 1.959 176.459 174.600 -0.168 0.000 1.019 428 S CA 0.990 59.103 58.200 -0.144 0.000 0.982 428 S CB -0.953 62.255 63.200 0.015 0.000 0.789 428 S HN 0.557 nan 8.310 nan 0.000 0.490 429 A N 1.510 124.261 122.820 -0.116 0.000 2.238 429 A HA 0.412 4.732 4.320 0.000 0.000 0.210 429 A C 1.331 178.854 177.584 -0.102 0.000 1.179 429 A CA 0.297 52.284 52.037 -0.084 0.000 0.827 429 A CB -0.449 18.526 19.000 -0.042 0.000 0.856 429 A HN 0.665 nan 8.150 nan 0.000 0.488 430 S N -0.410 115.194 115.700 -0.159 0.000 2.600 430 S HA 0.214 4.684 4.470 0.000 0.000 0.265 430 S C 0.579 175.103 174.600 -0.128 0.000 1.325 430 S CA 0.095 58.217 58.200 -0.130 0.000 1.002 430 S CB 0.856 63.975 63.200 -0.136 0.000 0.921 430 S HN 0.425 nan 8.310 nan 0.000 0.554 431 E N 0.175 120.328 120.200 -0.077 0.000 2.072 431 E HA -0.101 4.250 4.350 0.000 0.000 0.191 431 E C 1.857 178.415 176.600 -0.069 0.000 0.985 431 E CA 0.758 57.121 56.400 -0.061 0.000 0.801 431 E CB -0.213 29.466 29.700 -0.035 0.000 0.750 431 E HN 0.601 nan 8.360 nan 0.000 0.452 432 L N 1.061 122.245 121.223 -0.064 0.000 2.013 432 L HA -0.217 4.123 4.340 0.000 0.000 0.212 432 L C 2.297 179.128 176.870 -0.065 0.000 1.073 432 L CA 2.083 56.902 54.840 -0.034 0.000 0.753 432 L CB -0.790 41.284 42.059 0.024 0.000 0.890 432 L HN 0.113 nan 8.230 nan 0.000 0.432 433 A N -0.179 122.493 122.820 -0.246 0.000 1.940 433 A HA -0.155 4.165 4.320 0.000 0.000 0.219 433 A C 2.491 180.035 177.584 -0.067 0.000 1.176 433 A CA 1.854 53.689 52.037 -0.335 0.000 0.631 433 A CB -0.770 17.696 19.000 -0.890 0.000 0.814 433 A HN 0.618 nan 8.150 nan 0.000 0.446 434 A N -0.236 122.533 122.820 -0.085 0.000 1.877 434 A HA -0.178 4.142 4.320 0.000 0.000 0.216 434 A C 2.108 179.673 177.584 -0.031 0.000 1.186 434 A CA 1.893 53.909 52.037 -0.034 0.000 0.620 434 A CB -0.470 18.505 19.000 -0.042 0.000 0.822 434 A HN 0.519 nan 8.150 nan 0.000 0.443 435 K N -0.507 119.865 120.400 -0.047 0.000 2.152 435 K HA -0.153 4.167 4.320 0.000 0.000 0.206 435 K C 1.968 178.498 176.600 -0.117 0.000 1.048 435 K CA 1.645 57.895 56.287 -0.061 0.000 0.933 435 K CB -0.096 32.375 32.500 -0.048 0.000 0.721 435 K HN 0.641 nan 8.250 nan 0.000 0.447 436 E N -0.925 119.189 120.200 -0.144 0.000 2.086 436 E HA -0.029 4.321 4.350 0.000 0.000 0.190 436 E C -0.105 176.050 176.600 -0.741 0.000 0.975 436 E CA 0.678 56.824 56.400 -0.423 0.000 0.813 436 E CB 0.316 29.827 29.700 -0.315 0.000 0.768 436 E HN 0.150 nan 8.360 nan 0.000 0.457 437 F N -0.071 119.887 119.950 0.014 0.000 2.584 437 F HA 0.256 4.783 4.527 0.000 0.000 0.328 437 F C -2.116 173.679 175.800 -0.008 0.000 1.407 437 F CA -1.748 56.258 58.000 0.010 0.000 1.145 437 F CB 1.489 40.507 39.000 0.031 0.000 1.440 437 F HN -0.055 nan 8.300 nan 0.000 0.580 438 P HA -0.163 nan 4.420 nan 0.000 0.221 438 P C 1.298 178.629 177.300 0.051 0.000 1.150 438 P CA 1.183 64.307 63.100 0.041 0.000 0.800 438 P CB 0.221 31.923 31.700 0.003 0.000 0.787 439 E N 0.127 120.369 120.200 0.070 0.000 2.445 439 E HA 0.020 4.371 4.350 0.000 0.000 0.189 439 E C -0.052 176.588 176.600 0.067 0.000 1.069 439 E CA 0.134 56.569 56.400 0.058 0.000 0.871 439 E CB -0.516 29.216 29.700 0.054 0.000 0.991 439 E HN 0.285 nan 8.360 nan 0.000 0.481 440 L N 1.942 123.217 121.223 0.086 0.000 2.346 440 L HA 0.315 4.655 4.340 0.000 0.000 0.274 440 L C -0.140 176.752 176.870 0.037 0.000 1.007 440 L CA -1.326 53.550 54.840 0.060 0.000 0.818 440 L CB 1.697 43.798 42.059 0.071 0.000 1.284 440 L HN -0.015 nan 8.230 nan 0.000 0.424 441 D N 0.770 121.180 120.400 0.016 0.000 2.358 441 D HA 0.165 4.805 4.640 0.000 0.000 0.244 441 D C 0.928 177.227 176.300 -0.001 0.000 1.163 441 D CA -0.737 53.268 54.000 0.008 0.000 0.945 441 D CB 1.196 42.000 40.800 0.006 0.000 1.152 441 D HN 0.174 nan 8.370 nan 0.000 0.451 442 V N 1.046 120.956 119.914 -0.006 0.000 2.324 442 V HA -0.300 3.820 4.120 0.000 0.000 0.250 442 V C 2.449 178.533 176.094 -0.017 0.000 1.060 442 V CA 2.291 64.581 62.300 -0.016 0.000 1.042 442 V CB -1.212 30.600 31.823 -0.018 0.000 0.650 442 V HN 0.834 nan 8.190 nan 0.000 0.450 443 S N -0.210 115.481 115.700 -0.014 0.000 2.474 443 S HA -0.020 4.450 4.470 0.000 0.000 0.235 443 S C 1.740 176.320 174.600 -0.034 0.000 0.997 443 S CA 1.148 59.337 58.200 -0.018 0.000 0.949 443 S CB -0.504 62.688 63.200 -0.013 0.000 0.766 443 S HN 0.578 nan 8.310 nan 0.000 0.517 444 L N -0.029 121.169 121.223 -0.043 0.000 2.446 444 L HA 0.255 4.595 4.340 0.000 0.000 0.219 444 L C 2.788 179.601 176.870 -0.095 0.000 1.116 444 L CA 0.231 55.028 54.840 -0.072 0.000 0.844 444 L CB -0.231 41.784 42.059 -0.074 0.000 0.970 444 L HN 0.235 nan 8.230 nan 0.000 0.457 445 R N 0.150 120.616 120.500 -0.057 0.000 2.153 445 R HA -0.015 4.325 4.340 0.000 0.000 0.218 445 R C 2.340 178.684 176.300 0.074 0.000 1.072 445 R CA 0.978 57.063 56.100 -0.025 0.000 0.990 445 R CB -0.341 29.968 30.300 0.015 0.000 0.889 445 R HN 0.344 nan 8.270 nan 0.000 0.452 446 G N 0.764 109.590 108.800 0.044 0.000 2.408 446 G HA2 -0.222 3.739 3.960 0.000 0.000 0.217 446 G HA3 -0.222 3.739 3.960 0.000 0.000 0.217 446 G C 1.522 176.408 174.900 -0.024 0.000 1.150 446 G CA 0.662 45.792 45.100 0.051 0.000 0.776 446 G HN 0.365 nan 8.290 nan 0.000 0.542 447 A N 0.284 123.066 122.820 -0.063 0.000 1.933 447 A HA 0.088 4.408 4.320 0.000 0.000 0.218 447 A C 2.562 180.066 177.584 -0.133 0.000 1.175 447 A CA 1.765 53.745 52.037 -0.095 0.000 0.628 447 A CB -0.498 18.440 19.000 -0.104 0.000 0.814 447 A HN 0.254 nan 8.150 nan 0.000 0.444 448 V N -0.751 119.054 119.914 -0.183 0.000 2.427 448 V HA -0.177 3.943 4.120 0.000 0.000 0.248 448 V C 2.711 178.670 176.094 -0.225 0.000 1.051 448 V CA 2.140 64.286 62.300 -0.256 0.000 1.048 448 V CB -0.790 30.737 31.823 -0.493 0.000 0.666 448 V HN 0.600 nan 8.190 nan 0.000 0.456 449 S N -0.350 115.220 115.700 -0.217 0.000 2.368 449 S HA -0.125 4.345 4.470 0.000 0.000 0.225 449 S C 1.919 176.404 174.600 -0.192 0.000 1.030 449 S CA 1.547 59.567 58.200 -0.300 0.000 0.999 449 S CB -0.307 62.727 63.200 -0.276 0.000 0.844 449 S HN 0.505 nan 8.310 nan 0.000 0.459 450 I N 1.467 121.959 120.570 -0.130 0.000 2.127 450 I HA -0.224 3.946 4.170 0.000 0.000 0.241 450 I C 2.771 178.819 176.117 -0.115 0.000 1.075 450 I CA 1.326 62.564 61.300 -0.103 0.000 1.334 450 I CB -0.658 37.295 38.000 -0.078 0.000 1.040 450 I HN 0.347 nan 8.210 nan 0.000 0.405 451 A N 0.693 123.440 122.820 -0.122 0.000 1.940 451 A HA -0.213 4.107 4.320 0.000 0.000 0.219 451 A C 2.390 179.896 177.584 -0.131 0.000 1.176 451 A CA 1.593 53.557 52.037 -0.122 0.000 0.631 451 A CB -0.577 18.352 19.000 -0.118 0.000 0.814 451 A HN 0.340 nan 8.150 nan 0.000 0.446 452 R N -1.187 119.229 120.500 -0.141 0.000 2.090 452 R HA -0.055 4.285 4.340 0.000 0.000 0.228 452 R C 2.503 178.720 176.300 -0.139 0.000 1.110 452 R CA 1.290 57.309 56.100 -0.136 0.000 0.973 452 R CB -0.273 29.939 30.300 -0.146 0.000 0.869 452 R HN 0.601 nan 8.270 nan 0.000 0.440 453 R N 0.879 121.294 120.500 -0.142 0.000 2.091 453 R HA -0.176 4.164 4.340 0.000 0.000 0.238 453 R C 2.133 178.355 176.300 -0.129 0.000 1.136 453 R CA 1.381 57.407 56.100 -0.123 0.000 0.959 453 R CB -0.314 29.923 30.300 -0.106 0.000 0.856 453 R HN 0.122 nan 8.270 nan 0.000 0.437 454 L N 1.399 122.536 121.223 -0.144 0.000 2.017 454 L HA -0.203 4.137 4.340 0.000 0.000 0.208 454 L C 2.123 178.837 176.870 -0.260 0.000 1.073 454 L CA 1.831 56.558 54.840 -0.190 0.000 0.745 454 L CB -0.651 41.298 42.059 -0.184 0.000 0.894 454 L HN 0.285 nan 8.230 nan 0.000 0.432 455 Q N -1.133 118.536 119.800 -0.218 0.000 2.014 455 Q HA -0.175 4.166 4.340 0.000 0.000 0.207 455 Q C 0.143 176.024 176.000 -0.199 0.000 0.993 455 Q CA 1.680 57.352 55.803 -0.219 0.000 0.850 455 Q CB -0.074 28.573 28.738 -0.152 0.000 0.916 455 Q HN 0.449 nan 8.270 nan 0.000 0.417 456 D N -1.988 118.324 120.400 -0.147 0.000 2.323 456 D HA 0.173 4.813 4.640 0.000 0.000 0.242 456 D C -2.305 173.938 176.300 -0.095 0.000 1.347 456 D CA -1.922 52.010 54.000 -0.113 0.000 0.988 456 D CB 1.437 42.186 40.800 -0.085 0.000 1.314 456 D HN -0.236 nan 8.370 nan 0.000 0.564 457 P HA -0.133 nan 4.420 nan 0.000 0.215 457 P C 1.740 179.003 177.300 -0.060 0.000 1.157 457 P CA 0.393 63.451 63.100 -0.071 0.000 0.868 457 P CB 0.412 32.081 31.700 -0.052 0.000 0.788 458 L N 0.148 121.339 121.223 -0.054 0.000 1.971 458 L HA -0.214 4.126 4.340 0.000 0.000 0.215 458 L C 2.302 179.146 176.870 -0.043 0.000 1.072 458 L CA 2.514 57.327 54.840 -0.046 0.000 0.758 458 L CB -1.647 40.387 42.059 -0.041 0.000 0.889 458 L HN -0.079 nan 8.230 nan 0.000 0.433 459 A N -1.261 121.531 122.820 -0.047 0.000 1.948 459 A HA -0.284 4.036 4.320 0.000 0.000 0.220 459 A C 2.260 179.811 177.584 -0.054 0.000 1.177 459 A CA 2.102 54.113 52.037 -0.043 0.000 0.636 459 A CB -0.682 18.291 19.000 -0.045 0.000 0.815 459 A HN 0.627 nan 8.150 nan 0.000 0.449 460 E N -0.331 119.823 120.200 -0.077 0.000 2.140 460 E HA 0.083 4.433 4.350 0.000 0.000 0.191 460 E C 1.826 178.375 176.600 -0.085 0.000 0.973 460 E CA 0.495 56.828 56.400 -0.112 0.000 0.829 460 E CB -0.296 29.310 29.700 -0.156 0.000 0.781 460 E HN 0.548 nan 8.360 nan 0.000 0.466 461 L N -0.064 121.124 121.223 -0.058 0.000 2.131 461 L HA -0.092 4.248 4.340 0.000 0.000 0.210 461 L C 2.328 179.192 176.870 -0.010 0.000 1.092 461 L CA 0.695 55.516 54.840 -0.032 0.000 0.759 461 L CB -0.333 41.709 42.059 -0.028 0.000 0.903 461 L HN 0.124 nan 8.230 nan 0.000 0.435 462 V N 0.117 120.023 119.914 -0.013 0.000 2.867 462 V HA -0.245 3.875 4.120 0.000 0.000 0.260 462 V C 2.234 178.340 176.094 0.020 0.000 1.099 462 V CA 1.610 63.910 62.300 -0.000 0.000 1.122 462 V CB -0.383 31.436 31.823 -0.007 0.000 0.708 462 V HN 0.424 nan 8.190 nan 0.000 0.490 463 K N 0.203 120.622 120.400 0.032 0.000 2.365 463 K HA 0.114 4.434 4.320 0.000 0.000 0.199 463 K C 0.675 177.337 176.600 0.104 0.000 1.045 463 K CA 0.853 57.189 56.287 0.081 0.000 0.962 463 K CB -0.020 32.554 32.500 0.123 0.000 0.759 463 K HN 0.704 nan 8.250 nan 0.000 0.469 464 I N -2.651 117.966 120.570 0.078 0.000 2.957 464 I HA 0.305 4.475 4.170 0.000 0.000 0.310 464 I C -0.592 175.549 176.117 0.039 0.000 1.063 464 I CA -1.198 60.145 61.300 0.072 0.000 1.033 464 I CB 1.563 39.614 38.000 0.085 0.000 1.230 464 I HN -0.201 nan 8.210 nan 0.000 0.447 465 E N 3.504 123.722 120.200 0.030 0.000 2.652 465 E HA -0.013 4.337 4.350 0.000 0.000 0.255 465 E C -1.722 174.885 176.600 0.012 0.000 0.952 465 E CA -0.825 55.585 56.400 0.017 0.000 0.947 465 E CB 0.542 30.250 29.700 0.012 0.000 0.912 465 E HN 0.462 nan 8.360 nan 0.000 0.489 466 P HA -0.220 