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 1s4b_1_P DATA FIRST_RESID 24 DATA SEQUENCE LRWDLSAQQI EERTRELIEQ TKRVYDQVGT QEFEDVSYES TLKALADVEV DATA SEQUENCE TYTVQRNILD FPQHVSPSKD IRTASTEADK KLSEFDVEMS MREDVYQRIV DATA SEQUENCE WLQEKVQKDS LRPEAARYLE RLIKLGRRNG LHLPRETQEN IKRIKKKLSL DATA SEQUENCE LCIDFNKNLN EDTTFLPFTL QELGGLPEDF LNSLEKMEDG KLKVTLKYPH DATA SEQUENCE YFPLLKKCHV PETRRKVEEA FNSRCKEENS AILKELVTLR AQKSRLLGFH DATA SEQUENCE THADYVLEMN MAKTSQTVAT FLDELAQKLK PLGEQERAVI LELKRAECER DATA SEQUENCE RGLPFDGRIR AWDMRYYMNQ VEETRYCVDQ NLLKEYFPVQ VVTHGLLGIY DATA SEQUENCE QELLGLAFHH EEGASAWHED VRLYTARDAA SGEVVGKFYL DLYPREGKYG DATA SEQUENCE HAACFGLQPG CLRQDGSRQI AIAAMVANFT KPTADAPSLL QHDEVETYFH DATA SEQUENCE EFGHVMHQLC SQAEFAMFSG THVERDFVEA PSQMLENWVW EQEPLLRMSR DATA SEQUENCE HYRTGSAVPR ELLEKLIESR QANTGLFNLR QIVLAKVDQA LHTQTDADPA DATA SEQUENCE EEYARLCQEI LGVPATPGTN MPATFGHLAG GYDAQYYGYL WSEVYSMDMF DATA SEQUENCE HTRFKQEGVL NSKVGMDYRS CILRPGGSED ASAMLRRFLG RDPKQDAFLL DATA SEQUENCE SKGL 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 24 L HA 0.000 nan 4.340 nan 0.000 0.249 24 L C 0.000 176.503 176.870 -0.611 0.000 1.165 24 L CA 0.000 54.572 54.840 -0.447 0.000 0.813 24 L CB 0.000 41.839 42.059 -0.367 0.000 0.961 25 R N 1.291 121.273 120.500 -0.863 0.000 2.561 25 R HA 0.439 4.780 4.340 0.001 0.000 0.297 25 R C -0.896 174.987 176.300 -0.695 0.000 0.969 25 R CA -0.371 55.373 56.100 -0.593 0.000 0.879 25 R CB 1.759 31.884 30.300 -0.291 0.000 1.178 25 R HN 0.644 nan 8.270 nan 0.000 0.445 26 W N 0.624 121.986 121.300 0.103 0.000 2.702 26 W HA 0.115 4.776 4.660 0.001 0.000 0.369 26 W C 0.190 176.769 176.519 0.100 0.000 0.987 26 W CA -0.367 57.060 57.345 0.137 0.000 1.702 26 W CB 0.862 30.468 29.460 0.244 0.000 1.138 26 W HN 0.663 nan 8.180 nan 0.000 0.552 27 D N 0.226 120.758 120.400 0.220 0.000 2.463 27 D HA 0.121 4.762 4.640 0.001 0.000 0.224 27 D C 0.112 176.466 176.300 0.089 0.000 1.174 27 D CA 0.027 54.115 54.000 0.146 0.000 0.829 27 D CB -0.329 40.531 40.800 0.101 0.000 0.993 27 D HN 0.012 nan 8.370 nan 0.000 0.497 28 L N 1.571 122.846 121.223 0.087 0.000 2.367 28 L HA 0.246 4.586 4.340 0.001 0.000 0.275 28 L C 1.039 177.936 176.870 0.044 0.000 1.129 28 L CA -0.571 54.296 54.840 0.044 0.000 0.839 28 L CB 1.028 43.101 42.059 0.024 0.000 1.133 28 L HN 0.192 nan 8.230 nan 0.000 0.453 29 S N 2.199 117.914 115.700 0.024 0.000 2.661 29 S HA 0.351 4.822 4.470 0.001 0.000 0.265 29 S C 1.110 175.714 174.600 0.006 0.000 1.225 29 S CA -0.164 58.046 58.200 0.017 0.000 0.986 29 S CB 1.449 64.656 63.200 0.010 0.000 1.008 29 S HN 0.670 nan 8.310 nan 0.000 0.565 30 A N -0.111 122.709 122.820 -0.000 0.000 1.972 30 A HA -0.103 4.217 4.320 0.001 0.000 0.219 30 A C 2.280 179.857 177.584 -0.012 0.000 1.169 30 A CA 1.665 53.696 52.037 -0.010 0.000 0.635 30 A CB -1.089 17.904 19.000 -0.013 0.000 0.810 30 A HN 0.927 nan 8.150 nan 0.000 0.446 31 Q N -0.692 119.102 119.800 -0.009 0.000 2.123 31 Q HA -0.185 4.155 4.340 0.001 0.000 0.199 31 Q C 2.123 178.115 176.000 -0.013 0.000 0.966 31 Q CA 1.458 57.255 55.803 -0.011 0.000 0.845 31 Q CB -0.117 28.616 28.738 -0.008 0.000 0.907 31 Q HN 0.794 nan 8.270 nan 0.000 0.439 32 Q N 0.029 119.822 119.800 -0.011 0.000 2.167 32 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 32 Q C 2.050 178.039 176.000 -0.020 0.000 0.970 32 Q CA 1.155 56.950 55.803 -0.014 0.000 0.855 32 Q CB 0.048 28.780 28.738 -0.011 0.000 0.911 32 Q HN 0.458 nan 8.270 nan 0.000 0.438 33 I N 0.762 121.322 120.570 -0.017 0.000 2.226 33 I HA -0.276 3.894 4.170 0.001 0.000 0.245 33 I C 2.518 178.618 176.117 -0.028 0.000 1.100 33 I CA 1.203 62.489 61.300 -0.023 0.000 1.374 33 I CB -0.284 37.704 38.000 -0.021 0.000 1.057 33 I HN 0.323 nan 8.210 nan 0.000 0.413 34 E N 1.302 121.487 120.200 -0.025 0.000 2.051 34 E HA -0.256 4.095 4.350 0.001 0.000 0.192 34 E C 1.990 178.573 176.600 -0.029 0.000 0.991 34 E CA 1.509 57.894 56.400 -0.026 0.000 0.799 34 E CB 0.049 29.736 29.700 -0.022 0.000 0.748 34 E HN 0.512 nan 8.360 nan 0.000 0.449 35 E N -0.005 120.179 120.200 -0.027 0.000 2.047 35 E HA -0.158 4.193 4.350 0.001 0.000 0.191 35 E C 2.336 178.915 176.600 -0.034 0.000 0.987 35 E CA 0.572 56.955 56.400 -0.028 0.000 0.799 35 E CB -0.040 29.646 29.700 -0.023 0.000 0.752 35 E HN 0.106 nan 8.360 nan 0.000 0.449 36 R N 0.416 120.895 120.500 -0.036 0.000 2.105 36 R HA -0.094 4.246 4.340 0.001 0.000 0.239 36 R C 2.341 178.611 176.300 -0.050 0.000 1.135 36 R CA 1.360 57.434 56.100 -0.042 0.000 0.967 36 R CB -0.969 29.303 30.300 -0.046 0.000 0.861 36 R HN 0.236 nan 8.270 nan 0.000 0.442 37 T N 0.777 115.301 114.554 -0.050 0.000 2.708 37 T HA -0.088 4.262 4.350 0.001 0.000 0.266 37 T C 1.944 176.598 174.700 -0.076 0.000 1.037 37 T CA 1.123 63.188 62.100 -0.057 0.000 1.146 37 T CB -0.087 68.754 68.868 -0.045 0.000 0.865 37 T HN 0.306 nan 8.240 nan 0.000 0.435 38 R N 0.868 121.328 120.500 -0.067 0.000 2.081 38 R HA -0.078 4.262 4.340 0.001 0.000 0.235 38 R C 2.559 178.808 176.300 -0.085 0.000 1.131 38 R CA 1.429 57.482 56.100 -0.078 0.000 0.960 38 R CB -0.215 30.052 30.300 -0.054 0.000 0.856 38 R HN 0.568 nan 8.270 nan 0.000 0.436 39 E N 0.601 120.764 120.200 -0.062 0.000 2.051 39 E HA -0.213 4.137 4.350 0.001 0.000 0.192 39 E C 1.985 178.553 176.600 -0.053 0.000 0.991 39 E CA 1.011 57.382 56.400 -0.050 0.000 0.799 39 E CB -0.174 29.505 29.700 -0.035 0.000 0.748 39 E HN 0.085 nan 8.360 nan 0.000 0.449 40 L N 1.401 122.592 121.223 -0.052 0.000 2.012 40 L HA -0.195 4.146 4.340 0.001 0.000 0.210 40 L C 2.089 178.916 176.870 -0.071 0.000 1.073 40 L CA 1.624 56.453 54.840 -0.018 0.000 0.748 40 L CB -0.344 41.708 42.059 -0.012 0.000 0.891 40 L HN 0.139 nan 8.230 nan 0.000 0.431 41 I N -0.627 119.803 120.570 -0.233 0.000 2.179 41 I HA -0.301 3.869 4.170 0.001 0.000 0.242 41 I C 2.404 178.277 176.117 -0.406 0.000 1.088 41 I CA 1.600 62.526 61.300 -0.624 0.000 1.357 41 I CB -0.420 37.186 38.000 -0.657 0.000 1.051 41 I HN 0.379 nan 8.210 nan 0.000 0.409 42 E N 0.485 120.569 120.200 -0.194 0.000 2.077 42 E HA -0.260 4.090 4.350 0.001 0.000 0.193 42 E C 2.233 178.819 176.600 -0.024 0.000 0.989 42 E CA 1.122 57.470 56.400 -0.087 0.000 0.800 42 E CB -0.136 29.531 29.700 -0.055 0.000 0.746 42 E HN 0.564 nan 8.360 nan 0.000 0.452 43 Q N 0.064 119.856 119.800 -0.012 0.000 2.079 43 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 43 Q C 2.232 178.284 176.000 0.086 0.000 0.974 43 Q CA 1.683 57.507 55.803 0.034 0.000 0.840 43 Q CB -0.044 28.715 28.738 0.034 0.000 0.898 43 Q HN 0.225 nan 8.270 nan 0.000 0.430 44 T N 1.075 115.697 114.554 0.113 0.000 2.812 44 T HA -0.137 4.214 4.350 0.001 0.000 0.264 44 T C 1.696 176.616 174.700 0.367 0.000 1.042 44 T CA 1.189 63.437 62.100 0.246 0.000 1.140 44 T CB -0.120 68.928 68.868 0.300 0.000 0.870 44 T HN 0.225 nan 8.240 nan 0.000 0.445 45 K N 1.198 121.783 120.400 0.307 0.000 2.103 45 K HA -0.138 4.182 4.320 0.001 0.000 0.207 45 K C 2.486 179.232 176.600 0.243 0.000 1.048 45 K CA 1.128 57.618 56.287 0.339 0.000 0.930 45 K CB -0.094 32.538 32.500 0.221 0.000 0.716 45 K HN 0.171 nan 8.250 nan 0.000 0.444 46 R N 0.375 120.969 120.500 0.157 0.000 2.091 46 R HA -0.139 4.202 4.340 0.001 0.000 0.238 46 R C 1.995 178.357 176.300 0.104 0.000 1.136 46 R CA 1.758 57.921 56.100 0.106 0.000 0.959 46 R CB -0.234 30.106 30.300 0.067 0.000 0.856 46 R HN 0.085 nan 8.270 nan 0.000 0.437 47 V N 0.207 120.189 119.914 0.113 0.000 2.295 47 V HA -0.248 3.873 4.120 0.001 0.000 0.246 47 V C 1.943 178.032 176.094 -0.010 0.000 1.049 47 V CA 1.768 64.084 62.300 0.028 0.000 1.024 47 V CB -0.688 31.123 31.823 -0.020 0.000 0.648 47 V HN 0.341 nan 8.190 nan 0.000 0.447 48 Y N 0.695 121.011 120.300 0.026 0.000 2.181 48 Y HA -0.215 4.336 4.550 0.001 0.000 0.288 48 Y C 2.537 178.445 175.900 0.013 0.000 1.146 48 Y CA 1.785 59.888 58.100 0.006 0.000 1.164 48 Y CB -0.461 37.991 38.460 -0.012 0.000 0.982 48 Y HN 0.307 nan 8.280 nan 0.000 0.515 49 D N -0.229 120.278 120.400 0.177 0.000 2.123 49 D HA -0.186 4.455 4.640 0.001 0.000 0.196 49 D C 2.011 178.352 176.300 0.069 0.000 0.992 49 D CA 1.447 55.512 54.000 0.108 0.000 0.833 49 D CB -0.404 40.451 40.800 0.091 0.000 0.954 49 D HN 0.497 nan 8.370 nan 0.000 0.455 50 Q N 0.237 120.067 119.800 0.051 0.000 2.084 50 Q HA -0.090 4.251 4.340 0.001 0.000 0.202 50 Q C 2.437 178.447 176.000 0.017 0.000 0.978 50 Q CA 0.935 56.754 55.803 0.028 0.000 0.844 50 Q CB -0.047 28.698 28.738 0.012 0.000 0.898 50 Q HN 0.171 nan 8.270 nan 0.000 0.426 51 V N 0.601 120.509 119.914 -0.009 0.000 2.427 51 V HA -0.145 3.975 4.120 0.001 0.000 0.248 51 V C 2.207 178.311 176.094 0.017 0.000 1.051 51 V CA 1.874 64.159 62.300 -0.024 0.000 1.048 51 V CB -0.987 30.774 31.823 -0.104 0.000 0.666 51 V HN 0.525 nan 8.190 nan 0.000 0.456 52 G N 0.046 108.868 108.800 0.037 0.000 2.509 52 G HA2 -0.164 3.797 3.960 0.001 0.000 0.218 52 G HA3 -0.164 3.797 3.960 0.001 0.000 0.218 52 G C 1.363 176.298 174.900 0.058 0.000 1.124 52 G CA 1.377 46.505 45.100 0.048 0.000 0.776 52 G HN 0.607 nan 8.290 nan 0.000 0.547 53 T N -2.101 112.493 114.554 0.067 0.000 3.129 53 T HA 0.337 4.687 4.350 0.001 0.000 0.267 53 T C 0.596 175.357 174.700 0.100 0.000 1.018 53 T CA -0.410 61.738 62.100 0.080 0.000 0.903 53 T CB 0.171 69.077 68.868 0.063 0.000 1.067 53 T HN 0.281 nan 8.240 nan 0.000 0.549 54 Q N 1.630 121.497 119.800 0.112 0.000 2.364 54 Q HA 0.246 4.587 4.340 0.001 0.000 0.267 54 Q C -0.139 175.976 176.000 0.192 0.000 0.999 54 Q CA 0.125 55.998 55.803 0.117 0.000 0.886 54 Q CB 0.918 29.715 28.738 0.098 0.000 1.243 54 Q HN 0.548 nan 8.270 nan 0.000 0.415 55 E N 1.024 121.296 120.200 0.121 0.000 2.349 55 E HA -0.007 4.344 4.350 0.001 0.000 0.265 55 E C 0.227 176.836 176.600 0.016 0.000 1.064 55 E CA -0.293 56.174 56.400 0.112 0.000 0.886 55 E CB 0.531 30.264 29.700 0.053 0.000 1.036 55 E HN 0.536 nan 8.360 nan 0.000 0.413 56 F N 2.477 122.212 119.950 -0.360 0.000 2.063 56 F HA -0.317 4.210 4.527 0.001 0.000 0.298 56 F C 2.199 177.795 175.800 -0.340 0.000 1.105 56 F CA 2.391 59.949 58.000 -0.737 0.000 1.215 56 F CB 0.003 38.319 39.000 -1.140 0.000 0.972 56 F HN 0.643 nan 8.300 nan 0.000 0.483 57 E N -0.319 119.765 120.200 -0.193 0.000 2.160 57 E HA -0.252 4.098 4.350 0.001 0.000 0.195 57 E C 1.388 177.861 176.600 -0.211 0.000 0.991 57 E CA 1.649 57.938 56.400 -0.185 0.000 0.810 57 E CB -0.253 29.434 29.700 -0.023 0.000 0.742 57 E HN 0.505 nan 8.360 nan 0.000 0.466 58 D N 0.040 120.350 120.400 -0.150 0.000 2.340 58 D HA 0.004 4.645 4.640 0.001 0.000 0.220 58 D C -0.127 176.109 176.300 -0.108 0.000 1.039 58 D CA 0.112 54.054 54.000 -0.097 0.000 0.866 58 D CB 0.503 41.280 40.800 -0.038 0.000 0.913 58 D HN 0.014 nan 8.370 nan 0.000 0.523 59 V N 1.755 121.557 119.914 -0.186 0.000 2.521 59 V HA 0.160 4.281 4.120 0.001 0.000 0.286 59 V C 0.646 176.661 176.094 -0.131 0.000 1.034 59 V CA 0.155 62.373 62.300 -0.137 0.000 1.045 59 V CB 0.904 32.630 31.823 -0.161 0.000 0.974 59 V HN 0.181 nan 8.190 nan 0.000 0.480 60 S N 3.879 119.549 115.700 -0.051 0.000 2.638 60 S HA 0.425 4.896 4.470 0.001 0.000 0.274 60 S C 0.170 174.805 174.600 0.059 0.000 1.157 60 S CA -0.587 57.614 58.200 0.001 0.000 0.826 60 S CB 1.097 64.303 63.200 0.011 0.000 1.139 60 S HN 0.559 nan 8.310 nan 0.000 0.474 61 Y N 1.526 121.820 120.300 -0.009 0.000 2.128 61 Y HA -0.104 4.447 4.550 0.001 0.000 0.284 61 Y C 1.984 177.901 175.900 0.029 0.000 1.154 61 Y CA 2.557 60.670 58.100 0.022 0.000 1.149 61 Y CB -0.456 38.024 38.460 0.032 0.000 0.976 61 Y HN 0.843 nan 8.280 nan 0.000 0.505 62 E N -0.207 120.122 120.200 0.215 0.000 2.072 62 E HA -0.151 4.199 4.350 0.001 0.000 0.191 62 E C 2.393 178.988 176.600 -0.009 0.000 0.985 62 E CA 1.633 58.094 56.400 0.101 0.000 0.801 62 E CB -0.387 29.393 29.700 0.133 0.000 0.750 62 E HN 0.519 nan 8.360 nan 0.000 0.452 63 S N -1.147 114.550 115.700 -0.006 0.000 2.527 63 S HA 0.039 4.509 4.470 0.001 0.000 0.222 63 S C 1.549 176.118 174.600 -0.052 0.000 0.985 63 S CA 1.012 59.196 58.200 -0.027 0.000 0.921 63 S CB 0.121 63.311 63.200 -0.017 0.000 0.772 63 S HN 0.134 nan 8.310 nan 0.000 0.529 64 T N 1.373 115.884 114.554 -0.070 0.000 3.311 64 T HA 0.338 4.688 4.350 0.001 0.000 0.239 64 T C 1.527 176.158 174.700 -0.115 0.000 0.976 64 T CA 0.288 62.337 62.100 -0.084 0.000 1.283 64 T CB -0.620 68.214 68.868 -0.056 0.000 1.113 64 T HN 0.224 nan 8.240 nan 0.000 0.392 65 L N 1.276 122.399 121.223 -0.167 0.000 2.005 65 L HA 0.051 4.391 4.340 0.001 0.000 0.207 65 L C 2.590 179.382 176.870 -0.131 0.000 1.072 65 L CA 1.729 56.480 54.840 -0.148 0.000 0.744 65 L CB -0.239 41.627 42.059 -0.322 0.000 0.895 65 L HN 0.143 nan 8.230 nan 0.000 0.433 66 K N -0.328 119.872 120.400 -0.333 0.000 2.097 66 K HA -0.201 4.119 4.320 0.001 0.000 0.206 66 K C 1.969 178.498 176.600 -0.118 0.000 1.049 66 K CA 1.289 57.450 56.287 -0.211 0.000 0.933 66 K CB -0.167 32.233 32.500 -0.167 0.000 0.717 66 K HN 0.501 nan 8.250 nan 0.000 0.442 67 A N 1.262 124.016 122.820 -0.109 0.000 1.883 67 A HA -0.151 4.169 4.320 0.001 0.000 0.217 67 A C 2.094 179.606 177.584 -0.119 0.000 1.186 67 A CA 1.364 53.342 52.037 -0.100 0.000 0.624 67 A CB -0.586 18.353 19.000 -0.102 0.000 0.822 67 A HN 0.306 nan 8.150 nan 0.000 0.444 68 L N -1.050 120.102 121.223 -0.118 0.000 2.072 68 L HA -0.131 4.209 4.340 0.001 0.000 0.205 68 L C 3.098 179.968 176.870 0.001 0.000 1.079 68 L CA 0.917 55.682 54.840 -0.125 0.000 0.752 68 L CB -0.559 41.448 42.059 -0.088 0.000 0.906 68 L HN 0.441 nan 8.230 nan 0.000 0.436 69 A N -0.017 122.819 122.820 0.026 0.000 1.902 69 A HA -0.222 4.099 4.320 0.001 0.000 0.217 69 A C 1.902 179.417 177.584 -0.115 0.000 1.181 69 A CA 1.946 53.919 52.037 -0.107 0.000 0.623 69 A CB -0.472 18.388 19.000 -0.234 0.000 0.818 69 A HN 0.332 nan 8.150 nan 0.000 0.443 70 D N -0.675 119.663 120.400 -0.104 0.000 2.117 70 D HA -0.104 4.537 4.640 0.001 0.000 0.198 70 D C 1.943 178.226 176.300 -0.028 0.000 0.982 70 D CA 1.347 55.297 54.000 -0.082 0.000 0.828 70 D CB -0.564 40.192 40.800 -0.073 0.000 0.967 70 D HN 0.182 nan 8.370 nan 0.000 0.464 71 V N 0.887 120.791 119.914 -0.016 0.000 2.626 71 V HA -0.186 3.935 4.120 0.001 0.000 0.252 71 V C 2.174 178.339 176.094 0.120 0.000 1.067 71 V CA 1.802 64.129 62.300 0.045 0.000 1.081 71 V CB -0.141 31.693 31.823 0.018 0.000 0.686 71 V HN 0.147 nan 8.190 nan 0.000 0.468 72 E N -0.569 119.686 120.200 0.091 0.000 2.110 72 E HA -0.175 4.175 4.350 0.001 0.000 0.193 72 E C 2.097 178.782 176.600 0.142 0.000 0.988 72 E CA 1.696 58.186 56.400 0.149 0.000 0.804 72 E CB 0.031 29.792 29.700 0.101 0.000 0.745 72 E HN 0.543 nan 8.360 nan 0.000 0.458 73 V N 0.988 120.937 119.914 0.059 0.000 2.270 73 V HA -0.285 3.836 4.120 0.001 0.000 0.245 73 V C 2.745 178.872 176.094 0.056 0.000 1.043 73 V CA 2.268 64.587 62.300 0.032 0.000 1.014 73 V CB -1.170 30.639 31.823 -0.024 0.000 0.645 73 V HN 0.565 nan 8.190 nan 0.000 0.447 74 T N -1.681 112.913 114.554 0.066 0.000 2.746 74 T HA -0.303 4.047 4.350 0.001 0.000 0.267 74 T C 1.889 176.650 174.700 0.103 0.000 1.039 74 T CA 2.053 64.192 62.100 0.065 0.000 1.142 74 T CB -0.676 68.230 68.868 0.063 0.000 0.866 74 T HN 0.486 nan 8.240 nan 0.000 0.444 75 Y N 2.392 122.723 120.300 0.051 0.000 2.163 75 Y HA -0.077 4.474 4.550 0.001 0.000 0.288 75 Y C 2.658 178.596 175.900 0.064 0.000 1.136 75 Y CA 1.846 59.992 58.100 0.077 0.000 1.147 75 Y CB -0.820 37.724 38.460 0.140 0.000 0.987 75 Y HN 0.211 nan 8.280 nan 0.000 0.509 76 T N -0.098 114.500 114.554 0.073 0.000 2.684 76 T HA -0.197 4.154 4.350 0.001 0.000 0.267 76 T C 2.052 176.701 174.700 -0.086 0.000 1.036 76 T CA 1.841 63.933 62.100 -0.014 0.000 1.148 76 T CB -0.786 68.138 68.868 0.093 0.000 0.863 76 T HN 0.212 nan 8.240 nan 0.000 0.436 77 V N 1.632 121.514 119.914 -0.054 0.000 2.255 77 V HA -0.194 3.926 4.120 0.001 0.000 0.247 77 V C 2.812 178.837 176.094 -0.115 0.000 1.051 77 V CA 1.570 63.830 62.300 -0.067 0.000 1.018 77 V CB -0.630 31.163 31.823 -0.050 0.000 0.641 77 V HN 0.402 nan 8.190 nan 0.000 0.445 78 Q N -0.234 119.482 119.800 -0.140 0.000 2.084 78 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 78 Q C 2.386 178.262 176.000 -0.206 0.000 0.978 78 Q CA 1.591 57.297 55.803 -0.161 0.000 0.844 78 Q CB -0.548 28.108 28.738 -0.137 0.000 0.898 78 Q HN 0.569 nan 8.270 nan 0.000 0.426 79 R N 0.697 120.989 120.500 -0.347 0.000 2.083 79 R HA -0.137 4.204 4.340 0.001 0.000 0.237 79 R C 1.629 177.850 176.300 -0.133 0.000 1.137 79 R CA 1.405 57.304 56.100 -0.335 0.000 0.951 79 R CB -0.005 29.961 30.300 -0.557 0.000 0.851 79 R HN 0.254 nan 8.270 nan 0.000 0.434 80 N N 0.740 119.386 118.700 -0.091 0.000 2.223 80 N HA -0.141 4.599 4.740 0.001 0.000 0.185 80 N C 1.853 177.404 175.510 0.068 0.000 1.016 80 N CA 1.240 54.292 53.050 0.004 0.000 0.863 80 N CB -0.200 38.281 38.487 -0.009 0.000 0.983 80 N HN 0.342 nan 8.380 nan 0.000 0.429 81 I N 0.667 121.232 120.570 -0.007 0.000 2.315 81 I HA -0.200 3.970 4.170 0.001 0.000 0.248 81 I C 1.856 178.015 176.117 0.070 0.000 1.117 81 I CA 0.835 62.132 61.300 -0.005 0.000 1.404 81 I CB -0.121 37.767 38.000 -0.187 0.000 1.071 81 I HN 0.057 nan 8.210 nan 0.000 0.419 82 L N 0.526 121.750 121.223 0.002 0.000 2.179 82 L HA -0.135 4.206 4.340 0.001 0.000 0.208 82 L C 1.805 178.676 176.870 0.001 0.000 1.096 82 L CA 1.072 55.908 54.840 -0.007 0.000 0.779 82 L CB -0.575 41.456 42.059 -0.046 0.000 0.922 82 L HN 0.363 nan 8.230 nan 0.000 0.443 83 D N -1.620 118.794 120.400 0.024 0.000 2.360 83 D HA -0.148 4.492 4.640 0.001 0.000 0.210 83 D C 1.824 178.135 176.300 0.017 0.000 1.047 83 D CA -0.028 53.977 54.000 0.007 0.000 0.854 83 D CB -0.153 40.671 40.800 0.040 0.000 0.936 83 D HN 0.147 nan 8.370 nan 0.000 0.514 84 F N 1.722 121.611 119.950 -0.101 0.000 2.187 84 F HA 0.213 4.741 4.527 0.001 0.000 0.295 84 F C -1.017 174.556 175.800 -0.378 0.000 1.091 84 F CA -0.262 57.612 58.000 -0.210 0.000 1.308 84 F CB -1.012 37.856 39.000 -0.220 0.000 1.030 84 F HN -0.106 nan 8.300 nan 0.000 0.487 85 P HA -0.256 nan 4.420 nan 0.000 0.218 85 P C 1.253 178.249 177.300 -0.507 0.000 1.146 85 P CA 2.181 64.991 63.100 -0.484 0.000 0.820 85 P CB -0.473 31.121 31.700 -0.176 0.000 0.778 86 Q N -1.106 118.398 119.800 -0.492 0.000 2.226 86 Q HA -0.211 4.129 4.340 0.001 0.000 0.204 86 Q C 1.158 176.831 176.000 -0.546 0.000 0.975 86 Q CA 1.631 57.147 55.803 -0.479 0.000 0.866 86 Q CB -1.034 27.406 28.738 -0.497 0.000 0.915 86 Q HN 0.418 nan 8.270 nan 0.000 0.440 87 H N -0.276 118.482 119.070 -0.520 0.000 2.562 87 H HA 0.096 4.653 4.556 0.001 0.000 0.267 87 H C 1.591 176.564 175.328 -0.592 0.000 0.959 87 H CA 0.875 56.610 56.048 -0.522 0.000 1.204 87 H CB 1.055 30.338 29.762 -0.798 0.000 1.430 87 H HN 0.315 nan 8.280 nan 0.000 0.545 88 V N -4.339 115.139 119.914 -0.727 0.000 3.332 88 V HA 0.176 4.296 4.120 0.001 0.000 0.263 88 V C 0.738 176.606 176.094 -0.377 0.000 1.562 88 V CA -0.279 61.648 62.300 -0.622 0.000 1.040 88 V CB 0.535 31.694 31.823 -1.107 0.000 0.857 88 V HN 0.110 nan 8.190 nan 0.000 0.428 89 S N 3.777 119.245 115.700 -0.386 0.000 2.546 89 S HA 0.212 4.683 4.470 0.001 0.000 0.290 89 S C -0.584 173.973 174.600 -0.073 0.000 1.290 89 S CA 0.014 58.118 58.200 -0.160 0.000 1.069 89 S CB 0.994 64.106 63.200 -0.147 0.000 0.846 89 S HN 0.540 nan 8.310 nan 0.000 0.495 90 P HA 0.031 nan 4.420 nan 0.000 0.237 90 P C 0.146 177.452 177.300 0.009 0.000 1.178 90 P CA 0.207 63.322 63.100 0.025 0.000 0.766 90 P CB 0.051 31.826 31.700 0.124 0.000 0.876 91 S N 0.317 116.018 115.700 0.001 0.000 2.452 91 S HA 0.206 4.676 4.470 0.001 0.000 0.284 91 S C 1.212 175.795 174.600 -0.029 0.000 1.171 91 S CA -0.671 57.526 58.200 -0.005 0.000 1.064 91 S CB 0.853 64.056 63.200 0.005 0.000 0.967 91 S HN -0.088 nan 8.310 nan 0.000 0.484 92 K N 3.382 123.766 120.400 -0.026 0.000 2.148 92 K HA -0.100 4.221 4.320 0.001 0.000 0.204 92 K C 0.776 177.354 176.600 -0.036 0.000 1.050 92 K CA 1.563 57.829 56.287 -0.035 0.000 0.942 92 K CB -0.056 32.428 32.500 -0.027 0.000 0.724 92 K HN 0.658 nan 8.250 nan 0.000 0.446 93 D N 0.770 121.154 120.400 -0.026 0.000 2.144 93 D HA -0.137 4.504 4.640 0.001 0.000 0.200 93 D C 1.909 178.190 176.300 -0.031 0.000 0.978 93 D CA 1.072 55.057 54.000 -0.024 0.000 0.833 93 D CB -0.014 40.777 40.800 -0.015 0.000 0.961 93 D HN 0.306 nan 8.370 nan 0.000 0.470 94 I N 0.418 120.968 120.570 -0.032 0.000 2.353 94 I HA -0.184 3.987 4.170 0.001 0.000 0.248 94 I C 2.574 178.647 176.117 -0.073 0.000 1.119 94 I CA 0.658 61.934 61.300 -0.039 0.000 1.417 94 I CB -0.069 37.916 38.000 -0.025 0.000 1.078 94 I HN -0.134 nan 8.210 nan 0.000 0.421 95 R N 0.560 121.007 120.500 -0.089 0.000 2.081 95 R HA -0.165 4.176 4.340 0.001 0.000 0.235 95 R C 2.517 178.751 176.300 -0.110 0.000 1.131 95 R CA 2.282 58.305 56.100 -0.128 0.000 0.960 95 R CB -0.401 29.826 30.300 -0.122 0.000 0.856 95 R HN 0.514 nan 8.270 nan 0.000 0.436 96 T N -1.951 112.558 114.554 -0.075 0.000 2.777 96 T HA -0.046 4.305 4.350 0.001 0.000 0.266 96 T C 2.017 176.683 174.700 -0.057 0.000 1.040 96 T CA 1.056 63.120 62.100 -0.060 0.000 1.141 96 T CB -0.344 68.499 68.868 -0.042 0.000 0.868 96 T HN 0.243 nan 8.240 nan 0.000 0.444 97 A N 1.304 124.093 122.820 -0.052 0.000 1.930 97 A HA 0.022 4.343 4.320 0.001 0.000 0.217 97 A C 2.689 180.241 177.584 -0.054 0.000 1.175 97 A CA 1.952 53.963 52.037 -0.044 0.000 0.627 97 A CB -1.185 17.794 19.000 -0.035 0.000 0.815 97 A HN 0.551 nan 8.150 nan 0.000 0.443 98 S N -0.915 114.740 115.700 -0.076 0.000 2.368 98 S HA -0.137 4.334 4.470 0.001 0.000 0.224 98 S C 2.062 176.602 174.600 -0.100 0.000 1.029 98 S CA 2.179 60.322 58.200 -0.094 0.000 0.988 98 S CB -0.589 62.523 63.200 -0.147 0.000 0.838 98 S HN 0.590 nan 8.310 nan 0.000 0.462 99 T N 2.100 116.588 114.554 -0.109 0.000 2.746 99 T HA -0.038 4.312 4.350 0.001 0.000 0.267 99 T C 1.771 176.441 174.700 -0.049 0.000 1.039 99 T CA 1.336 63.382 62.100 -0.091 0.000 1.142 99 T CB -0.335 68.483 68.868 -0.082 0.000 0.866 99 T HN 0.380 nan 8.240 nan 0.000 0.444 100 E N 1.145 121.320 120.200 -0.042 0.000 2.106 100 E HA 0.019 4.369 4.350 0.001 0.000 0.192 100 E C 2.534 179.124 176.600 -0.018 0.000 0.984 100 E CA 1.034 57.420 56.400 -0.025 0.000 0.806 100 E CB -0.520 29.166 29.700 -0.024 0.000 0.750 100 E HN 0.502 nan 8.360 nan 0.000 0.458 101 A N 1.645 124.450 122.820 -0.025 0.000 1.902 101 A HA -0.216 4.105 4.320 0.001 0.000 0.217 101 A C 2.045 179.629 177.584 -0.001 0.000 1.181 101 A CA 1.881 53.907 52.037 -0.018 0.000 0.623 101 A CB -0.532 18.451 19.000 -0.029 0.000 0.818 101 A HN 0.179 nan 8.150 nan 0.000 0.443 102 D N -0.170 120.226 120.400 -0.008 0.000 2.123 102 D HA -0.168 4.472 4.640 0.001 0.000 0.196 102 D C 1.890 178.210 176.300 0.034 0.000 0.992 102 D CA 1.662 55.671 54.000 0.014 0.000 0.833 102 D CB -0.169 40.629 40.800 -0.004 0.000 0.954 102 D HN 0.503 nan 8.370 nan 0.000 0.455 103 K N 0.008 120.420 120.400 0.020 0.000 2.025 103 K HA -0.096 4.225 4.320 0.001 0.000 0.207 103 K C 2.344 178.971 176.600 0.044 0.000 1.049 103 K CA 0.962 57.266 56.287 