nan 4.420 nan 0.000 0.216 466 P C 0.615 177.911 177.300 -0.007 0.000 1.150 466 P CA 1.475 64.578 63.100 0.006 0.000 0.843 466 P CB 0.235 31.942 31.700 0.011 0.000 0.787 467 K N -0.540 119.852 120.400 -0.014 0.000 2.032 467 K HA -0.073 4.247 4.320 0.000 0.000 0.209 467 K C 2.071 178.645 176.600 -0.043 0.000 1.048 467 K CA 1.762 58.024 56.287 -0.041 0.000 0.927 467 K CB -0.646 31.834 32.500 -0.033 0.000 0.712 467 K HN 0.093 nan 8.250 nan 0.000 0.441 468 S N 1.259 116.947 115.700 -0.019 0.000 2.507 468 S HA 0.010 4.480 4.470 0.000 0.000 0.235 468 S C 1.726 176.320 174.600 -0.009 0.000 0.988 468 S CA 0.608 58.801 58.200 -0.012 0.000 0.944 468 S CB -0.288 62.914 63.200 0.004 0.000 0.762 468 S HN 0.225 nan 8.310 nan 0.000 0.526 469 I N 1.465 122.029 120.570 -0.010 0.000 2.700 469 I HA -0.043 4.127 4.170 0.000 0.000 0.261 469 I C 1.369 177.475 176.117 -0.018 0.000 1.219 469 I CA 0.480 61.776 61.300 -0.007 0.000 1.463 469 I CB -1.007 36.991 38.000 -0.003 0.000 1.092 469 I HN 0.424 nan 8.210 nan 0.000 0.452 470 G N 1.509 110.285 108.800 -0.039 0.000 2.689 470 G HA2 -0.158 3.802 3.960 0.000 0.000 0.273 470 G HA3 -0.158 3.802 3.960 0.000 0.000 0.273 470 G C 0.475 175.338 174.900 -0.061 0.000 1.062 470 G CA 0.156 45.221 45.100 -0.057 0.000 1.279 470 G HN 0.281 nan 8.290 nan 0.000 0.547 471 V N -0.116 119.731 119.914 -0.113 0.000 3.052 471 V HA 0.685 4.805 4.120 0.000 0.000 0.254 471 V C 1.386 177.488 176.094 0.013 0.000 1.100 471 V CA 1.735 64.003 62.300 -0.052 0.000 1.112 471 V CB 0.281 32.072 31.823 -0.053 0.000 0.738 471 V HN 2.061 nan 8.190 nan 0.000 0.469 472 G N -1.251 107.444 108.800 -0.175 0.000 2.550 472 G HA2 0.376 4.336 3.960 0.000 0.000 0.293 472 G HA3 0.376 4.336 3.960 0.000 0.000 0.293 472 G C -0.435 174.382 174.900 -0.138 0.000 1.402 472 G CA 0.068 45.190 45.100 0.037 0.000 0.784 472 G HN 0.020 nan 8.290 nan 0.000 0.482 473 Q N -1.066 118.663 119.800 -0.118 0.000 2.016 473 Q HA -0.007 4.333 4.340 0.000 0.000 0.200 473 Q C -0.156 175.379 176.000 -0.775 0.000 0.978 473 Q CA 1.454 56.886 55.803 -0.619 0.000 0.833 473 Q CB 0.126 28.255 28.738 -1.015 0.000 0.895 473 Q HN 0.559 nan 8.270 nan 0.000 0.427 474 Y N 0.491 120.823 120.300 0.054 0.000 2.490 474 Y HA 0.202 4.752 4.550 0.000 0.000 0.346 474 Y C 0.693 176.378 175.900 -0.358 0.000 1.023 474 Y CA -0.632 57.327 58.100 -0.235 0.000 1.142 474 Y CB 0.302 38.682 38.460 -0.134 0.000 1.126 474 Y HN 0.090 nan 8.280 nan 0.000 0.647 475 Q N -0.384 119.224 119.800 -0.319 0.000 2.432 475 Q HA -0.082 4.258 4.340 0.000 0.000 0.205 475 Q C 0.997 176.923 176.000 -0.124 0.000 0.945 475 Q CA 0.941 56.535 55.803 -0.347 0.000 0.924 475 Q CB -0.294 28.003 28.738 -0.735 0.000 1.016 475 Q HN 0.722 nan 8.270 nan 0.000 0.503 476 H N 0.417 119.513 119.070 0.044 0.000 2.546 476 H HA 0.047 4.603 4.556 0.000 0.000 0.277 476 H C 0.062 175.452 175.328 0.103 0.000 1.004 476 H CA 0.684 56.770 56.048 0.062 0.000 1.231 476 H CB 0.007 29.811 29.762 0.069 0.000 1.382 476 H HN 0.312 nan 8.280 nan 0.000 0.580 477 D N 1.520 121.885 120.400 -0.057 0.000 2.368 477 D HA 0.110 4.750 4.640 0.000 0.000 0.218 477 D C 0.930 177.281 176.300 0.085 0.000 1.112 477 D CA 0.031 54.059 54.000 0.048 0.000 0.834 477 D CB 0.920 41.745 40.800 0.042 0.000 0.953 477 D HN 0.323 nan 8.370 nan 0.000 0.505 478 V N -2.446 117.528 119.914 0.100 0.000 3.103 478 V HA 0.511 4.631 4.120 0.000 0.000 0.318 478 V C 0.492 176.628 176.094 0.069 0.000 1.114 478 V CA -1.197 61.163 62.300 0.101 0.000 1.020 478 V CB 1.683 33.611 31.823 0.175 0.000 1.085 478 V HN -0.081 nan 8.190 nan 0.000 0.446 479 S N 1.121 116.849 115.700 0.046 0.000 2.596 479 S HA 0.009 4.479 4.470 0.000 0.000 0.298 479 S C 1.028 175.656 174.600 0.048 0.000 1.255 479 S CA 0.002 58.222 58.200 0.034 0.000 1.083 479 S CB 0.343 63.556 63.200 0.020 0.000 0.837 479 S HN 0.824 nan 8.310 nan 0.000 0.499 480 Q N 3.931 123.756 119.800 0.041 0.000 2.172 480 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 480 Q C 1.895 177.915 176.000 0.034 0.000 0.964 480 Q CA 0.887 56.714 55.803 0.040 0.000 0.855 480 Q CB -0.260 28.499 28.738 0.036 0.000 0.918 480 Q HN 0.679 nan 8.270 nan 0.000 0.444 481 L N 1.141 122.382 121.223 0.029 0.000 2.017 481 L HA -0.181 4.159 4.340 0.000 0.000 0.208 481 L C 2.162 179.051 176.870 0.031 0.000 1.073 481 L CA 1.781 56.637 54.840 0.026 0.000 0.745 481 L CB -0.949 41.123 42.059 0.021 0.000 0.894 481 L HN 0.245 nan 8.230 nan 0.000 0.432 482 K N -0.672 119.749 120.400 0.035 0.000 2.148 482 K HA -0.184 4.136 4.320 0.000 0.000 0.204 482 K C 1.960 178.593 176.600 0.054 0.000 1.050 482 K CA 0.746 57.057 56.287 0.040 0.000 0.942 482 K CB -0.239 32.283 32.500 0.038 0.000 0.724 482 K HN 0.094 nan 8.250 nan 0.000 0.446 483 L N 1.348 122.611 121.223 0.066 0.000 2.017 483 L HA -0.106 4.234 4.340 0.000 0.000 0.208 483 L C 2.238 179.142 176.870 0.056 0.000 1.073 483 L CA 1.831 56.721 54.840 0.083 0.000 0.745 483 L CB -0.829 41.278 42.059 0.080 0.000 0.894 483 L HN 0.099 nan 8.230 nan 0.000 0.432 484 A N -0.139 122.705 122.820 0.039 0.000 1.883 484 A HA -0.271 4.049 4.320 0.000 0.000 0.217 484 A C 2.568 180.170 177.584 0.030 0.000 1.186 484 A CA 1.948 54.002 52.037 0.029 0.000 0.624 484 A CB -0.744 18.270 19.000 0.023 0.000 0.822 484 A HN 0.547 nan 8.150 nan 0.000 0.444 485 R N -0.476 120.043 120.500 0.032 0.000 2.091 485 R HA -0.139 4.202 4.340 0.000 0.000 0.238 485 R C 2.460 178.779 176.300 0.032 0.000 1.136 485 R CA 1.979 58.096 56.100 0.029 0.000 0.959 485 R CB -0.418 29.899 30.300 0.028 0.000 0.856 485 R HN 0.495 nan 8.270 nan 0.000 0.437 486 S N 0.321 116.046 115.700 0.042 0.000 2.355 486 S HA -0.056 4.414 4.470 0.000 0.000 0.222 486 S C 2.033 176.664 174.600 0.051 0.000 1.031 486 S CA 1.088 59.316 58.200 0.047 0.000 0.993 486 S CB -0.186 63.052 63.200 0.063 0.000 0.859 486 S HN 0.391 nan 8.310 nan 0.000 0.453 487 L N 1.053 122.309 121.223 0.055 0.000 2.056 487 L HA -0.095 4.245 4.340 0.000 0.000 0.207 487 L C 2.358 179.250 176.870 0.036 0.000 1.078 487 L CA 1.396 56.267 54.840 0.051 0.000 0.749 487 L CB -0.850 41.234 42.059 0.043 0.000 0.901 487 L HN 0.271 nan 8.230 nan 0.000 0.433 488 D N 0.429 120.845 120.400 0.027 0.000 2.158 488 D HA -0.189 4.451 4.640 0.000 0.000 0.197 488 D C 2.181 178.489 176.300 0.015 0.000 0.995 488 D CA 1.580 55.590 54.000 0.017 0.000 0.846 488 D CB 0.056 40.864 40.800 0.014 0.000 0.941 488 D HN 0.328 nan 8.370 nan 0.000 0.456 489 A N 0.192 123.025 122.820 0.022 0.000 1.897 489 A HA -0.095 4.225 4.320 0.000 0.000 0.215 489 A C 2.515 180.117 177.584 0.029 0.000 1.181 489 A CA 1.050 53.098 52.037 0.020 0.000 0.620 489 A CB -0.589 18.425 19.000 0.022 0.000 0.821 489 A HN 0.144 nan 8.150 nan 0.000 0.443 490 V N -0.144 119.798 119.914 0.047 0.000 2.295 490 V HA -0.243 3.878 4.120 0.000 0.000 0.246 490 V C 2.567 178.694 176.094 0.055 0.000 1.049 490 V CA 2.056 64.403 62.300 0.078 0.000 1.024 490 V CB -0.964 30.917 31.823 0.097 0.000 0.648 490 V HN 0.365 nan 8.190 nan 0.000 0.447 491 V N 0.058 119.989 119.914 0.028 0.000 2.332 491 V HA -0.318 3.803 4.120 0.000 0.000 0.248 491 V C 2.454 178.540 176.094 -0.014 0.000 1.055 491 V CA 2.395 64.699 62.300 0.005 0.000 1.038 491 V CB -0.663 31.161 31.823 0.002 0.000 0.651 491 V HN 0.686 nan 8.190 nan 0.000 0.450 492 E N 0.033 120.222 120.200 -0.018 0.000 2.077 492 E HA -0.259 4.091 4.350 0.000 0.000 0.193 492 E C 1.845 178.407 176.600 -0.063 0.000 0.989 492 E CA 1.540 57.908 56.400 -0.052 0.000 0.800 492 E CB -0.063 29.608 29.700 -0.050 0.000 0.746 492 E HN 0.607 nan 8.360 nan 0.000 0.452 493 D N -0.074 120.317 120.400 -0.016 0.000 2.117 493 D HA -0.130 4.510 4.640 0.000 0.000 0.198 493 D C 2.009 178.315 176.300 0.010 0.000 0.982 493 D CA 1.000 55.003 54.000 0.005 0.000 0.828 493 D CB -0.433 40.404 40.800 0.060 0.000 0.967 493 D HN 0.295 nan 8.370 nan 0.000 0.464 494 C N 0.070 119.375 119.300 0.008 0.000 2.475 494 C HA 0.012 4.472 4.460 0.000 0.000 0.279 494 C C 2.927 177.901 174.990 -0.028 0.000 1.322 494 C CA -0.079 58.926 59.018 -0.023 0.000 1.734 494 C CB -0.639 27.063 27.740 -0.063 0.000 2.005 494 C HN 0.146 nan 8.230 nan 0.000 0.495 495 V N 2.090 121.982 119.914 -0.037 0.000 2.343 495 V HA -0.188 3.932 4.120 0.000 0.000 0.247 495 V C 2.095 178.167 176.094 -0.037 0.000 1.051 495 V CA 1.922 64.200 62.300 -0.037 0.000 1.036 495 V CB -0.589 31.205 31.823 -0.048 0.000 0.654 495 V HN 0.586 nan 8.190 nan 0.000 0.451 496 N N -0.097 118.542 118.700 -0.102 0.000 2.446 496 N HA 0.020 4.761 4.740 0.000 0.000 0.179 496 N C 1.816 177.375 175.510 0.081 0.000 1.054 496 N CA 1.133 54.081 53.050 -0.170 0.000 0.905 496 N CB 0.117 38.200 38.487 -0.673 0.000 0.973 496 N HN 0.487 nan 8.380 nan 0.000 0.448 497 A N 0.805 123.657 122.820 0.053 0.000 1.897 497 A HA -0.033 4.287 4.320 0.000 0.000 0.215 497 A C 2.374 180.013 177.584 0.091 0.000 1.181 497 A CA 1.037 53.128 52.037 0.090 0.000 0.620 497 A CB -0.486 18.548 19.000 0.056 0.000 0.821 497 A HN 0.076 nan 8.150 nan 0.000 0.443 498 V N -0.701 119.248 119.914 0.059 0.000 2.591 498 V HA 0.259 4.379 4.120 0.000 0.000 0.249 498 V C 1.527 177.666 176.094 0.076 0.000 1.053 498 V CA 0.766 63.095 62.300 0.049 0.000 1.068 498 V CB -1.780 30.054 31.823 0.017 0.000 0.689 498 V HN 1.161 nan 8.190 nan 0.000 0.462 499 G N -0.071 108.798 108.800 0.115 0.000 2.856 499 G HA2 -0.090 3.871 3.960 0.000 0.000 0.674 499 G HA3 -0.090 3.871 3.960 0.000 0.000 0.674 499 G C -0.804 174.142 174.900 0.077 0.000 1.519 499 G CA -0.285 44.902 45.100 0.145 0.000 0.940 499 G HN 0.502 nan 8.290 nan 0.000 0.564 500 V N 1.427 121.384 119.914 0.070 0.000 2.638 500 V HA 0.486 4.606 4.120 0.000 0.000 0.306 500 V C -0.340 175.767 176.094 0.021 0.000 1.052 500 V CA -0.408 61.913 62.300 0.035 0.000 0.885 500 V CB 1.934 33.771 31.823 0.023 0.000 0.999 500 V HN 1.003 nan 8.190 nan 0.000 0.424 501 D N 3.475 123.886 120.400 0.018 0.000 2.344 501 D HA 0.070 4.710 4.640 0.000 0.000 0.253 501 D C 0.783 177.097 176.300 0.023 0.000 1.255 501 D CA 0.284 54.297 54.000 0.020 0.000 0.894 501 D CB 1.809 42.623 40.800 0.023 0.000 1.067 501 D HN 0.282 nan 8.370 nan 0.000 0.492 502 V N 4.865 124.786 119.914 0.011 0.000 2.759 502 V HA -0.156 3.964 4.120 0.000 0.000 0.256 502 V C 1.386 177.543 176.094 0.104 0.000 1.080 502 V CA 1.377 63.675 62.300 -0.003 0.000 1.101 502 V CB -0.320 31.419 31.823 -0.139 0.000 0.698 502 V HN 0.518 nan 8.190 nan 0.000 0.477 503 N N -0.085 118.696 118.700 0.135 0.000 2.424 503 N HA -0.020 4.720 4.740 0.000 0.000 0.178 503 N C 1.677 177.246 175.510 0.098 0.000 1.060 503 N CA 1.455 54.606 53.050 0.169 0.000 0.901 503 N CB 0.329 38.907 38.487 0.151 0.000 0.979 503 N HN 0.748 nan 8.380 nan 0.000 0.451 504 T N -3.097 111.497 114.554 0.066 0.000 2.971 504 T HA 0.410 4.760 4.350 0.000 0.000 0.252 504 T C 0.785 175.505 174.700 0.033 0.000 1.022 504 T CA -0.356 61.768 62.100 0.040 0.000 0.980 504 T CB 0.288 69.171 68.868 0.025 0.000 1.044 504 T HN 0.069 nan 8.240 nan 0.000 0.501 505 A N 2.677 125.518 122.820 0.036 0.000 2.477 505 A HA 0.579 4.899 4.320 0.000 0.000 0.246 505 A C 0.885 178.486 177.584 0.028 0.000 1.078 505 A CA -0.194 51.858 52.037 0.025 0.000 0.770 505 A CB -0.049 18.962 19.000 0.019 0.000 1.011 505 A HN 0.744 nan 8.150 nan 0.000 0.494 506 S N 1.956 117.667 115.700 0.019 0.000 2.600 506 S HA 0.439 4.909 4.470 0.000 0.000 0.265 506 S C 1.330 175.943 174.600 0.022 0.000 1.325 506 S CA -0.106 58.107 58.200 0.021 0.000 1.002 506 S CB 1.020 64.231 63.200 0.019 0.000 0.921 506 S HN 1.617 nan 8.310 nan 0.000 0.554 507 A N 1.720 124.555 122.820 0.024 0.000 1.933 507 A HA 0.151 4.471 4.320 0.000 0.000 0.218 507 A C 2.414 180.008 177.584 0.017 0.000 1.175 507 A CA 1.780 53.830 52.037 0.022 0.000 0.628 507 A CB -1.701 17.313 19.000 0.022 0.000 0.814 507 A HN 1.377 nan 8.150 nan 0.000 0.444 508 A N -0.639 122.194 122.820 0.020 0.000 1.902 508 A HA -0.036 4.284 4.320 0.000 0.000 0.217 508 A C 2.119 179.709 177.584 0.009 0.000 1.181 508 A CA 1.758 53.806 52.037 0.019 0.000 0.623 508 A CB -0.543 18.476 19.000 0.032 0.000 0.818 508 A HN 0.602 nan 8.150 nan 0.000 0.443 509 L N -0.388 120.839 121.223 0.007 0.000 2.027 509 L HA -0.018 4.322 4.340 0.000 0.000 0.206 509 L C 2.275 179.141 176.870 -0.006 0.000 1.074 509 L CA 1.528 56.367 54.840 -0.001 0.000 0.745 509 L CB -0.557 41.501 42.059 -0.001 0.000 0.898 509 L HN 0.387 nan 8.230 nan 0.000 0.433 510 L N -0.601 120.621 121.223 -0.002 0.000 2.127 510 L HA -0.199 4.141 4.340 0.000 0.000 0.211 510 L C 2.625 179.486 176.870 -0.015 0.000 1.089 510 L CA 1.121 55.956 54.840 -0.010 0.000 0.757 510 L CB -0.855 41.200 42.059 -0.005 0.000 0.899 510 L HN 0.371 nan 8.230 nan 0.000 0.434 511 A N 0.027 122.842 122.820 -0.009 0.000 1.978 511 A HA -0.179 4.141 4.320 0.000 0.000 0.220 511 A C 2.074 179.646 177.584 -0.021 0.000 1.170 511 A CA 1.352 53.383 52.037 -0.011 0.000 0.636 511 A CB -0.333 18.666 19.000 -0.003 0.000 0.810 511 A HN 0.320 nan 8.150 nan 0.000 0.448 512 R N -0.389 120.096 120.500 -0.025 0.000 2.310 512 R HA 0.239 4.579 4.340 0.000 0.000 0.202 512 R C 0.147 176.406 176.300 -0.069 0.000 0.933 512 R CA -0.173 55.904 56.100 -0.039 0.000 1.054 512 R CB -0.686 29.594 30.300 -0.034 0.000 0.985 512 R HN 0.359 nan 8.270 nan 0.000 0.489 513 I N 1.921 122.454 120.570 -0.062 0.000 2.575 513 I HA -0.045 4.125 4.170 0.000 0.000 0.285 513 I C 1.002 177.057 176.117 -0.103 0.000 1.085 513 I CA -0.351 60.897 61.300 -0.087 0.000 1.403 513 I CB 0.990 38.970 38.000 -0.034 0.000 1.409 513 I HN 0.044 nan 8.210 nan 0.000 0.557 514 S N 4.791 120.374 115.700 -0.195 0.000 2.673 514 S HA 0.137 4.607 4.470 0.000 0.000 0.308 514 S C 1.231 175.814 174.600 -0.028 0.000 1.246 514 S CA 0.673 58.789 58.200 -0.139 0.000 1.077 514 S CB -0.175 62.880 63.200 -0.242 0.000 0.814 514 S HN 1.100 nan 8.310 nan 0.000 0.503 515 G N 3.572 112.351 108.800 -0.035 0.000 2.253 515 G HA2 -0.217 3.743 3.960 0.000 0.000 0.251 515 G HA3 -0.217 3.743 3.960 0.000 0.000 0.251 515 G C 0.128 175.010 174.900 -0.029 0.000 0.998 515 G CA 0.381 45.461 45.100 -0.034 0.000 0.621 515 G HN 0.754 nan 8.290 nan 0.000 0.524 516 L N 0.751 121.956 121.223 -0.030 0.000 2.431 516 L HA 0.664 5.004 4.340 0.000 0.000 0.260 516 L C 0.579 177.436 176.870 -0.021 0.000 1.098 516 L CA -0.428 54.396 54.840 -0.026 0.000 0.800 516 L CB 1.207 43.249 42.059 -0.029 0.000 1.210 516 L HN 0.596 nan 8.230 nan 0.000 0.465 517 N N -2.315 116.377 118.700 -0.014 0.000 3.344 517 N HA 0.207 4.947 4.740 0.000 0.000 0.296 517 N C -0.098 175.410 175.510 -0.003 0.000 1.571 517 N CA -0.708 52.337 53.050 -0.009 0.000 0.844 517 N CB 0.765 39.248 38.487 -0.006 0.000 1.718 517 N HN 0.251 nan 8.380 nan 0.000 0.589 518 S N -0.811 114.889 115.700 0.001 0.000 2.370 518 S HA -0.128 4.342 4.470 0.000 0.000 0.226 518 S C 1.309 175.914 174.600 0.009 0.000 1.033 518 S CA 2.096 60.300 58.200 0.005 0.000 1.011 518 S CB -0.740 62.464 63.200 0.006 0.000 0.852 518 S HN 0.694 nan 8.310 nan 0.000 0.457 519 T N 2.989 117.548 114.554 0.008 0.000 2.643 519 T HA -0.016 4.334 4.350 0.000 0.000 0.264 519 T C 1.826 176.535 174.700 0.015 0.000 1.045 519 T CA 1.226 63.333 62.100 0.012 0.000 1.155 519 T CB -0.624 68.249 68.868 0.010 0.000 0.863 519 T HN 0.239 nan 8.240 nan 0.000 0.420 520 L N 0.990 122.218 121.223 0.009 0.000 1.990 520 L HA -0.190 4.150 4.340 0.000 0.000 0.213 520 L C 3.122 179.998 176.870 0.011 0.000 1.072 520 L CA 1.515 56.360 54.840 0.007 0.000 0.755 520 L CB -0.855 41.202 42.059 -0.004 0.000 0.889 520 L HN 0.274 nan 8.230 nan 0.000 0.432 521 A N -0.528 122.297 122.820 0.007 0.000 1.917 521 A HA -0.316 4.004 4.320 0.000 0.000 0.219 521 A C 2.221 179.824 177.584 0.031 0.000 1.182 521 A CA 2.159 54.203 52.037 0.012 0.000 0.633 521 A CB -0.594 18.410 19.000 0.007 0.000 0.819 521 A HN 0.437 nan 8.150 nan 0.000 0.448 522 Q N 0.348 120.167 119.800 0.031 0.000 2.119 522 Q HA -0.132 4.208 4.340 0.000 0.000 0.201 522 Q C 1.626 177.661 176.000 0.059 0.000 0.972 522 Q CA 2.058 57.884 55.803 0.039 0.000 0.847 522 Q CB -0.436 28.319 28.738 0.028 0.000 0.903 522 Q HN 0.668 nan 8.270 nan 0.000 0.433 523 N N -0.230 118.507 118.700 0.061 0.000 2.223 523 N HA -0.090 4.650 4.740 0.000 0.000 0.185 523 N C 1.551 177.148 175.510 0.144 0.000 1.016 523 N CA 1.205 54.308 53.050 0.089 0.000 0.863 523 N CB -0.138 38.389 38.487 0.067 0.000 0.983 523 N HN 0.357 nan 8.380 nan 0.000 0.429 524 I N -0.195 120.450 120.570 0.124 0.000 2.286 524 I HA -0.145 4.025 4.170 0.000 0.000 0.245 524 I C 1.784 178.064 176.117 0.271 0.000 1.104 524 I CA 0.568 61.986 61.300 0.197 0.000 1.397 524 I CB -0.000 38.039 38.000 0.066 0.000 1.072 524 I HN -0.086 nan 8.210 nan 0.000 0.417 525 V N 0.906 120.917 119.914 0.161 0.000 2.427 525 V HA -0.222 3.898 4.120 0.000 0.000 0.248 525 V C 2.630 178.792 176.094 0.113 0.000 1.051 525 V CA 1.816 64.195 62.300 0.131 0.000 1.048 525 V CB -0.912 30.955 31.823 0.074 0.000 0.666 525 V HN 0.457 nan 8.190 nan 0.000 0.456 526 A N -0.968 121.918 122.820 0.110 0.000 1.873 526 A HA -0.245 4.075 4.320 0.000 0.000 0.215 526 A C 2.262 179.896 177.584 0.084 0.000 1.186 526 A CA 1.689 53.772 52.037 0.077 0.000 0.616 526 A CB -0.854 18.187 19.000 0.069 0.000 0.823 526 A HN 0.634 nan 8.150 nan 0.000 0.442 527 H N -0.158 118.942 119.070 0.051 0.000 2.352 527 H HA -0.122 4.435 4.556 0.000 0.000 0.299 527 H C 2.290 177.557 175.328 -0.102 0.000 1.097 527 H CA 1.967 58.025 56.048 0.017 0.000 1.311 527 H CB -0.082 29.758 29.762 0.130 0.000 1.377 527 H HN 0.517 nan 8.280 nan 0.000 0.504 528 R N 0.270 120.814 120.500 0.074 0.000 2.120 528 R HA -0.111 4.229 4.340 0.000 0.000 0.234 528 R C 1.486 177.735 176.300 -0.085 0.000 1.123 528 R CA 1.738 57.783 56.100 -0.091 0.000 0.975 528 R CB 0.104 30.476 30.300 0.120 0.000 0.866 528 R HN 0.287 nan 8.270 nan 0.000 0.446 529 D N 0.076 120.452 120.400 -0.039 0.000 2.137 529 D HA -0.040 4.600 4.640 0.000 0.000 0.202 529 D C 1.662 177.911 176.300 -0.085 0.000 0.970 529 D CA 1.461 55.432 54.000 -0.048 0.000 0.837 529 D CB -0.158 40.628 40.800 -0.024 0.000 0.981 529 D HN 0.350 nan 8.370 nan 0.000 0.475 530 A N 0.443 123.193 122.820 -0.117 0.000 1.929 530 A HA -0.096 4.224 4.320 0.000 0.000 0.216 530 A C 1.565 179.036 177.584 -0.189 0.000 1.176 530 A CA 1.319 53.267 52.037 -0.148 0.000 0.628 530 A CB -0.209 18.688 19.000 -0.172 0.000 0.816 530 A HN 0.167 nan 8.150 nan 0.000 0.444 531 N N -1.993 116.552 118.700 -0.257 0.000 2.210 531 N HA 0.410 5.150 4.740 0.000 0.000 0.203 531 N C 0.626 176.011 175.510 -0.208 0.000 1.175 531 N CA 0.876 53.771 53.050 -0.259 0.000 0.894 531 N CB 1.066 39.322 38.487 -0.385 0.000 1.041 531 N HN 0.686 nan 8.380 nan 0.000 0.506 532 G N 0.499 109.180 108.800 -0.199 0.000 2.685 532 G HA2 0.114 4.074 3.960 0.000 0.000 0.387 532 G HA3 0.114 4.074 3.960 0.000 0.000 0.387 532 G C -0.397 174.364 174.900 -0.233 0.000 1.324 532 G CA -0.663 44.341 45.100 -0.160 0.000 0.878 532 G HN 0.427 nan 8.290 nan 0.000 0.527 533 A N -0.441 122.299 122.820 -0.133 0.000 2.531 533 A HA 0.549 4.869 4.320 0.000 0.000 0.236 533 A C 0.358 177.860 177.584 -0.136 0.000 1.062 533 A CA 0.393 52.380 52.037 -0.082 0.000 0.760 533 A CB -0.226 18.786 19.000 0.020 0.000 0.995 533 A HN 1.363 nan 8.150 nan 0.000 0.501 534 F N 1.090 121.076 119.950 0.059 0.000 2.538 534 F HA 0.214 4.741 4.527 0.000 0.000 0.371 534 F C 1.675 177.502 175.800 0.045 0.000 1.087 534 F CA 0.342 58.379 58.000 0.062 0.000 1.250 534 F CB 0.664 39.698 39.000 0.057 0.000 1.110 534 F HN 0.651 nan 8.300 nan 0.000 0.570 535 R N 0.118 120.728 120.500 0.183 0.000 2.237 535 R HA 0.095 4.435 4.340 0.000 0.000 0.195 535 R C 0.228 176.601 176.300 0.122 0.000 0.956 535 R CA 0.823 56.994 56.100 0.118 0.000 1.029 535 R CB 0.277 30.618 30.300 0.069 0.000 0.972 535 R HN 0.789 nan 8.270 nan 0.000 0.493 536 T N -3.816 110.831 114.554 0.156 0.000 2.864 536 T HA 0.330 4.680 4.350 0.000 0.000 0.299 536 T C 0.518 175.310 174.700 0.154 0.000 1.166 536 T CA -0.926 61.257 62.100 0.138 0.000 1.007 536 T CB 2.576 71.518 68.868 0.123 0.000 1.219 536 T HN -0.154 nan 8.240 nan 0.000 0.506 537 R N 0.052 120.628 120.500 0.127 0.000 2.105 537 R HA -0.097 4.243 4.340 0.000 0.000 0.239 537 R C 1.651 178.078 176.300 0.213 0.000 1.135 537 R CA 1.873 58.033 56.100 0.100 0.000 0.967 537 R CB -0.478 29.856 30.300 0.057 0.000 0.861 537 R HN 0.806 nan 8.270 nan 0.000 0.442 538 D N 0.416 120.929 120.400 0.189 0.000 2.309 538 D HA -0.146 4.494 4.640 0.000 0.000 0.212 538 D C 1.219 177.568 176.300 0.081 0.000 0.968 538 D CA 0.983 55.042 54.000 0.098 0.000 0.882 538 D CB 0.167 40.994 40.800 0.045 0.000 0.918 538 D HN 0.277 nan 8.370 nan 0.000 0.503 539 E N -0.484 119.809 120.200 0.155 0.000 2.268 539 E HA -0.096 4.254 4.350 0.000 0.000 0.195 539 E C 2.090 178.824 176.600 0.223 0.000 0.995 539 E CA 0.235 56.764 56.400 0.217 0.000 0.836 539 E CB 0.043 29.951 29.700 0.347 0.000 0.763 539 E HN 0.440 nan 8.360 nan 0.000 0.491 540 L N 0.870 122.164 121.223 0.118 0.000 2.191 540 L HA -0.177 4.164 4.340 0.000 0.000 0.212 540 L C 2.140 179.029 176.870 0.031 0.000 1.103 540 L CA 1.054 55.877 54.840 -0.028 0.000 0.769 540 L CB -0.293 41.710 42.059 -0.094 0.000 0.908 540 L HN 0.016 nan 