0.028 0.000 0.933 103 K CB 0.006 32.514 32.500 0.014 0.000 0.714 103 K HN 0.131 nan 8.250 nan 0.000 0.438 104 K N 0.925 121.349 120.400 0.039 0.000 2.057 104 K HA -0.092 4.229 4.320 0.001 0.000 0.207 104 K C 2.175 178.841 176.600 0.109 0.000 1.049 104 K CA 1.143 57.461 56.287 0.052 0.000 0.931 104 K CB -0.165 32.346 32.500 0.020 0.000 0.714 104 K HN 0.082 nan 8.250 nan 0.000 0.440 105 L N 0.614 121.909 121.223 0.119 0.000 2.093 105 L HA -0.163 4.178 4.340 0.001 0.000 0.208 105 L C 2.399 179.422 176.870 0.254 0.000 1.085 105 L CA 0.959 55.938 54.840 0.231 0.000 0.755 105 L CB -0.339 41.826 42.059 0.176 0.000 0.904 105 L HN 0.091 nan 8.230 nan 0.000 0.435 106 S N -0.431 115.357 115.700 0.146 0.000 2.383 106 S HA -0.168 4.302 4.470 0.001 0.000 0.227 106 S C 1.837 176.481 174.600 0.072 0.000 1.026 106 S CA 1.145 59.406 58.200 0.100 0.000 0.981 106 S CB -0.134 63.103 63.200 0.063 0.000 0.818 106 S HN 0.443 nan 8.310 nan 0.000 0.472 107 E N 0.193 120.442 120.200 0.082 0.000 2.077 107 E HA -0.131 4.219 4.350 0.001 0.000 0.193 107 E C 1.782 178.422 176.600 0.067 0.000 0.989 107 E CA 1.004 57.438 56.400 0.057 0.000 0.800 107 E CB -0.216 29.521 29.700 0.061 0.000 0.746 107 E HN 0.505 nan 8.360 nan 0.000 0.452 108 F N 2.602 122.535 119.950 -0.028 0.000 2.134 108 F HA -0.214 4.314 4.527 0.000 0.000 0.299 108 F C 1.629 177.351 175.800 -0.129 0.000 1.097 108 F CA 1.591 59.549 58.000 -0.069 0.000 1.264 108 F CB -0.184 38.797 39.000 -0.032 0.000 1.001 108 F HN -0.105 nan 8.300 nan 0.000 0.479 109 D N 0.169 120.454 120.400 -0.192 0.000 2.104 109 D HA -0.174 4.467 4.640 0.001 0.000 0.194 109 D C 2.561 178.669 176.300 -0.320 0.000 0.994 109 D CA 1.836 55.646 54.000 -0.317 0.000 0.830 109 D CB -0.686 40.077 40.800 -0.062 0.000 0.959 109 D HN 0.262 nan 8.370 nan 0.000 0.452 110 V N 0.964 120.764 119.914 -0.189 0.000 2.343 110 V HA -0.214 3.906 4.120 0.001 0.000 0.247 110 V C 2.462 178.431 176.094 -0.208 0.000 1.051 110 V CA 1.735 63.940 62.300 -0.159 0.000 1.036 110 V CB -0.478 31.291 31.823 -0.090 0.000 0.654 110 V HN 0.230 nan 8.190 nan 0.000 0.451 111 E N -0.295 119.768 120.200 -0.230 0.000 2.058 111 E HA -0.264 4.087 4.350 0.001 0.000 0.194 111 E C 2.282 178.676 176.600 -0.343 0.000 0.997 111 E CA 1.636 57.898 56.400 -0.230 0.000 0.801 111 E CB -0.069 29.531 29.700 -0.168 0.000 0.746 111 E HN 0.369 nan 8.360 nan 0.000 0.450 112 M N 0.611 119.847 119.600 -0.607 0.000 2.175 112 M HA -0.109 4.372 4.480 0.001 0.000 0.264 112 M C 2.606 178.657 176.300 -0.416 0.000 1.063 112 M CA 1.548 56.413 55.300 -0.726 0.000 1.119 112 M CB -1.100 30.673 32.600 -1.377 0.000 1.377 112 M HN 0.158 nan 8.290 nan 0.000 0.415 113 S N -0.281 115.223 115.700 -0.326 0.000 2.447 113 S HA -0.064 4.406 4.470 0.001 0.000 0.233 113 S C 1.658 176.169 174.600 -0.147 0.000 1.006 113 S CA 0.828 58.915 58.200 -0.187 0.000 0.957 113 S CB -0.211 62.892 63.200 -0.162 0.000 0.773 113 S HN 0.358 nan 8.310 nan 0.000 0.507 114 M N 1.140 120.647 119.600 -0.155 0.000 2.494 114 M HA 0.305 4.785 4.480 0.001 0.000 0.232 114 M C 0.013 176.255 176.300 -0.098 0.000 1.137 114 M CA 0.129 55.355 55.300 -0.124 0.000 1.012 114 M CB -0.596 31.938 32.600 -0.110 0.000 1.567 114 M HN 0.132 nan 8.290 nan 0.000 0.486 115 R N 1.910 122.357 120.500 -0.087 0.000 2.402 115 R HA 0.019 4.359 4.340 0.001 0.000 0.331 115 R C 0.884 177.189 176.300 0.009 0.000 1.040 115 R CA 0.221 56.299 56.100 -0.037 0.000 0.980 115 R CB -0.084 30.209 30.300 -0.011 0.000 0.967 115 R HN 0.437 nan 8.270 nan 0.000 0.440 116 E N 1.435 121.634 120.200 -0.003 0.000 2.152 116 E HA -0.180 4.171 4.350 0.001 0.000 0.192 116 E C 1.094 177.705 176.600 0.019 0.000 0.983 116 E CA 1.285 57.697 56.400 0.021 0.000 0.818 116 E CB 0.239 29.934 29.700 -0.007 0.000 0.758 116 E HN 0.593 nan 8.360 nan 0.000 0.467 117 D N 0.820 121.221 120.400 0.001 0.000 2.117 117 D HA -0.135 4.506 4.640 0.001 0.000 0.198 117 D C 2.022 178.304 176.300 -0.030 0.000 0.982 117 D CA 0.845 54.831 54.000 -0.023 0.000 0.828 117 D CB -0.568 40.235 40.800 0.005 0.000 0.967 117 D HN 0.070 nan 8.370 nan 0.000 0.464 118 V N 0.057 119.987 119.914 0.027 0.000 2.358 118 V HA -0.240 3.881 4.120 0.001 0.000 0.246 118 V C 2.393 178.488 176.094 0.002 0.000 1.047 118 V CA 1.333 63.654 62.300 0.035 0.000 1.035 118 V CB -0.948 30.951 31.823 0.126 0.000 0.658 118 V HN 0.098 nan 8.190 nan 0.000 0.452 119 Y N 1.224 121.471 120.300 -0.089 0.000 2.224 119 Y HA -0.298 4.252 4.550 0.000 0.000 0.289 119 Y C 2.671 178.459 175.900 -0.185 0.000 1.146 119 Y CA 2.154 60.186 58.100 -0.112 0.000 1.182 119 Y CB -0.339 38.068 38.460 -0.089 0.000 0.983 119 Y HN 0.325 nan 8.280 nan 0.000 0.524 120 Q N 0.486 120.127 119.800 -0.265 0.000 2.096 120 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 120 Q C 2.046 177.611 176.000 -0.725 0.000 0.982 120 Q CA 1.959 57.405 55.803 -0.596 0.000 0.850 120 Q CB -0.183 28.146 28.738 -0.682 0.000 0.901 120 Q HN 0.238 nan 8.270 nan 0.000 0.422 121 R N -0.271 119.998 120.500 -0.385 0.000 2.115 121 R HA 0.084 4.425 4.340 0.001 0.000 0.230 121 R C 2.139 178.393 176.300 -0.077 0.000 1.111 121 R CA 1.242 57.295 56.100 -0.077 0.000 0.976 121 R CB -0.422 29.893 30.300 0.025 0.000 0.870 121 R HN 0.400 nan 8.270 nan 0.000 0.445 122 I N -0.502 119.935 120.570 -0.222 0.000 2.286 122 I HA -0.215 3.956 4.170 0.001 0.000 0.245 122 I C 1.762 177.720 176.117 -0.265 0.000 1.104 122 I CA 0.904 62.059 61.300 -0.242 0.000 1.397 122 I CB -0.162 37.649 38.000 -0.316 0.000 1.072 122 I HN -0.066 nan 8.210 nan 0.000 0.417 123 V N -0.010 119.650 119.914 -0.423 0.000 2.343 123 V HA -0.254 3.866 4.120 0.001 0.000 0.247 123 V C 2.222 178.317 176.094 0.003 0.000 1.051 123 V CA 1.637 63.754 62.300 -0.306 0.000 1.036 123 V CB -0.603 30.974 31.823 -0.410 0.000 0.654 123 V HN 0.492 nan 8.190 nan 0.000 0.451 124 W N -0.503 120.767 121.300 -0.051 0.000 2.358 124 W HA -0.099 4.561 4.660 -0.000 0.000 0.303 124 W C 2.284 178.795 176.519 -0.012 0.000 1.208 124 W CA 1.083 58.465 57.345 0.062 0.000 1.274 124 W CB -1.157 28.372 29.460 0.116 0.000 1.138 124 W HN 0.263 nan 8.180 nan 0.000 0.515 125 L N 0.947 122.266 121.223 0.160 0.000 2.046 125 L HA -0.204 4.136 4.340 0.001 0.000 0.208 125 L C 2.529 179.433 176.870 0.056 0.000 1.077 125 L CA 2.251 57.126 54.840 0.058 0.000 0.747 125 L CB -1.283 40.784 42.059 0.013 0.000 0.896 125 L HN 0.065 nan 8.230 nan 0.000 0.432 126 Q N -0.731 119.090 119.800 0.035 0.000 2.170 126 Q HA -0.277 4.064 4.340 0.001 0.000 0.203 126 Q C 2.160 178.196 176.000 0.061 0.000 0.976 126 Q CA 1.978 57.797 55.803 0.026 0.000 0.858 126 Q CB -0.133 28.594 28.738 -0.019 0.000 0.907 126 Q HN 0.745 nan 8.270 nan 0.000 0.433 127 E N 0.236 120.502 120.200 0.110 0.000 2.046 127 E HA -0.175 4.175 4.350 0.001 0.000 0.190 127 E C 1.646 178.314 176.600 0.114 0.000 0.982 127 E CA 1.005 57.486 56.400 0.135 0.000 0.800 127 E CB 0.137 29.977 29.700 0.233 0.000 0.756 127 E HN 0.294 nan 8.360 nan 0.000 0.449 128 K N 0.246 120.708 120.400 0.104 0.000 2.211 128 K HA 0.014 4.335 4.320 0.001 0.000 0.203 128 K C 0.563 177.185 176.600 0.037 0.000 1.050 128 K CA 0.316 56.633 56.287 0.050 0.000 0.945 128 K CB 0.203 32.675 32.500 -0.048 0.000 0.732 128 K HN 0.003 nan 8.250 nan 0.000 0.451 129 V N 3.349 123.292 119.914 0.048 0.000 2.446 129 V HA -0.044 4.076 4.120 0.001 0.000 0.276 129 V C 0.455 176.572 176.094 0.038 0.000 1.030 129 V CA -0.009 62.320 62.300 0.049 0.000 1.033 129 V CB 0.600 32.465 31.823 0.071 0.000 0.993 129 V HN 0.295 nan 8.190 nan 0.000 0.477 130 Q N 4.513 124.328 119.800 0.026 0.000 2.361 130 Q HA 0.056 4.396 4.340 0.001 0.000 0.276 130 Q C 0.446 176.458 176.000 0.020 0.000 1.022 130 Q CA -0.137 55.677 55.803 0.020 0.000 0.898 130 Q CB 0.463 29.206 28.738 0.010 0.000 1.246 130 Q HN 0.685 nan 8.270 nan 0.000 0.410 131 K N 3.385 123.796 120.400 0.018 0.000 2.472 131 K HA -0.163 4.158 4.320 0.001 0.000 0.280 131 K C -0.662 175.946 176.600 0.013 0.000 1.028 131 K CA 0.637 56.934 56.287 0.017 0.000 1.045 131 K CB 0.239 32.748 32.500 0.014 0.000 0.902 131 K HN 0.750 nan 8.250 nan 0.000 0.478 132 D N 2.427 122.836 120.400 0.016 0.000 3.012 132 D HA -0.159 4.482 4.640 0.001 0.000 0.222 132 D C 0.086 176.391 176.300 0.009 0.000 1.167 132 D CA 1.222 55.230 54.000 0.014 0.000 0.854 132 D CB -1.202 39.604 40.800 0.010 0.000 1.107 132 D HN 0.544 nan 8.370 nan 0.000 0.421 133 S N -0.843 114.862 115.700 0.008 0.000 2.470 133 S HA 0.078 4.548 4.470 0.001 0.000 0.225 133 S C 1.273 175.861 174.600 -0.020 0.000 1.006 133 S CA 0.127 58.322 58.200 -0.009 0.000 0.934 133 S CB 0.582 63.775 63.200 -0.012 0.000 0.778 133 S HN 0.316 nan 8.310 nan 0.000 0.517 134 L N 1.545 122.773 121.223 0.008 0.000 2.399 134 L HA 0.459 4.799 4.340 0.001 0.000 0.265 134 L C 0.556 177.452 176.870 0.044 0.000 1.089 134 L CA -0.874 53.980 54.840 0.022 0.000 0.802 134 L CB 0.477 42.598 42.059 0.103 0.000 1.180 134 L HN 0.068 nan 8.230 nan 0.000 0.454 135 R N 1.812 122.351 120.500 0.066 0.000 2.643 135 R HA 0.085 4.426 4.340 0.001 0.000 0.270 135 R C -1.729 174.636 176.300 0.109 0.000 1.061 135 R CA -0.787 55.366 56.100 0.088 0.000 1.107 135 R CB 0.733 31.107 30.300 0.123 0.000 0.999 135 R HN 0.274 nan 8.270 nan 0.000 0.460 136 P HA -0.256 nan 4.420 nan 0.000 0.217 136 P C 0.373 177.724 177.300 0.085 0.000 1.162 136 P CA 1.610 64.750 63.100 0.067 0.000 0.901 136 P CB 0.104 31.833 31.700 0.048 0.000 0.793 137 E N -1.097 119.191 120.200 0.146 0.000 2.150 137 E HA -0.132 4.219 4.350 0.001 0.000 0.193 137 E C 1.940 178.582 176.600 0.069 0.000 0.985 137 E CA 0.886 57.398 56.400 0.188 0.000 0.814 137 E CB -0.400 29.526 29.700 0.377 0.000 0.752 137 E HN 0.079 nan 8.360 nan 0.000 0.466 138 A N 1.025 123.947 122.820 0.170 0.000 1.930 138 A HA -0.058 4.262 4.320 0.001 0.000 0.217 138 A C 2.337 179.978 177.584 0.096 0.000 1.175 138 A CA 1.523 53.635 52.037 0.124 0.000 0.627 138 A CB -0.575 18.710 19.000 0.475 0.000 0.815 138 A HN 0.369 nan 8.150 nan 0.000 0.443 139 A N -0.321 122.563 122.820 0.107 0.000 1.898 139 A HA -0.144 4.177 4.320 0.001 0.000 0.216 139 A C 2.252 179.864 177.584 0.046 0.000 1.181 139 A CA 1.651 53.732 52.037 0.073 0.000 0.620 139 A CB -0.477 18.558 19.000 0.057 0.000 0.819 139 A HN 0.538 nan 8.150 nan 0.000 0.442 140 R N -2.041 118.493 120.500 0.057 0.000 2.081 140 R HA -0.182 4.158 4.340 0.001 0.000 0.235 140 R C 2.069 178.489 176.300 0.201 0.000 1.131 140 R CA 1.838 57.986 56.100 0.079 0.000 0.960 140 R CB -0.478 29.816 30.300 -0.011 0.000 0.856 140 R HN 0.600 nan 8.270 nan 0.000 0.436 141 Y N 1.077 121.373 120.300 -0.007 0.000 2.145 141 Y HA -0.238 4.313 4.550 0.001 0.000 0.286 141 Y C 1.912 177.717 175.900 -0.157 0.000 1.145 141 Y CA 1.615 59.572 58.100 -0.239 0.000 1.148 141 Y CB -0.477 37.441 38.460 -0.903 0.000 0.981 141 Y HN 0.148 nan 8.280 nan 0.000 0.507 142 L N 0.876 121.980 121.223 -0.199 0.000 2.017 142 L HA -0.179 4.161 4.340 0.001 0.000 0.208 142 L C 2.062 178.828 176.870 -0.174 0.000 1.073 142 L CA 2.155 56.860 54.840 -0.225 0.000 0.745 142 L CB -0.966 41.057 42.059 -0.059 0.000 0.894 142 L HN 0.332 nan 8.230 nan 0.000 0.432 143 E N -0.848 119.303 120.200 -0.081 0.000 2.110 143 E HA -0.280 4.070 4.350 0.001 0.000 0.193 143 E C 2.265 178.832 176.600 -0.055 0.000 0.988 143 E CA 1.108 57.478 56.400 -0.050 0.000 0.804 143 E CB -0.159 29.532 29.700 -0.015 0.000 0.745 143 E HN 0.302 nan 8.360 nan 0.000 0.458 144 R N 1.254 121.722 120.500 -0.053 0.000 2.075 144 R HA -0.085 4.256 4.340 0.001 0.000 0.232 144 R C 2.116 178.348 176.300 -0.114 0.000 1.126 144 R CA 1.133 57.209 56.100 -0.040 0.000 0.963 144 R CB -0.490 29.843 30.300 0.054 0.000 0.858 144 R HN 0.149 nan 8.270 nan 0.000 0.435 145 L N -0.129 120.947 121.223 -0.246 0.000 2.046 145 L HA -0.180 4.160 4.340 0.001 0.000 0.208 145 L C 2.207 179.071 176.870 -0.011 0.000 1.077 145 L CA 0.934 55.648 54.840 -0.209 0.000 0.747 145 L CB -0.510 41.323 42.059 -0.377 0.000 0.896 145 L HN 0.205 nan 8.230 nan 0.000 0.432 146 I N 0.308 120.861 120.570 -0.029 0.000 2.179 146 I HA -0.275 3.895 4.170 0.001 0.000 0.242 146 I C 2.611 178.798 176.117 0.116 0.000 1.088 146 I CA 1.453 62.801 61.300 0.080 0.000 1.357 146 I CB -0.793 37.189 38.000 -0.030 0.000 1.051 146 I HN 0.247 nan 8.210 nan 0.000 0.409 147 K N 1.546 121.956 120.400 0.018 0.000 2.026 147 K HA -0.119 4.201 4.320 0.001 0.000 0.208 147 K C 2.104 178.695 176.600 -0.015 0.000 1.048 147 K CA 1.438 57.723 56.287 -0.004 0.000 0.929 147 K CB -0.587 31.905 32.500 -0.013 0.000 0.713 147 K HN 0.230 nan 8.250 nan 0.000 0.439 148 L N -0.305 120.903 121.223 -0.024 0.000 2.079 148 L HA -0.118 4.222 4.340 0.001 0.000 0.210 148 L C 2.447 179.266 176.870 -0.087 0.000 1.081 148 L CA 1.523 56.334 54.840 -0.049 0.000 0.752 148 L CB -0.905 41.118 42.059 -0.059 0.000 0.896 148 L HN 0.481 nan 8.230 nan 0.000 0.433 149 G N -0.303 108.423 108.800 -0.124 0.000 2.408 149 G HA2 -0.208 3.752 3.960 0.001 0.000 0.217 149 G HA3 -0.208 3.752 3.960 0.001 0.000 0.217 149 G C 1.745 176.403 174.900 -0.404 0.000 1.150 149 G CA 0.321 45.119 45.100 -0.503 0.000 0.776 149 G HN 0.291 nan 8.290 nan 0.000 0.542 150 R N -0.082 120.289 120.500 -0.216 0.000 2.115 150 R HA 0.068 4.409 4.340 0.001 0.000 0.230 150 R C 2.660 179.027 176.300 0.112 0.000 1.111 150 R CA 0.773 56.783 56.100 -0.149 0.000 0.976 150 R CB -0.191 29.895 30.300 -0.357 0.000 0.870 150 R HN 0.246 nan 8.270 nan 0.000 0.445 151 R N 0.186 120.737 120.500 0.085 0.000 2.235 151 R HA 0.024 4.365 4.340 0.001 0.000 0.213 151 R C 1.134 177.534 176.300 0.166 0.000 1.059 151 R CA 0.608 56.836 56.100 0.213 0.000 0.997 151 R CB 0.002 30.367 30.300 0.107 0.000 0.884 151 R HN 0.184 nan 8.270 nan 0.000 0.462 152 N N -0.248 118.472 118.700 0.033 0.000 2.336 152 N HA 0.022 4.763 4.740 0.001 0.000 0.189 152 N C 0.727 176.216 175.510 -0.035 0.000 1.113 152 N CA 0.828 53.864 53.050 -0.022 0.000 0.858 152 N CB 1.195 39.624 38.487 -0.096 0.000 0.970 152 N HN 0.344 nan 8.380 nan 0.000 0.471 153 G N 1.088 109.907 108.800 0.032 0.000 2.153 153 G HA2 -0.267 3.694 3.960 0.001 0.000 0.252 153 G HA3 -0.267 3.694 3.960 0.001 0.000 0.252 153 G C 0.923 175.781 174.900 -0.070 0.000 0.994 153 G CA 0.328 45.430 45.100 0.003 0.000 0.698 153 G HN 0.369 nan 8.290 nan 0.000 0.521 154 L N 0.543 121.705 121.223 -0.101 0.000 2.353 154 L HA -0.036 4.305 4.340 0.001 0.000 0.220 154 L C 2.624 179.473 176.870 -0.035 0.000 1.133 154 L CA 1.536 56.268 54.840 -0.180 0.000 0.798 154 L CB -0.555 41.207 42.059 -0.494 0.000 0.922 154 L HN 0.675 nan 8.230 nan 0.000 0.445 155 H N -0.875 118.137 119.070 -0.097 0.000 2.553 155 H HA 0.240 4.797 4.556 0.001 0.000 0.265 155 H C 0.813 176.144 175.328 0.005 0.000 0.964 155 H CA -0.374 55.692 56.048 0.029 0.000 1.156 155 H CB -0.379 29.436 29.762 0.089 0.000 1.411 155 H HN 0.238 nan 8.280 nan 0.000 0.558 156 L N 1.686 122.618 121.223 -0.484 0.000 2.439 156 L HA 0.334 4.675 4.340 0.001 0.000 0.259 156 L C -1.944 174.824 176.870 -0.170 0.000 1.129 156 L CA -2.132 52.480 54.840 -0.379 0.000 0.803 156 L CB 0.409 42.221 42.059 -0.411 0.000 1.161 156 L HN -0.017 nan 8.230 nan 0.000 0.462 157 P HA 0.015 nan 4.420 nan 0.000 0.268 157 P C -0.029 177.229 177.300 -0.070 0.000 1.208 157 P CA -0.283 62.772 63.100 -0.075 0.000 0.777 157 P CB 0.536 32.200 31.700 -0.061 0.000 0.875 158 R N 2.690 123.160 120.500 -0.050 0.000 2.091 158 R HA -0.212 4.129 4.340 0.001 0.000 0.238 158 R C 1.906 178.179 176.300 -0.045 0.000 1.136 158 R CA 2.102 58.175 56.100 -0.045 0.000 0.959 158 R CB -1.116 29.165 30.300 -0.032 0.000 0.856 158 R HN 0.568 nan 8.270 nan 0.000 0.437 159 E N -1.234 118.941 120.200 -0.041 0.000 2.110 159 E HA -0.158 4.192 4.350 0.001 0.000 0.193 159 E C 1.267 177.840 176.600 -0.045 0.000 0.988 159 E CA 1.750 58.127 56.400 -0.038 0.000 0.804 159 E CB -0.014 29.667 29.700 -0.032 0.000 0.745 159 E HN 0.420 nan 8.360 nan 0.000 0.458 160 T N 0.776 115.296 114.554 -0.057 0.000 2.737 160 T HA -0.136 4.214 4.350 0.001 0.000 0.265 160 T C 1.797 176.454 174.700 -0.070 0.000 1.038 160 T CA 1.218 63.279 62.100 -0.066 0.000 1.144 160 T CB -0.135 68.681 68.868 -0.087 0.000 0.866 160 T HN 0.258 nan 8.240 nan 0.000 0.434 161 Q N 0.630 120.384 119.800 -0.077 0.000 2.124 161 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 161 Q C 2.324 178.288 176.000 -0.059 0.000 0.977 161 Q CA 1.198 56.957 55.803 -0.074 0.000 0.850 161 Q CB -0.152 28.540 28.738 -0.076 0.000 0.901 161 Q HN 0.643 nan 8.270 nan 0.000 0.429 162 E N 0.473 120.643 120.200 -0.050 0.000 2.072 162 E HA -0.132 4.218 4.350 0.001 0.000 0.191 162 E C 1.838 178.414 176.600 -0.041 0.000 0.985 162 E CA 0.608 56.983 56.400 -0.041 0.000 0.801 162 E CB 0.007 29.686 29.700 -0.035 0.000 0.750 162 E HN 0.332 nan 8.360 nan 0.000 0.452 163 N N 0.798 119.472 118.700 -0.043 0.000 2.142 163 N HA -0.105 4.635 4.740 0.001 0.000 0.186 163 N C 1.983 177.464 175.510 -0.048 0.000 1.023 163 N CA 0.860 53.885 53.050 -0.041 0.000 0.852 163 N CB -0.035 38.428 38.487 -0.040 0.000 0.998 163 N HN 0.168 nan 8.380 nan 0.000 0.424 164 I N 1.538 122.074 120.570 -0.057 0.000 2.179 164 I HA -0.271 3.900 4.170 0.001 0.000 0.242 164 I C 2.579 178.660 176.117 -0.059 0.000 1.088 164 I CA 1.112 62.373 61.300 -0.066 0.000 1.357 164 I CB -0.206 37.750 38.000 -0.073 0.000 1.051 164 I HN 0.123 nan 8.210 nan 0.000 0.409 165 K N 1.225 121.593 120.400 -0.053 0.000 2.063 165 K HA -0.254 4.066 4.320 0.001 0.000 0.208 165 K C 2.388 178.963 176.600 -0.041 0.000 1.048 165 K CA 1.593 57.851 56.287 -0.047 0.000 0.928 165 K CB -0.129 32.344 32.500 -0.044 0.000 0.713 165 K HN 0.148 nan 8.250 nan 0.000 0.442 166 R N 0.645 121.121 120.500 -0.039 0.000 2.075 166 R HA -0.079 4.261 4.340 0.001 0.000 0.232 166 R C 2.247 178.526 176.300 -0.036 0.000 1.126 166 R CA 1.500 57.580 56.100 -0.033 0.000 0.963 166 R CB -0.203 30.078 30.300 -0.030 0.000 0.858 166 R HN 0.258 nan 8.270 nan 0.000 0.435 167 I N 0.746 121.290 120.570 -0.043 0.000 2.252 167 I HA -0.233 3.938 4.170 0.001 0.000 0.245 167 I C 2.171 178.257 176.117 -0.052 0.000 1.102 167 I CA 1.290 62.560 61.300 -0.049 0.000 1.385 167 I CB -0.178 37.787 38.000 -0.059 0.000 1.064 167 I HN 0.166 nan 8.210 nan 0.000 0.414 168 K N 0.815 121.184 120.400 -0.053 0.000 2.103 168 K HA -0.233 4.088 4.320 0.001 0.000 0.207 168 K C 2.165 178.742 176.600 -0.038 0.000 1.048 168 K CA 1.343 57.600 56.287 -0.049 0.000 0.930 168 K CB -0.110 32.362 32.500 -0.048 0.000 0.716 168 K HN 0.190 nan 8.250 nan 0.000 0.444 169 K N 1.490 121.870 120.400 -0.033 0.000 2.025 169 K HA -0.152 4.168 4.320 0.001 0.000 0.207 169 K C 1.789 178.376 176.600 -0.022 0.000 1.049 169 K CA 1.487 57.759 56.287 -0.025 0.000 0.933 169 K CB 0.135 32.621 32.500 -0.023 0.000 0.714 169 K HN -0.010 nan 8.250 nan 0.000 0.438 170 K N 0.568 120.954 120.400 -0.025 0.000 2.057 170 K HA -0.115 4.205 4.320 0.001 0.000 0.207 170 K C 2.156 178.743 176.600 -0.022 0.000 1.049 170 K CA 1.337 57.612 56.287 -0.020 0.000 0.931 170 K CB -0.142 32.344 32.500 -0.023 0.000 0.714 170 K HN 0.145 nan 8.250 nan 0.000 0.440 171 L N 0.778 121.980 121.223 -0.034 0.000 2.046 171 L HA -0.215 4.126 4.340 0.001 0.000 0.208 171 L C 2.428 179.281 176.870 -0.027 0.000 1.077 171 L CA 1.102 55.918 54.840 -0.041 0.000 0.747 171 L CB -0.412 41.610 42.059 -0.062 0.000 0.896 171 L HN 0.136 nan 8.230 nan 0.000 0.432 172 S N 0.030 115.717 115.700 -0.022 0.000 2.356 172 S HA -0.140 4.331 4.470 0.001 0.000 0.223 172 S C 1.959 176.560 174.600 0.001 0.000 1.032 172 S CA 1.202 59.395 58.200 -0.012 0.000 1.005 172 S CB -0.279 62.914 63.200 -0.012 0.000 0.867 172 S HN 0.290 nan 8.310 nan 0.000 0.449 173 L N 0.925 122.149 121.223 0.001 0.000 2.046 173 L HA -0.090 4.251 4.340 0.001 0.000 0.208 173 L C 2.277 179.162 176.870 0.025 0.000 1.077 173 L CA 1.030 55.877 54.840 0.011 0.000 0.747 173 L CB -0.633 41.430 42.059 0.006 0.000 0.896 173 L HN 0.292 nan 8.230 nan 0.000 0.432 174 L N -1.034 120.201 121.223 0.021 0.000 2.046 174 L HA -0.260 4.080 4.340 0.001 0.000 0.208 174 L C 2.738 179.653 176.870 0.075 0.000 1.077 174 L CA 1.174 56.040 54.840 0.043 0.000 0.747 174 L CB -0.592 41.479 42.059 0.020 0.000 0.896 174 L HN 0.400 nan 8.230 nan 0.000 0.432 175 C N -0.180 119.143 119.300 0.040 0.000 2.446 175 C HA -0.119 4.341 4.460 0.001 0.000 0.277 175 C C 2.726 177.776 174.990 0.100 0.000 1.275 175 C CA 0.333 59.382 59.018 0.052 0.000 1.727 175 C CB -0.588 27.152 27.740 0.001 0.000 2.010 175 C HN 0.419 nan 8.230 nan 0.000 0.486 176 I N 1.128 121.738 120.570 0.066 0.000 2.179 176 I HA -0.211 3.960 4.170 0.001 0.000 0.242 176 I C 2.107 178.270 176.117 0.077 0.000 1.088 176 I CA 1.607 62.944 61.300 0.062 0.000 1.357 176 I CB -0.569 37.453 38.000 0.036 0.000 1.051 176 I HN 0.325 nan 8.210 nan 0.000 0.409 177 D N 0.500 120.947 120.400 0.079 0.000 2.144 177 D HA -0.191 4.450 4.640 0.001 0.000 0.200 177 D C 1.932 178.287 176.300 0.091 0.000 0.978 177 D CA 1.155 55.195 54.000 0.067 0.000 0.833 177 D CB -0.382 40.451 40.800 0.055 0.000 0.961 177 D HN 0.236 nan 8.370 nan 0.000 0.470 178 F N 1.758 121.708 119.950 -0.001 0.000 2.069 178 F HA -0.236 4.291 4.527 0.001 0.000 0.298 178 F C 1.881 177.684 175.800 0.004 0.000 1.113 178 F CA 1.710 59.711 58.000 0.002 0.000 1.214 178 F CB -0.252 38.752 39.000 0.007 0.000 0.978 178 F HN -0.075 nan 8.300 nan 0.000 0.474 179 N N -0.175 118.677 118.700 0.253 0.000 2.106 179 N HA -0.193 4.547 4.740 0.001 0.000 0.188 179 N C 1.814 177.344 175.510 0.033 0.000 1.029 179 N CA 1.255 54.393 53.050 0.145 0.000 0.848 179 N CB -0.291 38.282 38.487 0.144 0.000 1.007 179 N HN 0.215 nan 8.380 nan 0.000 0.423 180 K N 1.052 121.470 120.400 0.030 0.000 2.063 180 K HA -0.144 4.177 4.320 0.001 0.000 0.208 180 K C 1.397 177.979 176.600 -0.030 0.000 1.048 180 K CA 1.296 57.585 56.287 0.003 0.000 0.928 180 K CB 0.064 32.570 32.500 0.010 0.000 0.713 180 K HN 0.116 nan 8.250 nan 0.000 0.442 181 N N 1.021 119.684 118.700 -0.061 0.000 2.069 181 N HA -0.184 4.556 4.740 0.001 0.000 0.191 181 N C 1.866 177.305 175.510 -0.119 0.000 1.031 181 N CA 1.387 54.376 53.050 -0.100 0.000 0.852 181 N CB -0.355 38.039 38.487 -0.154 0.000 1.018 181 N HN 0.207 nan 8.380 nan 0.000 0.423 182 L N 0.868 121.997 121.223 -0.156 0.000 2.017 182 L HA -0.124 4.217 4.340 0.001 0.000 0.208 182 L C 1.786 178.620 176.870 -0.061 0.000 1.073 182 L CA 0.973 55.731 54.840 -0.137 0.000 0.745 182 L CB -0.441 41.532 42.059 -0.144 0.000 0.894 182 L HN 0.163 nan 8.230 nan 0.000 0.432 183 N N 0.080 118.761 118.700 -0.032 0.000 2.244 183 N HA -0.159 4.581 4.740 0.001 0.000 0.183 183 N C 1.594 177.099 175.510 -0.007 0.000 1.016 183 N CA 1.122 54.166 53.050 -0.010 0.000 0.866 183 N CB -0.112 38.374 38.487 -0.003 0.000 0.980 183 N HN 0.476 nan 8.380 nan 0.000 0.430 184 E N 0.504 120.695 120.200 -0.015 0.000 2.435 184 E HA -0.036 4.315 4.350 0.001 0.000 0.195 184 E C 0.196 176.793 176.600 -0.005 0.000 1.029 184 E CA -0.120 56.275 56.400 -0.008 0.000 0.865 184 E CB 0.142 29.835 29.700 -0.012 0.000 0.833 184 E HN 0.324 nan 8.360 nan 0.000 0.510 185 D N 1.684 122.074 120.400 -0.017 