8.230 nan 0.000 0.438 541 K N 0.019 120.437 120.400 0.031 0.000 2.442 541 K HA -0.156 4.164 4.320 0.000 0.000 0.198 541 K C 1.668 178.248 176.600 -0.033 0.000 1.044 541 K CA 0.778 57.032 56.287 -0.056 0.000 0.948 541 K CB 0.043 32.414 32.500 -0.215 0.000 0.762 541 K HN 0.081 nan 8.250 nan 0.000 0.472 542 K N 0.294 120.689 120.400 -0.009 0.000 2.400 542 K HA 0.055 4.375 4.320 0.000 0.000 0.194 542 K C 0.084 176.652 176.600 -0.053 0.000 1.033 542 K CA 0.162 56.456 56.287 0.012 0.000 1.021 542 K CB 0.275 32.836 32.500 0.101 0.000 0.808 542 K HN -0.140 nan 8.250 nan 0.000 0.505 543 V N 2.751 122.562 119.914 -0.172 0.000 2.585 543 V HA -0.006 4.115 4.120 0.000 0.000 0.296 543 V C 0.423 176.502 176.094 -0.024 0.000 1.035 543 V CA -0.616 61.570 62.300 -0.190 0.000 1.084 543 V CB 0.666 32.392 31.823 -0.162 0.000 0.953 543 V HN 0.328 nan 8.190 nan 0.000 0.483 544 S N 5.591 121.314 115.700 0.039 0.000 2.546 544 S HA 0.229 4.699 4.470 0.000 0.000 0.290 544 S C 0.847 175.462 174.600 0.025 0.000 1.290 544 S CA -0.136 58.090 58.200 0.043 0.000 1.069 544 S CB 0.013 63.250 63.200 0.062 0.000 0.846 544 S HN 0.807 nan 8.310 nan 0.000 0.495 545 R N -0.804 119.706 120.500 0.017 0.000 3.922 545 R HA -0.167 4.174 4.340 0.000 0.000 0.447 545 R C -0.207 176.099 176.300 0.009 0.000 1.035 545 R CA 1.092 57.199 56.100 0.012 0.000 1.289 545 R CB -2.067 28.241 30.300 0.014 0.000 1.906 545 R HN 0.735 nan 8.270 nan 0.000 0.540 546 L N 1.821 123.049 121.223 0.008 0.000 2.389 546 L HA 0.307 4.647 4.340 0.000 0.000 0.265 546 L C 1.052 177.939 176.870 0.028 0.000 1.167 546 L CA -0.146 54.703 54.840 0.015 0.000 1.045 546 L CB 0.329 42.392 42.059 0.007 0.000 1.351 546 L HN 0.252 nan 8.230 nan 0.000 0.419 547 G N 1.066 109.880 108.800 0.024 0.000 2.588 547 G HA2 0.000 3.961 3.960 0.000 0.000 0.278 547 G HA3 0.000 3.961 3.960 0.000 0.000 0.278 547 G C 0.511 175.435 174.900 0.041 0.000 1.307 547 G CA -0.251 44.859 45.100 0.017 0.000 1.016 547 G HN 0.661 nan 8.290 nan 0.000 0.503 548 E N -0.654 119.553 120.200 0.012 0.000 2.058 548 E HA -0.178 4.173 4.350 0.000 0.000 0.194 548 E C 2.190 178.833 176.600 0.073 0.000 0.997 548 E CA 1.323 57.736 56.400 0.021 0.000 0.801 548 E CB -0.063 29.630 29.700 -0.011 0.000 0.746 548 E HN 0.507 nan 8.360 nan 0.000 0.450 549 K N -0.211 120.206 120.400 0.028 0.000 2.057 549 K HA -0.109 4.211 4.320 0.000 0.000 0.206 549 K C 2.064 178.658 176.600 -0.011 0.000 1.050 549 K CA 1.664 57.949 56.287 -0.004 0.000 0.935 549 K CB -0.079 32.405 32.500 -0.027 0.000 0.715 549 K HN 0.101 nan 8.250 nan 0.000 0.439 550 T N 1.036 115.599 114.554 0.015 0.000 2.708 550 T HA -0.160 4.190 4.350 0.000 0.000 0.266 550 T C 1.441 176.160 174.700 0.031 0.000 1.037 550 T CA 1.492 63.597 62.100 0.008 0.000 1.146 550 T CB -0.418 68.460 68.868 0.017 0.000 0.865 550 T HN 0.288 nan 8.240 nan 0.000 0.435 551 F N 1.888 121.803 119.950 -0.058 0.000 2.095 551 F HA -0.151 4.376 4.527 0.000 0.000 0.298 551 F C 2.520 178.303 175.800 -0.028 0.000 1.104 551 F CA 1.964 59.926 58.000 -0.064 0.000 1.232 551 F CB -0.256 38.700 39.000 -0.074 0.000 0.987 551 F HN 0.186 nan 8.300 nan 0.000 0.475 552 E N -0.406 119.918 120.200 0.206 0.000 2.070 552 E HA -0.290 4.060 4.350 0.000 0.000 0.197 552 E C 2.135 178.750 176.600 0.025 0.000 1.004 552 E CA 1.665 58.173 56.400 0.180 0.000 0.805 552 E CB -0.169 29.557 29.700 0.042 0.000 0.744 552 E HN 0.463 nan 8.360 nan 0.000 0.451 553 Q N -0.568 119.128 119.800 -0.173 0.000 2.167 553 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 553 Q C 1.833 177.943 176.000 0.184 0.000 0.970 553 Q CA 1.376 57.078 55.803 -0.168 0.000 0.855 553 Q CB 0.055 28.682 28.738 -0.183 0.000 0.911 553 Q HN 0.392 nan 8.270 nan 0.000 0.438 554 A N 0.293 123.137 122.820 0.040 0.000 1.973 554 A HA 0.273 4.593 4.320 0.000 0.000 0.210 554 A C 2.276 179.831 177.584 -0.048 0.000 1.200 554 A CA 0.979 53.059 52.037 0.071 0.000 0.707 554 A CB -0.437 18.528 19.000 -0.059 0.000 0.862 554 A HN 0.276 nan 8.150 nan 0.000 0.461 555 A N 0.156 122.710 122.820 -0.443 0.000 1.884 555 A HA -0.022 4.298 4.320 0.000 0.000 0.219 555 A C 2.371 179.639 177.584 -0.528 0.000 1.197 555 A CA 2.154 53.733 52.037 -0.764 0.000 0.637 555 A CB -1.553 16.513 19.000 -1.557 0.000 0.827 555 A HN 0.883 nan 8.150 nan 0.000 0.450 556 G N -2.145 106.311 108.800 -0.573 0.000 2.501 556 G HA2 -0.117 3.843 3.960 0.000 0.000 0.220 556 G HA3 -0.117 3.843 3.960 0.000 0.000 0.220 556 G C 1.169 175.832 174.900 -0.396 0.000 1.114 556 G CA 1.074 45.859 45.100 -0.526 0.000 0.757 556 G HN 0.528 nan 8.290 nan 0.000 0.559 557 F N -0.430 119.521 119.950 0.001 0.000 2.717 557 F HA 0.418 4.945 4.527 0.000 0.000 0.295 557 F C 0.904 176.682 175.800 -0.037 0.000 1.117 557 F CA -0.297 57.718 58.000 0.026 0.000 1.361 557 F CB 0.427 39.459 39.000 0.053 0.000 1.112 557 F HN -0.135 nan 8.300 nan 0.000 0.594 558 L N 1.873 123.114 121.223 0.029 0.000 2.255 558 L HA 0.383 4.723 4.340 0.000 0.000 0.289 558 L C 0.025 176.857 176.870 -0.063 0.000 1.046 558 L CA -0.258 54.557 54.840 -0.042 0.000 0.816 558 L CB 0.894 42.874 42.059 -0.133 0.000 1.197 558 L HN -0.038 nan 8.230 nan 0.000 0.427 559 R N 2.244 122.731 120.500 -0.021 0.000 2.428 559 R HA 0.573 4.913 4.340 0.000 0.000 0.294 559 R C -0.938 175.362 176.300 0.000 0.000 1.000 559 R CA -0.684 55.410 56.100 -0.009 0.000 0.960 559 R CB 2.209 32.516 30.300 0.012 0.000 1.076 559 R HN 0.296 nan 8.270 nan 0.000 0.475 560 V N 5.155 125.079 119.914 0.015 0.000 2.334 560 V HA 0.266 4.386 4.120 0.000 0.000 0.281 560 V C -0.130 175.986 176.094 0.037 0.000 1.016 560 V CA -0.698 61.627 62.300 0.042 0.000 0.832 560 V CB 1.441 33.304 31.823 0.066 0.000 0.999 560 V HN 0.636 nan 8.190 nan 0.000 0.439 561 M N 4.378 124.000 119.600 0.037 0.000 2.144 561 M HA 0.444 4.924 4.480 0.000 0.000 0.356 561 M C 0.627 176.943 176.300 0.028 0.000 1.217 561 M CA 0.021 55.337 55.300 0.027 0.000 1.087 561 M CB 0.126 32.740 32.600 0.023 0.000 1.609 561 M HN 0.710 nan 8.290 nan 0.000 0.467 562 N N 1.310 120.021 118.700 0.019 0.000 2.756 562 N HA -0.121 4.619 4.740 0.000 0.000 0.248 562 N C 0.045 175.568 175.510 0.023 0.000 1.062 562 N CA 0.976 54.035 53.050 0.016 0.000 0.696 562 N CB -1.122 37.374 38.487 0.015 0.000 0.946 562 N HN 1.005 nan 8.380 nan 0.000 0.548 563 G N -0.439 108.377 108.800 0.026 0.000 2.753 563 G HA2 0.365 4.325 3.960 0.000 0.000 0.285 563 G HA3 0.365 4.325 3.960 0.000 0.000 0.285 563 G C 0.633 175.546 174.900 0.021 0.000 1.344 563 G CA -0.249 44.872 45.100 0.035 0.000 1.050 563 G HN 0.045 nan 8.290 nan 0.000 0.532 564 D N -0.495 119.920 120.400 0.026 0.000 2.312 564 D HA -0.054 4.586 4.640 0.000 0.000 0.211 564 D C 0.278 176.578 176.300 0.000 0.000 0.964 564 D CA 0.798 54.806 54.000 0.014 0.000 0.877 564 D CB 0.319 41.132 40.800 0.022 0.000 0.924 564 D HN 0.181 nan 8.370 nan 0.000 0.515 565 N N 0.422 119.123 118.700 0.002 0.000 2.443 565 N HA 0.138 4.878 4.740 0.000 0.000 0.269 565 N C -2.152 173.327 175.510 -0.052 0.000 0.985 565 N CA -1.894 51.135 53.050 -0.035 0.000 0.921 565 N CB 2.317 40.791 38.487 -0.020 0.000 1.195 565 N HN -0.289 nan 8.380 nan 0.000 0.492 566 P HA 0.007 nan 4.420 nan 0.000 0.225 566 P C 1.160 178.406 177.300 -0.089 0.000 1.148 566 P CA 0.844 63.902 63.100 -0.071 0.000 0.779 566 P CB 0.443 32.097 31.700 -0.076 0.000 0.780 567 L N -1.061 120.063 121.223 -0.164 0.000 2.418 567 L HA -0.003 4.337 4.340 0.000 0.000 0.218 567 L C 1.423 178.293 176.870 -0.001 0.000 1.125 567 L CA 0.780 55.513 54.840 -0.179 0.000 0.835 567 L CB -0.601 41.111 42.059 -0.579 0.000 0.953 567 L HN -0.111 nan 8.230 nan 0.000 0.454 568 D N 0.707 121.125 120.400 0.031 0.000 2.348 568 D HA -0.038 4.602 4.640 0.000 0.000 0.216 568 D C 1.821 178.140 176.300 0.032 0.000 0.970 568 D CA 0.800 54.847 54.000 0.079 0.000 0.889 568 D CB 0.338 41.186 40.800 0.080 0.000 0.912 568 D HN 0.260 nan 8.370 nan 0.000 0.524 569 A N 0.149 122.978 122.820 0.015 0.000 2.345 569 A HA 0.250 4.570 4.320 0.000 0.000 0.225 569 A C 1.009 178.598 177.584 0.009 0.000 1.243 569 A CA -0.069 51.974 52.037 0.010 0.000 0.875 569 A CB 0.039 19.041 19.000 0.005 0.000 0.929 569 A HN 0.170 nan 8.150 nan 0.000 0.502 570 S N -2.203 113.504 115.700 0.012 0.000 2.751 570 S HA 0.678 5.148 4.470 0.000 0.000 0.310 570 S C 0.675 175.286 174.600 0.018 0.000 1.128 570 S CA 0.016 58.224 58.200 0.013 0.000 0.931 570 S CB 1.557 64.761 63.200 0.007 0.000 1.177 570 S HN 0.784 nan 8.310 nan 0.000 0.530 571 A N 0.390 123.223 122.820 0.021 0.000 2.259 571 A HA 0.441 4.761 4.320 0.000 0.000 0.208 571 A C 0.468 178.117 177.584 0.108 0.000 1.201 571 A CA -0.213 51.843 52.037 0.032 0.000 0.824 571 A CB -0.804 18.195 19.000 -0.002 0.000 0.838 571 A HN 0.703 nan 8.150 nan 0.000 0.485 572 V N 2.434 122.403 119.914 0.091 0.000 2.485 572 V HA -0.017 4.103 4.120 0.000 0.000 0.287 572 V C 0.776 176.922 176.094 0.088 0.000 1.022 572 V CA -0.199 62.182 62.300 0.136 0.000 1.067 572 V CB -0.078 31.830 31.823 0.143 0.000 0.967 572 V HN 0.571 nan 8.190 nan 0.000 0.479 573 H N 8.410 127.406 119.070 -0.123 0.000 2.764 573 H HA 0.118 4.674 4.556 0.000 0.000 0.341 573 H C -1.636 173.424 175.328 -0.446 0.000 1.072 573 H CA -1.646 54.143 56.048 -0.431 0.000 1.444 573 H CB 1.882 31.190 29.762 -0.756 0.000 1.458 573 H HN 0.375 nan 8.280 nan 0.000 0.572 574 P HA -0.229 nan 4.420 nan 0.000 0.217 574 P C 1.188 178.234 177.300 -0.422 0.000 1.148 574 P CA 2.044 64.436 63.100 -1.180 0.000 0.834 574 P CB 0.007 31.328 31.700 -0.632 0.000 0.783 575 E N -0.456 119.831 120.200 0.146 0.000 2.333 575 E HA -0.145 4.205 4.350 0.000 0.000 0.198 575 E C 0.862 177.433 176.600 -0.047 0.000 1.007 575 E CA 1.640 58.134 56.400 0.156 0.000 0.845 575 E CB -0.996 28.835 29.700 0.219 0.000 0.766 575 E HN 0.280 nan 8.360 nan 0.000 0.507 576 T N -2.876 111.561 114.554 -0.194 0.000 3.129 576 T HA 0.128 4.478 4.350 0.000 0.000 0.267 576 T C 0.880 175.592 174.700 0.021 0.000 1.018 576 T CA -0.568 61.326 62.100 -0.344 0.000 0.903 576 T CB -0.206 68.331 68.868 -0.553 0.000 1.067 576 T HN 0.031 nan 8.240 nan 0.000 0.549 577 Y N 2.615 122.862 120.300 -0.088 0.000 2.128 577 Y HA 0.102 4.652 4.550 0.000 0.000 0.284 577 Y C -0.508 175.367 175.900 -0.043 0.000 1.154 577 Y CA 0.164 58.230 58.100 -0.057 0.000 1.149 577 Y CB -1.933 36.512 38.460 -0.025 0.000 0.976 577 Y HN 0.299 nan 8.280 nan 0.000 0.505 578 P HA -0.200 nan 4.420 nan 0.000 0.216 578 P C 2.178 179.515 177.300 0.063 0.000 1.153 578 P CA 1.449 64.608 63.100 0.098 0.000 0.858 578 P CB -0.196 31.573 31.700 0.114 0.000 0.789 579 L N -0.621 120.628 121.223 0.043 0.000 