0.000 2.488 185 D HA -0.059 4.581 4.640 0.001 0.000 0.238 185 D C 0.229 176.545 176.300 0.026 0.000 1.138 185 D CA 0.799 54.792 54.000 -0.013 0.000 0.873 185 D CB 0.875 41.647 40.800 -0.046 0.000 1.183 185 D HN 0.026 nan 8.370 nan 0.000 0.458 186 T N -0.245 114.337 114.554 0.047 0.000 3.415 186 T HA 0.158 4.508 4.350 0.001 0.000 0.282 186 T C 0.239 175.034 174.700 0.159 0.000 1.007 186 T CA -0.647 61.515 62.100 0.103 0.000 0.958 186 T CB 0.049 68.979 68.868 0.104 0.000 1.171 186 T HN 0.182 nan 8.240 nan 0.000 0.500 187 T N 3.592 118.203 114.554 0.094 0.000 2.930 187 T HA 0.517 4.868 4.350 0.001 0.000 0.306 187 T C -0.455 174.348 174.700 0.172 0.000 1.045 187 T CA -0.115 62.014 62.100 0.047 0.000 1.134 187 T CB -0.056 68.802 68.868 -0.016 0.000 0.961 187 T HN 0.583 nan 8.240 nan 0.000 0.545 188 F N 1.109 121.093 119.950 0.056 0.000 2.645 188 F HA 0.807 5.335 4.527 0.001 0.000 0.310 188 F C -2.283 173.536 175.800 0.032 0.000 1.102 188 F CA -1.860 56.191 58.000 0.085 0.000 0.952 188 F CB 0.909 39.958 39.000 0.081 0.000 1.326 188 F HN 0.221 nan 8.300 nan 0.000 0.456 189 L N 3.286 124.656 121.223 0.245 0.000 2.385 189 L HA 0.640 4.980 4.340 0.001 0.000 0.273 189 L C -2.635 174.179 176.870 -0.093 0.000 0.990 189 L CA -1.843 52.951 54.840 -0.076 0.000 0.821 189 L CB 2.271 44.264 42.059 -0.110 0.000 1.279 189 L HN 0.450 nan 8.230 nan 0.000 0.412 190 P HA 0.397 nan 4.420 nan 0.000 0.293 190 P C -1.261 175.746 177.300 -0.488 0.000 1.300 190 P CA -0.193 62.812 63.100 -0.157 0.000 0.792 190 P CB 0.661 32.357 31.700 -0.007 0.000 0.925 191 F N 0.436 120.428 119.950 0.070 0.000 2.576 191 F HA 0.369 4.896 4.527 0.001 0.000 0.313 191 F C 1.198 177.013 175.800 0.025 0.000 1.078 191 F CA -0.462 57.560 58.000 0.037 0.000 0.921 191 F CB 2.087 41.105 39.000 0.029 0.000 1.232 191 F HN 0.195 nan 8.300 nan 0.000 0.459 192 T N -0.631 114.056 114.554 0.223 0.000 2.849 192 T HA 0.358 4.708 4.350 0.001 0.000 0.284 192 T C 1.152 175.916 174.700 0.106 0.000 1.004 192 T CA -0.729 61.445 62.100 0.123 0.000 1.021 192 T CB 0.907 69.827 68.868 0.088 0.000 1.013 192 T HN 0.609 nan 8.240 nan 0.000 0.527 193 L N 0.399 121.663 121.223 0.070 0.000 2.129 193 L HA -0.168 4.173 4.340 0.001 0.000 0.212 193 L C 3.128 180.019 176.870 0.034 0.000 1.087 193 L CA 1.263 56.133 54.840 0.050 0.000 0.757 193 L CB -0.549 41.535 42.059 0.041 0.000 0.896 193 L HN 0.682 nan 8.230 nan 0.000 0.434 194 Q N 0.078 119.903 119.800 0.042 0.000 2.049 194 Q HA -0.178 4.163 4.340 0.001 0.000 0.198 194 Q C 2.029 178.035 176.000 0.010 0.000 0.971 194 Q CA 1.351 57.175 55.803 0.036 0.000 0.833 194 Q CB -0.178 28.589 28.738 0.047 0.000 0.896 194 Q HN 0.596 nan 8.270 nan 0.000 0.434 195 E N 0.329 120.546 120.200 0.029 0.000 2.333 195 E HA -0.091 4.260 4.350 0.001 0.000 0.198 195 E C 1.093 177.602 176.600 -0.152 0.000 1.007 195 E CA 0.384 56.780 56.400 -0.007 0.000 0.845 195 E CB 0.067 29.856 29.700 0.148 0.000 0.766 195 E HN 0.250 nan 8.360 nan 0.000 0.507 196 L N 0.629 121.782 121.223 -0.117 0.000 2.791 196 L HA 0.217 4.557 4.340 0.001 0.000 0.239 196 L C 0.981 177.714 176.870 -0.227 0.000 1.203 196 L CA -0.746 53.984 54.840 -0.183 0.000 1.002 196 L CB 0.310 42.337 42.059 -0.054 0.000 1.295 196 L HN -0.028 nan 8.230 nan 0.000 0.504 197 G N -0.411 108.213 108.800 -0.294 0.000 2.321 197 G HA2 0.310 4.270 3.960 0.001 0.000 0.237 197 G HA3 0.310 4.270 3.960 0.001 0.000 0.237 197 G C 1.055 175.462 174.900 -0.822 0.000 1.282 197 G CA 0.677 45.519 45.100 -0.431 0.000 0.886 197 G HN 0.472 nan 8.290 nan 0.000 0.528 198 G N 1.168 109.774 108.800 -0.323 0.000 2.259 198 G HA2 -0.228 3.732 3.960 0.001 0.000 0.217 198 G HA3 -0.228 3.732 3.960 0.001 0.000 0.217 198 G C 0.475 175.317 174.900 -0.097 0.000 1.001 198 G CA 0.043 45.069 45.100 -0.123 0.000 0.627 198 G HN 0.781 nan 8.290 nan 0.000 0.501 199 L N 2.510 123.646 121.223 -0.146 0.000 2.380 199 L HA 0.407 4.748 4.340 0.001 0.000 0.273 199 L C -1.441 175.422 176.870 -0.011 0.000 1.138 199 L CA -1.807 52.949 54.840 -0.139 0.000 0.832 199 L CB 0.763 42.729 42.059 -0.154 0.000 1.124 199 L HN -0.004 nan 8.230 nan 0.000 0.454 200 P HA -0.010 nan 4.420 nan 0.000 0.271 200 P C 0.315 177.686 177.300 0.118 0.000 1.238 200 P CA -0.306 62.835 63.100 0.069 0.000 0.794 200 P CB 0.602 32.346 31.700 0.073 0.000 0.959 201 E N 0.997 121.249 120.200 0.087 0.000 2.072 201 E HA -0.160 4.191 4.350 0.001 0.000 0.191 201 E C 1.431 178.083 176.600 0.085 0.000 0.985 201 E CA 1.340 57.786 56.400 0.077 0.000 0.801 201 E CB -0.672 29.060 29.700 0.052 0.000 0.750 201 E HN 0.608 nan 8.360 nan 0.000 0.452 202 D N 0.393 120.848 120.400 0.092 0.000 2.104 202 D HA -0.220 4.421 4.640 0.001 0.000 0.194 202 D C 2.060 178.422 176.300 0.103 0.000 0.994 202 D CA 0.823 54.873 54.000 0.084 0.000 0.830 202 D CB -0.922 39.931 40.800 0.088 0.000 0.959 202 D HN 0.152 nan 8.370 nan 0.000 0.452 203 F N 1.746 121.704 119.950 0.013 0.000 2.046 203 F HA -0.014 4.514 4.527 0.001 0.000 0.297 203 F C 1.295 177.089 175.800 -0.010 0.000 1.123 203 F CA 0.796 58.801 58.000 0.009 0.000 1.199 203 F CB -0.342 38.657 39.000 -0.002 0.000 0.972 203 F HN -0.166 nan 8.300 nan 0.000 0.474 204 L N 0.711 122.012 121.223 0.130 0.000 2.473 204 L HA -0.078 4.263 4.340 0.001 0.000 0.265 204 L C 1.336 178.176 176.870 -0.050 0.000 1.243 204 L CA 0.364 55.216 54.840 0.020 0.000 0.822 204 L CB -0.138 41.969 42.059 0.079 0.000 1.101 204 L HN 0.403 nan 8.230 nan 0.000 0.507 205 N N -1.167 117.500 118.700 -0.055 0.000 2.649 205 N HA -0.230 4.511 4.740 0.001 0.000 0.214 205 N C 1.264 176.727 175.510 -0.079 0.000 1.042 205 N CA 1.882 54.903 53.050 -0.048 0.000 1.906 205 N CB -0.958 37.516 38.487 -0.022 0.000 0.898 205 N HN 0.632 nan 8.380 nan 0.000 0.532 206 S N 0.984 116.607 115.700 -0.127 0.000 2.507 206 S HA 0.108 4.578 4.470 0.001 0.000 0.235 206 S C 1.020 175.532 174.600 -0.146 0.000 0.988 206 S CA 0.356 58.476 58.200 -0.134 0.000 0.944 206 S CB 0.100 63.194 63.200 -0.176 0.000 0.762 206 S HN 0.256 nan 8.310 nan 0.000 0.526 207 L N 1.758 122.868 121.223 -0.189 0.000 2.375 207 L HA 0.305 4.645 4.340 0.001 0.000 0.271 207 L C 0.704 177.521 176.870 -0.089 0.000 1.107 207 L CA -0.498 54.246 54.840 -0.160 0.000 0.806 207 L CB 0.545 42.482 42.059 -0.203 0.000 1.146 207 L HN 0.118 nan 8.230 nan 0.000 0.447 208 E N 3.712 123.865 120.200 -0.077 0.000 2.161 208 E HA -0.048 4.302 4.350 0.001 0.000 0.263 208 E C -0.244 176.306 176.600 -0.083 0.000 1.185 208 E CA -0.212 56.136 56.400 -0.086 0.000 0.938 208 E CB 0.383 30.007 29.700 -0.126 0.000 1.023 208 E HN 0.318 nan 8.360 nan 0.000 0.433 209 K N 5.697 126.062 120.400 -0.058 0.000 2.402 209 K HA 0.041 4.361 4.320 0.001 0.000 0.285 209 K C 0.040 176.613 176.600 -0.045 0.000 1.054 209 K CA -0.069 56.194 56.287 -0.041 0.000 1.001 209 K CB 0.461 32.945 32.500 -0.027 0.000 0.946 209 K HN 0.553 nan 8.250 nan 0.000 0.473 210 M N 3.389 122.965 119.600 -0.040 0.000 2.228 210 M HA 0.035 4.516 4.480 0.001 0.000 0.326 210 M C 0.772 177.061 176.300 -0.018 0.000 1.122 210 M CA 0.284 55.561 55.300 -0.037 0.000 1.161 210 M CB 0.840 33.425 32.600 -0.025 0.000 1.437 210 M HN 0.587 nan 8.290 nan 0.000 0.465 211 E N 0.408 120.599 120.200 -0.015 0.000 2.520 211 E HA -0.150 4.200 4.350 0.001 0.000 0.201 211 E C 0.097 176.696 176.600 -0.001 0.000 1.122 211 E CA 0.398 56.794 56.400 -0.008 0.000 0.896 211 E CB -0.130 29.566 29.700 -0.007 0.000 0.891 211 E HN 0.553 nan 8.360 nan 0.000 0.533 212 D N -1.454 118.947 120.400 0.001 0.000 2.449 212 D HA 0.076 4.717 4.640 0.001 0.000 0.210 212 D C 1.275 177.580 176.300 0.008 0.000 1.094 212 D CA 0.805 54.808 54.000 0.006 0.000 0.846 212 D CB 0.579 41.385 40.800 0.010 0.000 1.003 212 D HN 0.139 nan 8.370 nan 0.000 0.504 213 G N 0.490 109.293 108.800 0.006 0.000 2.349 213 G HA2 -0.250 3.711 3.960 0.001 0.000 0.213 213 G HA3 -0.250 3.711 3.960 0.001 0.000 0.213 213 G C 0.238 175.149 174.900 0.018 0.000 1.044 213 G CA -0.016 45.090 45.100 0.011 0.000 0.633 213 G HN 0.343 nan 8.290 nan 0.000 0.506 214 K N 0.840 121.253 120.400 0.022 0.000 2.319 214 K HA 0.550 4.871 4.320 0.001 0.000 0.265 214 K C 0.372 176.992 176.600 0.033 0.000 1.000 214 K CA -0.083 56.226 56.287 0.037 0.000 0.943 214 K CB 0.806 33.323 32.500 0.029 0.000 0.950 214 K HN 0.287 nan 8.250 nan 0.000 0.485 215 L N 2.072 123.331 121.223 0.061 0.000 2.325 215 L HA 0.293 4.634 4.340 0.001 0.000 0.279 215 L C 0.265 177.174 176.870 0.065 0.000 1.054 215 L CA -0.657 54.208 54.840 0.041 0.000 0.804 215 L CB 1.054 43.139 42.059 0.045 0.000 1.200 215 L HN 0.531 nan 8.230 nan 0.000 0.436 216 K N 2.368 122.765 120.400 -0.004 0.000 2.285 216 K HA 0.423 4.744 4.320 0.001 0.000 0.286 216 K C -1.301 175.355 176.600 0.093 0.000 1.072 216 K CA -0.439 55.846 56.287 -0.003 0.000 0.913 216 K CB 1.093 33.426 32.500 -0.278 0.000 1.067 216 K HN 0.358 nan 8.250 nan 0.000 0.479 217 V N 4.850 124.927 119.914 0.271 0.000 2.357 217 V HA 0.184 4.304 4.120 0.001 0.000 0.284 217 V C 0.337 176.717 176.094 0.476 0.000 1.018 217 V CA -0.739 61.755 62.300 0.324 0.000 0.841 217 V CB 1.329 33.407 31.823 0.425 0.000 0.991 217 V HN 1.007 nan 8.190 nan 0.000 0.437 218 T N 2.726 117.648 114.554 0.612 0.000 2.881 218 T HA 0.519 4.869 4.350 0.001 0.000 0.278 218 T C 0.766 175.743 174.700 0.461 0.000 0.982 218 T CA -0.644 61.745 62.100 0.482 0.000 0.989 218 T CB 1.069 70.137 68.868 0.332 0.000 1.058 218 T HN 0.335 nan 8.240 nan 0.000 0.529 219 L N -0.243 121.195 121.223 0.358 0.000 2.612 219 L HA 0.195 4.536 4.340 0.001 0.000 0.230 219 L C 0.834 177.978 176.870 0.456 0.000 1.140 219 L CA -0.213 54.862 54.840 0.392 0.000 0.896 219 L CB -0.321 41.889 42.059 0.251 0.000 1.065 219 L HN 0.458 nan 8.230 nan 0.000 0.447 220 K N -0.188 120.439 120.400 0.377 0.000 2.355 220 K HA -0.010 4.310 4.320 0.001 0.000 0.270 220 K C 0.799 177.746 176.600 0.578 0.000 1.003 220 K CA -0.110 56.427 56.287 0.416 0.000 0.957 220 K CB 0.394 32.994 32.500 0.167 0.000 0.939 220 K HN -0.133 nan 8.250 nan 0.000 0.482 221 Y N 2.141 122.663 120.300 0.370 0.000 2.139 221 Y HA -0.189 4.361 4.550 0.001 0.000 0.282 221 Y C -0.386 175.727 175.900 0.356 0.000 1.179 221 Y CA 1.481 59.847 58.100 0.443 0.000 1.161 221 Y CB -1.931 36.645 38.460 0.193 0.000 0.970 221 Y HN 0.611 nan 8.280 nan 0.000 0.511 222 P HA -0.162 nan 4.420 nan 0.000 0.225 222 P C 0.715 178.348 177.300 0.554 0.000 1.148 222 P CA 1.970 65.263 63.100 0.321 0.000 0.779 222 P CB -0.049 31.743 31.700 0.154 0.000 0.780 223 H N -3.224 116.110 119.070 0.440 0.000 2.460 223 H HA 0.018 4.575 4.556 0.001 0.000 0.297 223 H C 2.089 177.658 175.328 0.402 0.000 1.023 223 H CA 0.034 56.392 56.048 0.516 0.000 1.321 223 H CB -0.107 29.908 29.762 0.421 0.000 1.455 223 H HN -0.033 nan 8.280 nan 0.000 0.539 224 Y N 1.343 121.861 120.300 0.363 0.000 2.070 224 Y HA -0.293 4.258 4.550 0.001 0.000 0.280 224 Y C 1.865 177.736 175.900 -0.048 0.000 1.148 224 Y CA 1.600 59.743 58.100 0.071 0.000 1.125 224 Y CB -0.701 37.654 38.460 -0.174 0.000 0.975 224 Y HN -0.006 nan 8.280 nan 0.000 0.492 225 F N 0.833 120.682 119.950 -0.169 0.000 2.069 225 F HA -0.171 4.357 4.527 0.001 0.000 0.298 225 F C -0.149 175.513 175.800 -0.230 0.000 1.113 225 F CA 1.946 59.789 58.000 -0.262 0.000 1.214 225 F CB -2.252 36.707 39.000 -0.068 0.000 0.978 225 F HN 0.150 nan 8.300 nan 0.000 0.474 226 P HA -0.164 nan 4.420 nan 0.000 0.218 226 P C 2.040 179.146 177.300 -0.323 0.000 1.149 226 P CA 1.239 64.242 63.100 -0.163 0.000 0.817 226 P CB -0.057 31.503 31.700 -0.234 0.000 0.785 227 L N -0.165 120.857 121.223 -0.335 0.000 2.005 227 L HA -0.068 4.273 4.340 0.001 0.000 0.207 227 L C 2.581 179.268 176.870 -0.305 0.000 1.072 227 L CA 1.651 56.284 54.840 -0.345 0.000 0.744 227 L CB -1.507 40.413 42.059 -0.232 0.000 0.895 227 L HN -0.186 nan 8.230 nan 0.000 0.433 228 L N -0.844 120.152 121.223 -0.378 0.000 2.265 228 L HA -0.191 4.150 4.340 0.001 0.000 0.215 228 L C 2.291 179.069 176.870 -0.152 0.000 1.117 228 L CA 1.186 55.821 54.840 -0.342 0.000 0.782 228 L CB -0.401 41.302 42.059 -0.593 0.000 0.914 228 L HN 0.335 nan 8.230 nan 0.000 0.441 229 K N -1.006 119.312 120.400 -0.137 0.000 2.308 229 K HA 0.021 4.342 4.320 0.001 0.000 0.197 229 K C 1.718 178.324 176.600 0.010 0.000 1.049 229 K CA 0.286 56.542 56.287 -0.051 0.000 0.991 229 K CB 0.415 32.868 32.500 -0.077 0.000 0.836 229 K HN 0.046 nan 8.250 nan 0.000 0.500 230 K N 0.071 120.451 120.400 -0.034 0.000 2.399 230 K HA 0.095 4.416 4.320 0.001 0.000 0.196 230 K C 0.532 177.139 176.600 0.012 0.000 1.117 230 K CA 0.014 56.291 56.287 -0.018 0.000 0.965 230 K CB 0.118 32.535 32.500 -0.137 0.000 0.983 230 K HN 0.030 nan 8.250 nan 0.000 0.531 231 C N 4.547 123.759 119.300 -0.146 0.000 2.657 231 C HA 0.074 4.534 4.460 0.001 0.000 0.404 231 C C 1.651 176.413 174.990 -0.379 0.000 1.369 231 C CA -0.303 58.531 59.018 -0.306 0.000 1.665 231 C CB -1.257 26.264 27.740 -0.366 0.000 2.453 231 C HN 0.548 nan 8.230 nan 0.000 0.599 232 H N 2.743 121.696 119.070 -0.195 0.000 2.547 232 H HA 0.281 4.838 4.556 0.001 0.000 0.266 232 H C 0.122 175.286 175.328 -0.272 0.000 0.988 232 H CA -0.272 55.597 56.048 -0.298 0.000 1.147 232 H CB -0.628 29.122 29.762 -0.020 0.000 1.365 232 H HN 0.349 nan 8.280 nan 0.000 0.589 233 V N 4.653 124.421 119.914 -0.244 0.000 2.353 233 V HA 0.079 4.199 4.120 0.001 0.000 0.264 233 V C -1.062 174.930 176.094 -0.169 0.000 1.049 233 V CA -1.284 60.941 62.300 -0.123 0.000 0.896 233 V CB 1.517 33.235 31.823 -0.175 0.000 1.025 233 V HN 0.334 nan 8.190 nan 0.000 0.475 234 P HA -0.185 nan 4.420 nan 0.000 0.216 234 P C 1.300 178.535 177.300 -0.107 0.000 1.153 234 P CA 1.206 64.293 63.100 -0.022 0.000 0.858 234 P CB 0.578 32.344 31.700 0.111 0.000 0.789 235 E N -0.555 119.581 120.200 -0.106 0.000 2.153 235 E HA -0.093 4.258 4.350 0.001 0.000 0.194 235 E C 2.011 178.503 176.600 -0.179 0.000 0.988 235 E CA 1.276 57.585 56.400 -0.152 0.000 0.811 235 E CB -0.801 28.862 29.700 -0.061 0.000 0.746 235 E HN 0.278 nan 8.360 nan 0.000 0.466 236 T N 0.610 115.037 114.554 -0.212 0.000 2.812 236 T HA -0.048 4.302 4.350 0.001 0.000 0.264 236 T C 1.905 176.403 174.700 -0.336 0.000 1.042 236 T CA 0.720 62.595 62.100 -0.375 0.000 1.140 236 T CB -0.002 68.507 68.868 -0.598 0.000 0.870 236 T HN 0.150 nan 8.240 nan 0.000 0.445 237 R N 0.809 121.141 120.500 -0.280 0.000 2.081 237 R HA 0.017 4.358 4.340 0.001 0.000 0.235 237 R C 2.694 178.879 176.300 -0.192 0.000 1.131 237 R CA 1.057 57.044 56.100 -0.189 0.000 0.960 237 R CB -0.274 29.978 30.300 -0.081 0.000 0.856 237 R HN 0.294 nan 8.270 nan 0.000 0.436 238 R N 1.727 121.911 120.500 -0.526 0.000 2.083 238 R HA -0.158 4.183 4.340 0.001 0.000 0.237 238 R C 1.875 177.919 176.300 -0.427 0.000 1.137 238 R CA 1.743 57.246 56.100 -0.996 0.000 0.951 238 R CB -0.012 29.372 30.300 -1.527 0.000 0.851 238 R HN 0.106 nan 8.270 nan 0.000 0.434 239 K N -0.235 120.032 120.400 -0.222 0.000 2.057 239 K HA -0.085 4.236 4.320 0.001 0.000 0.207 239 K C 2.018 178.673 176.600 0.093 0.000 1.049 239 K CA 1.551 57.826 56.287 -0.020 0.000 0.931 239 K CB 0.016 32.610 32.500 0.158 0.000 0.714 239 K HN 0.063 nan 8.250 nan 0.000 0.440 240 V N 1.630 121.621 119.914 0.129 0.000 2.453 240 V HA -0.189 3.932 4.120 0.001 0.000 0.247 240 V C 2.393 178.671 176.094 0.306 0.000 1.048 240 V CA 1.561 64.002 62.300 0.236 0.000 1.049 240 V CB -0.340 31.598 31.823 0.191 0.000 0.672 240 V HN 0.366 nan 8.190 nan 0.000 0.457 241 E N 0.663 121.008 120.200 0.241 0.000 2.072 241 E HA -0.267 4.084 4.350 0.001 0.000 0.191 241 E C 2.247 179.003 176.600 0.260 0.000 0.985 241 E CA 1.737 58.335 56.400 0.331 0.000 0.801 241 E CB -0.033 29.858 29.700 0.317 0.000 0.750 241 E HN 0.754 nan 8.360 nan 0.000 0.452 242 E N 0.052 120.342 120.200 0.150 0.000 2.058 242 E HA -0.202 4.149 4.350 0.001 0.000 0.194 242 E C 1.970 178.625 176.600 0.092 0.000 0.997 242 E CA 1.277 57.738 56.400 0.103 0.000 0.801 242 E CB -0.147 29.564 29.700 0.019 0.000 0.746 242 E HN 0.257 nan 8.360 nan 0.000 0.450 243 A N 0.651 123.530 122.820 0.099 0.000 1.873 243 A HA -0.166 4.155 4.320 0.001 0.000 0.215 243 A C 2.049 179.668 177.584 0.058 0.000 1.186 243 A CA 1.342 53.420 52.037 0.068 0.000 0.616 243 A CB -1.010 18.042 19.000 0.087 0.000 0.823 243 A HN 0.521 nan 8.150 nan 0.000 0.442 244 F N 1.221 121.127 119.950 -0.072 0.000 2.161 244 F HA -0.152 4.376 4.527 0.001 0.000 0.300 244 F C 1.482 177.166 175.800 -0.193 0.000 1.089 244 F CA 1.861 59.713 58.000 -0.246 0.000 1.282 244 F CB -0.034 38.546 39.000 -0.699 0.000 1.010 244 F HN 0.193 nan 8.300 nan 0.000 0.485 245 N N -0.265 118.487 118.700 0.085 0.000 2.370 245 N HA 0.035 4.776 4.740 0.001 0.000 0.198 245 N C 0.638 176.120 175.510 -0.046 0.000 1.156 245 N CA 0.599 53.657 53.050 0.014 0.000 0.839 245 N CB 0.361 38.926 38.487 0.131 0.000 0.989 245 N HN 0.169 nan 8.380 nan 0.000 0.468 246 S N -0.423 115.235 115.700 -0.070 0.000 2.666 246 S HA 0.223 4.694 4.470 0.001 0.000 0.239 246 S C 0.521 175.056 174.600 -0.108 0.000 1.031 246 S CA -0.451 57.710 58.200 -0.065 0.000 1.015 246 S CB 1.300 64.484 63.200 -0.027 0.000 0.981 246 S HN 0.195 nan 8.310 nan 0.000 0.547 247 R N 0.637 121.033 120.500 -0.174 0.000 2.585 247 R HA 0.070 4.410 4.340 0.001 0.000 0.275 247 R C 0.524 176.714 176.300 -0.184 0.000 1.018 247 R CA 0.350 56.335 56.100 -0.191 0.000 1.072 247 R CB -0.248 29.883 30.300 -0.281 0.000 0.953 247 R HN 0.356 nan 8.270 nan 0.000 0.419 248 C N 1.332 120.538 119.300 -0.155 0.000 4.184 248 C HA -0.217 4.244 4.460 0.001 0.000 0.295 248 C C 2.127 177.034 174.990 -0.137 0.000 1.477 248 C CA 0.979 59.902 59.018 -0.158 0.000 2.037 248 C CB -2.247 25.354 27.740 -0.232 0.000 1.282 248 C HN 1.011 nan 8.230 nan 0.000 0.783 249 K N 1.226 121.564 120.400 -0.104 0.000 2.032 249 K HA -0.258 4.062 4.320 0.001 0.000 0.218 249 K C 2.011 178.584 176.600 -0.045 0.000 1.054 249 K CA 2.265 58.511 56.287 -0.068 0.000 0.941 249 K CB -0.048 32.423 32.500 -0.048 0.000 0.720 249 K HN 0.652 nan 8.250 nan 0.000 0.449 250 E N 0.683 120.858 120.200 -0.041 0.000 2.017 250 E HA -0.195 4.156 4.350 0.001 0.000 0.193 250 E C 2.058 178.645 176.600 -0.022 0.000 0.997 250 E CA 1.762 58.147 56.400 -0.025 0.000 0.804 250 E CB -0.296 29.389 29.700 -0.025 0.000 0.757 250 E HN 0.466 nan 8.360 nan 0.000 0.448 251 E N 1.097 121.274 120.200 -0.038 0.000 2.051 251 E HA -0.134 4.216 4.350 0.001 0.000 0.192 251 E C 1.863 178.452 176.600 -0.019 0.000 0.991 251 E CA 1.074 57.456 56.400 -0.031 0.000 0.799 251 E CB -0.335 29.335 29.700 -0.049 0.000 0.748 251 E HN 0.126 nan 8.360 nan 0.000 0.449 252 N N 0.003 118.662 118.700 -0.068 0.000 2.331 252 N HA -0.080 4.660 4.740 0.001 0.000 0.180 252 N C 1.581 177.169 175.510 0.130 0.000 1.019 252 N CA 1.243 54.264 53.050 -0.048 0.000 0.881 252 N CB -0.181 38.062 38.487 -0.406 0.000 0.972 252 N HN 0.244 nan 8.380 nan 0.000 0.435 253 S N -0.394 115.345 115.700 0.065 0.000 2.406 253 S HA 0.060 4.530 4.470 0.001 0.000 0.228 253 S C 2.043 176.688 174.600 0.075 0.000 1.020 253 S CA 0.804 59.054 58.200 0.083 0.000 0.965 253 S CB -0.297 62.928 63.200 0.042 0.000 0.798 253 S HN 0.285 nan 8.310 nan 0.000 0.488 254 A N 2.038 124.892 122.820 0.056 0.000 1.897 254 A HA 0.200 4.520 4.320 0.001 0.000 0.215 254 A C 2.202 179.823 177.584 0.061 0.000 1.181 254 A CA 1.170 53.234 52.037 0.044 0.000 0.620 254 A CB -0.772 18.245 19.000 0.027 0.000 0.821 254 A HN 0.539 nan 8.150 nan 0.000 0.443 255 I N -0.776 119.853 120.570 0.100 0.000 2.226 255 I HA -0.229 3.941 4.170 0.001 0.000 0.245 255 I C 2.402 178.581 176.117 0.103 0.000 1.100 255 I CA 1.022 62.396 61.300 0.124 0.000 1.374 255 I CB -0.249 37.887 38.000 0.227 0.000 1.057 255 I HN 0.331 nan 8.210 nan 0.000 0.413 256 L N 1.239 122.548 121.223 0.144 0.000 2.042 256 L HA -0.239 4.102 4.340 0.001 0.000 0.210 256 L C 2.460 179.330 176.870 0.001 0.000 1.076 256 L CA 1.890 56.760 54.840 0.049 0.000 0.749 256 L CB -0.773 41.352 42.059 0.111 0.000 0.893 256 L HN 0.138 nan 8.230 nan 0.000 0.432 257 K N -0.713 119.699 120.400 0.021 0.000 2.097 257 K HA -0.243 4.077 4.320 0.001 0.000 0.206 257 K C 2.100 178.694 176.600 -0.012 0.000 1.049 257 K CA 1.753 58.040 56.287 0.000 0.000 0.933 257 K CB -0.087 32.420 32.500 0.011 0.000 0.717 257 K HN 0.493 nan 8.250 nan 0.000 0.442 258 E N 0.434 120.632 120.200 -0.003 0.000 2.107 258 E HA -0.112 4.239 4.350 0.001 0.000 0.191 258 E C 2.096 178.676 176.600 -0.033 0.000 0.982 258 E CA 0.535 56.928 56.400 -0.012 0.000 0.809 258 E CB 0.059 29.759 29.700 -0.001 0.000 0.756 258 E HN 0.285 nan 8.360 nan 0.000 0.459 259 L N 0.202 121.400 121.223 -0.041 0.000 2.012 259 L HA -0.210 4.130 4.340 0.001 0.000 0.210 259 L C 2.491 179.310 176.870 -0.084 0.000 1.073 259 L CA 0.866 55.663 54.840 -0.071 0.000 0.748 259 L CB -0.452 41.551 42.059 -0.093 0.000 0.891 259 L HN 0.111 nan 8.230 nan 0.000 0.431 260 V N -0.461 119.404 119.914 -0.083 0.000 2.287 260 V HA -0.318 3.803 4.120 0.001 0.000 0.248 260 V C 2.560 178.618 176.094 -0.061 0.000 1.053 260 V CA 2.492 64.737 62.300 -0.093 0.000 1.027 260 V CB -0.786 30.973 31.823 -0.106 0.000 0.646 260 V HN 0.503 nan 8.190 nan 0.000 0.447 261 T N 0.256 114.783 114.554 -0.046 0.000 2.708 261 T HA -0.112 4.239 4.350 0.001 0.000 0.266 261 T C 1.895 176.570 174.700 -0.042 0.000 1.037 261 T CA 1.509 63.590 62.100 -0.032 0.000 1.146 261 T CB -0.294 68.561 68.868 -0.022 0.000 0.865 261 T HN 0.278 nan 8.240 nan 0.000 0.435 262 L N 0.269 121.458 121.223 -0.056 0.000 2.093 262 L HA -0.055 4.286 4.340 0.001 0.000 0.208 262 L C 2.918 179.727 176.870 -0.102 0.000 1.085 262 L CA 1.311 56.110 54.840 -0.068 0.000 0.755 262 L CB -0.436 41.583 42.059 -0.067 0.000 0.904 262 L HN 0.162 nan 8.230 nan 0.000 0.435 263 R N -0.197 120.211 120.500 -0.154 0.000 2.096 263 R HA -0.129 4.212 4.340 0.001 0.000 0.235 263 R C 2.432 178.659 176.300 -0.121 0.000 1.127 263 R CA 1.281 57.212 56.100 -0.282 0.000 0.968 263 R CB -0.429 29.528 30.300 -0.572 0.000 0.861 263 R HN 0.348 nan 8.270 nan 0.000 0.440 264 A N 0.806 123.601 122.820 -0.043 0.000 1.902 264 A HA -0.236 4.084 4.320 0.001 0.000 0.217 264 A C 2.084 179.675 177.584 0.012 0.000 1.181 264 A CA 1.310 53.361 52.037 0.024 0.000 0.623 264 A CB -0.464 18.551 19.000 0.025 0.000 0.818 264 A HN 0.359 nan 8.150 nan 0.000 0.443 265 Q N -0.351 119.439 119.800 -0.016 0.000 2.079 265 Q HA -0.206 4.135 4.340 0.001 0.000 0.200 265 Q C 2.175 178.156 176.000 -0.032 0.000 0.974 265 Q CA 1.899 57.692 55.803 -0.017 0.000 0.840 265 Q CB -0.154 28.568 28.738 -0.026 0.000 0.898 265 Q HN 0.690 nan 8.270 nan 0.000 0.430 266 K N 0.091 120.452 120.400 -0.064 0.000 2.057 266 K HA -0.159 4.161 4.320 0.001 0.000 0.207 266 K C 2.191 178.717 176.600 -0.124 0.000 1.049 266 K CA 1.680 57.905 56.287 -0.103 0.000 0.931 266 K CB -0.184 32.231 32.500 -0.142 0.000 0.714 266 K HN 0.286 nan 8.250 nan 0.000 0.440 267 S N 0.509 116.158 115.700 -0.085 0.000 2.382 267 S HA -0.151 4.319 4.470 0.001 0.000 0.228 267 S C 1.991 176.653 174.600 0.103 0.000 1.027 267 S CA 0.841 59.014 58.200 -0.043 0.000 0.991 267 S CB -0.361 62.892 63.200 0.088 0.000 0.823 267 S HN 0.354 nan 8.310 nan 0.000 0.469 268 R N 0.811 121.356 120.500 0.074 0.000 2.075 268 R HA 0.173 4.513 4.340 0.001 0.000 0.232 268 R C 2.407 178.735 176.300 0.047 0.000 1.126 268 R CA 1.380 57.529 56.100 0.082 0.000 0.963 268 R CB -0.688 29.645 30.300 0.056 0.000 0.858 268 R HN 0.410 nan 8.270 nan 0.000 0.435 269 L N 0.708 121.937 121.223 0.008 0.000 2.191 269 L HA -0.156 4.184 4.340 0.001 0.000 0.212 269 L C 1.908 178.774 176.870 -0.007 0.000 1.103 269 L CA 1.007 55.837 54.840 -0.016 0.000 0.769 269 L CB -0.174 41.860 42.059 -0.041 0.000 0.908 269 L HN 0.201 nan 8.230 nan 0.000 0.438 270 L N -0.744 120.498 121.223 0.033 0.000 2.592 270 L HA 0.184 4.524 4.340 0.001 0.000 0.227 270 L C 1.266 178.260 176.870 0.206 0.000 1.127 270 L CA 0.464 55.375 54.840 0.119 0.000 0.884 270 L CB -0.081 42.025 42.059 0.077 0.000 1.065 270 L HN 0.429 nan 8.230 nan 0.000 0.457 271 G N -0.490 108.366 108.800 0.093 0.000 2.131 271 G HA2 -0.262 3.699 3.960 0.001 0.000 0.223 271 G HA3 -0.262 3.699 3.960 0.001 0.000 0.223 271 G C -0.146 174.588 174.900 -0.277 0.000 0.990 271 G CA -0.524 44.519 45.100 -0.094 0.000 0.671 271 G HN 0.157 nan 8.290 nan 0.000 0.521 272 F N 0.333 120.348 119.950 0.108 0.000 2.546 272 F HA 0.560 5.088 4.527 0.001 0.000 0.320 272 F C 1.610 177.499 175.800 0.148 0.000 1.076 272 F CA -0.643 57.448 58.000 0.151 0.000 0.928 272 F CB 1.047 40.121 39.000 0.124 0.000 1.189 272 F HN 0.151 nan 8.300 nan 0.000 0.465 273 H N -0.740 118.455 119.070 0.209 0.000 2.495 273 H HA 0.071 4.627 4.556 0.001 0.000 0.287 273 H C 0.267 175.683 175.328 0.148 0.000 1.033 273 H CA 1.154 57.283 56.048 0.135 0.000 1.307 273 H CB -0.584 29.234 29.762 0.093 0.000 1.401 273 H HN 0.485 nan 8.280 nan 0.000 0.555 274 T N -3.507 110.963 114.554 -0.141 0.000 2.864 274 T HA 0.184 4.535 4.350 0.001 0.000 0.299 274 T C 0.547 175.266 174.700 0.032 0.000 1.166 274 T CA -0.579 61.492 62.100 -0.048 0.000 1.007 274 T CB 2.129 70.926 68.868 -0.118 0.000 1.219 274 T HN 0.174 nan 8.240 nan 0.000 0.506 275 H N 1.565 120.640 119.070 0.010 0.000 2.353 275 H HA 0.163 4.720 4.556 0.001 0.000 0.300 275 H C 2.288 177.609 175.328 -0.012 0.000 1.090 275 H CA 2.680 58.741 56.048 0.022 0.000 1.327 275 H CB -0.588 29.215 29.762 0.069 0.000 1.383 275 H HN 0.806 nan 8.280 nan 0.000 0.508 276 A N 0.650 123.436 122.820 -0.057 0.000 1.892 276 A HA -0.222 4.099 4.320 0.001 0.000 0.218 276 A C 2.153 179.591 177.584 -0.243 0.000 1.188 276 A CA 1.997 53.941 52.037 -0.156 0.000 0.631 276 A CB -0.596 18.382 19.000 -0.036 0.000 0.822 276 A HN 0.583 nan 8.150 nan 0.000 0.447 277 D N -1.873 118.400 120.400 -0.212 0.000 2.178 277 D HA -0.158 4.482 4.640 0.001 0.000 0.201 277 D C 1.665 177.732 176.300 -0.389 0.000 0.980 277 D CA 1.654 55.546 54.000 -0.180 0.000 0.842 277 D CB -0.325 40.402 40.800 -0.122 0.000 0.948 277 D HN 0.665 nan 8.370 nan 0.000 0.472 278 Y N 1.819 121.668 120.300 -0.751 0.000 2.163 278 Y HA -0.196 4.354 4.550 0.001 0.000 0.288 278 Y C 2.215 177.623 175.900 -0.820 0.000 1.136 278 Y CA 1.084 58.379 58.100 -1.342 0.000 1.147 278 Y CB -0.483 37.445 38.460 -0.887 0.000 0.987 278 Y HN -0.242 nan 8.280 nan 0.000 0.509 279 V N 0.891 120.345 119.914 -0.768 0.000 2.295 279 V HA -0.316 3.805 4.120 0.001 0.000 0.246 279 V C 2.432 178.225 176.094 -0.501 0.000 1.049 279 V CA 2.133 64.026 62.300 -0.680 0.000 1.024 279 V CB -0.778 30.731 31.823 -0.523 0.000 0.648 279 V HN 0.465 nan 8.190 nan 0.000 0.447 280 L N 0.052 121.040 121.223 -0.392 0.000 2.362 280 L HA -0.135 4.206 4.340 0.001 0.000 0.219 280 L C 2.454 179.171 176.870 -0.255 0.000 1.134 280 L CA 1.253 55.921 54.840 -0.286 0.000 0.807 280 L CB -0.635 41.269 42.059 -0.258 0.000 0.927 280 L HN 0.473 nan 8.230 nan 0.000 0.447 281 E N 0.757 120.778 120.200 -0.299 0.000 2.171 281 E HA -0.254 4.096 4.350 0.001 0.000 0.197 281 E C 1.875 178.377 176.600 -0.165 0.000 0.997 281 E CA 1.282 57.574 56.400 -0.180 0.000 0.810 281 E CB 0.147 29.745 29.700 -0.169 0.000 0.738 281 E HN 0.372 nan 8.360 nan 0.000 0.467 282 M N 0.805 120.269 119.600 -0.226 0.000 2.495 282 M HA 0.181 4.662 4.480 0.001 0.000 0.237 282 M C 0.055 176.274 176.300 -0.136 0.000 1.131 282 M CA 0.262 55.462 55.300 -0.167 0.000 1.032 282 M CB -0.530 31.953 32.600 -0.195 0.000 1.513 282 M HN 0.021 nan 8.290 nan 0.000 0.488 283 N N -0.149 118.457 118.700 -0.157 0.000 2.485 283 N HA 0.280 5.021 4.740 0.001 0.000 0.280 283 N C 0.819 176.246 175.510 -0.140 0.000 1.205 283 N CA -0.374 52.589 53.050 -0.146 0.000 0.959 283 N CB 1.984 40.367 38.487 -0.174 0.000 1.206 283 N HN 0.045 nan 8.380 nan 0.000 0.545 284 M N 1.058 120.582 119.600 -0.126 0.000 2.159 284 M HA -0.151 4.330 4.480 0.001 0.000 0.263 284 M C 1.838 178.070 176.300 -0.113 0.000 1.063 284 M CA 1.703 56.978 55.300 -0.042 0.000 1.110 284 M CB -0.095 32.603 32.600 0.162 0.000 1.374 284 M HN 0.756 nan 8.290 nan 0.000 0.411 285 A N 0.147 122.673 122.820 -0.491 0.000 2.019 285 A HA -0.195 4.125 4.320 0.001 0.000 0.219 285 A C 1.576 179.011 177.584 -0.248 0.000 1.164 285 A CA 1.869 53.534 52.037 -0.620 0.000 0.644 285 A CB -0.207 18.109 19.000 -1.140 0.000 0.805 285 A HN 0.632 nan 8.150 nan 0.000 0.449 286 K N -2.105 118.172 120.400 -0.204 0.000 6.035 286 K HA -0.204 4.117 4.320 0.001 0.000 0.451 286 K C 0.638 177.179 176.600 -0.098 0.000 0.399 286 K CA 2.370 58.589 56.287 -0.114 0.000 1.899 286 K CB -2.444 30.032 32.500 -0.040 0.000 0.814 286 K HN 0.947 nan 8.250 nan 0.000 0.694 287 T N -3.190 111.304 114.554 -0.101 0.000 2.896 287 T HA 0.515 4.866 4.350 0.001 0.000 0.297 287 T C 1.082 175.722 174.700 -0.100 0.000 1.108 287 T CA 0.160 62.227 62.100 -0.055 0.000 1.004 287 T CB 2.110 70.997 68.868 0.031 0.000 1.159 287 T HN 0.116 nan 8.240 nan 0.000 0.499 288 S N 0.968 116.628 115.700 -0.066 0.000 2.399 288 S HA -0.203 4.268 4.470 0.001 0.000 0.231 288 S C 1.767 176.358 174.600 -0.015 0.000 1.022 288 S CA 1.061 59.219 58.200 -0.070 0.000 0.983 288 S CB -0.730 62.451 63.200 -0.032 0.000 0.803 288 S HN 0.703 nan 8.310 nan 0.000 0.480 289 Q N 1.528 121.350 119.800 0.036 0.000 2.050 289 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 289 Q C 2.490 178.535 176.000 0.075 0.000 0.980 289 Q CA 2.244 58.087 55.803 0.066 0.000 0.840 289 Q CB -1.473 27.314 28.738 0.082 0.000 0.898 289 Q HN 0.659 nan 8.270 nan 0.000 0.424 290 T N 0.101 114.692 114.554 0.061 0.000 2.684 290 T HA -0.129 4.221 4.350 0.001 0.000 0.267 290 T C 1.906 176.703 174.700 0.162 0.000 1.036 290 T CA 1.446 63.620 62.100 0.123 0.000 1.148 290 T CB -0.397 68.528 68.868 0.096 0.000 0.863 290 T HN 0.047 nan 8.240 nan 0.000 0.436 291 V N 1.659 121.557 119.914 -0.027 0.000 2.343 291 V HA -0.165 3.955 4.120 0.001 0.000 0.247 291 V C 2.890 179.075 176.094 0.152 0.000 1.051 291 V CA 1.664 63.919 62.300 -0.075 0.000 1.036 291 V CB -1.254 30.268 31.823 -0.501 0.000 0.654 291 V HN 0.536 nan 8.190 nan 0.000 0.451 292 A N -0.129 122.751 122.820 0.101 0.000 1.883 292 A HA -0.255 4.066 4.320 0.001 0.000 0.217 292 A C 2.407 180.087 177.584 0.160 0.000 1.186 292 A CA 2.670 54.783 52.037 0.127 0.000 0.624 292 A CB -1.098 17.957 19.000 0.092 0.000 0.822 292 A HN 0.503 nan 8.150 nan 0.000 0.444 293 T N -0.831 113.826 114.554 0.171 0.000 2.746 293 T HA -0.135 4.215 4.350 0.001 0.000 0.267 293 T C 1.594 176.418 174.700 0.208 0.000 1.039 293 T CA 1.537 63.736 62.100 0.166 0.000 1.142 293 T CB -0.411 68.556 68.868 0.166 0.000 0.866 293 T HN 0.490 nan 8.240 nan 0.000 0.444 294 F N 1.804 121.847 119.950 0.155 0.000 2.069 294 F HA -0.061 4.467 4.527 0.001 0.000 0.298 294 F C 1.907 177.783 175.800 0.126 0.000 1.113 294 F CA 1.284 59.387 58.000 0.172 0.000 1.214 294 F CB -0.463 38.737 39.000 0.334 0.000 0.978 294 F HN 0.040 nan 8.300 nan 0.000 0.474 295 L N -0.128 121.240 121.223 0.243 0.000 2.056 295 L HA -0.196 4.145 4.340 0.001 0.000 0.207 295 L C 2.162 179.040 176.870 0.014 0.000 1.078 295 L CA 1.324 56.231 54.840 0.112 0.000 0.749 295 L CB -0.883 41.325 42.059 0.248 0.000 0.901 295 L HN 0.103 nan 8.230 nan 0.000 0.433 296 D N 0.185 120.614 120.400 0.048 0.000 2.097 296 D HA -0.169 4.471 4.640 0.001 0.000 0.195 296 D C 2.154 178.447 176.300 -0.010 0.000 0.989 296 D CA 1.188 55.205 54.000 0.028 0.000 0.827 296 D CB -0.077 40.752 40.800 0.049 0.000 0.966 296 D HN 0.369 nan 8.370 nan 0.000 0.456 297 E N -0.012 120.171 120.200 -0.029 0.000 2.077 297 E HA -0.151 4.200 4.350 0.001 0.000 0.193 297 E C 2.079 178.622 176.600 -0.095 0.000 0.989 297 E CA 0.314 56.686 56.400 -0.047 0.000 0.800 297 E CB -0.076 29.602 29.700 -0.037 0.000 0.746 297 E HN 0.105 nan 8.360 nan 0.000 0.452 298 L N 1.068 122.172 121.223 -0.199 0.000 2.046 298 L HA -0.120 4.220 4.340 0.001 0.000 0.208 298 L C 2.242 179.068 176.870 -0.075 0.000 1.077 298 L CA 1.894 56.613 54.840 -0.202 0.000 0.747 298 L CB -0.615 41.200 42.059 -0.408 0.000 0.896 298 L HN 0.035 nan 8.230 nan 0.000 0.432 299 A N -1.221 121.567 122.820 -0.054 0.000 1.902 299 A HA -0.262 4.059 4.320 0.001 0.000 0.217 299 A C 2.166 179.744 177.584 -0.009 0.000 1.181 299 A CA 1.823 53.852 52.037 -0.014 0.000 0.623 299 A CB -0.559 18.441 19.000 -0.001 0.000 0.818 299 A HN 0.640 nan 8.150 nan 0.000 0.443 300 Q N -0.641 119.152 119.800 -0.012 0.000 2.050 300 Q HA -0.210 4.130 4.340 0.001 0.000 0.202 300 Q C 2.084 178.081 176.000 -0.005 0.000 0.980 300 Q CA 1.815 57.614 55.803 -0.006 0.000 0.840 300 Q CB -0.203 28.533 28.738 -0.003 0.000 0.898 300 Q HN 0.497 nan 8.270 nan 0.000 0.424 301 K N 0.607 121.002 120.400 -0.008 0.000 2.148 301 K HA -0.064 4.257 4.320 0.001 0.000 0.204 301 K C 1.728 178.331 176.600 0.005 0.000 1.050 301 K CA 0.930 57.216 56.287 -0.000 0.000 0.942 301 K CB 0.014 32.517 32.500 0.004 0.000 0.724 301 K HN 0.137 nan 8.250 nan 0.000 0.446 302 L N 0.217 121.446 121.223 0.011 0.000 2.492 302 L HA 0.037 4.377 4.340 0.001 0.000 0.223 302 L C 2.128 179.002 176.870 0.007 0.000 1.132 302 L CA 0.309 55.159 54.840 0.017 0.000 0.850 302 L CB -0.185 41.899 42.059 0.042 0.000 0.966 302 L HN 0.141 nan 8.230 nan 0.000 0.454 303 K N 1.312 121.712 120.400 0.002 0.000 2.034 303 K HA -0.196 4.125 4.320 0.001 0.000 0.214 303 K C -0.469 176.128 176.600 -0.005 0.000 1.051 303 K CA 1.987 58.272 56.287 -0.003 0.000 0.931 303 K CB -0.831 31.666 32.500 -0.005 0.000 0.715 303 K HN 0.177 nan 8.250 nan 0.000 0.446 304 P HA -0.184 nan 4.420 nan 0.000 0.218 304 P C 1.486 178.781 177.300 -0.009 0.000 1.148 304 P CA 1.040 64.135 63.100 -0.008 0.000 0.822 304 P CB -0.011 31.683 31.700 -0.010 0.000 0.784 305 L N 0.308 121.527 121.223 -0.008 0.000 2.109 305 L HA 0.104 4.444 4.340 0.001 0.000 0.207 305 L C 2.525 179.396 176.870 0.001 0.000 1.086 305 L CA 2.080 56.916 54.840 -0.007 0.000 0.760 305 L CB -1.618 40.433 42.059 -0.013 0.000 0.910 305 L HN -0.060 nan 8.230 nan 0.000 0.437 306 G N -1.125 107.676 108.800 0.002 0.000 2.418 306 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 306 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 306 G C 1.437 176.335 174.900 -0.003 0.000 1.158 306 G CA 0.730 45.832 45.100 0.003 0.000 0.771 306 G HN 0.502 nan 8.290 nan 0.000 0.545 307 E N 0.182 120.377 120.200 -0.007 0.000 2.085 307 E HA -0.170 4.181 4.350 0.001 0.000 0.194 307 E C 2.684 179.279 176.600 -0.009 0.000 0.994 307 E CA 1.131 57.525 56.400 -0.011 0.000 0.801 307 E CB -0.121 29.572 29.700 -0.012 0.000 0.743 307 E HN 0.547 nan 8.360 nan 0.000 0.453 308 Q N 0.575 120.371 119.800 -0.007 0.000 2.050 308 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 308 Q C 2.045 178.045 176.000 -0.000 0.000 0.980 308 Q CA 1.305 57.105 55.803 -0.006 0.000 0.840 308 Q CB -0.049 28.686 28.738 -0.005 0.000 0.898 308 Q HN 0.324 nan 8.270 nan 0.000 0.424 309 E N 0.407 120.612 120.200 0.008 0.000 2.106 309 E HA -0.145 4.205 4.350 0.001 0.000 0.192 309 E C 2.049 178.655 176.600 0.010 0.000 0.984 309 E CA 0.602 57.014 56.400 0.019 0.000 0.806 309 E CB 0.003 29.721 29.700 0.031 0.000 0.750 309 E HN 0.244 nan 8.360 nan 0.000 0.458 310 R N 0.381 120.880 120.500 -0.001 0.000 2.115 310 R HA -0.011 4.330 4.340 0.001 0.000 0.226 310 R C 2.345 178.633 176.300 -0.020 0.000 1.100 310 R CA 0.892 56.984 56.100 -0.013 0.000 0.980 310 R CB -0.175 30.112 30.300 -0.021 0.000 0.875 310 R HN 0.083 nan 8.270 nan 0.000 0.445 311 A N 0.708 123.518 122.820 -0.016 0.000 1.933 311 A HA -0.099 4.221 4.320 0.001 0.000 0.218 311 A C 2.299 179.868 177.584 -0.025 0.000 1.175 311 A CA 1.202 53.228 52.037 -0.018 0.000 0.628 311 A CB -0.395 18.596 19.000 -0.016 0.000 0.814 311 A HN 0.099 nan 8.150 nan 0.000 0.444 312 V N 0.054 119.957 119.914 -0.019 0.000 2.358 312 V HA -0.229 3.892 4.120 0.001 0.000 0.246 312 V C 2.393 178.466 176.094 -0.036 0.000 1.047 312 V CA 1.910 64.197 62.300 -0.022 0.000 1.035 312 V CB -0.555 31.267 31.823 -0.002 0.000 0.658 312 V HN 0.570 nan 8.190 nan 0.000 0.452 313 I N -0.676 119.875 120.570 -0.032 0.000 2.252 313 I HA -0.216 3.955 4.170 0.001 0.000 0.245 313 I C 2.348 178.354 176.117 -0.184 0.000 1.102 313 I CA 1.165 62.422 61.300 -0.071 0.000 1.385 313 I CB -0.269 37.723 38.000 -0.014 0.000 1.064 313 I HN 0.300 nan 8.210 nan 0.000 0.414 314 L N 1.152 122.313 121.223 -0.103 0.000 2.083 314 L HA -0.222 4.119 4.340 0.001 0.000 0.209 314 L C 2.383 179.204 176.870 -0.082 0.000 1.083 314 L CA 1.939 56.744 54.840 -0.058 0.000 0.752 314 L CB -0.622 41.446 42.059 0.016 0.000 0.899 314 L HN 0.190 nan 8.230 nan 0.000 0.433 315 E N -0.479 119.663 120.200 -0.097 0.000 2.072 315 E HA -0.188 4.163 4.350 0.001 0.000 0.191 315 E C 2.117 178.611 176.600 -0.177 0.000 0.985 315 E CA 1.534 57.858 56.400 -0.126 0.000 0.801 315 E CB -0.429 29.221 29.700 -0.083 0.000 0.750 315 E HN 0.555 nan 8.360 nan 0.000 0.452 316 L N 0.343 121.463 121.223 -0.171 0.000 2.083 316 L HA -0.136 4.204 4.340 0.001 0.000 0.209 316 L C 2.707 179.424 176.870 -0.256 0.000 1.083 316 L CA 1.609 56.365 54.840 -0.140 0.000 0.752 316 L CB -0.459 41.583 42.059 -0.029 0.000 0.899 316 L HN 0.163 nan 8.230 nan 0.000 0.433 317 K N 0.358 120.414 120.400 -0.572 0.000 2.057 317 K HA -0.206 4.114 4.320 0.001 0.000 0.206 317 K C 2.373 178.777 176.600 -0.327 0.000 1.050 317 K CA 1.068 57.023 56.287 -0.553 0.000 0.935 317 K CB -0.007 32.186 32.500 -0.512 0.000 0.715 317 K HN 0.104 nan 8.250 nan 0.000 0.439 318 R N 0.300 120.436 120.500 -0.606 0.000 2.073 318 R HA -0.134 4.206 4.340 0.001 0.000 0.234 318 R C 2.139 178.115 176.300 -0.540 0.000 1.134 318 R CA 1.533 56.929 56.100 -1.174 0.000 0.952 318 R CB -0.380 29.281 30.300 -1.065 0.000 0.850 318 R HN 0.277 nan 8.270 nan 0.000 0.433 319 A N 0.837 123.471 122.820 -0.309 0.000 1.902 319 A HA -0.227 4.093 4.320 0.001 0.000 0.217 319 A C 2.012 179.545 177.584 -0.085 0.000 1.181 319 A CA 1.769 53.708 52.037 -0.163 0.000 0.623 319 A CB -0.530 18.408 19.000 -0.104 0.000 0.818 319 A HN 0.622 nan 8.150 nan 0.000 0.443 320 E N -0.841 119.347 120.200 -0.019 0.000 2.106 320 E HA -0.163 4.188 4.350 0.001 0.000 0.192 320 E C 1.887 178.520 176.600 0.055 0.000 0.984 320 E CA 1.393 57.843 56.400 0.083 0.000 0.806 320 E CB -0.313 29.558 29.700 0.285 0.000 0.750 320 E HN 0.579 nan 8.360 nan 0.000 0.458 321 C N 0.989 120.304 119.300 0.024 0.000 2.425 321 C HA -0.082 4.379 4.460 0.001 0.000 0.277 321 C C 2.570 177.561 174.990 0.002 0.000 1.280 321 C CA 1.098 60.144 59.018 0.046 0.000 1.744 321 C CB -0.864 26.930 27.740 0.088 0.000 1.989 321 C HN 0.611 nan 8.230 nan 0.000 0.491 322 E N 0.656 120.819 120.200 -0.061 0.000 2.072 322 E HA -0.217 4.133 4.350 0.001 0.000 0.191 322 E C 2.434 179.018 176.600 -0.028 0.000 0.985 322 E CA 0.842 57.212 56.400 -0.052 0.000 0.801 322 E CB -0.212 29.433 29.700 -0.091 0.000 0.750 322 E HN 0.546 nan 8.360 nan 0.000 0.452 323 R N 0.226 120.711 120.500 -0.026 0.000 2.075 323 R HA -0.055 4.285 4.340 0.001 0.000 0.232 323 R C 1.999 178.290 176.300 -0.016 0.000 1.126 323 R CA 1.347 57.436 56.100 -0.019 0.000 0.963 323 R CB 0.068 30.359 30.300 -0.015 0.000 0.858 323 R HN 0.059 nan 8.270 nan 0.000 0.435 324 R N -1.019 119.477 120.500 -0.007 0.000 2.317 324 R HA 0.129 4.470 4.340 0.001 0.000 0.208 324 R C 0.668 176.971 176.300 0.005 0.000 0.914 324 R CA 0.530 56.622 56.100 -0.013 0.000 1.060 324 R CB 0.726 31.017 30.300 -0.016 0.000 1.015 324 R HN 0.461 nan 8.270 nan 0.000 0.498 325 G N 1.667 110.474 108.800 0.012 0.000 2.176 325 G HA2 -0.274 3.686 3.960 0.001 0.000 0.252 325 G HA3 -0.274 3.686 3.960 0.001 0.000 0.252 325 G C -0.004 174.920 174.900 0.040 0.000 1.024 325 G CA 0.020 45.133 45.100 0.021 0.000 0.755 325 G HN 0.155 nan 8.290 nan 0.000 0.507 326 L N 0.890 122.147 121.223 0.056 0.000 2.399 326 L HA 0.558 4.899 4.340 0.001 0.000 0.265 326 L C -1.217 175.718 176.870 0.109 0.000 1.089 326 L CA -2.305 52.583 54.840 0.081 0.000 0.802 326 L CB 0.954 43.073 42.059 0.100 0.000 1.180 326 L HN -0.013 nan 8.230 nan 0.000 0.454 327 P HA 0.095 nan 4.420 nan 0.000 0.275 327 P C -1.235 176.194 177.300 0.214 0.000 1.228 327 P CA -0.132 63.048 63.100 0.134 0.000 0.786 327 P CB 0.822 32.579 31.700 0.094 0.000 0.927 328 F N 3.468 123.436 119.950 0.030 0.000 2.403 328 F HA 0.214 4.741 4.527 0.001 0.000 0.355 328 F C 0.663 176.471 175.800 0.014 0.000 1.119 328 F CA -1.221 56.791 58.000 0.020 0.000 1.007 328 F CB 0.944 39.947 39.000 0.004 0.000 1.194 328 F HN 0.193 nan 8.300 nan 0.000 0.443 329 D N 2.767 122.906 120.400 -0.436 0.000 2.340 329 D HA 0.131 4.771 4.640 0.001 0.000 0.220 329 D C 1.589 177.479 176.300 -0.685 0.000 1.039 329 D CA 0.613 54.364 54.000 -0.416 0.000 0.866 329 D CB -0.255 40.431 40.800 -0.190 0.000 0.913 329 D HN 0.895 nan 8.370 nan 0.000 0.523 330 G N 0.329 108.198 108.800 -1.551 0.000 2.179 330 G HA2 -0.325 3.635 3.960 0.001 0.000 0.257 330 G HA3 -0.325 3.635 3.960 0.001 0.000 0.257 330 G C 0.080 174.679 174.900 -0.502 0.000 1.010 330 G CA 0.214 44.611 45.100 -1.171 0.000 0.736 330 G HN 0.505 nan 8.290 nan 0.000 0.513 331 R N -1.090 119.153 120.500 -0.429 0.000 2.698 331 R HA 0.551 4.891 4.340 0.001 0.000 0.275 331 R C -0.190 175.984 176.300 -0.210 0.000 1.001 331 R CA -1.089 54.867 56.100 -0.240 0.000 0.896 331 R CB 1.571 31.746 30.300 -0.207 0.000 1.218 331 R HN 0.170 nan 8.270 nan 0.000 0.462 332 I N 3.578 124.044 120.570 -0.173 0.000 2.396 332 I HA 0.230 4.401 4.170 0.001 0.000 0.289 332 I C 0.466 176.412 176.117 -0.285 0.000 1.056 332 I CA -0.314 60.878 61.300 -0.180 0.000 1.365 332 I CB 0.378 38.307 38.000 -0.118 0.000 1.407 332 I HN 0.216 nan 8.210 nan 0.000 0.509 333 R N 4.302 124.521 120.500 -0.468 0.000 2.674 333 R HA 0.493 4.834 4.340 0.001 0.000 0.266 333 R C 0.897 176.816 176.300 -0.634 0.000 1.016 333 R CA -0.550 55.066 56.100 -0.807 0.000 1.062 333 R CB 1.081 30.300 30.300 -1.803 0.000 1.142 333 R HN 0.718 nan 8.270 nan 0.000 0.517 334 A N 1.269 123.804 122.820 -0.476 0.000 1.948 334 A HA -0.189 4.131 4.320 0.001 0.000 0.220 334 A C 1.449 179.007 177.584 -0.043 0.000 1.177 334 A CA 1.861 53.817 52.037 -0.134 0.000 0.636 334 A CB -0.712 18.327 19.000 0.065 0.000 0.815 334 A HN 0.864 nan 8.150 nan 0.000 0.449 335 W N -0.826 120.487 121.300 0.022 0.000 3.292 335 W HA 0.304 4.964 4.660 0.001 0.000 0.263 335 W C 0.188 176.707 176.519 -0.001 0.000 1.318 335 W CA 0.360 57.697 57.345 -0.013 0.000 1.663 335 W CB -0.100 29.348 29.460 -0.020 0.000 1.114 335 W HN 0.137 nan 8.180 nan 0.000 0.706 336 D N 0.213 120.539 120.400 -0.124 0.000 2.380 336 D HA -0.056 4.584 4.640 0.001 0.000 0.212 336 D C 2.258 178.673 176.300 0.192 0.000 1.021 336 D CA 0.592 54.652 54.000 0.100 0.000 0.884 336 D CB -0.173 40.673 40.800 0.077 0.000 1.001 336 D HN 0.011 nan 8.370 nan 0.000 0.506 337 M N 0.902 120.540 119.600 0.063 0.000 2.255 337 M HA -0.178 4.302 4.480 0.001 0.000 0.260 337 M C 2.159 178.500 176.300 0.069 0.000 1.069 337 M CA 1.680 57.020 55.300 0.066 0.000 1.089 337 M CB -1.094 31.514 32.600 0.013 0.000 1.269 337 M HN -0.001 nan 8.290 nan 0.000 0.434 338 R N -1.484 119.022 120.500 0.010 0.000 2.105 338 R HA -0.212 4.128 4.340 0.001 0.000 0.239 338 R C 2.208 178.498 176.300 -0.018 0.000 1.135 338 R CA 1.686 57.772 56.100 -0.023 0.000 0.967 338 R CB -0.675 29.550 30.300 -0.126 0.000 0.861 338 R HN 0.392 nan 8.270 nan 0.000 0.442 339 Y N 0.216 120.425 120.300 -0.152 0.000 2.089 339 Y HA -0.273 4.278 4.550 0.001 0.000 0.282 339 Y C 1.766 177.485 175.900 -0.300 0.000 1.139 339 Y CA 1.554 59.494 58.100 -0.268 0.000 1.123 339 Y CB -0.398 37.830 38.460 -0.386 0.000 0.980 339 Y HN -0.030 nan 8.280 nan 0.000 0.493 340 Y N -0.790 119.527 120.300 0.028 0.000 2.439 340 Y HA -0.149 4.402 4.550 0.001 0.000 0.292 340 Y C 2.447 178.312 175.900 -0.060 0.000 1.130 340 Y CA 1.130 59.199 58.100 -0.052 0.000 1.254 340 Y CB -0.477 38.015 38.460 0.053 0.000 1.000 340 Y HN 0.178 nan 8.280 nan 0.000 0.554 341 M N -0.623 119.022 119.600 0.075 0.000 2.175 341 M HA -0.199 4.281 4.480 0.001 0.000 0.264 341 M C 1.939 178.233 176.300 -0.009 0.000 1.063 341 M CA 1.688 57.017 55.300 0.049 0.000 1.119 341 M CB -0.371 32.260 32.600 0.051 0.000 1.377 341 M HN 0.231 nan 8.290 nan 0.000 0.415 342 N N 0.357 119.010 118.700 -0.079 0.000 2.188 342 N HA -0.196 4.545 4.740 0.001 0.000 0.184 342 N C 1.680 177.115 175.510 -0.126 0.000 1.018 342 N CA 1.341 54.325 53.050 -0.111 0.000 0.858 342 N CB -0.026 38.361 38.487 -0.166 0.000 0.989 342 N HN 0.323 nan 8.380 nan 0.000 0.426 343 Q N -0.442 119.243 119.800 -0.192 0.000 2.119 343 Q HA -0.070 4.271 4.340 0.001 0.000 0.201 343 Q C 1.796 177.790 176.000 -0.011 0.000 0.972 343 Q CA 1.190 56.906 55.803 -0.144 0.000 0.847 343 Q CB 0.080 28.716 28.738 -0.170 0.000 0.903 343 Q HN 0.241 nan 8.270 nan 0.000 0.433 344 V N 1.093 121.034 119.914 0.044 0.000 2.287 344 V HA -0.296 3.825 4.120 0.001 0.000 0.248 344 V C 2.230 178.436 176.094 0.186 0.000 1.053 344 V CA 2.319 64.686 62.300 0.112 0.000 1.027 344 V CB -0.661 31.246 31.823 0.140 0.000 0.646 344 V HN 0.510 nan 8.190 nan 0.000 0.447 345 E N 0.027 120.301 120.200 0.123 0.000 2.058 345 E HA -0.264 4.087 4.350 0.001 0.000 0.194 345 E C 2.147 178.822 176.600 0.125 0.000 0.997 345 E CA 1.796 58.269 56.400 0.121 0.000 0.801 345 E CB -0.084 29.611 29.700 -0.008 0.000 0.746 345 E HN 0.737 nan 8.360 nan 0.000 0.450 346 E N -0.594 119.635 120.200 0.049 0.000 2.112 346 E HA -0.111 4.240 4.350 0.001 0.000 0.190 346 E C 2.176 178.794 176.600 0.029 0.000 0.979 346 E CA 1.605 58.021 56.400 0.027 0.000 0.814 346 E CB 0.035 29.725 29.700 -0.018 0.000 0.762 346 E HN 0.423 nan 8.360 nan 0.000 0.460 347 T N -1.495 113.072 114.554 0.022 0.000 3.037 347 T HA 0.134 4.484 4.350 0.001 0.000 0.252 347 T C 1.776 176.464 174.700 -0.020 0.000 1.073 347 T CA -0.172 61.928 62.100 0.001 0.000 1.091 347 T CB 0.278 69.141 68.868 -0.007 0.000 0.935 347 T HN -0.086 nan 8.240 nan 0.000 0.488 348 R N -0.469 120.025 120.500 -0.008 0.000 2.206 348 R HA 0.260 4.601 4.340 0.001 0.000 0.198 348 R C 1.066 177.149 176.300 -0.361 0.000 0.986 348 R CA 0.626 56.627 56.100 -0.166 0.000 1.029 348 R CB -0.257 29.944 30.300 -0.165 0.000 0.966 348 R HN 0.486 nan 8.270 nan 0.000 0.487 349 Y N -0.307 119.980 120.300 -0.021 0.000 2.483 