2.012 579 L HA -0.173 4.167 4.340 0.000 0.000 0.210 579 L C 2.077 178.912 176.870 -0.059 0.000 1.073 579 L CA 1.681 56.529 54.840 0.013 0.000 0.748 579 L CB -0.745 41.289 42.059 -0.041 0.000 0.891 579 L HN -0.176 nan 8.230 nan 0.000 0.431 580 V N -0.318 119.551 119.914 -0.076 0.000 2.469 580 V HA -0.351 3.769 4.120 0.000 0.000 0.251 580 V C 2.436 178.461 176.094 -0.116 0.000 1.064 580 V CA 2.122 64.345 62.300 -0.128 0.000 1.066 580 V CB -0.683 31.065 31.823 -0.125 0.000 0.667 580 V HN 0.579 nan 8.190 nan 0.000 0.461 581 Q N -0.260 119.503 119.800 -0.061 0.000 2.084 581 Q HA -0.185 4.156 4.340 0.000 0.000 0.202 581 Q C 2.506 178.495 176.000 -0.018 0.000 0.978 581 Q CA 1.534 57.316 55.803 -0.037 0.000 0.844 581 Q CB -0.062 28.676 28.738 -0.001 0.000 0.898 581 Q HN 0.535 nan 8.270 nan 0.000 0.426 582 R N -0.203 120.297 120.500 -0.001 0.000 2.120 582 R HA -0.099 4.241 4.340 0.000 0.000 0.234 582 R C 2.130 178.442 176.300 0.020 0.000 1.123 582 R CA 1.211 57.342 56.100 0.051 0.000 0.975 582 R CB -0.134 30.234 30.300 0.114 0.000 0.866 582 R HN 0.370 nan 8.270 nan 0.000 0.446 583 I N -0.033 120.425 120.570 -0.187 0.000 2.333 583 I HA -0.176 3.994 4.170 0.000 0.000 0.246 583 I C 2.535 178.588 176.117 -0.107 0.000 1.106 583 I CA 0.850 61.911 61.300 -0.398 0.000 1.411 583 I CB -0.397 37.197 38.000 -0.676 0.000 1.082 583 I HN 0.163 nan 8.210 nan 0.000 0.420 584 A N 1.163 123.940 122.820 -0.071 0.000 1.865 584 A HA -0.210 4.110 4.320 0.000 0.000 0.217 584 A C 2.583 180.185 177.584 0.031 0.000 1.191 584 A CA 2.081 54.109 52.037 -0.014 0.000 0.623 584 A CB -0.960 18.020 19.000 -0.034 0.000 0.826 584 A HN 0.413 nan 8.150 nan 0.000 0.444 585 A N -0.175 122.666 122.820 0.035 0.000 1.873 585 A HA -0.279 4.041 4.320 0.000 0.000 0.218 585 A C 1.847 179.488 177.584 0.096 0.000 1.193 585 A CA 2.374 54.446 52.037 0.058 0.000 0.629 585 A CB -1.020 18.015 19.000 0.058 0.000 0.826 585 A HN 0.573 nan 8.150 nan 0.000 0.447 586 D N -0.987 119.501 120.400 0.147 0.000 2.182 586 D HA -0.137 4.504 4.640 0.000 0.000 0.201 586 D C 1.923 178.345 176.300 0.203 0.000 0.986 586 D CA 2.015 56.139 54.000 0.208 0.000 0.847 586 D CB -0.007 41.033 40.800 0.401 0.000 0.942 586 D HN 0.558 nan 8.370 nan 0.000 0.467 587 T N -3.017 111.660 114.554 0.205 0.000 3.107 587 T HA 0.072 4.423 4.350 0.000 0.000 0.249 587 T C 0.341 175.130 174.700 0.148 0.000 1.096 587 T CA 0.007 62.267 62.100 0.266 0.000 1.012 587 T CB -0.146 68.967 68.868 0.408 0.000 0.977 587 T HN 0.240 nan 8.240 nan 0.000 0.527 588 E N 0.893 121.149 120.200 0.093 0.000 2.328 588 E HA -0.219 4.131 4.350 0.000 0.000 0.233 588 E C -0.233 176.370 176.600 0.005 0.000 1.219 588 E CA 0.409 56.835 56.400 0.043 0.000 0.717 588 E CB -1.382 28.341 29.700 0.037 0.000 1.210 588 E HN 0.689 nan 8.360 nan 0.000 0.381 589 R N -0.169 120.333 120.500 0.003 0.000 2.799 589 R HA 0.395 4.735 4.340 0.000 0.000 0.270 589 R C -0.838 175.444 176.300 -0.029 0.000 1.010 589 R CA -1.066 55.010 56.100 -0.039 0.000 0.916 589 R CB 1.247 31.491 30.300 -0.093 0.000 1.228 589 R HN -0.127 nan 8.270 nan 0.000 0.469 590 D N 0.531 120.904 120.400 -0.044 0.000 2.283 590 D HA 0.227 4.867 4.640 0.000 0.000 0.248 590 D C 1.335 177.607 176.300 -0.046 0.000 1.072 590 D CA -0.261 53.714 54.000 -0.042 0.000 0.929 590 D CB 1.072 41.847 40.800 -0.042 0.000 1.182 590 D HN 0.405 nan 8.370 nan 0.000 0.433 591 I N 1.536 122.073 120.570 -0.055 0.000 2.163 591 I HA -0.303 3.868 4.170 0.000 0.000 0.243 591 I C 2.278 178.362 176.117 -0.055 0.000 1.085 591 I CA 1.082 62.343 61.300 -0.066 0.000 1.347 591 I CB -0.165 37.775 38.000 -0.100 0.000 1.044 591 I HN 0.296 nan 8.210 nan 0.000 0.408 592 R N 0.549 121.018 120.500 -0.052 0.000 2.091 592 R HA -0.137 4.203 4.340 0.000 0.000 0.238 592 R C 2.379 178.656 176.300 -0.039 0.000 1.136 592 R CA 1.814 57.888 56.100 -0.042 0.000 0.959 592 R CB -0.747 29.530 30.300 -0.038 0.000 0.856 592 R HN 0.328 nan 8.270 nan 0.000 0.437 593 S N 1.389 117.061 115.700 -0.046 0.000 2.402 593 S HA -0.012 4.458 4.470 0.000 0.000 0.229 593 S C 2.039 176.606 174.600 -0.055 0.000 1.021 593 S CA 0.838 59.003 58.200 -0.058 0.000 0.974 593 S CB -0.117 63.037 63.200 -0.078 0.000 0.800 593 S HN 0.202 nan 8.310 nan 0.000 0.484 594 L N 0.923 122.125 121.223 -0.035 0.000 2.156 594 L HA 0.109 4.450 4.340 0.000 0.000 0.208 594 L C 0.493 177.373 176.870 0.016 0.000 1.095 594 L CA 0.517 55.362 54.840 0.008 0.000 0.770 594 L CB -0.402 41.673 42.059 0.027 0.000 0.914 594 L HN 0.220 nan 8.230 nan 0.000 0.439 595 I N 0.817 121.383 120.570 -0.006 0.000 2.581 595 I HA 0.002 4.173 4.170 0.000 0.000 0.285 595 I C 1.299 177.418 176.117 0.004 0.000 1.129 595 I CA 0.829 62.127 61.300 -0.004 0.000 1.397 595 I CB 0.168 38.158 38.000 -0.016 0.000 1.399 595 I HN 0.351 nan 8.210 nan 0.000 0.537 596 G N 4.501 113.309 108.800 0.014 0.000 2.194 596 G HA2 -0.255 3.705 3.960 0.000 0.000 0.236 596 G HA3 -0.255 3.705 3.960 0.000 0.000 0.236 596 G C 0.339 175.256 174.900 0.028 0.000 0.987 596 G CA -0.141 44.969 45.100 0.017 0.000 0.635 596 G HN 0.633 nan 8.290 nan 0.000 0.520 597 D N 1.441 121.866 120.400 0.043 0.000 2.600 597 D HA 0.462 5.102 4.640 0.000 0.000 0.226 597 D C 1.651 178.013 176.300 0.104 0.000 1.119 597 D CA 0.780 54.823 54.000 0.070 0.000 1.051 597 D CB 0.199 41.046 40.800 0.077 0.000 1.106 597 D HN 0.152 nan 8.370 nan 0.000 0.491 598 S N 1.879 117.620 115.700 0.069 0.000 2.383 598 S HA -0.211 4.259 4.470 0.000 0.000 0.229 598 S C 1.901 176.543 174.600 0.068 0.000 1.030 598 S CA 1.465 59.700 58.200 0.058 0.000 1.002 598 S CB 0.077 63.300 63.200 0.038 0.000 0.829 598 S HN 0.488 nan 8.310 nan 0.000 0.467 599 A N 0.156 123.028 122.820 0.086 0.000 1.897 599 A HA 0.110 4.430 4.320 0.000 0.000 0.215 599 A C 1.946 179.600 177.584 0.116 0.000 1.181 599 A CA 1.237 53.324 52.037 0.083 0.000 0.620 599 A CB -0.951 18.096 19.000 0.079 0.000 0.821 599 A HN 0.648 nan 8.150 nan 0.000 0.443 600 F N 0.749 120.706 119.950 0.012 0.000 2.084 600 F HA -0.105 4.422 4.527 0.000 0.000 0.296 600 F C 1.906 177.720 175.800 0.024 0.000 1.111 600 F CA 1.675 59.685 58.000 0.017 0.000 1.224 600 F CB -0.345 38.663 39.000 0.013 0.000 0.991 600 F HN 0.128 nan 8.300 nan 0.000 0.471 601 L N 0.416 121.680 121.223 0.067 0.000 2.042 601 L HA -0.263 4.077 4.340 0.000 0.000 0.210 601 L C 2.580 179.400 176.870 -0.082 0.000 1.076 601 L CA 1.874 56.693 54.840 -0.035 0.000 0.749 601 L CB -0.825 41.263 42.059 0.048 0.000 0.893 601 L HN 0.131 nan 8.230 nan 0.000 0.432 602 K N 0.384 120.761 120.400 -0.039 0.000 2.211 602 K HA -0.152 4.168 4.320 0.000 0.000 0.203 602 K C 2.210 178.773 176.600 -0.062 0.000 1.050 602 K CA 1.029 57.296 56.287 -0.033 0.000 0.945 602 K CB 0.087 32.584 32.500 -0.006 0.000 0.732 602 K HN 0.231 nan 8.250 nan 0.000 0.451 603 R N 0.339 120.772 120.500 -0.112 0.000 2.189 603 R HA 0.085 4.425 4.340 0.000 0.000 0.218 603 R C 0.519 176.725 176.300 -0.156 0.000 1.074 603 R CA 0.152 56.174 56.100 -0.130 0.000 0.991 603 R CB -0.066 30.139 30.300 -0.158 0.000 0.883 603 R HN 0.133 nan 8.270 nan 0.000 0.457 604 L N 1.138 122.244 121.223 -0.195 0.000 2.467 604 L HA 0.016 4.356 4.340 0.000 0.000 0.270 604 L C 0.260 177.115 176.870 -0.025 0.000 1.205 604 L CA -0.008 54.764 54.840 -0.113 0.000 0.828 604 L CB 0.239 42.273 42.059 -0.040 0.000 1.101 604 L HN -0.030 nan 8.230 nan 0.000 0.479 605 D N 2.747 123.134 120.400 -0.023 0.000 2.412 605 D HA 0.212 4.852 4.640 0.000 0.000 0.224 605 D C -1.693 174.602 176.300 -0.009 0.000 1.093 605 D CA -1.919 52.056 54.000 -0.041 0.000 0.850 605 D CB 1.766 42.510 40.800 -0.094 0.000 1.046 605 D HN 0.172 nan 8.370 nan 0.000 0.507 606 P HA -0.167 nan 4.420 nan 0.000 0.216 606 P C 1.048 178.412 177.300 0.105 0.000 1.150 606 P CA 1.286 64.490 63.100 0.172 0.000 0.843 606 P CB 0.350 32.108 31.700 0.096 0.000 0.787 607 K N -0.056 120.347 120.400 0.004 0.000 2.209 607 K HA -0.172 4.148 4.320 0.000 0.000 0.204 607 K C 2.045 178.585 176.600 -0.100 0.000 1.048 607 K CA 1.184 57.456 56.287 -0.025 0.000 0.940 607 K CB -0.332 32.147 32.500 -0.034 0.000 0.729 607 K HN 0.152 nan 8.250 nan 0.000 0.451 608 K N 0.477 120.718 120.400 -0.265 0.000 2.360 608 K HA -0.120 4.201 4.320 0.000 0.000 0.201 608 K C 1.076 177.381 176.600 -0.490 0.000 1.046 608 K CA 1.270 57.267 56.287 -0.484 0.000 0.945 608 K CB 0.053 32.075 32.500 -0.797 0.000 0.750 608 K HN 0.098 nan 8.250 nan 0.000 0.464 609 F N 0.105 120.068 119.950 0.021 0.000 2.727 609 F HA 0.094 4.621 4.527 0.000 0.000 0.302 609 F C 1.023 176.859 175.800 0.060 0.000 1.107 609 F CA -0.432 57.590 58.000 0.036 0.000 1.277 609 F CB 0.185 39.201 39.000 0.028 0.000 1.079 609 F HN -0.060 nan 8.300 nan 0.000 0.594 610 T N -0.536 114.136 114.554 0.197 0.000 2.680 610 T HA 0.356 4.706 4.350 0.000 0.000 0.314 610 T C -0.335 174.445 174.700 0.133 0.000 1.045 610 T CA -0.125 62.072 62.100 0.163 0.000 1.025 610 T CB 1.235 70.167 68.868 0.106 0.000 1.000 610 T HN 0.278 nan 8.240 nan 0.000 0.535 611 D N -0.727 119.742 120.400 0.116 0.000 3.309 611 D HA 0.281 4.921 4.640 0.000 0.000 0.335 611 D C 0.664 176.971 176.300 0.011 0.000 1.393 611 D CA -0.693 53.344 54.000 0.062 0.000 0.963 611 D CB -0.015 40.829 40.800 0.074 0.000 1.431 611 D HN 0.379 nan 8.370 nan 0.000 0.583 612 E N -0.388 119.794 120.200 -0.029 0.000 2.031 612 E HA -0.027 4.323 4.350 0.000 0.000 0.193 612 E C 1.767 178.295 176.600 -0.120 0.000 0.994 612 E CA 2.428 58.791 56.400 -0.060 0.000 0.800 612 E CB -0.599 29.063 29.700 -0.063 0.000 0.752 612 E HN 0.533 nan 8.360 nan 0.000 0.447 613 T N -0.056 114.348 114.554 -0.250 0.000 2.814 613 T HA 0.056 4.406 4.350 0.000 0.000 0.254 613 T C 0.276 174.705 174.700 -0.452 0.000 1.037 613 T CA 0.680 62.488 62.100 -0.487 0.000 1.143 613 T CB -0.185 68.116 68.868 -0.946 0.000 0.866 613 T HN 0.001 nan 8.240 nan 0.000 0.431 614 F N 1.960 121.929 119.950 0.032 0.000 2.303 614 F HA 0.579 5.107 4.527 0.000 0.000 0.368 614 F C 1.124 176.948 175.800 0.040 0.000 1.105 614 F CA -1.239 56.782 58.000 0.036 0.000 1.153 614 F CB 0.686 39.714 39.000 0.047 0.000 1.362 614 F HN 0.125 nan 8.300 nan 0.000 0.511 615 G N 1.613 110.515 108.800 0.169 0.000 2.543 615 G HA2 0.227 4.187 3.960 0.000 0.000 0.267 615 G HA3 0.227 4.187 3.960 0.000 0.000 0.267 615 G C 0.752 175.716 174.900 0.106 0.000 1.406 615 G CA -0.544 44.620 45.100 0.106 0.000 1.048 615 G HN 0.474 nan 8.290 nan 0.000 0.548 616 L N 1.038 122.303 121.223 0.071 0.000 2.013 616 L HA -0.003 4.337 4.340 0.000 0.000 0.212 616 L C 0.164 177.065 176.870 0.051 0.000 1.073 616 L CA 2.191 57.066 54.840 0.059 0.000 0.753 