349 Y HA 0.150 4.700 4.550 0.001 0.000 0.258 349 Y C 0.682 176.573 175.900 -0.015 0.000 1.083 349 Y CA -0.728 57.360 58.100 -0.020 0.000 1.283 349 Y CB 0.111 38.558 38.460 -0.022 0.000 1.178 349 Y HN -0.056 nan 8.280 nan 0.000 0.515 350 C N 1.850 121.213 119.300 0.105 0.000 2.749 350 C HA -0.118 4.343 4.460 0.001 0.000 0.241 350 C C 0.198 175.225 174.990 0.061 0.000 1.269 350 C CA -1.049 58.004 59.018 0.058 0.000 2.527 350 C CB -3.179 24.573 27.740 0.020 0.000 1.569 350 C HN 0.101 nan 8.230 nan 0.000 0.405 351 V N 2.591 122.544 119.914 0.066 0.000 2.347 351 V HA 0.286 4.407 4.120 0.001 0.000 0.280 351 V C 0.520 176.640 176.094 0.043 0.000 1.021 351 V CA 0.068 62.398 62.300 0.049 0.000 0.847 351 V CB 1.671 33.517 31.823 0.037 0.000 0.990 351 V HN 0.648 nan 8.190 nan 0.000 0.444 352 D N 4.462 124.892 120.400 0.050 0.000 2.498 352 D HA 0.049 4.689 4.640 0.001 0.000 0.229 352 D C 1.289 177.632 176.300 0.073 0.000 1.188 352 D CA 0.078 54.114 54.000 0.061 0.000 1.028 352 D CB 0.867 41.710 40.800 0.073 0.000 1.087 352 D HN 0.471 nan 8.370 nan 0.000 0.510 353 Q N 2.003 121.836 119.800 0.056 0.000 2.135 353 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 353 Q C 1.382 177.429 176.000 0.078 0.000 0.981 353 Q CA 0.956 56.792 55.803 0.056 0.000 0.856 353 Q CB 0.001 28.759 28.738 0.035 0.000 0.902 353 Q HN 0.557 nan 8.270 nan 0.000 0.425 354 N N 0.605 119.348 118.700 0.072 0.000 2.149 354 N HA -0.150 4.590 4.740 0.001 0.000 0.188 354 N C 1.835 177.411 175.510 0.111 0.000 1.019 354 N CA 0.746 53.840 53.050 0.074 0.000 0.857 354 N CB -0.167 38.356 38.487 0.061 0.000 0.997 354 N HN 0.167 nan 8.380 nan 0.000 0.426 355 L N 0.694 122.003 121.223 0.143 0.000 2.095 355 L HA 0.058 4.398 4.340 0.001 0.000 0.204 355 L C 2.048 179.116 176.870 0.331 0.000 1.080 355 L CA 0.949 55.918 54.840 0.216 0.000 0.759 355 L CB -0.734 41.451 42.059 0.211 0.000 0.914 355 L HN -0.011 nan 8.230 nan 0.000 0.439 356 L N 0.046 121.441 121.223 0.287 0.000 2.012 356 L HA -0.235 4.105 4.340 0.001 0.000 0.210 356 L C 2.463 179.618 176.870 0.475 0.000 1.073 356 L CA 1.888 56.957 54.840 0.381 0.000 0.748 356 L CB -0.758 41.421 42.059 0.200 0.000 0.891 356 L HN 0.276 nan 8.230 nan 0.000 0.431 357 K N -0.331 120.230 120.400 0.270 0.000 2.089 357 K HA -0.251 4.070 4.320 0.001 0.000 0.210 357 K C 1.798 178.505 176.600 0.177 0.000 1.048 357 K CA 2.032 58.444 56.287 0.208 0.000 0.926 357 K CB -0.431 32.115 32.500 0.076 0.000 0.714 357 K HN 0.546 nan 8.250 nan 0.000 0.448 358 E N -0.097 120.155 120.200 0.085 0.000 2.267 358 E HA -0.188 4.162 4.350 0.001 0.000 0.197 358 E C 1.148 177.578 176.600 -0.282 0.000 0.998 358 E CA 1.083 57.404 56.400 -0.131 0.000 0.830 358 E CB -0.124 29.443 29.700 -0.222 0.000 0.751 358 E HN 0.495 nan 8.360 nan 0.000 0.491 359 Y N -1.262 119.046 120.300 0.014 0.000 2.466 359 Y HA 0.121 4.671 4.550 0.001 0.000 0.272 359 Y C 0.315 175.932 175.900 -0.471 0.000 1.169 359 Y CA 0.020 58.005 58.100 -0.191 0.000 1.285 359 Y CB 0.413 38.734 38.460 -0.232 0.000 1.078 359 Y HN -0.081 nan 8.280 nan 0.000 0.523 360 F N 0.593 120.601 119.950 0.096 0.000 2.597 360 F HA 0.402 4.929 4.527 0.001 0.000 0.336 360 F C -2.649 173.149 175.800 -0.003 0.000 1.432 360 F CA -2.962 55.066 58.000 0.047 0.000 1.120 360 F CB 0.358 39.375 39.000 0.028 0.000 1.253 360 F HN -0.168 nan 8.300 nan 0.000 0.546 361 P HA -0.011 nan 4.420 nan 0.000 0.271 361 P C 1.173 178.523 177.300 0.084 0.000 1.216 361 P CA 0.272 63.401 63.100 0.048 0.000 0.771 361 P CB 1.604 33.333 31.700 0.049 0.000 0.864 362 V N 3.451 123.413 119.914 0.080 0.000 2.324 362 V HA -0.364 3.757 4.120 0.001 0.000 0.250 362 V C 1.763 177.961 176.094 0.173 0.000 1.060 362 V CA 2.289 64.662 62.300 0.123 0.000 1.042 362 V CB -0.933 30.999 31.823 0.181 0.000 0.650 362 V HN 0.523 nan 8.190 nan 0.000 0.450 363 Q N -0.091 119.800 119.800 0.150 0.000 2.096 363 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 363 Q C 2.076 178.160 176.000 0.141 0.000 0.982 363 Q CA 2.402 58.295 55.803 0.149 0.000 0.850 363 Q CB -0.936 27.863 28.738 0.102 0.000 0.901 363 Q HN 0.583 nan 8.270 nan 0.000 0.422 364 V N -0.085 119.894 119.914 0.108 0.000 2.358 364 V HA -0.200 3.921 4.120 0.001 0.000 0.246 364 V C 2.135 178.301 176.094 0.121 0.000 1.047 364 V CA 1.344 63.704 62.300 0.101 0.000 1.035 364 V CB -0.532 31.318 31.823 0.045 0.000 0.658 364 V HN 0.201 nan 8.190 nan 0.000 0.452 365 V N -0.141 119.847 119.914 0.123 0.000 2.295 365 V HA -0.271 3.850 4.120 0.001 0.000 0.246 365 V C 2.592 178.689 176.094 0.004 0.000 1.049 365 V CA 2.628 64.990 62.300 0.103 0.000 1.024 365 V CB -1.077 30.833 31.823 0.144 0.000 0.648 365 V HN 0.588 nan 8.190 nan 0.000 0.447 366 T N -1.008 113.602 114.554 0.094 0.000 2.665 366 T HA -0.301 4.049 4.350 0.001 0.000 0.268 366 T C 1.887 176.577 174.700 -0.016 0.000 1.035 366 T CA 2.358 64.484 62.100 0.042 0.000 1.151 366 T CB -0.402 68.607 68.868 0.235 0.000 0.862 366 T HN 0.698 nan 8.240 nan 0.000 0.438 367 H N 0.544 119.616 119.070 0.003 0.000 2.321 367 H HA 0.018 4.575 4.556 0.001 0.000 0.300 367 H C 2.342 177.665 175.328 -0.009 0.000 1.087 367 H CA 1.899 57.953 56.048 0.009 0.000 1.319 367 H CB -0.727 29.056 29.762 0.035 0.000 1.379 367 H HN 0.329 nan 8.280 nan 0.000 0.501 368 G N 0.374 109.177 108.800 0.004 0.000 2.402 368 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 368 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 368 G C 1.820 176.683 174.900 -0.061 0.000 1.162 368 G CA 0.662 45.745 45.100 -0.029 0.000 0.777 368 G HN 0.478 nan 8.290 nan 0.000 0.539 369 L N 0.086 121.245 121.223 -0.107 0.000 2.017 369 L HA 0.023 4.364 4.340 0.001 0.000 0.208 369 L C 2.804 179.539 176.870 -0.225 0.000 1.073 369 L CA 1.129 55.871 54.840 -0.164 0.000 0.745 369 L CB -0.194 41.574 42.059 -0.485 0.000 0.894 369 L HN 0.182 nan 8.230 nan 0.000 0.432 370 L N -0.440 120.595 121.223 -0.314 0.000 2.083 370 L HA -0.153 4.187 4.340 0.001 0.000 0.209 370 L C 2.619 179.472 176.870 -0.028 0.000 1.083 370 L CA 1.212 55.956 54.840 -0.162 0.000 0.752 370 L CB -1.283 40.723 42.059 -0.089 0.000 0.899 370 L HN 0.450 nan 8.230 nan 0.000 0.433 371 G N 0.285 108.992 108.800 -0.155 0.000 2.418 371 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 371 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 371 G C 1.591 176.447 174.900 -0.073 0.000 1.158 371 G CA 0.583 45.588 45.100 -0.157 0.000 0.771 371 G HN 0.273 nan 8.290 nan 0.000 0.545 372 I N -0.872 119.677 120.570 -0.034 0.000 2.202 372 I HA -0.147 4.024 4.170 0.001 0.000 0.242 372 I C 2.427 178.482 176.117 -0.103 0.000 1.091 372 I CA 0.975 62.261 61.300 -0.025 0.000 1.368 372 I CB -0.254 37.769 38.000 0.039 0.000 1.058 372 I HN 0.126 nan 8.210 nan 0.000 0.410 373 Y N 0.970 121.207 120.300 -0.105 0.000 2.293 373 Y HA -0.233 4.317 4.550 0.001 0.000 0.291 373 Y C 2.745 178.625 175.900 -0.032 0.000 1.137 373 Y CA 1.273 59.348 58.100 -0.041 0.000 1.202 373 Y CB -0.264 38.261 38.460 0.109 0.000 0.990 373 Y HN 0.197 nan 8.280 nan 0.000 0.537 374 Q N -0.071 119.701 119.800 -0.047 0.000 2.020 374 Q HA -0.265 4.076 4.340 0.001 0.000 0.202 374 Q C 2.232 178.169 176.000 -0.104 0.000 0.982 374 Q CA 1.856 57.483 55.803 -0.292 0.000 0.838 374 Q CB -0.187 28.302 28.738 -0.414 0.000 0.899 374 Q HN 0.549 nan 8.270 nan 0.000 0.423 375 E N 0.297 120.467 120.200 -0.051 0.000 2.077 375 E HA -0.217 4.134 4.350 0.001 0.000 0.193 375 E C 1.983 178.619 176.600 0.060 0.000 0.989 375 E CA 0.687 57.092 56.400 0.008 0.000 0.800 375 E CB 0.012 29.728 29.700 0.026 0.000 0.746 375 E HN 0.152 nan 8.360 nan 0.000 0.452 376 L N 0.550 121.811 121.223 0.063 0.000 2.046 376 L HA -0.119 4.221 4.340 0.001 0.000 0.208 376 L C 1.952 178.922 176.870 0.167 0.000 1.077 376 L CA 1.612 56.527 54.840 0.125 0.000 0.747 376 L CB -0.107 41.948 42.059 -0.007 0.000 0.896 376 L HN 0.238 nan 8.230 nan 0.000 0.432 377 L N -1.406 119.900 121.223 0.139 0.000 2.640 377 L HA 0.347 4.687 4.340 0.001 0.000 0.230 377 L C 1.166 178.101 176.870 0.109 0.000 1.123 377 L CA 0.373 55.309 54.840 0.160 0.000 0.900 377 L CB -0.347 41.832 42.059 0.201 0.000 1.146 377 L HN 0.386 nan 8.230 nan 0.000 0.484 378 G N 1.436 110.277 108.800 0.068 0.000 2.272 378 G HA2 -0.249 3.711 3.960 0.001 0.000 0.280 378 G HA3 -0.249 3.711 3.960 0.001 0.000 0.280 378 G C -0.239 174.676 174.900 0.025 0.000 1.067 378 G CA 0.127 45.255 45.100 0.046 0.000 0.902 378 G HN 0.237 nan 8.290 nan 0.000 0.500 379 L N -0.981 120.219 121.223 -0.039 0.000 2.279 379 L HA 0.944 5.284 4.340 0.001 0.000 0.262 379 L C 0.365 177.083 176.870 -0.252 0.000 1.019 379 L CA -0.885 53.905 54.840 -0.083 0.000 0.823 379 L CB 2.298 44.333 42.059 -0.041 0.000 1.358 379 L HN 0.445 nan 8.230 nan 0.000 0.432 380 A N 0.894 123.610 122.820 -0.175 0.000 2.381 380 A HA 0.791 5.112 4.320 0.001 0.000 0.299 380 A C -1.442 176.110 177.584 -0.054 0.000 1.049 380 A CA -0.330 51.581 52.037 -0.209 0.000 0.715 380 A CB 0.754 19.753 19.000 -0.003 0.000 1.222 380 A HN 0.363 nan 8.150 nan 0.000 0.428 381 F N 1.281 121.246 119.950 0.025 0.000 2.408 381 F HA 0.519 5.046 4.527 0.001 0.000 0.344 381 F C 0.271 176.070 175.800 -0.002 0.000 1.112 381 F CA -0.474 57.619 58.000 0.156 0.000 1.096 381 F CB 1.231 40.386 39.000 0.258 0.000 1.129 381 F HN 0.540 nan 8.300 nan 0.000 0.486 382 H N 0.250 119.564 119.070 0.406 0.000 2.587 382 H HA 0.241 4.797 4.556 0.001 0.000 0.325 382 H C -0.598 174.814 175.328 0.140 0.000 1.012 382 H CA -0.777 55.418 56.048 0.245 0.000 1.213 382 H CB 0.727 30.563 29.762 0.124 0.000 1.431 382 H HN 0.511 nan 8.280 nan 0.000 0.492 383 H N 2.865 121.956 119.070 0.034 0.000 2.929 383 H HA 0.060 4.617 4.556 0.001 0.000 0.317 383 H C -0.277 174.915 175.328 -0.227 0.000 1.031 383 H CA -0.102 55.710 56.048 -0.393 0.000 1.466 383 H CB 0.663 30.226 29.762 -0.332 0.000 1.482 383 H HN 0.543 nan 8.280 nan 0.000 0.561 384 E N 5.228 125.086 120.200 -0.570 0.000 1.998 384 E HA 0.060 4.411 4.350 0.001 0.000 0.257 384 E C -0.184 176.002 176.600 -0.690 0.000 1.038 384 E CA -0.342 55.775 56.400 -0.473 0.000 0.869 384 E CB 0.069 29.597 29.700 -0.286 0.000 1.135 384 E HN 0.722 nan 8.360 nan 0.000 0.430 385 E N 0.266 120.014 120.200 -0.753 0.000 2.529 385 E HA 0.099 4.450 4.350 0.001 0.000 0.259 385 E C 1.084 177.532 176.600 -0.252 0.000 0.966 385 E CA 0.702 56.778 56.400 -0.539 0.000 0.937 385 E CB 0.359 29.885 29.700 -0.289 0.000 0.923 385 E HN 0.724 nan 8.360 nan 0.000 0.468 386 G N 2.198 110.907 108.800 -0.151 0.000 2.189 386 G HA2 -0.369 3.591 3.960 0.001 0.000 0.267 386 G HA3 -0.369 3.591 3.960 0.001 0.000 0.267 386 G C 0.487 175.349 174.900 -0.064 0.000 0.975 386 G CA 0.092 45.144 45.100 -0.079 0.000 0.644 386 G HN 0.839 nan 8.290 nan 0.000 0.537 387 A N 0.020 122.785 122.820 -0.091 0.000 2.547 387 A HA 0.556 4.876 4.320 0.001 0.000 0.233 387 A C 1.100 178.702 177.584 0.029 0.000 1.067 387 A CA 1.245 53.260 52.037 -0.036 0.000 0.763 387 A CB 0.303 19.262 19.000 -0.067 0.000 1.007 387 A HN 1.772 nan 8.150 nan 0.000 0.506 388 S N 0.328 116.087 115.700 0.098 0.000 2.531 388 S HA 0.529 4.999 4.470 0.001 0.000 0.279 388 S C 0.031 174.767 174.600 0.227 0.000 1.305 388 S CA 0.230 58.522 58.200 0.153 0.000 1.058 388 S CB -0.115 63.200 63.200 0.193 0.000 0.899 388 S HN 1.936 nan 8.310 nan 0.000 0.493 389 A N 4.130 126.998 122.820 0.079 0.000 2.594 389 A HA 0.584 4.905 4.320 0.001 0.000 0.291 389 A C -0.102 177.378 177.584 -0.173 0.000 1.105 389 A CA -0.750 51.166 52.037 -0.201 0.000 0.694 389 A CB 0.260 18.991 19.000 -0.447 0.000 1.291 389 A HN 1.196 nan 8.150 nan 0.000 0.410 390 W N -0.424 120.759 121.300 -0.194 0.000 2.825 390 W HA 0.374 5.035 4.660 0.001 0.000 0.243 390 W C 0.383 176.903 176.519 0.002 0.000 1.293 390 W CA 1.134 58.403 57.345 -0.127 0.000 1.403 390 W CB -0.278 28.987 29.460 -0.325 0.000 1.134 390 W HN 0.865 nan 8.180 nan 0.000 0.666 391 H N -0.253 118.609 119.070 -0.348 0.000 3.079 391 H HA 0.106 4.662 4.556 0.001 0.000 0.356 391 H C 1.199 176.414 175.328 -0.188 0.000 1.221 391 H CA -0.414 55.532 56.048 -0.170 0.000 1.185 391 H CB 1.342 31.051 29.762 -0.088 0.000 1.882 391 H HN 0.080 nan 8.280 nan 0.000 0.543 392 E N 1.588 121.407 120.200 -0.635 0.000 2.209 392 E HA -0.188 4.162 4.350 0.001 0.000 0.196 392 E C 0.091 176.606 176.600 -0.142 0.000 0.993 392 E CA 1.546 57.741 56.400 -0.341 0.000 0.819 392 E CB 0.139 29.641 29.700 -0.329 0.000 0.745 392 E HN 0.519 nan 8.360 nan 0.000 0.477 393 D N 1.042 121.455 120.400 0.022 0.000 2.349 393 D HA 0.051 4.691 4.640 0.001 0.000 0.224 393 D C 0.130 176.497 176.300 0.111 0.000 1.029 393 D CA 0.170 54.288 54.000 0.196 0.000 0.879 393 D CB 0.417 41.474 40.800 0.428 0.000 0.906 393 D HN 0.034 nan 8.370 nan 0.000 0.528 394 V N 2.045 121.942 119.914 -0.029 0.000 2.614 394 V HA 0.169 4.290 4.120 0.001 0.000 0.291 394 V C 0.647 176.705 176.094 -0.060 0.000 1.049 394 V CA -0.220 61.992 62.300 -0.147 0.000 1.038 394 V CB 1.281 32.740 31.823 -0.608 0.000 0.980 394 V HN -0.052 nan 8.190 nan 0.000 0.481 395 R N 3.461 123.984 120.500 0.038 0.000 2.534 395 R HA 0.577 4.918 4.340 0.001 0.000 0.301 395 R C -1.152 175.166 176.300 0.031 0.000 0.961 395 R CA -0.894 55.230 56.100 0.040 0.000 0.871 395 R CB 1.999 32.324 30.300 0.041 0.000 1.170 395 R HN 0.547 nan 8.270 nan 0.000 0.446 396 L N 3.110 124.241 121.223 -0.153 0.000 2.307 396 L HA 0.499 4.840 4.340 0.001 0.000 0.284 396 L C -1.465 175.103 176.870 -0.503 0.000 1.023 396 L CA -0.449 54.166 54.840 -0.376 0.000 0.810 396 L CB 0.819 42.622 42.059 -0.426 0.000 1.231 396 L HN 0.428 nan 8.230 nan 0.000 0.423 397 Y N 1.980 121.915 120.300 -0.608 0.000 2.462 397 Y HA 0.608 5.159 4.550 0.001 0.000 0.346 397 Y C 0.094 175.668 175.900 -0.543 0.000 0.976 397 Y CA -0.773 56.956 58.100 -0.619 0.000 1.044 397 Y CB 2.400 40.179 38.460 -1.135 0.000 1.230 397 Y HN 0.491 nan 8.280 nan 0.000 0.455 398 T N 2.493 117.032 114.554 -0.024 0.000 2.771 398 T HA 0.673 5.023 4.350 0.001 0.000 0.281 398 T C -0.398 174.488 174.700 0.310 0.000 0.982 398 T CA -0.681 61.461 62.100 0.070 0.000 0.978 398 T CB 0.751 69.648 68.868 0.048 0.000 0.930 398 T HN 0.715 nan 8.240 nan 0.000 0.447 399 A N 4.634 127.668 122.820 0.356 0.000 2.289 399 A HA 0.706 5.026 4.320 0.001 0.000 0.298 399 A C 0.228 178.025 177.584 0.354 0.000 1.208 399 A CA -0.603 51.774 52.037 0.566 0.000 0.845 399 A CB 0.412 19.790 19.000 0.631 0.000 1.125 399 A HN 0.820 nan 8.150 nan 0.000 0.517 400 R N 1.384 122.090 120.500 0.343 0.000 2.854 400 R HA 0.314 4.655 4.340 0.001 0.000 0.271 400 R C -0.944 175.457 176.300 0.169 0.000 0.996 400 R CA -0.936 55.291 56.100 0.212 0.000 0.961 400 R CB 1.658 32.060 30.300 0.170 0.000 1.182 400 R HN 0.855 nan 8.270 nan 0.000 0.479 401 D N 1.199 121.670 120.400 0.118 0.000 2.425 401 D HA 0.001 4.641 4.640 0.001 0.000 0.247 401 D C 0.685 177.036 176.300 0.084 0.000 1.147 401 D CA 0.213 54.267 54.000 0.090 0.000 0.879 401 D CB 1.523 42.366 40.800 0.072 0.000 1.179 401 D HN 0.644 nan 8.370 nan 0.000 0.456 402 A N 3.753 126.611 122.820 0.063 0.000 2.070 402 A HA -0.041 4.280 4.320 0.001 0.000 0.220 402 A C 1.855 179.471 177.584 0.053 0.000 1.159 402 A CA 1.892 53.960 52.037 0.052 0.000 0.656 402 A CB -0.121 18.893 19.000 0.023 0.000 0.800 402 A HN 0.651 nan 8.150 nan 0.000 0.453 403 A N -0.741 122.109 122.820 0.050 0.000 1.993 403 A HA 0.194 4.514 4.320 0.001 0.000 0.207 403 A C 2.260 179.869 177.584 0.042 0.000 1.224 403 A CA 1.410 53.472 52.037 0.043 0.000 0.749 403 A CB -0.376 18.647 19.000 0.038 0.000 0.884 403 A HN 0.863 nan 8.150 nan 0.000 0.467 404 S N -2.227 113.499 115.700 0.043 0.000 2.503 404 S HA 0.387 4.857 4.470 0.001 0.000 0.215 404 S C 1.534 176.155 174.600 0.035 0.000 1.003 404 S CA 1.198 59.419 58.200 0.036 0.000 0.910 404 S CB 0.082 63.302 63.200 0.034 0.000 0.790 404 S HN 1.854 nan 8.310 nan 0.000 0.514 405 G N 1.276 110.105 108.800 0.048 0.000 2.184 405 G HA2 -0.237 3.724 3.960 0.001 0.000 0.264 405 G HA3 -0.237 3.724 3.960 0.001 0.000 0.264 405 G C -0.171 174.743 174.900 0.024 0.000 0.975 405 G CA 0.283 45.407 45.100 0.039 0.000 0.642 405 G HN 0.528 nan 8.290 nan 0.000 0.536 406 E N 0.325 120.546 120.200 0.034 0.000 2.384 406 E HA 0.327 4.677 4.350 0.001 0.000 0.266 406 E C 0.974 177.602 176.600 0.047 0.000 1.012 406 E CA -0.279 56.140 56.400 0.031 0.000 0.901 406 E CB 1.365 31.085 29.700 0.034 0.000 0.967 406 E HN 0.202 nan 8.360 nan 0.000 0.435 407 V N 3.957 123.893 119.914 0.036 0.000 2.585 407 V HA -0.059 4.061 4.120 0.001 0.000 0.296 407 V C 1.411 177.549 176.094 0.072 0.000 1.035 407 V CA 0.139 62.472 62.300 0.055 0.000 1.084 407 V CB 1.052 32.894 31.823 0.032 0.000 0.953 407 V HN 0.532 nan 8.190 nan 0.000 0.483 408 V N 3.557 123.535 119.914 0.107 0.000 2.690 408 V HA 0.521 4.642 4.120 0.001 0.000 0.240 408 V C 0.983 177.139 176.094 0.103 0.000 1.078 408 V CA 1.397 63.761 62.300 0.108 0.000 1.102 408 V CB 0.348 32.256 31.823 0.142 0.000 0.800 408 V HN 1.048 nan 8.190 nan 0.000 0.479 409 G N -0.657 108.220 108.800 0.128 0.000 2.428 409 G HA2 0.506 4.466 3.960 0.001 0.000 0.304 409 G HA3 0.506 4.466 3.960 0.001 0.000 0.304 409 G C -1.841 173.135 174.900 0.125 0.000 1.303 409 G CA -0.669 44.499 45.100 0.112 0.000 0.825 409 G HN 0.062 nan 8.290 nan 0.000 0.484 410 K N -0.752 119.709 120.400 0.102 0.000 2.477 410 K HA 0.718 5.039 4.320 0.001 0.000 0.255 410 K C -1.612 175.049 176.600 0.103 0.000 0.952 410 K CA -0.739 55.564 56.287 0.027 0.000 0.826 410 K CB 2.685 35.149 32.500 -0.060 0.000 1.331 410 K HN 0.661 nan 8.250 nan 0.000 0.437 411 F N -0.921 118.988 119.950 -0.068 0.000 2.608 411 F HA 0.511 5.038 4.527 0.001 0.000 0.309 411 F C -1.665 174.137 175.800 0.004 0.000 1.103 411 F CA -1.145 56.842 58.000 -0.022 0.000 0.954 411 F CB 0.638 39.585 39.000 -0.089 0.000 1.267 411 F HN 0.324 nan 8.300 nan 0.000 0.444 412 Y N 2.595 123.109 120.300 0.357 0.000 2.387 412 Y HA 0.728 5.278 4.550 0.001 0.000 0.330 412 Y C -0.383 175.755 175.900 0.396 0.000 1.133 412 Y CA -1.080 57.195 58.100 0.292 0.000 1.152 412 Y CB 1.858 40.481 38.460 0.272 0.000 1.215 412 Y HN 0.596 nan 8.280 nan 0.000 0.466 413 L N 3.042 124.552 121.223 0.479 0.000 2.343 413 L HA 0.355 4.696 4.340 0.001 0.000 0.278 413 L C -1.081 175.905 176.870 0.193 0.000 0.996 413 L CA -0.520 54.532 54.840 0.353 0.000 0.831 413 L CB 1.526 43.799 42.059 0.357 0.000 1.232 413 L HN 0.609 nan 8.230 nan 0.000 0.413 414 D N 4.245 124.733 120.400 0.147 0.000 2.404 414 D HA 0.293 4.933 4.640 0.001 0.000 0.267 414 D C 0.418 176.650 176.300 -0.114 0.000 1.194 414 D CA -0.276 53.761 54.000 0.062 0.000 0.910 414 D CB 1.063 42.031 40.800 0.281 0.000 1.090 414 D HN 0.391 nan 8.370 nan 0.000 0.511 415 L N 1.634 122.632 121.223 -0.375 0.000 2.529 415 L HA 0.216 4.556 4.340 0.001 0.000 0.223 415 L C 0.209 176.705 176.870 -0.623 0.000 1.113 415 L CA 0.185 54.660 54.840 -0.608 0.000 0.861 415 L CB -0.100 41.549 42.059 -0.684 0.000 1.012 415 L HN 0.238 nan 8.230 nan 0.000 0.461 416 Y N -0.223 120.060 120.300 -0.028 0.000 2.420 416 Y HA 0.436 4.987 4.550 0.001 0.000 0.334 416 Y C -2.185 173.672 175.900 -0.072 0.000 1.094 416 Y CA -3.137 54.945 58.100 -0.031 0.000 1.126 416 Y CB 0.453 38.925 38.460 0.021 0.000 1.217 416 Y HN -0.232 nan 8.280 nan 0.000 0.462 417 P HA 0.235 nan 4.420 nan 0.000 0.270 417 P C -1.046 176.245 177.300 -0.015 0.000 1.223 417 P CA -0.302 62.797 63.100 -0.002 0.000 0.785 417 P CB 0.593 32.290 31.700 -0.005 0.000 0.923 418 R N -0.877 119.589 120.500 -0.056 0.000 2.753 418 R HA 0.323 4.664 4.340 0.001 0.000 0.272 418 R C -1.170 175.090 176.300 -0.067 0.000 1.034 418 R CA -1.028 55.029 56.100 -0.071 0.000 0.869 418 R CB 0.609 30.815 30.300 -0.158 0.000 1.264 418 R HN 0.306 nan 8.270 nan 0.000 0.481 419 E N 0.431 120.602 120.200 -0.049 0.000 2.465 419 E HA 0.182 4.532 4.350 0.001 0.000 0.260 419 E C 0.723 177.291 176.600 -0.052 0.000 0.980 419 E CA 1.816 58.191 56.400 -0.042 0.000 0.927 419 E CB 0.284 29.969 29.700 -0.025 0.000 0.934 419 E HN 0.833 nan 8.360 nan 0.000 0.459 420 G N 4.085 112.855 108.800 -0.050 0.000 2.234 420 G HA2 -0.349 3.611 3.960 0.001 0.000 0.260 420 G HA3 -0.349 3.611 3.960 0.001 0.000 0.260 420 G C 0.288 175.151 174.900 -0.062 0.000 0.987 420 G CA 0.583 45.650 45.100 -0.055 0.000 0.625 420 G HN 0.579 nan 8.290 nan 0.000 0.532 421 K N 0.186 120.548 120.400 -0.064 0.000 2.249 421 K HA 0.453 4.774 4.320 0.001 0.000 0.280 421 K C 0.490 177.104 176.600 0.023 0.000 1.033 421 K CA -0.968 55.289 56.287 -0.050 0.000 0.946 421 K CB 0.354 32.810 32.500 -0.075 0.000 1.005 421 K HN 0.178 nan 8.250 nan 0.000 0.469 422 Y N 3.085 123.354 120.300 -0.051 0.000 2.944 422 Y HA -0.086 4.465 4.550 0.001 0.000 0.340 422 Y C 1.137 177.047 175.900 0.016 0.000 1.275 422 Y CA 1.430 59.558 58.100 0.046 0.000 1.590 422 Y CB 0.575 39.099 38.460 0.107 0.000 1.218 422 Y HN 0.869 nan 8.280 nan 0.000 0.576 423 G N 4.304 112.865 108.800 -0.398 0.000 2.650 423 G HA2 -0.067 3.893 3.960 0.001 0.000 0.214 423 G HA3 -0.067 3.893 3.960 0.001 0.000 0.214 423 G C -0.332 174.171 174.900 -0.660 0.000 1.136 423 G CA 0.206 45.019 45.100 -0.478 0.000 0.789 423 G HN 0.714 nan 8.290 nan 0.000 0.536 424 H N -1.275 117.414 119.070 -0.636 0.000 2.710 424 H HA 0.681 5.238 4.556 0.001 0.000 0.361 424 H C 0.146 175.469 175.328 -0.008 0.000 1.175 424 H CA -0.467 55.403 56.048 -0.298 0.000 1.206 424 H CB 1.382 30.980 29.762 -0.274 0.000 1.750 424 H HN 0.106 nan 8.280 nan 0.000 0.553 425 A N 0.807 123.705 122.820 0.130 0.000 2.425 425 A HA 0.668 4.988 4.320 0.001 0.000 0.249 425 A C -0.168 177.537 177.584 0.203 0.000 1.084 425 A CA 0.536 52.635 52.037 0.104 0.000 0.781 425 A CB -0.440 18.577 19.000 0.028 0.000 1.019 425 A HN 0.890 nan 8.150 nan 0.000 0.490 426 A N 0.519 123.439 122.820 0.167 0.000 2.586 426 A HA 0.563 4.884 4.320 0.001 0.000 0.291 426 A C -0.888 176.661 177.584 -0.059 0.000 1.062 426 A CA 0.045 52.072 52.037 -0.017 0.000 0.666 426 A CB 0.548 19.377 19.000 -0.285 0.000 1.281 426 A HN 2.033 nan 8.150 nan 0.000 0.421 427 C N 0.987 120.145 119.300 -0.237 0.000 2.319 427 C HA 0.850 5.310 4.460 0.001 0.000 0.323 427 C C -1.412 173.365 174.990 -0.355 0.000 1.277 427 C CA -0.807 58.122 59.018 -0.148 0.000 1.517 427 C CB -1.319 26.363 27.740 -0.096 0.000 2.206 427 C HN 0.513 nan 8.230 nan 0.000 0.486 428 F N 4.411 124.277 119.950 -0.139 0.000 2.426 428 F HA 0.524 5.051 4.527 0.001 0.000 0.348 428 F C 1.100 176.765 175.800 -0.225 0.000 1.124 428 F CA -0.131 57.746 58.000 -0.206 0.000 1.008 428 F CB 1.413 40.274 39.000 -0.232 0.000 1.139 428 F HN 0.820 nan 8.300 nan 0.000 0.452 429 G N 3.834 112.598 108.800 -0.059 0.000 2.380 429 G HA2 0.414 4.375 3.960 0.001 0.000 0.262 429 G HA3 0.414 4.375 3.960 0.001 0.000 0.262 429 G C 0.383 175.242 174.900 -0.068 0.000 1.243 429 G CA -0.283 44.769 45.100 -0.081 0.000 0.865 429 G HN 0.766 nan 8.290 nan 0.000 0.513 430 L N 0.919 122.109 121.223 -0.054 0.000 2.541 430 L HA 0.318 4.658 4.340 0.001 0.000 0.187 430 L C 1.223 178.092 176.870 -0.002 0.000 1.098 430 L CA 0.300 55.112 54.840 -0.047 0.000 0.846 430 L CB 0.114 42.170 42.059 -0.006 0.000 1.151 430 L HN 0.492 nan 8.230 nan 0.000 0.492 431 Q N 2.115 121.930 119.800 0.025 0.000 2.333 431 Q HA 0.344 4.685 4.340 0.001 0.000 0.268 431 Q C -2.564 173.443 176.000 0.012 0.000 1.007 431 Q CA -2.166 53.648 55.803 0.018 0.000 0.810 431 Q CB 2.392 31.150 28.738 0.033 0.000 1.264 431 Q HN -0.080 nan 8.270 nan 0.000 0.452 432 P HA 0.126 nan 4.420 nan 0.000 0.279 432 P C -0.335 176.972 177.300 0.012 0.000 1.239 432 P CA -0.077 63.028 63.100 0.008 0.000 0.789 432 P CB 1.097 32.817 31.700 0.034 0.000 0.933 433 G N 2.173 110.981 108.800 0.013 0.000 2.351 433 G HA2 0.489 4.450 3.960 0.001 0.000 0.287 433 G HA3 0.489 4.450 3.960 0.001 0.000 0.287 433 G C 0.232 175.145 174.900 0.023 0.000 1.159 433 G CA -0.194 44.918 45.100 0.019 0.000 0.929 433 G HN 0.876 nan 8.290 nan 0.000 0.435 434 C N 1.251 120.552 119.300 0.003 0.000 3.260 434 C HA 0.674 5.134 4.460 0.001 0.000 0.366 434 C C -0.570 174.386 174.990 -0.056 0.000 1.537 434 C CA -1.409 57.596 59.018 -0.022 0.000 1.160 434 C CB 0.334 28.054 27.740 -0.034 0.000 1.760 434 C HN 0.616 nan 8.230 nan 0.000 0.432 435 L N 1.671 122.823 121.223 -0.118 0.000 2.325 435 L HA 0.578 4.918 4.340 0.001 0.000 0.279 435 L C 0.695 177.489 176.870 -0.127 0.000 1.054 435 L CA -0.385 54.381 54.840 -0.123 0.000 0.804 435 L CB 0.795 42.754 42.059 -0.168 0.000 1.200 435 L HN 0.695 nan 8.230 nan 0.000 0.436 436 R N 0.678 121.126 120.500 -0.087 0.000 2.574 436 R HA 0.094 4.434 4.340 0.001 0.000 0.266 436 R C 0.905 177.155 176.300 -0.083 0.000 1.157 436 R CA -0.546 55.510 56.100 -0.073 0.000 1.187 436 R CB 0.470 30.742 30.300 -0.047 0.000 1.179 436 R HN 0.596 nan 8.270 nan 0.000 0.600 437 Q N 0.989 120.750 119.800 -0.065 0.000 2.181 437 Q HA -0.203 4.138 4.340 0.001 0.000 0.205 437 Q C 0.829 176.801 176.000 -0.047 0.000 0.980 437 Q CA 2.052 57.819 55.803 -0.060 0.000 0.862 437 Q CB 0.040 28.753 28.738 -0.041 0.000 0.905 437 Q HN 0.607 nan 8.270 nan 0.000 0.429 438 D N -2.271 118.106 120.400 -0.039 0.000 2.340 438 D HA 0.030 4.671 4.640 0.001 0.000 0.220 438 D C 1.109 177.391 176.300 -0.031 0.000 1.039 438 D CA 0.946 54.929 54.000 -0.029 0.000 0.866 438 D CB 0.307 41.094 40.800 -0.022 0.000 0.913 438 D HN 0.424 nan 8.370 nan 0.000 0.523 439 G N 0.471 109.243 108.800 -0.047 0.000 2.213 439 G HA2 -0.288 3.672 3.960 0.001 0.000 0.236 439 G HA3 -0.288 3.672 3.960 0.001 0.000 0.236 439 G C 0.415 175.291 174.900 -0.041 0.000 0.991 439 G CA 0.367 45.438 45.100 -0.048 0.000 0.629 439 G HN 0.792 nan 8.290 nan 0.000 0.517 440 S N -0.055 115.624 115.700 -0.035 0.000 2.592 440 S HA 0.608 5.078 4.470 0.001 0.000 0.271 440 S C 0.295 174.877 174.600 -0.031 0.000 1.326 440 S CA 0.090 58.275 58.200 -0.026 0.000 1.024 440 S CB 1.908 65.096 63.200 -0.020 0.000 0.921 440 S HN 0.787 nan 8.310 nan 0.000 0.527 441 R N 1.455 121.943 120.500 -0.020 0.000 2.308 441 R HA 0.234 4.575 4.340 0.001 0.000 0.305 441 R C 0.025 176.318 176.300 -0.011 0.000 1.053 441 R CA -0.483 55.607 56.100 -0.017 0.000 0.957 441 R CB 0.568 30.866 30.300 -0.004 0.000 1.022 441 R HN 0.889 nan 8.270 nan 0.000 0.461 442 Q N 5.682 125.474 119.800 -0.013 0.000 2.256 442 Q HA 0.326 4.667 4.340 0.001 0.000 0.257 442 Q C -0.128 175.876 176.000 0.007 0.000 0.936 442 Q CA -0.897 54.903 55.803 -0.005 0.000 0.903 442 Q CB 1.442 30.173 28.738 -0.011 0.000 1.263 442 Q HN 0.699 nan 8.270 nan 0.000 0.440 443 I N -0.230 120.350 120.570 0.016 0.000 2.882 443 I HA 0.572 4.743 4.170 0.001 0.000 0.286 443 I C -0.145 175.992 176.117 0.032 0.000 1.139 443 I CA -0.732 60.585 61.300 0.029 0.000 1.379 443 I CB 0.831 38.853 38.000 0.036 0.000 1.410 443 I HN 0.749 nan 8.210 nan 0.000 0.594 444 A N 6.590 129.433 122.820 0.038 0.000 2.340 444 A HA 0.745 5.066 4.320 0.001 0.000 0.268 444 A C -0.283 177.337 177.584 0.060 0.000 1.100 444 A CA -0.497 51.561 52.037 0.035 0.000 0.803 444 A CB 0.303 19.314 19.000 0.020 0.000 1.043 444 A HN 0.725 nan 8.150 nan 0.000 0.488 445 I N 1.095 121.709 120.570 0.074 0.000 2.512 445 I HA 0.572 4.743 4.170 0.001 0.000 0.287 445 I C 0.176 176.378 176.117 0.141 0.000 1.069 445 I CA -0.205 61.175 61.300 0.134 0.000 1.056 445 I CB 1.933 40.045 38.000 0.187 0.000 1.229 445 I HN 0.768 nan 8.210 nan 0.000 0.429 446 A N 4.663 127.590 122.820 0.178 0.000 2.485 446 A HA 1.006 5.326 4.320 0.001 0.000 0.292 446 A C -1.260 176.492 177.584 0.281 0.000 1.147 446 A CA -0.671 51.447 52.037 0.135 0.000 0.750 446 A CB 2.001 21.016 19.000 0.026 0.000 1.331 446 A HN 0.782 nan 8.150 nan 0.000 0.419 447 A N 0.745 123.687 122.820 0.203 0.000 2.374 447 A HA 0.710 5.031 4.320 0.001 0.000 0.305 447 A C -0.708 177.059 177.584 0.306 0.000 1.053 447 A CA -0.290 51.951 52.037 0.340 0.000 0.726 447 A CB 1.132 20.265 19.000 0.222 0.000 1.229 447 A HN 0.966 nan 8.150 nan 0.000 0.431 448 M N 3.428 123.221 119.600 0.322 0.000 2.205 448 M HA 0.541 5.022 4.480 0.001 0.000 0.344 448 M C -1.613 174.838 176.300 0.252 0.000 1.085 448 M CA -0.500 54.947 55.300 0.245 0.000 1.001 448 M CB 1.196 33.916 32.600 0.201 0.000 1.626 448 M HN 0.449 nan 8.290 nan 0.000 0.442 449 V N 4.158 124.220 119.914 0.246 0.000 2.555 449 V HA 0.922 5.042 4.120 0.001 0.000 0.302 449 V C -0.287 175.814 176.094 0.011 0.000 1.038 449 V CA -0.490 61.917 62.300 0.178 0.000 0.887 449 V CB 1.481 33.496 31.823 0.320 0.000 0.991 449 V HN 0.992 nan 8.190 nan 0.000 0.434 450 A N 3.663 126.359 122.820 -0.208 0.000 2.583 450 A HA 0.765 5.085 4.320 0.001 0.000 0.289 450 A C -0.626 176.630 177.584 -0.548 0.000 1.151 450 A CA -0.662 51.044 52.037 -0.552 0.000 0.695 450 A CB 1.735 20.032 19.000 -1.173 0.000 1.290 450 A HN 0.663 nan 8.150 nan 0.000 0.419 451 N N 0.645 118.941 118.700 -0.673 0.000 2.642 451 N HA 0.284 5.025 4.740 0.001 0.000 0.308 451 N C -1.598 173.787 175.510 -0.208 0.000 1.914 451 N CA 0.129 52.974 53.050 -0.342 0.000 0.893 451 N CB 0.332 38.691 38.487 -0.214 0.000 1.322 451 N HN 0.447 nan 8.380 nan 0.000 0.490 452 F N 0.974 120.936 119.950 0.020 0.000 2.412 452 F HA 0.225 4.753 4.527 0.001 0.000 0.348 452 F C 1.675 177.590 175.800 0.191 0.000 1.102 452 F CA -0.589 57.458 58.000 0.078 0.000 1.196 452 F CB 0.207 39.247 39.000 0.067 0.000 1.144 452 F HN -0.156 nan 8.300 nan 0.000 0.541 453 T N 2.930 117.658 114.554 0.289 0.000 2.933 453 T HA -0.043 4.307 4.350 0.001 0.000 0.306 453 T C 0.261 175.024 174.700 0.106 0.000 1.045 453 T CA -0.137 62.053 62.100 0.152 0.000 1.143 453 T CB 0.083 68.993 68.868 0.070 0.000 1.003 453 T HN 0.462 nan 8.240 nan 0.000 0.540 454 K N 4.089 124.436 120.400 -0.088 0.000 2.276 454 K HA 0.227 4.548 4.320 0.001 0.000 0.283 454 K C -2.505 173.914 176.600 -0.301 0.000 1.044 454 K CA -1.874 54.091 56.287 -0.537 0.000 0.944 454 K CB 0.333 32.457 32.500 -0.627 0.000 1.012 454 K HN 0.236 nan 8.250 nan 0.000 0.472 455 P HA 0.034 nan 4.420 nan 0.000 0.271 455 P C -1.016 176.206 177.300 -0.131 0.000 1.216 455 P CA -0.104 62.908 63.100 -0.147 0.000 0.771 455 P CB 1.076 32.719 31.700 -0.095 0.000 0.864 456 T N -1.183 113.320 114.554 -0.085 0.000 2.864 456 T HA 0.658 5.008 4.350 0.001 0.000 0.289 456 T C 1.079 175.758 174.700 -0.035 0.000 1.082 456 T CA -0.203 61.861 62.100 -0.061 0.000 1.009 456 T CB 1.220 70.055 68.868 -0.055 0.000 1.234 456 T HN 0.221 nan 8.240 nan 0.000 0.526 457 A N 1.334 124.140 122.820 -0.023 0.000 2.030 457 A HA -0.253 4.067 4.320 0.001 0.000 0.266 457 A C 1.350 178.933 177.584 -0.000 0.000 2.529 457 A CA 2.583 54.615 52.037 -0.009 0.000 0.955 457 A CB -1.504 17.492 19.000 -0.007 0.000 0.765 457 A HN 0.942 nan 8.150 nan 0.000 0.502 458 D N -0.837 119.562 120.400 -0.001 0.000 2.593 458 D HA 0.490 5.131 4.640 0.001 0.000 0.241 458 D C -0.315 175.984 176.300 -0.002 0.000 1.257 458 D CA 0.807 54.814 54.000 0.012 0.000 0.828 458 D CB 0.364 41.174 40.800 0.017 0.000 1.049 458 D HN 0.513 nan 8.370 nan 0.000 0.490 459 A N 1.939 124.743 122.820 -0.027 0.000 2.763 459 A HA 0.525 4.846 4.320 0.001 0.000 0.325 459 A C -2.692 174.838 177.584 -0.091 0.000 1.209 459 A CA -1.173 50.830 52.037 -0.058 0.000 0.764 459 A CB 0.990 19.962 19.000 -0.047 0.000 1.120 459 A HN -0.150 nan 8.150 nan 0.000 0.463 460 P HA 0.161 nan 4.420 nan 0.000 0.272 460 P C 0.115 177.309 177.300 -0.177 0.000 1.223 460 P CA 0.053 63.040 63.100 -0.188 0.000 0.784 460 P CB 0.993 32.453 31.700 -0.400 0.000 0.923 461 S N 2.467 118.100 115.700 -0.112 0.000 2.404 461 S HA 0.371 4.842 4.470 0.001 0.000 0.309 461 S C -0.538 174.024 174.600 -0.063 0.000 1.076 461 S CA -0.645 57.518 58.200 -0.061 0.000 1.095 461 S CB -0.976 62.227 63.200 0.006 0.000 0.972 461 S HN 0.209 nan 8.310 nan 0.000 0.484 462 L N 5.155 126.324 121.223 -0.090 0.000 2.272 462 L HA 0.488 4.828 4.340 0.001 0.000 0.289 462 L C -0.701 176.162 176.870 -0.013 0.000 1.032 462 L CA -1.040 53.763 54.840 -0.062 0.000 0.810 462 L CB 1.074 43.062 42.059 -0.119 0.000 1.205 462 L HN 0.396 nan 8.230 nan 0.000 0.422 463 L N 3.701 124.928 121.223 0.008 0.000 2.326 463 L HA 0.252 4.593 4.340 0.001 0.000 0.278 463 L C 0.536 177.370 176.870 -0.061 0.000 1.092 463 L CA 0.059 54.865 54.840 -0.056 0.000 0.810 463 L CB 0.750 42.715 42.059 -0.157 0.000 1.153 463 L HN 0.513 nan 8.230 nan 0.000 0.439 464 Q N 1.822 121.583 119.800 -0.066 0.000 2.443 464 Q HA 0.002 4.342 4.340 0.001 0.000 0.232 464 Q C 1.151 177.051 176.000 -0.167 0.000 1.026 464 Q CA -0.049 55.714 55.803 -0.067 0.000 0.924 464 Q CB 0.408 29.134 28.738 -0.021 0.000 1.256 464 Q HN 0.583 nan 8.270 nan 0.000 0.519 465 H N 1.915 120.812 119.070 -0.289 0.000 2.421 465 H HA -0.134 4.423 4.556 0.001 0.000 0.298 465 H C 0.984 176.133 175.328 -0.298 0.000 1.087 465 H CA 1.839 57.627 56.048 -0.433 0.000 1.330 465 H CB 0.509 29.996 29.762 -0.458 0.000 1.388 465 H HN 0.703 nan 8.280 nan 0.000 0.526 466 D N 0.249 120.553 120.400 -0.159 0.000 2.219 466 D HA -0.152 4.488 4.640 0.001 0.000 0.205 466 D C 1.468 177.717 176.300 -0.085 0.000 0.970 466 D CA 0.734 54.670 54.000 -0.107 0.000 0.851 466 D CB -0.326 40.478 40.800 0.005 0.000 0.943 466 D HN 0.548 nan 8.370 nan 0.000 0.488 467 E N 0.546 120.702 120.200 -0.074 0.000 2.112 467 E HA -0.057 4.294 4.350 0.001 0.000 0.190 467 E C 2.484 179.061 176.600 -0.038 0.000 0.979 467 E CA 0.415 56.833 56.400 0.031 0.000 0.814 467 E CB 0.216 29.916 29.700 -0.000 0.000 0.762 467 E HN 0.133 nan 8.360 nan 0.000 0.460 468 V N 1.654 121.438 119.914 -0.217 0.000 2.427 468 V HA -0.254 3.867 4.120 0.001 0.000 0.248 468 V C 2.357 178.384 176.094 -0.112 0.000 1.051 468 V CA 1.967 64.154 62.300 -0.188 0.000 1.048 468 V CB -0.432 31.145 31.823 -0.410 0.000 0.666 468 V HN 0.283 nan 8.190 nan 0.000 0.456 469 E N 0.160 120.191 120.200 -0.282 0.000 2.051 469 E HA -0.220 4.130 4.350 0.001 0.000 0.192 469 E C 2.227 178.906 176.600 0.132 0.000 0.991 469 E CA 1.890 58.202 56.400 -0.147 0.000 0.799 469 E CB -0.141 29.435 29.700 -0.207 0.000 0.748 469 E HN 0.594 nan 8.360 nan 0.000 0.449 470 T N 0.318 114.956 114.554 0.141 0.000 2.746 470 T HA -0.182 4.169 4.350 0.001 0.000 0.267 470 T C 1.450 176.382 174.700 0.387 0.000 1.039 470 T CA 1.227 63.458 62.100 0.218 0.000 1.142 470 T CB -0.477 68.505 68.868 0.191 0.000 0.866 470 T HN 0.278 nan 8.240 nan 0.000 0.444 471 Y N 0.948 121.416 120.300 0.279 0.000 2.097 471 Y HA -0.104 4.447 4.550 0.001 0.000 0.282 471 Y C 2.061 178.109 175.900 0.246 0.000 1.152 471 Y CA 0.428 58.713 58.100 0.310 0.000 1.136 471 Y CB -1.084 37.503 38.460 0.211 0.000 0.975 471 Y HN 0.229 nan 8.280 nan 0.000 0.498 472 F N -0.109 119.983 119.950 0.236 0.000 2.126 472 F HA -0.233 4.295 4.527 0.001 0.000 0.299 472 F C 2.792 178.731 175.800 0.231 0.000 1.096 472 F CA 2.191 60.291 58.000 0.165 0.000 1.255 472 F CB -0.670 38.363 39.000 0.056 0.000 0.997 472 F HN 0.302 nan 8.300 nan 0.000 0.479 473 H N -0.708 118.542 119.070 0.300 0.000 2.267 473 H HA -0.191 4.366 4.556 0.001 0.000 0.297 473 H C 2.273 177.620 175.328 0.032 0.000 1.080 473 H CA 2.171 58.311 56.048 0.153 0.000 1.278 473 H CB -0.155 29.701 29.762 0.158 0.000 1.365 473 H HN 0.093 nan 8.280 nan 0.000 0.489 474 E N -0.081 120.360 120.200 0.403 0.000 2.077 474 E HA -0.163 4.188 4.350 0.001 0.000 0.193 474 E C 1.946 178.598 176.600 0.086 0.000 0.989 474 E CA 1.082 57.673 56.400 0.318 0.000 0.800 474 E CB -0.539 29.348 29.700 0.312 0.000 0.746 474 E HN 0.537 nan 8.360 nan 0.000 0.452 475 F N 0.032 119.905 119.950 -0.128 0.000 2.269 475 F HA -0.019 4.508 4.527 0.001 0.000 0.301 475 F C 1.991 177.411 175.800 -0.632 0.000 1.082 475 F CA 1.512 59.239 58.000 -0.454 0.000 1.360 475 F CB -0.393 38.178 39.000 -0.714 0.000 1.041 475 F HN 0.102 nan 8.300 nan 0.000 0.512 476 G N -0.843 107.716 108.800 -0.402 0.000 2.442 476 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 476 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 476 G C 1.561 176.264 174.900 -0.329 0.000 1.141 476 G CA 1.012 45.911 45.100 -0.335 0.000 0.763 476 G HN 0.406 nan 8.290 nan 0.000 0.554 477 H N -0.019 118.915 119.070 -0.227 0.000 2.389 477 H HA 0.007 4.564 4.556 0.001 0.000 0.299 477 H C 2.848 178.020 175.328 -0.260 0.000 1.081 477 H CA 1.100 57.047 56.048 -0.169 0.000 1.345 477 H CB -0.397 29.282 29.762 -0.138 0.000 1.393 477 H HN 0.202 nan 8.280 nan 0.000 0.520 478 V N 1.089 120.798 119.914 -0.342 0.000 2.343 478 V HA -0.260 3.860 4.120 0.001 0.000 0.247 478 V C 2.601 178.384 176.094 -0.517 0.000 1.051 478 V CA 1.397 63.382 62.300 -0.526 0.000 1.036 478 V CB -0.390 30.823 31.823 -1.018 0.000 0.654 478 V HN 0.313 nan 8.190 nan 0.000 0.451 479 M N -0.926 118.302 119.600 -0.621 0.000 2.229 479 M HA -0.150 4.331 4.480 0.001 0.000 0.264 479 M C 2.117 178.363 176.300 -0.089 0.000 1.063 479 M CA 1.705 56.797 55.300 -0.347 0.000 1.114 479 M CB -1.417 31.024 32.600 -0.266 0.000 1.387 479 M HN 0.557 nan 8.290 nan 0.000 0.420 480 H N -0.109 118.856 119.070 -0.175 0.000 2.357 480 H HA -0.121 4.435 4.556 0.001 0.000 0.301 480 H C 2.088 177.361 175.328 -0.093 0.000 1.082 480 H CA 0.968 56.951 56.048 -0.108 0.000 1.342 480 H CB 0.499 30.221 29.762 -0.066 0.000 1.389 480 H HN 0.289 nan 8.280 nan 0.000 0.511 481 Q N 0.472 120.248 119.800 -0.040 0.000 2.061 481 Q HA -0.150 4.190 4.340 0.001 0.000 0.204 481 Q C 2.608 178.582 176.000 -0.043 0.000 0.984 481 Q CA 1.208 56.947 55.803 -0.106 0.000 0.846 481 Q CB -0.092 28.569 28.738 -0.128 0.000 0.902 481 Q HN 0.574 nan 8.270 nan 0.000 0.421 482 L N -0.854 120.347 121.223 -0.037 0.000 2.131 482 L HA -0.096 4.245 4.340 0.001 0.000 0.206 482 L C 2.423 179.320 176.870 0.044 0.000 1.087 482 L CA 0.622 55.470 54.840 0.013 0.000 0.767 482 L CB -0.402 41.671 42.059 0.022 0.000 0.917 482 L HN 0.213 nan 8.230 nan 0.000 0.441 483 C N -0.000 119.327 119.300 0.045 0.000 2.539 483 C HA 0.029 4.490 4.460 0.001 0.000 0.268 483 C C 1.831 176.858 174.990 0.062 0.000 1.395 483 C CA -0.411 58.641 59.018 0.057 0.000 1.757 483 C CB -0.956 26.808 27.740 0.040 0.000 1.851 483 C HN 0.518 nan 8.230 nan 0.000 0.545 484 S N 1.101 116.850 115.700 0.082 0.000 2.572 484 S HA 0.193 4.663 4.470 0.001 0.000 0.279 484 S C 0.041 174.685 174.600 0.072 0.000 1.341 484 S CA 0.191 58.448 58.200 0.095 0.000 1.043 484 S CB 0.575 63.833 63.200 0.097 0.000 0.887 484 S HN 0.486 nan 8.310 nan 0.000 0.516 485 Q N 0.551 120.397 119.800 0.077 0.000 2.158 485 Q HA 0.357 4.697 4.340 0.001 0.000 0.306 485 Q C 0.154 176.208 176.000 0.090 0.000 0.878 485 Q CA -0.279 55.566 55.803 0.070 0.000 1.136 485 Q CB 0.878 29.652 28.738 0.059 0.000 1.253 485 Q HN 0.888 nan 8.270 nan 0.000 0.441 486 A N 0.585 123.478 122.820 0.121 0.000 2.448 486 A HA 0.076 4.396 4.320 0.001 0.000 0.239 486 A C 0.967 178.639 177.584 0.146 0.000 1.080 486 A CA 0.195 52.343 52.037 0.185 0.000 0.779 486 A CB 0.524 19.685 19.000 0.268 0.000 1.026 486 A HN 0.304 nan 8.150 nan 0.000 0.499 487 E N -0.114 120.199 120.200 0.188 0.000 2.307 487 E HA 0.101 4.451 4.350 0.001 0.000 0.195 487 E C -0.861 175.641 176.600 -0.165 0.000 0.975 487 E CA 0.281 56.686 56.400 0.009 0.000 0.878 487 E CB 0.199 29.890 29.700 -0.014 0.000 0.845 487 E HN 0.636 nan 8.360 nan 0.000 0.488 488 F N 0.255 120.203 119.950 -0.004 0.000 2.421 488 F HA 0.328 4.856 4.527 0.001 0.000 0.337 488 F C 1.201 176.919 175.800 -0.135 0.000 1.105 488 F CA -0.548 57.339 58.000 -0.189 0.000 1.049 488 F CB 1.323 40.069 39.000 -0.424 0.000 1.139 488 F HN -0.123 nan 8.300 nan 0.000 0.479 489 A N 4.010 126.823 122.820 -0.011 0.000 1.948 489 A HA -0.242 4.078 4.320 0.001 0.000 0.220 489 A C 2.206 179.834 177.584 0.074 0.000 1.177 489 A CA 1.907 53.968 52.037 0.040 0.000 0.636 489 A CB -0.779 18.237 19.000 0.027 0.000 0.815 489 A HN 0.922 nan 8.150 nan 0.000 0.449 490 M N -1.500 118.050 119.600 -0.084 0.000 2.267 490 M HA -0.106 4.375 4.480 0.001 0.000 0.263 490 M C 0.904 177.165 176.300 -0.065 0.000 1.063 490 M CA 1.700 56.873 55.300 -0.212 0.000 1.090 490 M CB -0.187 32.176 32.600 -0.395 0.000 1.392 490 M HN 0.477 nan 8.290 nan 0.000 0.422 491 F N -0.192 119.877 119.950 0.198 0.000 2.664 491 F HA 0.181 4.709 4.527 0.001 0.000 0.303 491 F C 1.258 177.166 175.800 0.178 0.000 1.092 491 F CA -0.891 57.220 58.000 0.186 0.000 1.305 491 F CB 0.090 39.184 39.000 0.157 0.000 1.054 491 F HN 0.096 nan 8.300 nan 0.000 0.565 492 S N 0.281 116.181 115.700 0.334 0.000 2.572 492 S HA 0.508 4.979 4.470 0.001 0.000 0.279 492 S C 1.134 175.725 174.600 -0.016 0.000 1.341 492 S CA -0.065 58.229 58.200 0.157 0.000 1.043 492 S CB 1.054 64.315 63.200 0.101 0.000 0.887 492 S HN 0.579 nan 8.310 nan 0.000 0.516 493 G N 2.387 111.133 108.800 -0.089 0.000 2.685 493 G HA2 -0.411 3.549 3.960 0.001 0.000 0.329 493 G HA3 -0.411 3.549 3.960 0.001 0.000 0.329 493 G C 0.887 175.449 174.900 -0.563 0.000 1.271 493 G CA 1.410 46.338 45.100 -0.286 0.000 1.003 493 G HN 2.098 nan 8.290 nan 0.000 0.549 494 T N -2.343 111.844 114.554 -0.612 0.000 3.317 494 T HA 0.254 4.604 4.350 0.001 0.000 0.250 494 T C 0.858 175.426 174.700 -0.221 0.000 1.106 494 T CA 1.088 62.860 62.100 -0.546 0.000 0.986 494 T CB -0.405 68.226 68.868 -0.395 0.000 1.010 494 T HN 0.689 nan 8.240 nan 0.000 0.560 495 H N 1.536 120.558 119.070 -0.081 0.000 2.970 495 H HA 0.435 4.992 4.556 0.001 0.000 0.226 495 H C 0.668 176.050 175.328 0.090 0.000 1.909 495 H CA -0.853 55.209 56.048 0.024 0.000 1.388 495 H CB -0.321 29.487 29.762 0.078 0.000 1.773 495 H HN 0.403 nan 8.280 nan 0.000 0.559 496 V N -1.487 118.545 119.914 0.198 0.000 3.182 496 V HA 0.398 4.518 4.120 0.001 0.000 0.311 496 V C 0.200 176.399 176.094 0.176 0.000 1.221 496 V CA -1.491 60.942 62.300 0.221 0.000 1.060 496 V CB 1.717 33.765 31.823 0.374 0.000 1.164 496 V HN 0.211 nan 8.190 nan 0.000 0.466 497 E N 0.485 120.791 120.200 0.176 0.000 2.502 497 E HA 0.132 4.482 4.350 0.001 0.000 0.261 497 E C 1.041 177.700 176.600 0.098 0.000 0.974 497 E CA 0.404 56.866 56.400 0.103 0.000 0.936 497 E CB 0.242 29.998 29.700 0.093 0.000 0.926 497 E HN 0.519 nan 8.360 nan 0.000 0.459 498 R N 1.818 122.313 120.500 -0.009 0.000 2.152 498 R HA -0.141 4.199 4.340 0.001 0.000 0.232 498 R C 0.712 176.966 176.300 -0.077 0.000 1.117 498 R CA 1.502 57.564 56.100 -0.063 0.000 0.981 498 R CB -0.049 30.164 30.300 -0.145 0.000 0.870 498 R HN 0.610 nan 8.270 nan 0.000 0.451 499 D N -1.191 119.161 120.400 -0.079 0.000 2.328 499 D HA -0.098 4.543 4.640 0.001 0.000 0.226 499 D C 0.939 177.381 176.300 0.236 0.000 1.066 499 D CA 0.189 54.126 54.000 -0.105 0.000 0.861 499 D CB -0.193 40.353 40.800 -0.424 0.000 0.912 499 D HN 0.266 nan 8.370 nan 0.000 0.521 500 F N -0.298 119.713 119.950 0.102 0.000 2.778 500 F HA 0.181 4.708 4.527 0.001 0.000 0.314 500 F C 1.735 177.641 175.800 0.176 0.000 1.073 500 F CA -0.225 57.892 58.000 0.196 0.000 1.218 500 F CB 0.389 39.502 39.000 0.189 0.000 1.037 500 F HN -0.132 nan 8.300 nan 0.000 0.594 501 V N 1.113 121.060 119.914 0.055 0.000 2.453 501 V HA -0.230 3.890 4.120 0.001 0.000 0.252 501 V C 1.881 177.998 176.094 0.037 0.000 1.068 501 V CA 2.450 64.763 62.300 0.022 0.000 1.070 501 V CB -0.230 31.622 31.823 0.048 0.000 0.664 501 V HN 0.320 nan 8.190 nan 0.000 0.461 502 E N -0.247 119.980 120.200 0.044 0.000 2.385 502 E HA 0.111 4.461 4.350 0.001 0.000 0.194 502 E C 2.199 178.792 176.600 -0.012 0.000 1.013 502 E CA 0.968 57.442 56.400 0.123 0.000 0.866 502 E CB -0.295 29.530 29.700 0.208 0.000 0.832 502 E HN 0.680 nan 8.360 nan 0.000 0.500 503 A N 2.242 124.974 122.820 -0.145 0.000 1.883 503 A HA -0.138 4.183 4.320 0.001 0.000 0.217 503 A C -0.253 177.258 177.584 -0.121 0.000 1.186 503 A CA 1.413 53.376 52.037 -0.123 0.000 0.624 503 A CB -1.505 17.383 19.000 -0.188 0.000 0.822 503 A HN 0.164 nan 8.150 nan 0.000 0.444 504 P HA -0.081 nan 4.420 nan 0.000 0.215 504 P C 1.712 178.948 177.300 -0.106 0.000 1.153 504 P CA 1.774 64.824 63.100 -0.083 0.000 0.853 504 P CB -0.076 31.520 31.700 -0.173 0.000 0.788 505 S N -0.851 114.666 115.700 -0.305 0.000 2.387 505 S HA -0.154 4.317 4.470 0.001 0.000 0.226 505 S C 1.926 176.391 174.600 -0.225 0.000 1.026 505 S CA 1.073 58.964 58.200 -0.514 0.000 0.972 505 S CB -0.703 61.664 63.200 -1.388 0.000 0.814 505 S HN 0.301 nan 8.310 nan 0.000 0.477 506 Q N 0.337 120.107 119.800 -0.049 0.000 2.172 506 Q HA 0.033 4.374 4.340 0.001 0.000 0.200 506 Q C 2.181 178.265 176.000 0.140 0.000 0.964 506 Q CA 0.862 56.754 55.803 0.148 0.000 0.855 506 Q CB -0.194 28.661 28.738 0.196 0.000 0.918 506 Q HN 0.533 nan 8.270 nan 0.000 0.444 507 M N 0.416 120.090 119.600 0.123 0.000 2.086 507 M HA -0.178 4.303 4.480 0.001 0.000 0.261 507 M C 1.731 178.130 176.300 0.165 0.000 1.067 507 M CA 1.493 56.907 55.300 0.191 0.000 1.116 507 M CB 0.027 32.770 32.600 0.238 0.000 1.348 507 M HN 0.237 nan 8.290 nan 0.000 0.407 508 L N 0.120 121.383 121.223 0.067 0.000 2.191 508 L HA -0.185 4.155 4.340 0.001 0.000 0.212 508 L C 2.149 179.171 176.870 0.253 0.000 1.103 508 L CA 1.133 56.000 54.840 0.047 0.000 0.769 508 L CB -0.657 41.378 42.059 -0.040 0.000 0.908 508 L HN 0.377 nan 8.230 nan 0.000 0.438 509 E N 0.066 120.392 120.200 0.211 0.000 2.209 509 E HA -0.213 4.138 4.350 0.001 0.000 0.196 509 E C 1.723 178.396 176.600 0.122 0.000 0.993 509 E CA 0.762 57.281 56.400 0.198 0.000 0.819 509 E CB -0.180 29.690 29.700 0.283 0.000 0.745 509 E HN 0.516 nan 8.360 nan 0.000 0.477 510 N N 0.383 119.082 118.700 -0.002 0.000 2.258 510 N HA -0.193 4.547 4.740 0.001 0.000 0.187 510 N C 1.353 176.696 175.510 -0.280 0.000 1.012 510 N CA 0.880 53.740 53.050 -0.315 0.000 0.870 510 N CB -0.172 37.441 38.487 -1.456 0.000 0.977 510 N HN 0.414 nan 8.380 nan 0.000 0.434 511 W N 1.367 122.346 121.300 -0.536 0.000 2.374 511 W HA -0.085 4.576 4.660 0.001 0.000 0.288 511 W C 1.787 177.973 176.519 -0.554 0.000 1.218 511 W CA 0.797 57.796 57.345 -0.576 0.000 1.245 511 W CB -0.057 28.830 29.460 -0.955 0.000 1.126 511 W HN -0.073 nan 8.180 nan 0.000 0.545 512 V N -4.040 115.623 119.914 -0.419 0.000 3.630 512 V HA -0.071 4.050 4.120 0.001 0.000 0.273 512 V C 0.452 176.265 176.094 -0.469 0.000 1.248 512 V CA 0.686 62.697 62.300 -0.482 0.000 1.170 512 V CB -1.295 30.120 31.823 -0.681 0.000 0.899 512 V HN 0.151 nan 8.190 nan 0.000 0.457 513 W N -0.401 120.851 121.300 -0.079 0.000 2.653 513 W HA 0.538 5.199 4.660 0.001 0.000 0.391 513 W C 0.401 176.866 176.519 -0.090 0.000 0.962 513 W CA -0.410 56.898 57.345 -0.062 0.000 1.900 513 W CB 0.732 30.141 29.460 -0.085 0.000 1.176 513 W HN 0.071 nan 8.180 nan 0.000 0.582 514 E N 0.721 120.936 120.200 0.025 0.000 2.222 514 E HA 0.184 4.534 4.350 0.001 0.000 0.267 514 E C 0.646 177.238 176.600 -0.013 0.000 0.884 514 E CA -0.351 56.042 56.400 -0.012 0.000 0.764 514 E CB 2.066 31.700 29.700 -0.112 0.000 1.169 514 E HN 0.169 nan 8.360 nan 0.000 0.413 515 Q N 1.031 120.832 119.800 0.001 0.000 2.020 515 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 515 Q C 1.128 177.129 176.000 0.002 0.000 0.982 515 Q CA 1.473 57.278 55.803 0.003 0.000 0.838 515 Q CB 0.145 28.884 28.738 0.002 0.000 0.899 515 Q HN 0.362 nan 8.270 nan 0.000 0.423 516 E N -0.086 120.111 120.200 -0.004 0.000 2.038 516 E HA -0.150 4.200 4.350 0.001 0.000 0.195 516 E C -0.694 175.921 176.600 0.025 0.000 1.000 516 E CA 1.461 57.865 56.400 0.008 0.000 0.803 516 E CB -1.333 28.371 29.700 0.006 0.000 0.750 516 E HN 0.300 nan 8.360 nan 0.000 0.448 517 P HA -0.107 nan 4.420 nan 0.000 0.216 517 P C 1.342 178.673 177.300 0.051 0.000 1.153 517 P CA 0.980 64.119 63.100 0.066 0.000 0.848 517 P CB 0.027 31.773 31.700 0.076 0.000 0.787 518 L N -1.407 119.838 121.223 0.037 0.000 2.046 518 L HA -0.175 4.166 4.340 0.001 0.000 0.208 518 L C 2.363 179.279 176.870 0.077 0.000 1.077 518 L CA 1.337 56.239 54.840 0.103 0.000 0.747 518 L CB -0.886 41.242 42.059 0.116 0.000 0.896 518 L HN -0.024 nan 8.230 nan 0.000 0.432 519 L N -0.788 120.452 121.223 0.028 0.000 2.191 519 L HA -0.181 4.159 4.340 0.001 0.000 0.212 519 L C 2.575 179.446 176.870 0.002 0.000 1.103 519 L CA 1.050 55.885 54.840 -0.008 0.000 0.769 519 L CB -0.392 41.664 42.059 -0.005 0.000 0.908 519 L HN 0.208 nan 8.230 nan 0.000 0.438 520 R N -0.603 119.917 120.500 0.033 0.000 2.236 520 R HA 0.043 4.384 4.340 0.001 0.000 0.208 520 R C 1.534 177.866 176.300 0.053 0.000 1.036 520 R CA 0.691 56.819 56.100 0.047 0.000 1.001 520 R CB 0.042 30.377 30.300 0.060 0.000 0.896 520 R HN 0.356 nan 8.270 nan 0.000 0.464 521 M N 0.000 119.633 119.600 0.054 0.000 2.405 521 M HA 0.114 4.594 4.480 0.001 0.000 0.292 521 M C -0.307 175.972 176.300 -0.036 0.000 1.111 521 M CA -0.102 55.243 55.300 0.075 0.000 0.979 521 M CB 1.125 33.821 32.600 0.160 0.000 1.426 521 M HN -0.047 nan 8.290 nan 0.000 0.509 522 S N 0.449 116.042 115.700 -0.178 0.000 2.632 522 S HA 0.842 5.313 4.470 0.001 0.000 0.289 522 S C -0.576 173.914 174.600 -0.183 0.000 1.115 522 S CA -0.866 57.064 58.200 -0.450 0.000 0.889 522 S CB 3.127 65.777 63.200 -0.916 0.000 1.116 522 S HN 0.409 nan 8.310 nan 0.000 0.486 523 R N 0.919 121.342 120.500 -0.128 0.000 3.971 523 R HA 0.069 4.409 4.340 0.001 0.000 0.243 523 R C -1.755 174.558 176.300 0.021 0.000 1.054 523 R CA -0.393 55.719 56.100 0.019 0.000 1.243 523 R CB 0.571 30.872 30.300 0.002 0.000 1.244 523 R HN 1.016 nan 8.270 nan 0.000 0.547 524 H N 5.369 124.420 119.070 -0.033 0.000 3.125 524 H HA -0.096 4.461 4.556 0.001 0.000 0.310 524 H C 0.591 175.807 175.328 -0.187 0.000 0.980 524 H CA 1.650 57.501 56.048 -0.328 0.000 1.422 524 H CB 0.580 30.062 29.762 -0.467 0.000 1.432 524 H HN 0.668 nan 8.280 nan 0.000 0.577 525 Y N 4.613 124.623 120.300 -0.483 0.000 2.315 525 Y HA -0.165 4.386 4.550 0.001 0.000 0.288 525 Y C 2.107 177.968 175.900 -0.065 0.000 1.154 525 Y CA 1.399 59.365 58.100 -0.225 0.000 1.229 525 Y CB -0.226 38.092 38.460 -0.238 0.000 0.980 525 Y HN 0.412 nan 8.280 nan 0.000 0.540 526 R N 0.340 120.391 120.500 -0.749 0.000 2.102 526 R HA 0.002 4.343 4.340 0.001 0.000 0.208 526 R C 2.193 178.399 176.300 -0.156 0.000 1.131 526 R CA 1.518 57.336 56.100 -0.471 0.000 1.054 526 R CB -0.545 29.335 30.300 -0.700 0.000 0.954 526 R HN 0.525 nan 8.270 nan 0.000 0.465 527 T N -2.651 111.854 114.554 -0.081 0.000 3.088 527 T HA 0.092 4.443 4.350 0.001 0.000 0.259 527 T C 1.327 175.982 174.700 -0.075 0.000 1.122 527 T CA 1.035 63.034 62.100 -0.169 0.000 1.095 527 T CB 0.165 68.818 68.868 -0.359 0.000 0.930 527 T HN 0.466 nan 8.240 nan 0.000 0.508 528 G N 0.922 109.718 108.800 -0.006 0.000 2.168 528 G HA2 -0.278 3.682 3.960 0.001 0.000 0.263 528 G HA3 -0.278 3.682 3.960 0.001 0.000 0.263 528 G C 0.259 175.184 174.900 0.042 0.000 0.977 528 G CA 0.314 45.422 45.100 0.013 0.000 0.659 528 G HN 0.755 nan 8.290 nan 0.000 0.533 529 S N 0.256 115.992 115.700 0.060 0.000 2.603 529 S HA 0.668 5.138 4.470 0.001 0.000 0.268 529 S C 0.826 175.556 174.600 0.217 0.000 1.317 529 S CA 0.125 58.386 58.200 0.102 0.000 1.012 529 S CB 1.501 64.746 63.200 0.076 0.000 0.926 529 S HN 1.481 nan 8.310 nan 0.000 0.539 530 A N 1.684 124.583 122.820 0.132 0.000 2.304 530 A HA 0.518 4.838 4.320 0.001 0.000 0.271 530 A C -0.025 177.541 177.584 -0.030 0.000 1.091 530 A CA -0.635 51.445 52.037 0.071 0.000 0.812 530 A CB 0.106 19.109 19.000 0.005 0.000 1.056 530 A HN 0.626 nan 8.150 nan 0.000 0.489 531 V N 3.003 122.759 119.914 -0.264 0.000 2.599 531 V HA 0.103 4.224 4.120 0.001 0.000 0.300 531 V C -1.963 173.935 176.094 -0.327 0.000 1.034 531 V CA -0.532 61.365 62.300 -0.672 0.000 1.115 531 V CB 0.225 31.738 31.823 -0.517 0.000 0.934 531 V HN 0.745 nan 8.190 nan 0.000 0.485 532 P HA 0.168 nan 4.420 nan 0.000 0.268 532 P C 0.773 178.011 177.300 -0.104 0.000 1.204 532 P CA -0.298 62.723 63.100 -0.131 0.000 0.768 532 P CB 0.470 32.119 31.700 -0.085 0.000 0.842 533 R N 2.678 123.140 120.500 -0.063 0.000 2.139 533 R HA -0.204 4.137 4.340 0.001 0.000 0.243 533 R C 1.815 178.095 176.300 -0.034 0.000 1.145 533 R CA 1.523 57.597 56.100 -0.043 0.000 0.976 533 R CB -0.608 29.675 30.300 -0.028 0.000 0.866 533 R HN 0.645 nan 8.270 nan 0.000 0.449 534 E N 0.529 120.710 120.200 -0.031 0.000 2.110 534 E HA -0.186 4.165 4.350 0.001 0.000 0.193 534 E C 1.856 178.444 176.600 -0.020 0.000 0.988 534 E CA 0.844 57.233 56.400 -0.020 0.000 0.804 534 E CB 0.001 29.692 29.700 -0.015 0.000 0.745 534 E HN 0.078 nan 8.360 nan 0.000 0.458 535 L N 0.813 122.014 121.223 -0.037 0.000 2.109 535 L HA -0.083 4.258 4.340 0.001 0.000 0.207 535 L C 2.071 178.921 176.870 -0.033 0.000 1.086 535 L CA 1.372 56.191 54.840 -0.035 0.000 0.760 535 L CB -0.407 41.609 42.059 -0.071 0.000 0.910 535 L HN 0.214 nan 8.230 nan 0.000 0.437 536 L N -0.714 120.482 121.223 -0.044 0.000 2.046 536 L HA -0.215 4.126 4.340 0.001 0.000 0.208 536 L C 2.522 179.389 176.870 -0.005 0.000 1.077 536 L CA 1.460 56.285 54.840 -0.026 0.000 0.747 536 L CB -0.554 41.490 42.059 -0.025 0.000 0.896 536 L HN 0.353 nan 8.230 nan 0.000 0.432 537 E N 0.232 120.431 120.200 -0.002 0.000 2.038 537 E HA -0.254 4.096 4.350 0.001 0.000 0.195 537 E C 2.211 178.828 176.600 0.028 0.000 1.000 537 E CA 1.345 57.753 56.400 0.013 0.000 0.803 537 E CB -0.043 29.660 29.700 0.005 0.000 0.750 537 E HN 0.431 nan 8.360 nan 0.000 0.448 538 K N 0.501 120.916 120.400 0.024 0.000 2.063 538 K HA -0.179 4.141 4.320 0.001 0.000 0.208 538 K C 2.279 178.914 176.600 0.059 0.000 1.048 538 K CA 0.926 57.240 56.287 0.046 0.000 0.928 538 K CB -0.269 32.252 32.500 0.036 0.000 0.713 538 K HN 0.030 nan 8.250 nan 0.000 0.442 539 L N 1.775 123.008 121.223 0.018 0.000 1.989 539 L HA -0.187 4.153 4.340 0.001 0.000 0.211 539 L C 1.983 178.905 176.870 0.088 0.000 1.071 539 L CA 1.667 56.493 54.840 -0.023 0.000 0.749 539 L CB -0.369 41.603 42.059 -0.145 0.000 0.890 539 L HN 0.150 nan 8.230 nan 0.000 0.431 540 I N -0.518 120.118 120.570 0.110 0.000 2.264 540 I HA -0.262 3.908 4.170 0.001 0.000 0.248 540 I C 2.468 178.655 176.117 0.117 0.000 1.111 540 I CA 1.437 62.870 61.300 0.220 0.000 1.382 540 I CB -0.367 37.717 38.000 0.141 0.000 1.060 540 I HN 0.385 nan 8.210 nan 0.000 0.418 541 E N 1.194 121.447 120.200 0.088 0.000 2.150 541 E HA -0.191 4.160 4.350 0.001 0.000 0.193 541 E C 2.187 178.839 176.600 0.087 0.000 0.985 541 E CA 1.591 58.047 56.400 0.093 0.000 0.814 541 E CB -0.191 29.588 29.700 0.132 0.000 0.752 541 E HN 0.482 nan 8.360 nan 0.000 0.466 542 S N -0.129 115.613 115.700 0.069 0.000 2.500 542 S HA -0.169 4.302 4.470 0.001 0.000 0.239 542 S C 1.995 176.389 174.600 -0.343 0.000 0.989 542 S CA 0.845 58.952 58.200 -0.154 0.000 0.951 542 S CB -0.347 62.842 63.200 -0.019 0.000 0.759 542 S HN 0.280 nan 8.310 nan 0.000 0.523 543 R N 0.857 121.157 120.500 -0.333 0.000 2.127 543 R HA -0.064 4.277 4.340 0.001 0.000 0.238 543 R C 1.729 177.697 176.300 -0.553 0.000 1.134 543 R CA 1.475 57.137 56.100 -0.729 0.000 0.975 543 R CB -0.165 29.379 30.300 -1.261 0.000 0.865 543 R HN 0.449 nan 8.270 nan 0.000 0.447 544 Q N -0.131 119.414 119.800 -0.424 0.000 2.451 544 Q HA 0.137 4.478 4.340 0.001 0.000 0.206 544 Q C 0.251 176.040 176.000 -0.353 0.000 0.947 544 Q CA 0.558 56.169 55.803 -0.319 0.000 0.937 544 Q CB 0.273 28.917 28.738 -0.157 0.000 1.025 544 Q HN 0.276 nan 8.270 nan 0.000 0.511 545 A N 2.796 125.205 122.820 -0.685 0.000 2.561 545 A HA -0.017 4.304 4.320 0.001 0.000 0.251 545 A C 0.575 177.998 177.584 -0.269 0.000 1.062 545 A CA 0.039 51.642 52.037 -0.724 0.000 0.761 545 A CB -0.266 18.137 19.000 -0.995 0.000 0.986 545 A HN 0.492 nan 8.150 nan 0.000 0.510 546 N N 1.278 119.925 118.700 -0.088 0.000 2.678 546 N HA -0.206 4.534 4.740 0.001 0.000 0.250 546 N C 0.989 176.517 175.510 0.029 0.000 1.136 546 N CA 1.552 54.602 53.050 0.000 0.000 0.757 546 N CB -1.496 37.001 38.487 0.017 0.000 1.135 546 N HN 0.870 nan 8.380 nan 0.000 0.565 547 T N -1.032 113.506 114.554 -0.028 0.000 2.881 547 T HA -0.022 4.329 4.350 0.001 0.000 0.270 547 T C 1.884 176.641 174.700 0.096 0.000 1.068 547 T CA 1.842 63.954 62.100 0.020 0.000 1.131 547 T CB -0.252 68.559 68.868 -0.096 0.000 0.871 547 T HN 0.552 nan 8.240 nan 0.000 0.479 548 G N 0.997 109.827 108.800 0.050 0.000 2.404 548 G HA2 -0.052 3.909 3.960 0.001 0.000 0.215 548 G HA3 -0.052 3.909 3.960 0.001 0.000 0.215 548 G C 1.492 176.437 174.900 0.075 0.000 1.174 548 G CA 0.568 45.700 45.100 0.053 0.000 0.780 548 G HN 0.527 nan 8.290 nan 0.000 0.537 549 L N -0.771 120.500 121.223 0.079 0.000 2.156 549 L HA 0.118 4.458 4.340 0.001 0.000 0.208 549 L C 2.511 179.438 176.870 0.095 0.000 1.095 549 L CA 0.444 55.325 54.840 0.069 0.000 0.770 549 L CB -0.323 41.772 42.059 0.059 0.000 0.914 549 L HN 0.236 nan 8.230 nan 0.000 0.439 550 F N 1.130 121.094 119.950 0.023 0.000 2.102 550 F HA -0.198 4.329 4.527 0.001 0.000 0.298 550 F C 2.407 178.249 175.800 0.070 0.000 1.105 550 F CA 1.600 59.624 58.000 0.040 0.000 1.239 550 F CB -0.236 38.783 39.000 0.031 0.000 0.991 550 F HN 0.088 nan 8.300 nan 0.000 0.474 551 N N 0.619 119.398 118.700 0.131 0.000 2.216 551 N HA -0.102 4.638 4.740 0.001 0.000 0.183 551 N C 2.066 177.583 175.510 0.012 0.000 1.017 551 N CA 1.293 54.392 53.050 0.082 0.000 0.861 551 N CB -0.345 38.296 38.487 0.256 0.000 0.986 551 N HN 0.357 nan 8.380 nan 0.000 0.428 552 L N 0.885 122.119 121.223 0.018 0.000 2.131 552 L HA -0.103 4.237 4.340 0.001 0.000 0.210 552 L C 2.648 179.498 176.870 -0.033 0.000 1.092 552 L CA 0.873 55.714 54.840 0.002 0.000 0.759 552 L CB -0.223 41.837 42.059 0.001 0.000 0.903 552 L HN 0.131 nan 8.230 nan 0.000 0.435 553 R N -0.484 119.967 120.500 -0.082 0.000 2.073 553 R HA -0.149 4.192 4.340 0.001 0.000 0.229 553 R C 2.344 178.585 176.300 -0.098 0.000 1.120 553 R CA 0.987 57.026 56.100 -0.102 0.000 0.967 553 R CB 0.034 30.255 30.300 -0.132 0.000 0.862 553 R HN 0.289 nan 8.270 nan 0.000 0.436 554 Q N 0.552 120.262 119.800 -0.151 0.000 2.124 554 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 554 Q C 2.150 178.243 176.000 0.155 0.000 0.977 554 Q CA 1.358 57.163 55.803 0.002 0.000 0.850 554 Q CB -0.122 28.577 28.738 -0.065 0.000 0.901 554 Q HN 0.486 nan 8.270 nan 0.000 0.429 555 I N -0.194 120.435 120.570 0.098 0.000 2.252 555 I HA -0.228 3.943 4.170 0.001 0.000 0.245 555 I C 2.244 178.435 176.117 0.123 0.000 1.102 555 I CA 0.607 61.989 61.300 0.138 0.000 1.385 555 I CB -0.253 37.796 38.000 0.082 0.000 1.064 555 I HN -0.029 nan 8.210 nan 0.000 0.414 556 V N 1.187 121.134 119.914 0.055 0.000 2.287 556 V HA -0.294 3.826 4.120 0.001 0.000 0.248 556 V C 2.401 178.540 176.094 0.075 0.000 1.053 556 V CA 1.813 64.133 62.300 0.033 0.000 1.027 556 V CB -0.496 31.300 31.823 -0.044 0.000 0.646 556 V HN 0.367 nan 8.190 nan 0.000 0.447 557 L N -0.099 121.138 121.223 0.022 0.000 2.046 557 L HA -0.166 4.175 4.340 0.001 0.000 0.208 557 L C 2.719 179.656 176.870 0.111 0.000 1.077 557 L CA 1.600 56.371 54.840 -0.115 0.000 0.747 557 L CB -0.812 40.943 42.059 -0.507 0.000 0.896 557 L HN 0.374 nan 8.230 nan 0.000 0.432 558 A N 0.019 123.037 122.820 0.330 0.000 1.902 558 A HA -0.204 4.117 4.320 0.001 0.000 0.217 558 A C 2.331 180.124 177.584 0.349 0.000 1.181 558 A CA 1.575 53.916 52.037 0.505 0.000 0.623 558 A CB -0.306 19.029 19.000 0.557 0.000 0.818 558 A HN 0.308 nan 8.150 nan 0.000 0.443 559 K N -0.497 120.054 120.400 0.252 0.000 2.097 559 K HA -0.033 4.287 4.320 0.001 0.000 0.205 559 K C 1.857 178.565 176.600 0.180 0.000 1.050 559 K CA 1.248 57.650 56.287 0.193 0.000 0.938 559 K CB -0.287 32.296 32.500 0.139 0.000 0.718 559 K HN 0.299 nan 8.250 nan 0.000 0.442 560 V N 1.798 121.826 119.914 0.190 0.000 2.343 560 V HA -0.258 3.863 4.120 0.001 0.000 0.247 560 V C 2.019 178.233 176.094 0.200 0.000 1.051 560 V CA 2.158 64.572 62.300 0.189 0.000 1.036 560 V CB -0.455 31.503 31.823 0.225 0.000 0.654 560 V HN 0.378 nan 8.190 nan 0.000 0.451 561 D N -0.681 119.886 120.400 0.279 0.000 2.123 561 D HA -0.200 4.441 4.640 0.001 0.000 0.196 561 D C 2.224 178.723 176.300 0.330 0.000 0.992 561 D CA 1.309 55.500 54.000 0.318 0.000 0.833 561 D CB -0.039 40.987 40.800 0.377 0.000 0.954 561 D HN 0.314 nan 8.370 nan 0.000 0.455 562 Q N -0.095 119.864 119.800 0.265 0.000 2.083 562 Q HA 0.004 4.345 4.340 0.001 0.000 0.198 562 Q C 2.259 178.345 176.000 0.143 0.000 0.969 562 Q CA 1.262 57.188 55.803 0.206 0.000 0.838 562 Q CB -0.579 28.254 28.738 0.159 0.000 0.900 562 Q HN 0.413 nan 8.270 nan 0.000 0.436 563 A N 1.098 123.986 122.820 0.113 0.000 1.877 563 A HA -0.133 4.187 4.320 0.001 0.000 0.216 563 A C 2.218 179.811 177.584 0.014 0.000 1.186 563 A CA 1.107 53.185 52.037 0.068 0.000 0.620 563 A CB -0.755 18.287 19.000 0.070 0.000 0.822 563 A HN 0.319 nan 8.150 nan 0.000 0.443 564 L N -1.520 119.671 121.223 -0.055 0.000 2.191 564 L HA -0.156 4.184 4.340 0.001 0.000 0.212 564 L C 1.490 178.152 176.870 -0.345 0.000 1.103 564 L CA 1.223 55.922 54.840 -0.233 0.000 0.769 564 L CB -0.531 41.300 42.059 -0.380 0.000 0.908 564 L HN 0.544 nan 8.230 nan 0.000 0.438 565 H N -1.911 117.206 119.070 0.078 0.000 2.487 565 H HA 0.082 4.638 4.556 0.001 0.000 0.290 565 H C 1.277 176.650 175.328 0.075 0.000 1.081 565 H CA 0.637 56.746 56.048 0.101 0.000 1.116 565 H CB 0.358 30.223 29.762 0.172 0.000 1.560 565 H HN 0.270 nan 8.280 nan 0.000 0.548 566 T N -4.362 110.257 114.554 0.108 0.000 3.154 566 T HA 0.078 4.429 4.350 0.001 0.000 0.258 566 T C 0.762 175.499 174.700 0.062 0.000 0.899 566 T CA -0.285 61.861 62.100 0.077 0.000 0.908 566 T CB 0.316 69.225 68.868 0.070 0.000 1.260 566 T HN -0.001 nan 8.240 nan 0.000 0.521 567 Q N 1.381 121.208 119.800 0.045 0.000 2.312 567 Q HA 0.589 4.929 4.340 0.001 0.000 0.236 567 Q C 1.049 177.065 176.000 0.026 0.000 0.965 567 Q CA 0.349 56.173 55.803 0.036 0.000 0.894 567 Q CB 1.396 30.151 28.738 0.027 0.000 1.225 567 Q HN 0.216 nan 8.270 nan 0.000 0.478 568 T N 0.400 114.971 114.554 0.028 0.000 2.837 568 T HA -0.048 4.302 4.350 0.001 0.000 0.248 568 T C -0.252 174.454 174.700 0.011 0.000 1.033 568 T CA 1.279 63.393 62.100 0.022 0.000 1.150 568 T CB -0.005 68.879 68.868 0.027 0.000 0.865 568 T HN 0.789 nan 8.240 nan 0.000 0.425 569 D N 0.661 121.069 120.400 0.013 0.000 2.891 569 D HA 0.507 5.147 4.640 0.001 0.000 0.332 569 D C -0.280 176.027 176.300 0.012 0.000 1.369 569 D CA -0.506 53.500 54.000 0.009 0.000 0.827 569 D CB -0.194 40.613 40.800 0.012 0.000 1.141 569 D HN 0.344 nan 8.370 nan 0.000 0.464 570 A N 0.462 123.289 122.820 0.011 0.000 2.440 570 A HA 0.355 4.676 4.320 0.001 0.000 0.251 570 A C -0.108 177.487 177.584 0.018 0.000 1.089 570 A CA -0.446 51.602 52.037 0.018 0.000 0.779 570 A CB 0.369 19.381 19.000 0.020 0.000 1.022 570 A HN 0.289 nan 8.150 nan 0.000 0.492 571 D N 2.873 123.290 120.400 0.028 0.000 2.316 571 D HA 0.387 5.027 4.640 0.001 0.000 0.245 571 D C -1.654 174.676 176.300 0.049 0.000 1.171 571 D CA -1.571 52.449 54.000 0.034 0.000 0.856 571 D CB 1.105 41.926 40.800 0.035 0.000 1.090 571 D HN 0.158 nan 8.370 nan 0.000 0.476 572 P HA -0.239 nan 4.420 nan 0.000 0.215 572 P C 0.963 178.325 177.300 0.104 0.000 1.163 572 P CA 1.913 65.054 63.100 0.070 0.000 0.894 572 P CB 0.122 31.857 31.700 0.059 0.000 0.791 573 A N -0.272 122.602 122.820 0.089 0.000 1.883 573 A HA -0.261 4.060 4.320 0.001 0.000 0.217 573 A C 2.158 179.828 177.584 0.143 0.000 1.186 573 A CA 1.911 54.018 52.037 0.117 0.000 0.624 573 A CB -1.284 17.764 19.000 0.081 0.000 0.822 573 A HN 0.214 nan 8.150 nan 0.000 0.444 574 E N -0.671 119.586 120.200 0.095 0.000 2.072 574 E HA -0.165 4.185 4.350 0.001 0.000 0.191 574 E C 2.034 178.679 176.600 0.075 0.000 0.985 574 E CA 0.975 57.420 56.400 0.074 0.000 0.801 574 E CB -0.126 29.604 29.700 0.050 0.000 0.750 574 E HN 0.508 nan 8.360 nan 0.000 0.452 575 E N 0.399 120.652 120.200 0.089 0.000 2.077 575 E HA -0.188 4.163 4.350 0.001 0.000 0.193 575 E C 1.882 178.543 176.600 0.102 0.000 0.989 575 E CA 0.886 57.336 56.400 0.083 0.000 0.800 575 E CB -0.331 29.422 29.700 0.088 0.000 0.746 575 E HN 0.333 nan 8.360 nan 0.000 0.452 576 Y N 1.190 121.500 120.300 0.016 0.000 2.181 576 Y HA -0.216 4.335 4.550 0.001 0.000 0.288 576 Y C 2.194 178.092 175.900 -0.002 0.000 1.146 576 Y CA 1.741 59.842 58.100 0.002 0.000 1.164 576 Y CB -0.480 37.979 38.460 -0.002 0.000 0.982 576 Y HN 0.011 nan 8.280 nan 0.000 0.515 577 A N 0.648 123.464 122.820 -0.007 0.000 1.877 577 A HA -0.208 4.113 4.320 0.001 0.000 0.216 577 A C 2.420 179.933 177.584 -0.119 0.000 1.186 577 A CA 1.840 53.822 52.037 -0.093 0.000 0.620 577 A CB -0.867 18.148 19.000 0.025 0.000 0.822 577 A HN 0.545 nan 8.150 nan 0.000 0.443 578 R N -0.354 120.112 120.500 -0.057 0.000 2.073 578 R HA -0.078 4.263 4.340 0.001 0.000 0.234 578 R C 1.994 178.248 176.300 -0.077 0.000 1.134 578 R CA 1.636 57.707 56.100 -0.048 0.000 0.952 578 R CB -0.407 29.886 30.300 -0.013 0.000 0.850 578 R HN 0.526 nan 8.270 nan 0.000 0.433 579 L N -0.222 120.944 121.223 -0.095 0.000 2.093 579 L HA -0.229 4.112 4.340 0.001 0.000 0.208 579 L C 2.723 179.493 176.870 -0.166 0.000 1.085 579 L CA 0.971 55.751 54.840 -0.100 0.000 0.755 579 L CB -0.409 41.609 42.059 -0.068 0.000 0.904 579 L HN 0.382 nan 8.230 nan 0.000 0.435 580 C N -0.602 118.521 119.300 -0.295 0.000 2.429 580 C HA -0.193 4.267 4.460 0.001 0.000 0.277 580 C C 2.905 177.789 174.990 -0.178 0.000 1.262 580 C CA 1.004 59.836 59.018 -0.310 0.000 1.733 580 C CB -0.511 26.947 27.740 -0.470 0.000 2.010 580 C HN 0.528 nan 8.230 nan 0.000 0.483 581 Q N 1.119 120.833 119.800 -0.143 0.000 2.049 581 Q HA -0.106 4.234 4.340 0.001 0.000 0.198 581 Q C 1.979 177.936 176.000 -0.072 0.000 0.971 581 Q CA 1.780 57.525 55.803 -0.095 0.000 0.833 581 Q CB -0.335 28.358 28.738 -0.075 0.000 0.896 581 Q HN 0.664 nan 8.270 nan 0.000 0.434 582 E N -0.671 119.490 120.200 -0.064 0.000 2.152 582 E HA -0.066 4.284 4.350 0.001 0.000 0.192 582 E C 1.817 178.393 176.600 -0.040 0.000 0.983 582 E CA 1.109 57.483 56.400 -0.043 0.000 0.818 582 E CB 0.159 29.841 29.700 -0.031 0.000 0.758 582 E HN 0.424 nan 8.360 nan 0.000 0.467 583 I N -0.227 120.313 120.570 -0.051 0.000 2.899 583 I HA -0.084 4.086 4.170 0.001 0.000 0.257 583 I C 2.057 178.148 176.117 -0.044 0.000 1.115 583 I CA 0.079 61.355 61.300 -0.039 0.000 1.451 583 I CB 0.118 38.099 38.000 -0.031 0.000 1.251 583 I HN 0.047 nan 8.210 nan 0.000 0.456 584 L N 1.340 122.522 121.223 -0.068 0.000 2.179 584 L HA 0.189 4.529 4.340 0.001 0.000 0.208 584 L C 1.510 178.344 176.870 -0.060 0.000 1.096 584 L CA 1.843 56.644 54.840 -0.064 0.000 0.779 584 L CB -0.613 41.391 42.059 -0.091 0.000 0.922 584 L HN 0.466 nan 8.230 nan 0.000 0.443 585 G N -1.094 107.664 108.800 -0.070 0.000 2.159 585 G HA2 -0.208 3.752 3.960 0.001 0.000 0.256 585 G HA3 -0.208 3.752 3.960 0.001 0.000 0.256 585 G C 0.075 174.927 174.900 -0.079 0.000 0.977 585 G CA 0.215 45.276 45.100 -0.065 0.000 0.652 585 G HN 0.342 nan 8.290 nan 0.000 0.531 586 V N 2.505 122.361 119.914 -0.095 0.000 2.443 586 V HA 0.524 4.644 4.120 0.001 0.000 0.293 586 V C -1.711 174.309 176.094 -0.124 0.000 1.021 586 V CA -1.544 60.690 62.300 -0.111 0.000 0.848 586 V CB 2.270 34.031 31.823 -0.103 0.000 0.998 586 V HN 0.208 nan 8.190 nan 0.000 0.424 587 P HA 0.218 nan 4.420 nan 0.000 0.268 587 P C -0.355 176.903 177.300 -0.071 0.000 1.205 587 P CA 0.038 63.079 63.100 -0.099 0.000 0.771 587 P CB 1.170 32.823 31.700 -0.078 0.000 0.858 588 A N 3.272 126.058 122.820 -0.056 0.000 2.388 588 A HA 0.314 4.635 4.320 0.001 0.000 0.257 588 A C 0.486 178.132 177.584 0.103 0.000 1.095 588 A CA -0.105 51.962 52.037 0.050 0.000 0.791 588 A CB -0.528 18.521 19.000 0.082 0.000 1.029 588 A HN 0.529 nan 8.150 nan 0.000 0.489 589 T N 5.030 119.689 114.554 0.175 0.000 2.817 589 T HA 0.321 4.672 4.350 0.001 0.000 0.295 589 T C -2.290 172.504 174.700 0.157 0.000 0.958 589 T CA -0.156 62.072 62.100 0.214 0.000 1.157 589 T CB 0.092 69.146 68.868 0.309 0.000 0.898 589 T HN 0.460 nan 8.240 nan 0.000 0.536 590 P HA 0.180 nan 4.420 nan 0.000 0.265 590 P C 1.107 178.456 177.300 0.081 0.000 1.187 590 P CA 0.797 63.951 63.100 0.091 0.000 0.766 590 P CB 0.269 32.014 31.700 0.076 0.000 0.820 591 G N 1.016 109.854 108.800 0.064 0.000 2.199 591 G HA2 -0.232 3.729 3.960 0.001 0.000 0.254 591 G HA3 -0.232 3.729 3.960 0.001 0.000 0.254 591 G C 0.439 175.367 174.900 0.047 0.000 0.982 591 G CA 0.489 45.617 45.100 0.047 0.000 0.632 591 G HN 0.831 nan 8.290 nan 0.000 0.529 592 T N -2.174 112.422 114.554 0.070 0.000 2.862 592 T HA 0.642 4.993 4.350 0.001 0.000 0.276 592 T C -0.077 174.652 174.700 0.048 0.000 0.974 592 T CA -0.032 62.105 62.100 0.061 0.000 0.966 592 T CB 2.128 71.056 68.868 0.099 0.000 1.072 592 T HN 0.502 nan 8.240 nan 0.000 0.538 593 N N 0.788 119.492 118.700 0.007 0.000 2.839 593 N HA 0.081 4.822 4.740 0.001 0.000 0.230 593 N C 0.528 175.976 175.510 -0.103 0.000 1.388 593 N CA -0.425 52.612 53.050 -0.022 0.000 0.747 593 N CB 0.990 39.472 38.487 -0.007 0.000 1.411 593 N HN 0.727 nan 8.380 nan 0.000 0.556 594 M N 2.022 121.479 119.600 -0.239 0.000 2.108 594 M HA 0.044 4.525 4.480 0.001 0.000 0.261 594 M C -1.189 174.937 176.300 -0.290 0.000 1.066 594 M CA 1.879 56.949 55.300 -0.383 0.000 1.107 594 M CB -1.291 30.796 32.600 -0.854 0.000 1.356 594 M HN 0.168 nan 8.290 nan 0.000 0.406 595 P HA -0.076 nan 4.420 nan 0.000 0.218 595 P C 0.977 178.414 177.300 0.228 0.000 1.148 595 P CA 2.014 65.130 63.100 0.027 0.000 0.822 595 P CB -0.344 31.377 31.700 0.035 0.000 0.784 596 A N -0.837 122.060 122.820 