616 L CB -1.206 40.875 42.059 0.037 0.000 0.890 616 L HN 0.278 nan 8.230 nan 0.000 0.432 617 P HA -0.134 nan 4.420 nan 0.000 0.214 617 P C 1.699 179.012 177.300 0.023 0.000 1.163 617 P CA 1.988 65.100 63.100 0.021 0.000 0.889 617 P CB -0.182 31.526 31.700 0.013 0.000 0.790 618 T N -0.562 114.026 114.554 0.057 0.000 2.684 618 T HA -0.121 4.229 4.350 0.000 0.000 0.267 618 T C 1.842 176.563 174.700 0.034 0.000 1.036 618 T CA 1.574 63.710 62.100 0.060 0.000 1.148 618 T CB -1.122 67.837 68.868 0.152 0.000 0.863 618 T HN -0.113 nan 8.240 nan 0.000 0.436 619 V N 2.204 122.157 119.914 0.064 0.000 2.427 619 V HA -0.171 3.949 4.120 0.000 0.000 0.248 619 V C 2.937 179.050 176.094 0.032 0.000 1.051 619 V CA 2.082 64.415 62.300 0.056 0.000 1.048 619 V CB -1.422 30.474 31.823 0.121 0.000 0.666 619 V HN 0.719 nan 8.190 nan 0.000 0.456 620 T N -2.074 112.499 114.554 0.031 0.000 2.867 620 T HA -0.192 4.158 4.350 0.000 0.000 0.268 620 T C 1.526 176.224 174.700 -0.003 0.000 1.057 620 T CA 1.499 63.609 62.100 0.016 0.000 1.136 620 T CB -0.356 68.520 68.868 0.014 0.000 0.874 620 T HN 0.396 nan 8.240 nan 0.000 0.466 621 D N 1.367 121.760 120.400 -0.012 0.000 2.123 621 D HA 0.102 4.742 4.640 0.000 0.000 0.200 621 D C 2.150 178.436 176.300 -0.025 0.000 0.976 621 D CA 0.607 54.589 54.000 -0.029 0.000 0.831 621 D CB -0.309 40.458 40.800 -0.056 0.000 0.974 621 D HN 0.388 nan 8.370 nan 0.000 0.469 622 I N 0.731 121.287 120.570 -0.022 0.000 2.264 622 I HA -0.245 3.925 4.170 0.000 0.000 0.248 622 I C 2.329 178.423 176.117 -0.037 0.000 1.111 622 I CA 0.743 62.024 61.300 -0.030 0.000 1.382 622 I CB -0.109 37.860 38.000 -0.052 0.000 1.060 622 I HN -0.005 nan 8.210 nan 0.000 0.418 623 L N 0.232 121.436 121.223 -0.032 0.000 2.109 623 L HA -0.168 4.173 4.340 0.000 0.000 0.207 623 L C 2.526 179.387 176.870 -0.015 0.000 1.086 623 L CA 1.260 56.082 54.840 -0.029 0.000 0.760 623 L CB -0.449 41.600 42.059 -0.017 0.000 0.910 623 L HN 0.152 nan 8.230 nan 0.000 0.437 624 K N -0.322 120.071 120.400 -0.012 0.000 2.057 624 K HA -0.170 4.150 4.320 0.000 0.000 0.207 624 K C 2.066 178.662 176.600 -0.008 0.000 1.049 624 K CA 1.039 57.321 56.287 -0.008 0.000 0.931 624 K CB -0.025 32.468 32.500 -0.011 0.000 0.714 624 K HN 0.193 nan 8.250 nan 0.000 0.440 625 E N 1.076 121.268 120.200 -0.013 0.000 2.051 625 E HA -0.145 4.205 4.350 0.000 0.000 0.192 625 E C 2.104 178.697 176.600 -0.012 0.000 0.991 625 E CA 0.993 57.387 56.400 -0.010 0.000 0.799 625 E CB -0.214 29.481 29.700 -0.009 0.000 0.748 625 E HN 0.297 nan 8.360 nan 0.000 0.449 626 L N 1.036 122.248 121.223 -0.019 0.000 2.127 626 L HA -0.219 4.121 4.340 0.000 0.000 0.211 626 L C 2.335 179.204 176.870 -0.001 0.000 1.089 626 L CA 1.162 55.991 54.840 -0.018 0.000 0.757 626 L CB -0.405 41.640 42.059 -0.024 0.000 0.899 626 L HN 0.080 nan 8.230 nan 0.000 0.434 627 D N 0.798 121.201 120.400 0.005 0.000 2.077 627 D HA -0.113 4.527 4.640 0.000 0.000 0.197 627 D C 0.606 176.911 176.300 0.009 0.000 0.983 627 D CA 1.366 55.374 54.000 0.013 0.000 0.841 627 D CB 0.232 41.041 40.800 0.015 0.000 0.992 627 D HN 0.110 nan 8.370 nan 0.000 0.450 628 K N 0.602 121.005 120.400 0.006 0.000 2.592 628 K HA 0.370 4.691 4.320 0.000 0.000 0.212 628 K C -2.575 174.028 176.600 0.004 0.000 1.013 628 K CA -1.711 54.579 56.287 0.006 0.000 1.034 628 K CB 2.276 34.782 32.500 0.009 0.000 1.292 628 K HN 0.075 nan 8.250 nan 0.000 0.521 629 P HA -0.009 nan 4.420 nan 0.000 0.267 629 P C 0.660 177.964 177.300 0.007 0.000 1.205 629 P CA 0.361 63.462 63.100 0.000 0.000 0.765 629 P CB 0.732 32.429 31.700 -0.005 0.000 0.828 630 G N 2.690 111.496 108.800 0.010 0.000 2.390 630 G HA2 -0.337 3.623 3.960 0.000 0.000 0.299 630 G HA3 -0.337 3.623 3.960 0.000 0.000 0.299 630 G C 0.383 175.294 174.900 0.019 0.000 1.002 630 G CA -0.131 44.979 45.100 0.017 0.000 0.979 630 G HN 0.721 nan 8.290 nan 0.000 0.513 631 R N 0.123 120.632 120.500 0.016 0.000 2.583 631 R HA 0.106 4.446 4.340 0.000 0.000 0.274 631 R C -0.139 176.175 176.300 0.023 0.000 0.998 631 R CA -0.083 56.028 56.100 0.018 0.000 1.081 631 R CB 0.300 30.609 30.300 0.015 0.000 0.940 631 R HN 0.220 nan 8.270 nan 0.000 0.413 632 D N 5.437 125.851 120.400 0.024 0.000 2.343 632 D HA 0.073 4.713 4.640 0.000 0.000 0.255 632 D C -1.404 174.912 176.300 0.027 0.000 1.187 632 D CA -1.890 52.126 54.000 0.026 0.000 0.875 632 D CB 1.475 42.290 40.800 0.024 0.000 1.136 632 D HN 0.411 nan 8.370 nan 0.000 0.469 633 P HA 0.007 nan 4.420 nan 0.000 0.236 633 P C 0.200 177.516 177.300 0.027 0.000 1.177 633 P CA 0.200 63.317 63.100 0.028 0.000 0.773 633 P CB 0.594 32.313 31.700 0.031 0.000 0.878 634 R N 1.396 121.911 120.500 0.024 0.000 2.582 634 R HA 0.311 4.651 4.340 0.000 0.000 0.271 634 R C -1.822 174.503 176.300 0.043 0.000 1.078 634 R CA -1.742 54.373 56.100 0.026 0.000 1.127 634 R CB -0.465 29.847 30.300 0.019 0.000 1.038 634 R HN 0.103 nan 8.270 nan 0.000 0.500 635 P HA -0.108 nan 4.420 nan 0.000 0.266 635 P C -0.799 176.553 177.300 0.088 0.000 1.193 635 P CA 0.265 63.402 63.100 0.062 0.000 0.770 635 P CB 0.494 32.233 31.700 0.065 0.000 0.836 636 E N 1.558 121.807 120.200 0.081 0.000 2.338 636 E HA 0.127 4.477 4.350 0.000 0.000 0.272 636 E C -0.914 175.778 176.600 0.154 0.000 1.029 636 E CA -0.583 55.881 56.400 0.107 0.000 0.872 636 E CB 0.193 29.936 29.700 0.071 0.000 1.015 636 E HN 0.247 nan 8.360 nan 0.000 0.417 637 F N 4.650 124.630 119.950 0.049 0.000 2.438 637 F HA 0.252 4.779 4.527 0.000 0.000 0.356 637 F C -0.381 175.471 175.800 0.087 0.000 1.099 637 F CA -0.255 57.791 58.000 0.076 0.000 1.185 637 F CB 0.552 39.577 39.000 0.042 0.000 1.115 637 F HN 0.195 nan 8.300 nan 0.000 0.526 638 K N 4.888 125.071 120.400 -0.361 0.000 2.413 638 K HA 0.213 4.533 4.320 0.000 0.000 0.257 638 K C 0.649 177.098 176.600 -0.252 0.000 0.946 638 K CA -0.355 55.815 56.287 -0.195 0.000 0.823 638 K CB 1.696 34.129 32.500 -0.111 0.000 1.109 638 K HN 0.662 nan 8.250 nan 0.000 0.427 639 T N 1.276 115.791 114.554 -0.065 0.000 2.915 639 T HA -0.113 4.237 4.350 0.000 0.000 0.269 639 T C 1.706 176.437 174.700 0.052 0.000 1.071 639 T CA 1.515 63.636 62.100 0.036 0.000 1.132 639 T CB 0.137 69.065 68.868 0.101 0.000 0.878 639 T HN 0.670 nan 8.240 nan 0.000 0.479 640 A N 1.449 124.274 122.820 0.009 0.000 2.024 640 A HA -0.092 4.228 4.320 0.000 0.000 0.220 640 A C 1.176 178.742 177.584 -0.029 0.000 1.164 640 A CA 1.069 53.104 52.037 -0.003 0.000 0.643 640 A CB -0.271 18.718 19.000 -0.018 0.000 0.806 640 A HN 0.604 nan 8.150 nan 0.000 0.451 641 E N -3.069 117.087 120.200 -0.072 0.000 2.351 641 E HA 0.488 4.838 4.350 0.000 0.000 0.255 641 E C 0.084 176.655 176.600 -0.047 0.000 1.188 641 E CA -0.482 55.781 56.400 -0.229 0.000 0.940 641 E CB 0.138 29.494 29.700 -0.573 0.000 1.094 641 E HN 0.285 nan 8.360 nan 0.000 0.474 642 F N -2.044 117.866 119.950 -0.068 0.000 2.582 642 F HA -0.318 4.209 4.527 0.000 0.000 0.606 642 F C 0.578 176.371 175.800 -0.012 0.000 0.501 642 F CA 0.984 58.962 58.000 -0.036 0.000 0.880 642 F CB -1.061 37.917 39.000 -0.037 0.000 1.700 642 F HN 0.418 nan 8.300 nan 0.000 0.259 643 Q N 3.295 123.181 119.800 0.142 0.000 2.263 643 Q HA 0.136 4.477 4.340 0.000 0.000 0.270 643 Q C 0.610 176.642 176.000 0.053 0.000 1.104 643 Q CA 0.226 56.083 55.803 0.091 0.000 0.909 643 Q CB 0.618 29.396 28.738 0.067 0.000 1.214 643 Q HN 0.405 nan 8.270 nan 0.000 0.400 644 E N 1.341 121.576 120.200 0.058 0.000 2.330 644 E HA 0.346 4.696 4.350 0.000 0.000 0.256 644 E C 0.597 177.218 176.600 0.035 0.000 1.146 644 E CA -0.291 56.133 56.400 0.040 0.000 0.945 644 E CB 0.590 30.318 29.700 0.047 0.000 1.182 644 E HN 0.700 nan 8.360 nan 0.000 0.480 645 G N -0.606 108.211 108.800 0.028 0.000 2.143 645 G HA2 -0.239 3.722 3.960 0.000 0.000 0.248 645 G HA3 -0.239 3.722 3.960 0.000 0.000 0.248 645 G C 0.048 174.963 174.900 0.025 0.000 0.991 645 G CA 0.228 45.345 45.100 0.027 0.000 0.689 645 G HN 0.386 nan 8.290 nan 0.000 0.522 646 V N 0.240 120.166 119.914 0.019 0.000 2.521 646 V HA 0.367 4.487 4.120 0.000 0.000 0.286 646 V C 0.930 177.039 176.094 0.025 0.000 1.034 646 V CA 0.979 63.291 62.300 0.019 0.000 1.045 646 V CB 1.252 33.081 31.823 0.010 0.000 0.974 646 V HN 0.494 nan 8.190 nan 0.000 0.480 647 E N 2.571 122.795 120.200 0.039 0.000 2.968 647 E HA 0.292 4.642 4.350 0.000 0.000 0.202 647 E C -0.264 176.389 176.600 0.088 0.000 0.979 647 E CA -0.021 56.419 56.400 0.066 0.000 1.192 647 E CB 1.235 30.983 29.700 0.079 0.000 1.059 647 E HN 0.519 nan 8.360 nan 0.000 0.470 648 S N 0.294 116.028 115.700 0.058 0.000 2.536 648 S HA 0.242 4.712 4.470 0.000 0.000 0.271 648 S C 0.168 174.791 174.600 0.037 0.000 1.134 648 S CA -0.619 57.611 58.200 0.051 0.000 0.897 648 S CB 1.409 64.628 63.200 0.032 0.000 1.094 648 S HN 0.248 nan 8.310 nan 0.000 0.473 649 L N 5.281 126.527 121.223 0.037 0.000 2.079 649 L HA -0.011 4.329 4.340 0.000 0.000 0.210 649 L C 2.171 179.051 176.870 0.016 0.000 1.081 649 L CA 1.973 56.829 54.840 0.026 0.000 0.752 649 L CB -0.378 41.698 42.059 0.028 0.000 0.896 649 L HN 0.764 nan 8.230 nan 0.000 0.433 650 K N -0.559 119.850 120.400 0.015 0.000 2.001 650 K HA -0.205 4.115 4.320 0.000 0.000 0.214 650 K C 1.516 178.120 176.600 0.007 0.000 1.050 650 K CA 1.842 58.135 56.287 0.010 0.000 0.934 650 K CB -0.408 32.097 32.500 0.010 0.000 0.718 650 K HN 0.299 nan 8.250 nan 0.000 0.443 651 D N 0.657 121.063 120.400 0.010 0.000 2.378 651 D HA 0.010 4.650 4.640 0.000 0.000 0.227 651 D C 0.178 176.478 176.300 -0.001 0.000 1.012 651 D CA 0.514 54.518 54.000 0.007 0.000 0.905 651 D CB -0.119 40.688 40.800 0.012 0.000 0.895 651 D HN 0.119 nan 8.370 nan 0.000 0.532 652 L N 1.072 122.294 121.223 -0.001 0.000 2.367 652 L HA 0.138 4.478 4.340 0.000 0.000 0.275 652 L C 0.812 177.670 176.870 -0.019 0.000 1.129 652 L CA 0.168 55.001 54.840 -0.012 0.000 0.839 652 L CB 0.711 42.766 42.059 -0.007 0.000 1.133 652 L HN -0.367 nan 8.230 nan 0.000 0.453 653 K N 4.834 125.213 120.400 -0.034 0.000 2.323 653 K HA 0.370 4.690 4.320 0.000 0.000 0.259 653 K C -2.405 174.164 176.600 -0.053 0.000 0.947 653 K CA -1.852 54.411 56.287 -0.041 0.000 0.819 653 K CB 2.137 34.607 32.500 -0.049 0.000 1.109 653 K HN 0.224 nan 8.250 nan 0.000 0.429 654 P HA -0.010 nan 4.420 nan 0.000 0.258 654 P C 0.332 177.595 177.300 -0.061 0.000 1.214 654 P CA 0.607 63.682 63.100 -0.043 0.000 0.872 654 P CB -0.071 31.612 31.700 -0.029 0.000 0.890 655 G N 2.351 111.103 108.800 -0.080 0.000 2.161 655 G HA2 -0.117 3.843 3.960 0.000 0.000 0.140 655 G HA3 -0.117 3.843 3.960 0.000 0.000 0.140 655 G C -0.154 174.644 174.900 -0.170 