0.128 0.000 2.216 596 A HA -0.081 4.240 4.320 0.001 0.000 0.214 596 A C 1.858 179.453 177.584 0.018 0.000 1.160 596 A CA 1.893 54.021 52.037 0.151 0.000 0.725 596 A CB -1.355 17.649 19.000 0.007 0.000 0.784 596 A HN 0.341 nan 8.150 nan 0.000 0.472 597 T N -5.362 109.234 114.554 0.069 0.000 3.040 597 T HA 0.257 4.608 4.350 0.001 0.000 0.266 597 T C 0.152 175.026 174.700 0.291 0.000 1.005 597 T CA -0.375 61.724 62.100 -0.003 0.000 0.906 597 T CB -0.282 68.485 68.868 -0.168 0.000 1.082 597 T HN 0.090 nan 8.240 nan 0.000 0.531 598 F N 3.850 123.936 119.950 0.227 0.000 2.651 598 F HA 0.576 5.104 4.527 0.001 0.000 0.347 598 F C 1.503 177.519 175.800 0.360 0.000 1.284 598 F CA -1.913 56.218 58.000 0.218 0.000 1.175 598 F CB -0.310 38.734 39.000 0.073 0.000 1.542 598 F HN 0.218 nan 8.300 nan 0.000 0.661 599 G N 2.968 112.113 108.800 0.576 0.000 2.469 599 G HA2 -0.339 3.622 3.960 0.001 0.000 0.220 599 G HA3 -0.339 3.622 3.960 0.001 0.000 0.220 599 G C 1.417 176.375 174.900 0.098 0.000 1.136 599 G CA 0.952 46.276 45.100 0.373 0.000 0.759 599 G HN 0.686 nan 8.290 nan 0.000 0.562 600 H N 0.143 119.148 119.070 -0.108 0.000 2.422 600 H HA 0.030 4.587 4.556 0.001 0.000 0.298 600 H C 2.537 177.724 175.328 -0.235 0.000 1.098 600 H CA 1.024 56.967 56.048 -0.175 0.000 1.315 600 H CB -0.211 29.392 29.762 -0.265 0.000 1.382 600 H HN 0.314 nan 8.280 nan 0.000 0.523 601 L N -0.772 120.217 121.223 -0.389 0.000 2.265 601 L HA -0.068 4.273 4.340 0.001 0.000 0.215 601 L C 1.750 178.461 176.870 -0.265 0.000 1.117 601 L CA 0.980 55.638 54.840 -0.305 0.000 0.782 601 L CB -0.090 41.740 42.059 -0.383 0.000 0.914 601 L HN 0.291 nan 8.230 nan 0.000 0.441 602 A N -0.862 121.792 122.820 -0.276 0.000 2.609 602 A HA 0.476 4.796 4.320 0.001 0.000 0.286 602 A C 1.241 178.806 177.584 -0.032 0.000 1.138 602 A CA 0.322 52.238 52.037 -0.200 0.000 0.960 602 A CB 0.110 18.921 19.000 -0.315 0.000 1.208 602 A HN 0.251 nan 8.150 nan 0.000 0.541 603 G N -1.494 107.322 108.800 0.027 0.000 3.863 603 G HA2 0.446 4.407 3.960 0.001 0.000 0.290 603 G HA3 0.446 4.407 3.960 0.001 0.000 0.290 603 G C 0.973 175.925 174.900 0.086 0.000 1.018 603 G CA 0.224 45.378 45.100 0.091 0.000 0.824 603 G HN 1.466 nan 8.290 nan 0.000 0.507 604 G N -0.455 108.341 108.800 -0.007 0.000 2.176 604 G HA2 -0.341 3.619 3.960 0.001 0.000 0.253 604 G HA3 -0.341 3.619 3.960 0.001 0.000 0.253 604 G C 0.632 175.372 174.900 -0.266 0.000 0.979 604 G CA 0.531 45.539 45.100 -0.153 0.000 0.641 604 G HN 0.447 nan 8.290 nan 0.000 0.530 605 Y N 2.167 122.449 120.300 -0.031 0.000 2.485 605 Y HA 0.219 4.770 4.550 0.001 0.000 0.260 605 Y C 1.199 177.091 175.900 -0.014 0.000 1.173 605 Y CA -0.514 57.590 58.100 0.007 0.000 1.252 605 Y CB 0.246 38.815 38.460 0.180 0.000 1.123 605 Y HN 0.425 nan 8.280 nan 0.000 0.524 606 D N 0.843 121.258 120.400 0.024 0.000 2.520 606 D HA 0.090 4.731 4.640 0.001 0.000 0.243 606 D C 1.191 177.363 176.300 -0.213 0.000 1.160 606 D CA 1.038 54.955 54.000 -0.139 0.000 0.877 606 D CB 1.227 41.874 40.800 -0.255 0.000 1.150 606 D HN 0.318 nan 8.370 nan 0.000 0.494 607 A N 2.981 125.724 122.820 -0.127 0.000 3.383 607 A HA -0.286 4.035 4.320 0.001 0.000 0.264 607 A C 1.106 178.782 177.584 0.153 0.000 1.154 607 A CA 1.425 53.466 52.037 0.007 0.000 1.179 607 A CB -2.012 16.876 19.000 -0.187 0.000 1.133 607 A HN 0.703 nan 8.150 nan 0.000 0.933 608 Q N -2.666 117.235 119.800 0.167 0.000 2.149 608 Q HA 0.231 4.571 4.340 0.001 0.000 0.221 608 Q C 1.102 177.104 176.000 0.003 0.000 0.807 608 Q CA 0.241 56.113 55.803 0.115 0.000 1.000 608 Q CB 0.113 28.805 28.738 -0.077 0.000 1.157 608 Q HN 0.748 nan 8.270 nan 0.000 0.487 609 Y N 1.390 121.779 120.300 0.150 0.000 2.207 609 Y HA -0.352 4.198 4.550 0.001 0.000 0.287 609 Y C 2.156 178.132 175.900 0.127 0.000 1.156 609 Y CA 2.087 60.298 58.100 0.185 0.000 1.182 609 Y CB -0.167 38.482 38.460 0.314 0.000 0.979 609 Y HN 0.344 nan 8.280 nan 0.000 0.521 610 Y N -1.780 118.662 120.300 0.236 0.000 2.384 610 Y HA -0.058 4.492 4.550 0.001 0.000 0.289 610 Y C 2.240 178.189 175.900 0.081 0.000 1.152 610 Y CA 0.753 58.980 58.100 0.210 0.000 1.258 610 Y CB -1.319 37.256 38.460 0.192 0.000 0.979 610 Y HN 0.005 nan 8.280 nan 0.000 0.549 611 G N 0.118 108.118 108.800 -1.333 0.000 2.475 611 G HA2 -0.316 3.644 3.960 0.001 0.000 0.220 611 G HA3 -0.316 3.644 3.960 0.001 0.000 0.220 611 G C 1.210 175.867 174.900 -0.405 0.000 1.125 611 G CA 1.174 45.655 45.100 -1.033 0.000 0.755 611 G HN 0.633 nan 8.290 nan 0.000 0.565 612 Y N 0.170 120.310 120.300 -0.266 0.000 2.145 612 Y HA -0.013 4.538 4.550 0.001 0.000 0.286 612 Y C 2.796 178.691 175.900 -0.010 0.000 1.145 612 Y CA 0.797 58.818 58.100 -0.131 0.000 1.148 612 Y CB -0.205 38.102 38.460 -0.255 0.000 0.981 612 Y HN 0.082 nan 8.280 nan 0.000 0.507 613 L N -1.495 119.848 121.223 0.200 0.000 2.109 613 L HA -0.231 4.109 4.340 0.001 0.000 0.207 613 L C 2.445 179.420 176.870 0.175 0.000 1.086 613 L CA 0.834 55.794 54.840 0.201 0.000 0.760 613 L CB -0.581 41.674 42.059 0.326 0.000 0.910 613 L HN 0.498 nan 8.230 nan 0.000 0.437 614 W N 1.504 122.744 121.300 -0.100 0.000 2.333 614 W HA -0.282 4.378 4.660 0.001 0.000 0.316 614 W C 2.773 179.193 176.519 -0.163 0.000 1.215 614 W CA 2.397 59.520 57.345 -0.371 0.000 1.278 614 W CB -0.350 28.891 29.460 -0.366 0.000 1.154 614 W HN 0.368 nan 8.180 nan 0.000 0.486 615 S N -0.194 115.650 115.700 0.240 0.000 2.368 615 S HA -0.265 4.206 4.470 0.001 0.000 0.224 615 S C 1.752 176.435 174.600 0.138 0.000 1.029 615 S CA 1.521 59.859 58.200 0.229 0.000 0.988 615 S CB -0.824 62.489 63.200 0.189 0.000 0.838 615 S HN 0.477 nan 8.310 nan 0.000 0.462 616 E N 0.837 121.097 120.200 0.100 0.000 2.047 616 E HA -0.099 4.251 4.350 0.001 0.000 0.191 616 E C 1.988 178.587 176.600 -0.002 0.000 0.987 616 E CA 1.285 57.748 56.400 0.105 0.000 0.799 616 E CB -0.184 29.601 29.700 0.141 0.000 0.752 616 E HN 0.427 nan 8.360 nan 0.000 0.449 617 V N 0.381 120.103 119.914 -0.320 0.000 2.255 617 V HA -0.283 3.837 4.120 0.001 0.000 0.247 617 V C 1.983 178.022 176.094 -0.091 0.000 1.051 617 V CA 1.998 63.974 62.300 -0.541 0.000 1.018 617 V CB -0.719 30.660 31.823 -0.740 0.000 0.641 617 V HN 0.420 nan 8.190 nan 0.000 0.445 618 Y N 0.750 121.044 120.300 -0.010 0.000 2.439 618 Y HA -0.163 4.388 4.550 0.001 0.000 0.292 618 Y C 2.774 178.790 175.900 0.194 0.000 1.130 618 Y CA 0.658 58.793 58.100 0.059 0.000 1.254 618 Y CB -0.223 38.209 38.460 -0.047 0.000 1.000 618 Y HN 0.437 nan 8.280 nan 0.000 0.554 619 S N -0.104 115.793 115.700 0.329 0.000 2.423 619 S HA -0.232 4.239 4.470 0.001 0.000 0.231 619 S C 1.834 176.666 174.600 0.387 0.000 1.014 619 S CA 1.122 59.520 58.200 0.331 0.000 0.965 619 S CB -0.353 62.994 63.200 0.244 0.000 0.785 619 S HN 0.423 nan 8.310 nan 0.000 0.495 620 M N 2.271 122.099 119.600 0.378 0.000 2.319 620 M HA 0.079 4.560 4.480 0.001 0.000 0.265 620 M C 1.468 178.027 176.300 0.432 0.000 1.068 620 M CA 1.391 56.942 55.300 0.418 0.000 1.118 620 M CB -0.742 32.102 32.600 0.406 0.000 1.395 620 M HN 0.242 nan 8.290 nan 0.000 0.435 621 D N -0.312 120.325 120.400 0.395 0.000 2.117 621 D HA -0.134 4.507 4.640 0.001 0.000 0.198 621 D C 1.874 178.394 176.300 0.367 0.000 0.982 621 D CA 1.499 55.707 54.000 0.348 0.000 0.828 621 D CB -0.070 40.920 40.800 0.317 0.000 0.967 621 D HN 0.409 nan 8.370 nan 0.000 0.464 622 M N -0.774 119.098 119.600 0.454 0.000 2.080 622 M HA -0.137 4.344 4.480 0.001 0.000 0.260 622 M C 2.072 178.750 176.300 0.630 0.000 1.068 622 M CA 1.284 56.944 55.300 0.601 0.000 1.109 622 M CB -0.410 32.578 32.600 0.647 0.000 1.342 622 M HN 0.046 nan 8.290 nan 0.000 0.405 623 F N 0.029 120.247 119.950 0.445 0.000 2.084 623 F HA -0.213 4.315 4.527 0.001 0.000 0.296 623 F C 2.490 178.473 175.800 0.304 0.000 1.111 623 F CA 2.167 60.412 58.000 0.408 0.000 1.224 623 F CB -0.672 38.489 39.000 0.268 0.000 0.991 623 F HN 0.128 nan 8.300 nan 0.000 0.471 624 H N -0.462 118.643 119.070 0.059 0.000 2.321 624 H HA -0.091 4.466 4.556 0.001 0.000 0.300 624 H C 2.152 177.407 175.328 -0.121 0.000 1.087 624 H CA 2.561 58.544 56.048 -0.109 0.000 1.319 624 H CB -0.568 29.232 29.762 0.063 0.000 1.379 624 H HN 0.245 nan 8.280 nan 0.000 0.501 625 T N 0.889 115.435 114.554 -0.012 0.000 2.788 625 T HA -0.077 4.274 4.350 0.001 0.000 0.268 625 T C 1.858 176.414 174.700 -0.240 0.000 1.044 625 T CA 1.280 63.312 62.100 -0.113 0.000 1.139 625 T CB 0.138 68.995 68.868 -0.019 0.000 0.867 625 T HN 0.236 nan 8.240 nan 0.000 0.454 626 R N -0.288 120.062 120.500 -0.250 0.000 2.084 626 R HA 0.323 4.663 4.340 0.001 0.000 0.209 626 R C 2.134 178.190 176.300 -0.407 0.000 1.173 626 R CA 0.566 56.419 56.100 -0.412 0.000 1.053 626 R CB -1.102 28.782 30.300 -0.694 0.000 0.948 626 R HN 0.385 nan 8.270 nan 0.000 0.460 627 F N 1.684 121.493 119.950 -0.235 0.000 2.206 627 F HA -0.064 4.464 4.527 0.001 0.000 0.298 627 F C 2.338 177.823 175.800 -0.524 0.000 1.090 627 F CA 1.111 58.924 58.000 -0.311 0.000 1.323 627 F CB -0.057 38.785 39.000 -0.264 0.000 1.028 627 F HN -0.062 nan 8.300 nan 0.000 0.492 628 K N -0.057 119.986 120.400 -0.595 0.000 2.155 628 K HA -0.078 4.242 4.320 0.001 0.000 0.203 628 K C 1.932 178.313 176.600 -0.365 0.000 1.052 628 K CA 0.959 56.917 56.287 -0.549 0.000 0.948 628 K CB -0.087 32.028 32.500 -0.642 0.000 0.728 628 K HN 0.065 nan 8.250 nan 0.000 0.448 629 Q N -0.127 119.455 119.800 -0.364 0.000 2.212 629 Q HA -0.001 4.340 4.340 0.001 0.000 0.199 629 Q C 0.892 176.776 176.000 -0.193 0.000 0.950 629 Q CA 1.138 56.779 55.803 -0.269 0.000 0.863 629 Q CB 0.387 28.963 28.738 -0.270 0.000 0.944 629 Q HN 0.440 nan 8.270 nan 0.000 0.465 630 E N -0.447 119.634 120.200 -0.198 0.000 2.498 630 E HA 0.345 4.696 4.350 0.001 0.000 0.203 630 E C -0.223 176.322 176.600 -0.091 0.000 1.013 630 E CA 0.189 56.501 56.400 -0.146 0.000 0.927 630 E CB 1.105 30.699 29.700 -0.178 0.000 1.012 630 E HN 0.262 nan 8.360 nan 0.000 0.482 631 G N 0.589 109.342 108.800 -0.079 0.000 3.306 631 G HA2 -0.154 3.807 3.960 0.001 0.000 0.672 631 G HA3 -0.154 3.807 3.960 0.001 0.000 0.672 631 G C 0.324 175.279 174.900 0.091 0.000 1.212 631 G CA -0.673 44.421 45.100 -0.009 0.000 1.150 631 G HN 0.002 nan 8.290 nan 0.000 0.509 632 V N 2.198 122.130 119.914 0.030 0.000 2.568 632 V HA -0.094 4.026 4.120 0.001 0.000 0.253 632 V C 2.190 178.432 176.094 0.245 0.000 1.072 632 V CA 2.193 64.501 62.300 0.013 0.000 1.084 632 V CB -0.294 31.374 31.823 -0.259 0.000 0.676 632 V HN 0.637 nan 8.190 nan 0.000 0.469 633 L N -0.062 121.288 121.223 0.211 0.000 3.066 633 L HA 0.329 4.670 4.340 0.001 0.000 0.265 633 L C 0.467 177.464 176.870 0.212 0.000 1.232 633 L CA -0.187 54.807 54.840 0.257 0.000 1.031 633 L CB 0.063 42.223 42.059 0.167 0.000 1.379 633 L HN 0.207 nan 8.230 nan 0.000 0.563 634 N N 0.690 119.524 118.700 0.223 0.000 2.430 634 N HA -0.002 4.738 4.740 0.001 0.000 0.265 634 N C 1.182 176.805 175.510 0.188 0.000 1.100 634 N CA 0.297 53.437 53.050 0.151 0.000 0.961 634 N CB 1.608 40.146 38.487 0.086 0.000 1.075 634 N HN 0.185 nan 8.380 nan 0.000 0.478 635 S N 3.816 119.601 115.700 0.142 0.000 2.447 635 S HA -0.065 4.406 4.470 0.001 0.000 0.233 635 S C 1.366 176.043 174.600 0.129 0.000 1.006 635 S CA 0.732 59.019 58.200 0.145 0.000 0.957 635 S CB 0.021 63.282 63.200 0.102 0.000 0.773 635 S HN 0.602 nan 8.310 nan 0.000 0.507 636 K N 0.902 121.355 120.400 0.088 0.000 2.057 636 K HA 0.022 4.343 4.320 0.001 0.000 0.206 636 K C 2.072 178.706 176.600 0.056 0.000 1.050 636 K CA 1.429 57.752 56.287 0.060 0.000 0.935 636 K CB -0.481 32.034 32.500 0.026 0.000 0.715 636 K HN 0.294 nan 8.250 nan 0.000 0.439 637 V N 0.860 120.785 119.914 0.018 0.000 2.379 637 V HA -0.137 3.984 4.120 0.001 0.000 0.245 637 V C 2.399 178.536 176.094 0.072 0.000 1.044 637 V CA 2.083 64.318 62.300 -0.108 0.000 1.036 637 V CB -0.982 30.593 31.823 -0.413 0.000 0.664 637 V HN 0.473 nan 8.190 nan 0.000 0.453 638 G N -0.057 108.916 108.800 0.289 0.000 2.442 638 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 638 G HA3 -0.246 3.715 3.960 0.001 0.000 0.219 638 G C 1.504 176.628 174.900 0.374 0.000 1.141 638 G CA 1.061 46.453 45.100 0.488 0.000 0.763 638 G HN 0.337 nan 8.290 nan 0.000 0.554 639 M N 0.877 120.620 119.600 0.238 0.000 2.254 639 M HA 0.048 4.529 4.480 0.001 0.000 0.265 639 M C 1.811 178.221 176.300 0.183 0.000 1.066 639 M CA 0.689 56.098 55.300 0.181 0.000 1.123 639 M CB -0.842 31.833 32.600 0.124 0.000 1.388 639 M HN 0.075 nan 8.290 nan 0.000 0.425 640 D N -0.588 119.940 120.400 0.213 0.000 2.144 640 D HA -0.159 4.481 4.640 0.001 0.000 0.200 640 D C 1.876 178.381 176.300 0.342 0.000 0.978 640 D CA 0.985 55.134 54.000 0.249 0.000 0.833 640 D CB -0.362 40.578 40.800 0.234 0.000 0.961 640 D HN 0.384 nan 8.370 nan 0.000 0.470 641 Y N 1.889 122.353 120.300 0.273 0.000 2.145 641 Y HA -0.183 4.367 4.550 0.001 0.000 0.286 641 Y C 2.412 178.301 175.900 -0.019 0.000 1.145 641 Y CA 1.836 59.950 58.100 0.024 0.000 1.148 641 Y CB -0.227 38.402 38.460 0.282 0.000 0.981 641 Y HN -0.199 nan 8.280 nan 0.000 0.507 642 R N -0.461 120.047 120.500 0.013 0.000 2.091 642 R HA -0.184 4.157 4.340 0.001 0.000 0.238 642 R C 2.628 178.868 176.300 -0.101 0.000 1.136 642 R CA 1.803 57.838 56.100 -0.107 0.000 0.959 642 R CB -0.705 29.633 30.300 0.064 0.000 0.856 642 R HN 0.402 nan 8.270 nan 0.000 0.437 643 S N -0.793 114.904 115.700 -0.004 0.000 2.357 643 S HA -0.103 4.368 4.470 0.001 0.000 0.221 643 S C 2.000 176.598 174.600 -0.005 0.000 1.031 643 S CA 1.214 59.422 58.200 0.014 0.000 0.982 643 S CB -0.235 63.000 63.200 0.059 0.000 0.853 643 S HN 0.614 nan 8.310 nan 0.000 0.458 644 C N 0.993 120.296 119.300 0.005 0.000 2.492 644 C HA 0.260 4.720 4.460 0.001 0.000 0.279 644 C C 2.349 177.289 174.990 -0.085 0.000 1.335 644 C CA -0.056 58.972 59.018 0.017 0.000 1.734 644 C CB -0.972 26.875 27.740 0.178 0.000 2.027 644 C HN 0.559 nan 8.230 nan 0.000 0.496 645 I N 0.288 120.696 120.570 -0.270 0.000 2.729 645 I HA 0.078 4.248 4.170 0.001 0.000 0.256 645 I C 2.196 178.115 176.117 -0.330 0.000 1.115 645 I CA 1.332 62.444 61.300 -0.313 0.000 1.446 645 I CB -1.339 36.323 38.000 -0.563 0.000 1.176 645 I HN 0.254 nan 8.210 nan 0.000 0.446 646 L N 0.137 121.079 121.223 -0.469 0.000 2.102 646 L HA 0.013 4.354 4.340 0.001 0.000 0.202 646 L C 2.726 179.580 176.870 -0.027 0.000 1.076 646 L CA 0.731 55.377 54.840 -0.323 0.000 0.761 646 L CB -0.619 41.229 42.059 -0.351 0.000 0.921 646 L HN 0.151 nan 8.230 nan 0.000 0.444 647 R N 0.665 121.139 120.500 -0.042 0.000 2.103 647 R HA -0.175 4.166 4.340 0.001 0.000 0.242 647 R C -0.483 175.852 176.300 0.058 0.000 1.142 647 R CA 1.815 57.929 56.100 0.023 0.000 0.960 647 R CB -0.993 29.316 30.300 0.015 0.000 0.858 647 R HN 0.260 nan 8.270 nan 0.000 0.439 648 P HA 0.042 nan 4.420 nan 0.000 0.221 648 P C 0.649 178.013 177.300 0.106 0.000 1.150 648 P CA 1.432 64.569 63.100 0.062 0.000 0.800 648 P CB 0.027 31.743 31.700 0.027 0.000 0.787 649 G N -0.342 108.562 108.800 0.173 0.000 2.574 649 G HA2 -0.241 3.720 3.960 0.001 0.000 0.286 649 G HA3 -0.241 3.720 3.960 0.001 0.000 0.286 649 G C 0.988 175.993 174.900 0.174 0.000 1.212 649 G CA -0.035 45.182 45.100 0.197 0.000 0.979 649 G HN 0.405 nan 8.290 nan 0.000 0.557 650 G N -0.220 108.686 108.800 0.177 0.000 3.371 650 G HA2 0.435 4.396 3.960 0.001 0.000 0.248 650 G HA3 0.435 4.396 3.960 0.001 0.000 0.248 650 G C 1.546 176.265 174.900 -0.302 0.000 1.161 650 G CA 1.442 46.593 45.100 0.085 0.000 0.796 650 G HN 1.787 nan 8.290 nan 0.000 0.539 651 S N -0.781 114.769 115.700 -0.251 0.000 2.561 651 S HA 0.184 4.654 4.470 0.001 0.000 0.225 651 S C 0.469 174.864 174.600 -0.342 0.000 0.977 651 S CA -0.034 57.874 58.200 -0.487 0.000 0.926 651 S CB 0.273 63.425 63.200 -0.080 0.000 0.769 651 S HN 0.419 nan 8.310 nan 0.000 0.533 652 E N 0.867 120.936 120.200 -0.219 0.000 2.314 652 E HA 0.354 4.705 4.350 0.001 0.000 0.272 652 E C -1.633 174.879 176.600 -0.146 0.000 0.884 652 E CA -0.988 55.320 56.400 -0.153 0.000 0.753 652 E CB 1.221 30.870 29.700 -0.085 0.000 1.213 652 E HN 0.142 nan 8.360 nan 0.000 0.432 653 D N 1.090 121.408 120.400 -0.137 0.000 2.423 653 D HA 0.049 4.690 4.640 0.001 0.000 0.238 653 D C 0.893 177.079 176.300 -0.190 0.000 1.142 653 D CA 0.182 54.101 54.000 -0.135 0.000 0.884 653 D CB 1.188 41.925 40.800 -0.104 0.000 1.199 653 D HN 0.587 nan 8.370 nan 0.000 0.438 654 A N 1.994 124.648 122.820 -0.277 0.000 1.908 654 A HA -0.213 4.108 4.320 0.001 0.000 0.218 654 A C 2.119 179.451 177.584 -0.420 0.000 1.181 654 A CA 2.212 53.877 52.037 -0.619 0.000 0.627 654 A CB -0.699 17.758 19.000 -0.906 0.000 0.818 654 A HN 0.595 nan 8.150 nan 0.000 0.445 655 S N 0.197 115.768 115.700 -0.215 0.000 2.383 655 S HA -0.015 4.455 4.470 0.001 0.000 0.229 655 S C 2.043 176.585 174.600 -0.097 0.000 1.030 655 S CA 1.444 59.572 58.200 -0.120 0.000 1.002 655 S CB -0.670 62.500 63.200 -0.051 0.000 0.829 655 S HN 0.927 nan 8.310 nan 0.000 0.467 656 A N 1.814 124.577 122.820 -0.096 0.000 1.929 656 A HA 0.228 4.549 4.320 0.001 0.000 0.216 656 A C 2.354 179.910 177.584 -0.047 0.000 1.176 656 A CA 1.309 53.310 52.037 -0.060 0.000 0.628 656 A CB -0.659 18.307 19.000 -0.057 0.000 0.816 656 A HN 0.568 nan 8.150 nan 0.000 0.444 657 M N -0.631 118.917 119.600 -0.086 0.000 2.132 657 M HA -0.059 4.421 4.480 0.001 0.000 0.263 657 M C 2.083 178.405 176.300 0.037 0.000 1.065 657 M CA 1.264 56.540 55.300 -0.042 0.000 1.122 657 M CB -0.477 32.067 32.600 -0.094 0.000 1.365 657 M HN 0.352 nan 8.290 nan 0.000 0.411 658 L N -0.564 120.653 121.223 -0.009 0.000 2.056 658 L HA -0.182 4.158 4.340 0.001 0.000 0.207 658 L C 2.713 179.649 176.870 0.110 0.000 1.078 658 L CA 1.175 56.078 54.840 0.105 0.000 0.749 658 L CB -0.599 41.475 42.059 0.026 0.000 0.901 658 L HN 0.309 nan 8.230 nan 0.000 0.433 659 R N 0.306 120.827 120.500 0.035 0.000 2.105 659 R HA -0.161 4.180 4.340 0.001 0.000 0.239 659 R C 2.427 178.757 176.300 0.049 0.000 1.135 659 R CA 1.382 57.498 56.100 0.026 0.000 0.967 659 R CB -0.008 30.292 30.300 0.001 0.000 0.861 659 R HN 0.305 nan 8.270 nan 0.000 0.442 660 R N -0.996 119.548 120.500 0.073 0.000 2.090 660 R HA -0.099 4.241 4.340 0.001 0.000 0.228 660 R C 2.121 178.508 176.300 0.145 0.000 1.110 660 R CA 1.240 57.392 56.100 0.086 0.000 0.973 660 R CB -0.343 30.006 30.300 0.083 0.000 0.869 660 R HN 0.207 nan 8.270 nan 0.000 0.440 661 F N 1.276 121.247 119.950 0.035 0.000 2.163 661 F HA -0.006 4.521 4.527 0.001 0.000 0.297 661 F C 1.737 177.565 175.800 0.047 0.000 1.094 661 F CA 1.237 59.273 58.000 0.061 0.000 1.290 661 F CB 0.037 39.113 39.000 0.126 0.000 1.017 661 F HN -0.140 nan 8.300 nan 0.000 0.483 662 L N -0.957 120.284 121.223 0.030 0.000 2.375 662 L HA 0.246 4.586 4.340 0.001 0.000 0.215 662 L C 1.866 178.692 176.870 -0.072 0.000 1.108 662 L CA 0.735 55.530 54.840 -0.075 0.000 0.830 662 L CB -0.734 41.347 42.059 0.036 0.000 0.959 662 L HN 0.329 nan 8.230 nan 0.000 0.457 663 G N 1.356 110.138 108.800 -0.030 0.000 2.143 663 G HA2 -0.271 3.689 3.960 0.001 0.000 0.249 663 G HA3 -0.271 3.689 3.960 0.001 0.000 0.249 663 G C 0.284 175.175 174.900 -0.016 0.000 0.981 663 G CA 0.481 45.564 45.100 -0.029 0.000 0.665 663 G HN 0.556 nan 8.290 nan 0.000 0.528 664 R N -1.738 118.758 120.500 -0.006 0.000 2.780 664 R HA 0.503 4.844 4.340 0.001 0.000 0.280 664 R C -1.816 174.479 176.300 -0.008 0.000 1.016 664 R CA -0.986 55.110 56.100 -0.005 0.000 0.854 664 R CB 0.037 30.335 30.300 -0.004 0.000 1.293 664 R HN -0.041 nan 8.270 nan 0.000 0.483 665 D N 2.164 122.553 120.400 -0.018 0.000 2.372 665 D HA 0.250 4.891 4.640 0.001 0.000 0.243 665 D C -1.912 174.345 176.300 -0.072 0.000 1.121 665 D CA -0.889 53.081 54.000 -0.050 0.000 0.898 665 D CB 0.876 41.649 40.800 -0.045 0.000 1.202 665 D HN 0.287 nan 8.370 nan 0.000 0.428 666 P HA 0.125 nan 4.420 nan 0.000 0.272 666 P C -0.542 176.674 177.300 -0.140 0.000 1.230 666 P CA -0.164 62.811 63.100 -0.208 0.000 0.788 666 P CB 1.331 32.710 31.700 -0.535 0.000 0.949 667 K N 0.625 121.075 120.400 0.085 0.000 2.466 667 K HA 0.249 4.570 4.320 0.001 0.000 0.260 667 K C 1.004 177.804 176.600 0.333 0.000 1.011 667 K CA -0.709 55.701 56.287 0.205 0.000 0.871 667 K CB 1.630 34.205 32.500 0.124 0.000 1.404 667 K HN 0.312 nan 8.250 nan 0.000 0.450 668 Q N 0.464 120.412 119.800 0.247 0.000 2.425 668 Q HA -0.057 4.283 4.340 0.001 0.000 0.204 668 Q C 0.201 176.303 176.000 0.171 0.000 0.933 668 Q CA 0.709 56.612 55.803 0.167 0.000 0.939 668 Q CB 0.095 28.857 28.738 0.040 0.000 1.044 668 Q HN 0.504 nan 8.270 nan 0.000 0.513 669 D N 1.825 122.307 120.400 0.137 0.000 2.126 669 D HA -0.236 4.405 4.640 0.001 0.000 0.190 669 D C 1.837 178.179 176.300 0.070 0.000 1.001 669 D CA 1.859 55.914 54.000 0.091 0.000 0.841 669 D CB -0.208 40.639 40.800 0.078 0.000 0.949 669 D HN 0.320 nan 8.370 nan 0.000 0.446 670 A N -0.118 122.764 122.820 0.103 0.000 1.902 670 A HA -0.159 4.161 4.320 0.001 0.000 0.217 670 A C 2.121 179.736 177.584 0.052 0.000 1.181 670 A CA 1.219 53.270 52.037 0.024 0.000 0.623 670 A CB -1.038 18.054 19.000 0.152 0.000 0.818 670 A HN 0.277 nan 8.150 nan 0.000 0.443 671 F N 0.708 120.666 119.950 0.014 0.000 2.095 671 F HA -0.171 4.357 4.527 0.001 0.000 0.298 671 F C 1.941 177.721 175.800 -0.034 0.000 1.104 671 F CA 1.901 59.902 58.000 0.002 0.000 1.232 671 F CB -0.317 38.688 39.000 0.010 0.000 0.987 671 F HN 0.148 nan 8.300 nan 0.000 0.475 672 L N -0.500 120.751 121.223 0.046 0.000 2.046 672 L HA -0.204 4.137 4.340 0.001 0.000 0.208 672 L C 2.426 179.213 176.870 -0.138 0.000 1.077 672 L CA 0.951 55.750 54.840 -0.069 0.000 0.747 672 L CB -0.934 41.141 42.059 0.027 0.000 0.896 672 L HN 0.272 nan 8.230 nan 0.000 0.432 673 L N 0.213 121.366 121.223 -0.117 0.000 2.083 673 L HA -0.202 4.138 4.340 0.001 0.000 0.209 673 L C 2.775 179.537 176.870 -0.180 0.000 1.083 673 L CA 2.163 56.917 54.840 -0.144 0.000 0.752 673 L CB -0.637 41.310 42.059 -0.187 0.000 0.899 673 L HN 0.375 nan 8.230 nan 0.000 0.433 674 S N -1.641 113.926 115.700 -0.220 0.000 2.447 674 S HA -0.115 4.355 4.470 0.001 0.000 0.233 674 S C 1.698 176.146 174.600 -0.254 0.000 1.006 674 S CA 0.640 58.708 58.200 -0.219 0.000 0.957 674 S CB -0.490 62.579 63.200 -0.219 0.000 0.773 674 S HN 0.425 nan 8.310 nan 0.000 0.507 675 K N 0.809 121.032 120.400 -0.294 0.000 2.404 675 K HA 0.270 4.591 4.320 0.001 0.000 0.194 675 K C 1.398 177.904 176.600 -0.155 0.000 1.023 675 K CA 0.613 56.743 56.287 -0.262 0.000 1.094 675 K CB -0.320 31.993 32.500 -0.312 0.000 0.841 675 K HN 0.606 nan 8.250 nan 0.000 0.523 676 G N 1.389 110.111 108.800 -0.130 0.000 2.141 676 G HA2 -0.246 3.715 3.960 0.001 0.000 0.242 676 G HA3 -0.246 3.715 3.960 0.001 0.000 0.242 676 G C 0.145 175.004 174.900 -0.069 0.000 0.982 676 G CA 0.072 45.121 45.100 -0.085 0.000 0.662 676 G HN 0.200 nan 8.290 nan 0.000 0.527 677 L N 0.000 121.177 121.223 -0.077 0.000 2.949 677 L HA 0.000 4.341 4.340 0.001 0.000 0.249 677 L CA 0.000 54.808 54.840 -0.053 0.000 0.813 677 L CB 0.000 42.029 42.059 -0.050 0.000 0.961 677 L HN 0.000 nan 8.230 nan 0.000 0.502