0.000 1.040 655 G CA -0.614 44.421 45.100 -0.108 0.000 0.735 655 G HN 0.371 nan 8.290 nan 0.000 0.496 656 M N 0.113 119.619 119.600 -0.157 0.000 2.494 656 M HA 0.658 5.139 4.480 0.000 0.000 0.300 656 M C 0.068 176.265 176.300 -0.172 0.000 1.189 656 M CA -0.915 54.261 55.300 -0.207 0.000 0.982 656 M CB 2.124 34.632 32.600 -0.153 0.000 1.534 656 M HN -0.103 nan 8.290 nan 0.000 0.488 657 V N 3.389 123.191 119.914 -0.187 0.000 2.326 657 V HA 0.371 4.491 4.120 0.000 0.000 0.281 657 V C -0.298 175.748 176.094 -0.079 0.000 1.015 657 V CA -0.617 61.611 62.300 -0.120 0.000 0.823 657 V CB 1.075 32.829 31.823 -0.116 0.000 1.009 657 V HN 0.567 nan 8.190 nan 0.000 0.436 658 L N 3.175 124.363 121.223 -0.057 0.000 2.397 658 L HA 0.661 5.001 4.340 0.000 0.000 0.266 658 L C 0.251 177.105 176.870 -0.027 0.000 1.040 658 L CA -0.398 54.419 54.840 -0.038 0.000 0.800 658 L CB 1.654 43.692 42.059 -0.035 0.000 1.324 658 L HN 0.664 nan 8.230 nan 0.000 0.469 659 E N -0.155 120.033 120.200 -0.019 0.000 2.331 659 E HA 0.476 4.826 4.350 0.000 0.000 0.243 659 E C -0.577 176.013 176.600 -0.018 0.000 0.925 659 E CA -0.300 56.090 56.400 -0.016 0.000 0.760 659 E CB 1.277 30.972 29.700 -0.008 0.000 1.254 659 E HN 0.784 nan 8.360 nan 0.000 0.419 660 G N 1.509 110.296 108.800 -0.021 0.000 2.491 660 G HA2 0.522 4.482 3.960 0.000 0.000 0.327 660 G HA3 0.522 4.482 3.960 0.000 0.000 0.327 660 G C -0.657 174.231 174.900 -0.020 0.000 1.189 660 G CA -0.437 44.650 45.100 -0.021 0.000 0.956 660 G HN 0.297 nan 8.290 nan 0.000 0.491 661 V N 0.061 119.964 119.914 -0.019 0.000 2.547 661 V HA 0.309 4.429 4.120 0.000 0.000 0.299 661 V C 0.192 176.280 176.094 -0.010 0.000 1.040 661 V CA -0.720 61.571 62.300 -0.016 0.000 0.913 661 V CB 1.753 33.566 31.823 -0.016 0.000 0.992 661 V HN 0.502 nan 8.190 nan 0.000 0.449 662 V N 4.329 124.237 119.914 -0.011 0.000 2.446 662 V HA 0.088 4.208 4.120 0.000 0.000 0.276 662 V C 1.576 177.676 176.094 0.010 0.000 1.030 662 V CA 0.729 63.026 62.300 -0.004 0.000 1.033 662 V CB 0.664 32.475 31.823 -0.020 0.000 0.993 662 V HN 1.160 nan 8.190 nan 0.000 0.477 663 T N 1.652 116.227 114.554 0.034 0.000 2.851 663 T HA 0.048 4.398 4.350 0.000 0.000 0.262 663 T C 0.730 175.449 174.700 0.033 0.000 1.043 663 T CA 0.496 62.612 62.100 0.027 0.000 1.140 663 T CB 0.088 68.973 68.868 0.029 0.000 0.872 663 T HN 0.574 nan 8.240 nan 0.000 0.446 664 N N -0.149 118.596 118.700 0.075 0.000 2.396 664 N HA 0.525 5.265 4.740 0.000 0.000 0.275 664 N C -2.139 173.405 175.510 0.058 0.000 1.218 664 N CA -0.533 52.562 53.050 0.075 0.000 0.812 664 N CB 3.072 41.608 38.487 0.083 0.000 1.592 664 N HN 0.171 nan 8.380 nan 0.000 0.480 665 V N 0.773 120.674 119.914 -0.022 0.000 2.604 665 V HA 0.760 4.880 4.120 0.000 0.000 0.305 665 V C -0.213 175.672 176.094 -0.348 0.000 1.043 665 V CA -0.068 62.107 62.300 -0.209 0.000 0.888 665 V CB 1.539 33.208 31.823 -0.256 0.000 0.995 665 V HN 0.932 nan 8.190 nan 0.000 0.429 666 T N 2.132 116.333 114.554 -0.589 0.000 2.888 666 T HA 0.432 4.782 4.350 0.000 0.000 0.288 666 T C 0.567 174.775 174.700 -0.819 0.000 1.063 666 T CA -0.351 61.342 62.100 -0.679 0.000 1.010 666 T CB 1.397 69.646 68.868 -1.033 0.000 1.214 666 T HN 0.578 nan 8.240 nan 0.000 0.533 667 N N -0.326 118.113 118.700 -0.433 0.000 2.585 667 N HA 0.091 4.831 4.740 0.000 0.000 0.188 667 N C 0.567 176.017 175.510 -0.100 0.000 1.102 667 N CA 0.941 53.916 53.050 -0.125 0.000 0.920 667 N CB -0.480 38.100 38.487 0.154 0.000 0.963 667 N HN 0.692 nan 8.380 nan 0.000 0.447 668 F N -3.562 116.328 119.950 -0.099 0.000 2.781 668 F HA 0.657 5.185 4.527 0.000 0.000 0.322 668 F C 0.704 176.401 175.800 -0.171 0.000 1.108 668 F CA -0.547 57.399 58.000 -0.091 0.000 1.179 668 F CB 0.314 39.294 39.000 -0.033 0.000 1.072 668 F HN -0.083 nan 8.300 nan 0.000 0.545 669 G N 0.540 109.092 108.800 -0.412 0.000 2.351 669 G HA2 0.542 4.502 3.960 0.000 0.000 0.279 669 G HA3 0.542 4.502 3.960 0.000 0.000 0.279 669 G C -2.070 172.508 174.900 -0.535 0.000 1.297 669 G CA -0.243 44.623 45.100 -0.391 0.000 0.886 669 G HN 0.701 nan 8.290 nan 0.000 0.493 670 A N -1.010 121.499 122.820 -0.518 0.000 2.475 670 A HA 0.859 5.179 4.320 0.000 0.000 0.301 670 A C -1.590 175.684 177.584 -0.516 0.000 1.059 670 A CA -0.585 51.197 52.037 -0.425 0.000 0.710 670 A CB 1.219 20.067 19.000 -0.252 0.000 1.288 670 A HN 1.024 nan 8.150 nan 0.000 0.408 671 F N 1.141 121.015 119.950 -0.127 0.000 2.436 671 F HA 0.582 5.110 4.527 0.000 0.000 0.340 671 F C 0.130 175.888 175.800 -0.069 0.000 1.113 671 F CA -0.407 57.543 58.000 -0.084 0.000 1.022 671 F CB 2.209 41.169 39.000 -0.066 0.000 1.128 671 F HN 0.304 nan 8.300 nan 0.000 0.466 672 V N 1.685 121.656 119.914 0.096 0.000 2.680 672 V HA 0.310 4.430 4.120 0.000 0.000 0.309 672 V C -1.066 175.048 176.094 0.034 0.000 1.052 672 V CA -0.868 61.453 62.300 0.035 0.000 0.908 672 V CB 2.106 33.922 31.823 -0.012 0.000 1.001 672 V HN 0.622 nan 8.190 nan 0.000 0.431 673 D N 3.274 123.680 120.400 0.009 0.000 2.412 673 D HA 0.363 5.004 4.640 0.000 0.000 0.224 673 D C 0.827 177.110 176.300 -0.028 0.000 1.093 673 D CA -0.456 53.536 54.000 -0.013 0.000 0.850 673 D CB 1.001 41.783 40.800 -0.029 0.000 1.046 673 D HN 0.555 nan 8.370 nan 0.000 0.507 674 I N 0.749 121.303 120.570 -0.028 0.000 3.793 674 I HA 0.417 4.587 4.170 0.000 0.000 0.315 674 I C 1.151 177.241 176.117 -0.045 0.000 1.275 674 I CA -0.136 61.146 61.300 -0.030 0.000 1.214 674 I CB -0.020 37.968 38.000 -0.021 0.000 1.018 674 I HN 0.510 nan 8.210 nan 0.000 0.439 675 G N 2.302 111.055 108.800 -0.078 0.000 2.140 675 G HA2 -0.204 3.757 3.960 0.000 0.000 0.211 675 G HA3 -0.204 3.757 3.960 0.000 0.000 0.211 675 G C 0.416 175.245 174.900 -0.118 0.000 1.013 675 G CA 0.098 45.119 45.100 -0.131 0.000 0.705 675 G HN 0.697 nan 8.290 nan 0.000 0.508 676 V N -3.302 116.572 119.914 -0.066 0.000 3.214 676 V HA 0.426 4.546 4.120 0.000 0.000 0.330 676 V C 1.293 177.471 176.094 0.139 0.000 1.403 676 V CA 0.532 62.863 62.300 0.052 0.000 1.143 676 V CB -1.002 30.851 31.823 0.049 0.000 1.098 676 V HN 0.736 nan 8.190 nan 0.000 0.463 677 H N -0.373 118.700 119.070 0.004 0.000 2.958 677 H HA -0.182 4.374 4.556 0.000 0.000 0.274 677 H C 0.348 175.677 175.328 0.002 0.000 1.184 677 H CA 1.415 57.464 56.048 0.001 0.000 1.143 677 H CB -0.988 28.774 29.762 -0.000 0.000 1.297 677 H HN 0.809 nan 8.280 nan 0.000 0.356 678 Q N 1.090 120.930 119.800 0.066 0.000 2.295 678 Q HA 0.339 4.679 4.340 0.000 0.000 0.268 678 Q C -1.661 174.364 176.000 0.041 0.000 1.010 678 Q CA -0.666 55.168 55.803 0.051 0.000 0.856 678 Q CB 1.655 30.427 28.738 0.057 0.000 1.349 678 Q HN 0.079 nan 8.270 nan 0.000 0.412 679 D N 1.702 122.134 120.400 0.054 0.000 2.341 679 D HA 0.507 5.147 4.640 0.000 0.000 0.245 679 D C -0.116 176.260 176.300 0.126 0.000 1.106 679 D CA 0.445 54.502 54.000 0.096 0.000 0.905 679 D CB 1.254 42.141 40.800 0.145 0.000 1.202 679 D HN 0.634 nan 8.370 nan 0.000 0.426 680 G N 0.543 109.402 108.800 0.098 0.000 2.389 680 G HA2 0.455 4.415 3.960 0.000 0.000 0.317 680 G HA3 0.455 4.415 3.960 0.000 0.000 0.317 680 G C -0.956 173.955 174.900 0.019 0.000 1.137 680 G CA -0.503 44.632 45.100 0.058 0.000 0.870 680 G HN 0.368 nan 8.290 nan 0.000 0.496 681 L N 3.016 124.190 121.223 -0.083 0.000 2.272 681 L HA 0.470 4.810 4.340 0.000 0.000 0.284 681 L C -0.160 176.506 176.870 -0.339 0.000 1.045 681 L CA -0.537 54.071 54.840 -0.387 0.000 0.842 681 L CB 1.302 43.093 42.059 -0.447 0.000 1.224 681 L HN 0.197 nan 8.230 nan 0.000 0.430 682 V N 6.210 125.935 119.914 -0.316 0.000 2.415 682 V HA 0.142 4.262 4.120 0.000 0.000 0.267 682 V C 0.913 176.859 176.094 -0.247 0.000 1.042 682 V CA -0.381 61.799 62.300 -0.200 0.000 1.000 682 V CB -0.463 31.267 31.823 -0.156 0.000 1.015 682 V HN 0.666 nan 8.190 nan 0.000 0.478 683 H N 3.318 122.304 119.070 -0.139 0.000 2.767 683 H HA 0.088 4.645 4.556 0.000 0.000 0.380 683 H C 1.363 176.619 175.328 -0.121 0.000 1.409 683 H CA 0.563 56.547 56.048 -0.108 0.000 1.463 683 H CB 1.394 31.116 29.762 -0.068 0.000 1.514 683 H HN 0.600 nan 8.280 nan 0.000 0.619 684 I N 0.724 121.323 120.570 0.049 0.000 2.226 684 I HA -0.269 3.901 4.170 0.000 0.000 0.245 684 I C 2.024 178.082 176.117 -0.098 0.000 1.100 684 I CA 1.784 63.048 61.300 -0.059 0.000 1.374 684 I CB -0.077 37.902 38.000 -0.036 0.000 1.057 684 I HN 0.496 nan 8.210 nan 0.000 0.413 685 S N 0.573 116.233 115.700 -0.066 0.000 2.558 685 S HA 0.224 4.694 4.470 0.000 0.000 0.217 685 S C 1.810 176.373 174.600 -0.061 0.000 0.975 685 S CA 0.294 58.434 58.200 -0.099 0.000 0.912 685 S CB 0.107 63.263 63.200 -0.074 0.000 0.776 685 S HN 0.480 nan 8.310 nan 0.000 0.526 686 A N 1.536 124.338 122.820 -0.031 0.000 2.123 686 A HA 0.408 4.728 4.320 0.000 0.000 0.214 686 A C 1.968 179.523 177.584 -0.049 0.000 1.152 686 A CA 0.192 52.215 52.037 -0.024 0.000 0.728 686 A CB -0.584 18.423 19.000 0.012 0.000 0.814 686 A HN 0.508 nan 8.150 nan 0.000 0.464 687 L N -0.830 120.348 121.223 -0.075 0.000 2.131 687 L HA -0.030 4.310 4.340 0.000 0.000 0.210 687 L C 1.254 178.082 176.870 -0.071 0.000 1.092 687 L CA 1.018 55.805 54.840 -0.089 0.000 0.759 687 L CB -0.106 41.880 42.059 -0.121 0.000 0.903 687 L HN 0.377 nan 8.230 nan 0.000 0.435 688 S N -1.607 114.053 115.700 -0.067 0.000 2.548 688 S HA 0.150 4.620 4.470 0.000 0.000 0.286 688 S C 0.636 175.222 174.600 -0.024 0.000 1.098 688 S CA -0.761 57.411 58.200 -0.046 0.000 0.930 688 S CB 1.960 65.127 63.200 -0.054 0.000 1.070 688 S HN 0.223 nan 8.310 nan 0.000 0.480 689 E N 2.537 122.731 120.200 -0.009 0.000 2.077 689 E HA -0.114 4.237 4.350 0.000 0.000 0.193 689 E C 0.463 177.078 176.600 0.024 0.000 0.989 689 E CA 1.223 57.626 56.400 0.005 0.000 0.800 689 E CB 0.024 29.727 29.700 0.006 0.000 0.746 689 E HN 0.634 nan 8.360 nan 0.000 0.452 690 K N -0.459 119.961 120.400 0.033 0.000 2.976 690 K HA 0.152 4.473 4.320 0.000 0.000 0.335 690 K C 0.158 176.829 176.600 0.117 0.000 0.990 690 K CA -0.563 55.769 56.287 0.076 0.000 1.231 690 K CB -0.056 32.490 32.500 0.077 0.000 1.331 690 K HN -0.057 nan 8.250 nan 0.000 0.556 691 F N 0.756 120.705 119.950 -0.001 0.000 2.422 691 F HA 0.339 4.867 4.527 0.000 0.000 0.333 691 F C -0.901 174.899 175.800 0.001 0.000 1.095 691 F CA -0.859 57.142 58.000 0.001 0.000 1.038 691 F CB 1.210 40.212 39.000 0.003 0.000 1.156 691 F HN -0.065 nan 8.300 nan 0.000 0.483 692 V N 7.546 126.928 119.914 -0.886 0.000 2.334 692 V HA 0.231 4.351 4.120 0.000 0.000 0.281 692 V C 0.536 176.177 176.094 -0.754 0.000 1.016 692 V CA -0.589 61.355 62.300 -0.593 0.000 0.832 692 V CB 1.210 32.808 31.823 -0.374 0.000 0.999 692 V HN 0.940 nan 8.190 nan 0.000 0.439 693 K N 2.624 122.862 120.400 -0.269 0.000 2.242 693 K HA 0.115 4.436 4.320 0.000 0.000 0.200 693 K C 0.018 176.602 176.600 -0.028 0.000 1.050 693 K CA 0.595 56.860 56.287 -0.037 0.000 0.981 693 K CB 0.455 33.060 32.500 0.176 0.000 0.795 693 K HN 0.696 nan 8.250 nan 0.000 0.477 694 D N -0.496 119.884 120.400 -0.033 0.000 2.736 694 D HA 0.222 4.862 4.640 0.000 0.000 0.243 694 D C -2.295 173.977 176.300 -0.047 0.000 1.304 694 D CA -2.188 51.818 54.000 0.010 0.000 0.934 694 D CB 2.082 42.930 40.800 0.079 0.000 1.382 694 D HN -0.190 nan 8.370 nan 0.000 0.571 695 P HA -0.098 nan 4.420 nan 0.000 0.217 695 P C 0.910 178.076 177.300 -0.224 0.000 1.150 695 P CA 0.995 63.946 63.100 -0.249 0.000 0.832 695 P CB 0.076 31.522 31.700 -0.424 0.000 0.787 696 Y N -0.224 120.034 120.300 -0.070 0.000 2.315 696 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 696 Y C 2.568 178.444 175.900 -0.041 0.000 1.154 696 Y CA 1.117 59.184 58.100 -0.055 0.000 1.229 696 Y CB -0.677 37.756 38.460 -0.045 0.000 0.980 696 Y HN 0.010 nan 8.280 nan 0.000 0.540 697 E N 0.139 120.399 120.200 0.100 0.000 2.047 697 E HA -0.129 4.221 4.350 0.000 0.000 0.191 697 E C 2.114 178.722 176.600 0.013 0.000 0.987 697 E CA 1.416 57.847 56.400 0.051 0.000 0.799 697 E CB -0.270 29.453 29.700 0.040 0.000 0.752 697 E HN 0.186 nan 8.360 nan 0.000 0.449 698 V N 0.056 119.958 119.914 -0.020 0.000 2.488 698 V HA -0.030 4.090 4.120 0.000 0.000 0.246 698 V C 1.042 177.112 176.094 -0.040 0.000 1.046 698 V CA 1.110 63.389 62.300 -0.036 0.000 1.053 698 V CB -0.121 31.664 31.823 -0.064 0.000 0.679 698 V HN 0.266 nan 8.190 nan 0.000 0.458 699 V N -2.529 117.352 119.914 -0.055 0.000 3.074 699 V HA 0.705 4.825 4.120 0.000 0.000 0.314 699 V C -0.917 175.160 176.094 -0.029 0.000 1.117 699 V CA -1.100 61.169 62.300 -0.053 0.000 1.014 699 V CB 2.204 33.975 31.823 -0.086 0.000 1.057 699 V HN 0.208 nan 8.190 nan 0.000 0.438 700 K N 1.161 121.550 120.400 -0.017 0.000 2.498 700 K HA 0.789 5.109 4.320 0.000 0.000 0.254 700 K C -0.468 176.130 176.600 -0.003 0.000 0.933 700 K CA -0.430 55.860 56.287 0.005 0.000 0.806 700 K CB 2.418 34.928 32.500 0.016 0.000 1.301 700 K HN 1.216 nan 8.250 nan 0.000 0.432 701 A N 0.818 123.643 122.820 0.008 0.000 2.531 701 A HA 0.418 4.738 4.320 0.000 0.000 0.236 701 A C 1.203 178.788 177.584 0.002 0.000 1.062 701 A CA 1.469 53.509 52.037 0.005 0.000 0.760 701 A CB -0.603 18.406 19.000 0.015 0.000 0.995 701 A HN 1.004 nan 8.150 nan 0.000 0.501 702 G N 1.704 110.503 108.800 -0.003 0.000 2.254 702 G HA2 -0.184 3.776 3.960 0.000 0.000 0.225 702 G HA3 -0.184 3.776 3.960 0.000 0.000 0.225 702 G C -0.080 174.815 174.900 -0.008 0.000 1.003 702 G CA 0.246 45.343 45.100 -0.005 0.000 0.622 702 G HN 0.830 nan 8.290 nan 0.000 0.507 703 D N 0.967 121.361 120.400 -0.010 0.000 2.425 703 D HA 0.390 5.030 4.640 0.000 0.000 0.247 703 D C 1.056 177.347 176.300 -0.016 0.000 1.147 703 D CA 0.052 54.044 54.000 -0.013 0.000 0.879 703 D CB 0.654 41.444 40.800 -0.016 0.000 1.179 703 D HN 0.369 nan 8.370 nan 0.000 0.456 704 I N 3.230 123.792 120.570 -0.015 0.000 2.227 704 I HA 0.015 4.186 4.170 0.000 0.000 0.297 704 I C 0.375 176.481 176.117 -0.017 0.000 1.173 704 I CA -0.673 60.618 61.300 -0.015 0.000 1.356 704 I CB -0.307 37.685 38.000 -0.012 0.000 1.485 704 I HN 0.072 nan 8.210 nan 0.000 0.604 705 V N 2.695 122.596 119.914 -0.022 0.000 2.715 705 V HA 0.186 4.306 4.120 0.000 0.000 0.299 705 V C 0.465 176.545 176.094 -0.023 0.000 1.054 705 V CA -0.756 61.529 62.300 -0.025 0.000 1.077 705 V CB 0.995 32.798 31.823 -0.034 0.000 0.972 705 V HN 0.672 nan 8.190 nan 0.000 0.484 706 K N 3.914 124.301 120.400 -0.022 0.000 2.206 706 K HA 0.498 4.818 4.320 0.000 0.000 0.268 706 K C -0.392 176.192 176.600 -0.027 0.000 1.111 706 K CA -0.523 55.751 56.287 -0.021 0.000 0.955 706 K CB 0.636 33.127 32.500 -0.015 0.000 1.406 706 K HN 0.899 nan 8.250 nan 0.000 0.427 707 V N 0.618 120.513 119.914 -0.031 0.000 2.973 707 V HA 0.557 4.677 4.120 0.000 0.000 0.314 707 V C -0.760 175.309 176.094 -0.041 0.000 1.066 707 V CA -0.860 61.419 62.300 -0.036 0.000 1.021 707 V CB 1.332 33.133 31.823 -0.037 0.000 1.076 707 V HN 0.570 nan 8.190 nan 0.000 0.462 708 K N 1.912 122.287 120.400 -0.043 0.000 2.507 708 K HA 0.633 4.954 4.320 0.000 0.000 0.252 708 K C -1.229 175.343 176.600 -0.047 0.000 0.943 708 K CA -0.752 55.503 56.287 -0.053 0.000 0.808 708 K CB 2.208 34.675 32.500 -0.055 0.000 1.142 708 K HN 0.547 nan 8.250 nan 0.000 0.426 709 V N 4.286 124.168 119.914 -0.053 0.000 2.763 709 V HA 0.007 4.127 4.120 0.000 0.000 0.306 709 V C 0.967 177.038 176.094 -0.038 0.000 1.059 709 V CA 0.607 62.883 62.300 -0.041 0.000 1.138 709 V CB 0.591 32.388 31.823 -0.044 0.000 0.940 709 V HN 0.878 nan 8.190 nan 0.000 0.489 710 M N 2.055 121.641 119.600 -0.023 0.000 3.160 710 M HA 0.283 4.763 4.480 0.000 0.000 0.222 710 M C 0.152 176.443 176.300 -0.014 0.000 1.703 710 M CA 0.520 55.808 55.300 -0.020 0.000 1.354 710 M CB 0.626 33.219 32.600 -0.012 0.000 1.115 710 M HN 0.606 nan 8.290 nan 0.000 0.594 711 E N 1.489 121.687 120.200 -0.004 0.000 2.683 711 E HA 0.281 4.631 4.350 0.000 0.000 0.224 711 E C -1.045 175.558 176.600 0.006 0.000 1.046 711 E CA -0.288 56.112 56.400 0.000 0.000 0.811 711 E CB 2.118 31.821 29.700 0.005 0.000 1.296 711 E HN 0.042 nan 8.360 nan 0.000 0.421 712 V N 2.004 121.918 119.914 0.000 0.000 2.924 712 V HA 0.141 4.261 4.120 0.000 0.000 0.305 712 V C -0.371 175.727 176.094 0.007 0.000 1.073 712 V CA 0.419 62.722 62.300 0.004 0.000 1.098 712 V CB 1.433 33.255 31.823 -0.002 0.000 1.000 712 V HN 0.632 nan 8.190 nan 0.000 0.484 713 D N 3.899 124.306 120.400 0.012 0.000 2.613 713 D HA 0.228 4.868 4.640 0.000 0.000 0.230 713 D C 0.308 176.616 176.300 0.013 0.000 1.365 713 D CA -0.397 53.610 54.000 0.012 0.000 0.976 713 D CB 1.541 42.351 40.800 0.016 0.000 1.415 713 D HN 0.292 nan 8.370 nan 0.000 0.589 714 I N 4.651 125.227 120.570 0.010 0.000 2.193 714 I HA 0.002 4.173 4.170 0.000 0.000 0.240 714 I C -0.854 175.269 176.117 0.010 0.000 1.084 714 I CA 0.610 61.916 61.300 0.010 0.000 1.365 714 I CB -1.096 36.908 38.000 0.008 0.000 1.064 714 I HN 0.393 nan 8.210 nan 0.000 0.410 715 P HA -0.191 nan 4.420 nan 0.000 0.214 715 P C 1.629 178.935 177.300 0.009 0.000 1.163 715 P CA 1.423 64.528 63.100 0.008 0.000 0.889 715 P CB -0.003 31.701 31.700 0.007 0.000 0.790 716 R N -1.093 119.414 120.500 0.012 0.000 2.299 716 R HA 0.056 4.396 4.340 0.000 0.000 0.197 716 R C 0.309 176.620 176.300 0.018 0.000 0.971 716 R CA 0.348 56.457 56.100 0.015 0.000 1.030 716 R CB -1.105 29.205 30.300 0.017 0.000 0.932 716 R HN -0.030 nan 8.270 nan 0.000 0.477 717 N N 0.573 119.284 118.700 0.018 0.000 2.780 717 N HA -0.195 4.545 4.740 0.000 0.000 0.247 717 N C -1.494 174.034 175.510 0.029 0.000 1.076 717 N CA 0.781 53.844 53.050 0.022 0.000 0.688 717 N CB -0.671 37.828 38.487 0.019 0.000 0.957 717 N HN 0.426 nan 8.380 nan 0.000 0.551 718 R N -0.844 119.674 120.500 0.030 0.000 2.837 718 R HA 0.753 5.094 4.340 0.000 0.000 0.271 718 R C -0.827 175.493 176.300 0.032 0.000 0.993 718 R CA -0.862 55.261 56.100 0.038 0.000 0.931 718 R CB 2.416 32.743 30.300 0.044 0.000 1.206 718 R HN 0.000 nan 8.270 nan 0.000 0.474 719 V N 0.642 120.577 119.914 0.035 0.000 2.577 719 V HA 0.651 4.771 4.120 0.000 0.000 0.303 719 V C -0.545 175.563 176.094 0.024 0.000 1.042 719 V CA -0.359 61.955 62.300 0.024 0.000 0.872 719 V CB 1.774 33.606 31.823 0.016 0.000 0.998 719 V HN 0.863 nan 8.190 nan 0.000 0.423 720 G N 7.178 115.991 108.800 0.022 0.000 2.356 720 G HA2 0.546 4.506 3.960 0.000 0.000 0.300 720 G HA3 0.546 4.506 3.960 0.000 0.000 0.300 720 G C -0.644 174.262 174.900 0.011 0.000 1.107 720 G CA -0.441 44.676 45.100 0.028 0.000 0.960 720 G HN 0.778 nan 8.290 nan 0.000 0.418 721 L N 2.278 123.500 121.223 -0.002 0.000 2.325 721 L HA 0.388 4.728 4.340 0.000 0.000 0.279 721 L C 1.311 178.175 176.870 -0.010 0.000 1.054 721 L CA -0.619 54.210 54.840 -0.018 0.000 0.804 721 L CB 2.028 44.065 42.059 -0.037 0.000 1.200 721 L HN 0.688 nan 8.230 nan 0.000 0.436 722 S N 1.775 117.465 115.700 -0.017 0.000 2.665 722 S HA 0.068 4.538 4.470 0.000 0.000 0.240 722 S C 0.893 175.478 174.600 -0.025 0.000 1.081 722 S CA -0.178 58.015 58.200 -0.012 0.000 0.887 722 S CB 0.183 63.375 63.200 -0.013 0.000 0.805 722 S HN 0.725 nan 8.310 nan 0.000 0.486 723 M N 1.462 121.043 119.600 -0.032 0.000 2.212 723 M HA -0.191 4.289 4.480 0.000 0.000 0.193 723 M C -0.307 175.975 176.300 -0.030 0.000 0.493 723 M CA 0.640 55.919 55.300 -0.035 0.000 0.427 723 M CB -0.881 31.692 32.600 -0.045 0.000 1.120 723 M HN 0.664 nan 8.290 nan 0.000 0.929 724 R N 0.221 120.707 120.500 -0.024 0.000 2.734 724 R HA 0.369 4.709 4.340 0.000 0.000 0.271 724 R C 0.304 176.595 176.300 -0.014 0.000 1.021 724 R CA -0.422 55.667 56.100 -0.019 0.000 0.893 724 R CB 0.886 31.175 30.300 -0.018 0.000 1.244 724 R HN 0.397 nan 8.270 nan 0.000 0.464 725 M N 1.193 120.788 119.600 -0.008 0.000 2.159 725 M HA -0.051 4.429 4.480 0.000 0.000 0.263 725 M C 1.318 177.617 176.300 -0.002 0.000 1.063 725 M CA 2.113 57.412 55.300 -0.003 0.000 1.110 725 M CB -0.218 32.383 32.600 0.002 0.000 1.374 725 M HN 0.652 nan 8.290 nan 0.000 0.411 726 S N 0.788 116.486 115.700 -0.003 0.000 2.380 726 S HA -0.230 4.240 4.470 0.000 0.000 0.229 726 S C 0.536 175.134 174.600 -0.005 0.000 1.050 726 S CA 1.620 59.819 58.200 -0.003 0.000 1.100 726 S CB -0.747 62.449 63.200 -0.006 0.000 0.984 726 S HN 0.667 nan 8.310 nan 0.000 0.434 727 D N 1.009 121.403 120.400 -0.011 0.000 2.699 727 D HA -0.107 4.533 4.640 0.000 0.000 0.239 727 D C -0.242 176.050 176.300 -0.013 0.000 1.136 727 D CA 1.277 55.268 54.000 -0.015 0.000 0.668 727 D CB -1.909 38.882 40.800 -0.014 0.000 1.060 727 D HN 0.638 nan 8.370 nan 0.000 0.429 728 T N -1.666 112.880 114.554 -0.013 0.000 3.250 728 T HA 0.536 4.886 4.350 0.000 0.000 0.391 728 T C -1.971 172.720 174.700 -0.015 0.000 1.502 728 T CA -1.498 60.595 62.100 -0.011 0.000 1.320 728 T CB 1.951 70.814 68.868 -0.008 0.000 1.102 728 T HN -0.203 nan 8.240 nan 0.000 0.610 729 P HA 0.324 nan 4.420 nan 0.000 0.272 729 P C 1.169 178.460 177.300 -0.015 0.000 1.248 729 P CA -0.166 62.923 63.100 -0.017 0.000 0.799 729 P CB 0.086 31.775 31.700 -0.019 0.000 0.997 730 G N 0.000 108.791 108.800 -0.015 0.000 5.446 730 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 730 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 730 G CA 0.000 45.092 45.100 -0.014 0.000 0.502 730 G HN 0.000 nan 8.290 nan 0.000 0.925