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 2gsm_1_A DATA FIRST_RESID 17 DATA SEQUENCE FTRWFMSTNH KDIGVLYLFT GGLVGLISVA FTVYMRMELM APGVQFMcAE DATA SEQUENCE HLESGLVKGF FQSLWPSAVE NcTPNGHLWN VMITGHGILM MFFVVIPALF DATA SEQUENCE GGFGNYFMPL HIGAPDMAFP RMNNLSYWLY VAGTSLAVAS LFAPGGNGQL DATA SEQUENCE GSGIGWVLYP PLSTSESGYS TDLAIFAVHL SGASSILGAI NMITTFLNMR DATA SEQUENCE APGMTMHKVP LFAWSIFVTA WLILLALPVL AGAITMLLTD RNFGTTFFQP DATA SEQUENCE SGGGDPVLYQ HILWFFGHPE VYIIVLPAFG IVSHVIATFA KKPIFGYLPM DATA SEQUENCE VYAMVAIGVL GFVVWAHHMY TAGLSLTQQS YFMMATMVIA VPTGIKIFSW DATA SEQUENCE IATMWGGSIE LKTPMLWALG FLFLFTVGGV TGIVLSQASV DRYYHDTYYV DATA SEQUENCE VAHFHYVMSL GAVFGIFAGI YFWIGKMSGR QYPEWAGKLH FWMMFVGANL DATA SEQUENCE TFFPQHFLGR QGMPRRYIDY PEAFATWNFV SSLGAFLSFA SFLFFLGVIF DATA SEQUENCE YTLTRGARVT ANNYWNEHAD TLEWTLTSPP PEHTF 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 17 F HA 0.000 nan 4.527 nan 0.000 0.279 17 F C 0.000 175.945 175.800 0.242 0.000 0.967 17 F CA 0.000 58.106 58.000 0.176 0.000 1.383 17 F CB 0.000 39.063 39.000 0.105 0.000 1.145 18 T N -2.050 112.594 114.554 0.149 0.000 2.975 18 T HA 0.360 4.630 4.350 -0.133 0.000 0.257 18 T C 1.099 175.886 174.700 0.146 0.000 1.003 18 T CA -0.049 62.227 62.100 0.293 0.000 0.932 18 T CB 0.021 69.129 68.868 0.399 0.000 1.087 18 T HN 0.291 nan 8.240 nan 0.000 0.512 19 R N -0.172 120.150 120.500 -0.297 0.000 2.325 19 R HA 0.203 4.463 4.340 -0.133 0.000 0.214 19 R C 0.933 177.132 176.300 -0.169 0.000 0.961 19 R CA -0.024 55.938 56.100 -0.230 0.000 1.086 19 R CB -0.330 29.696 30.300 -0.456 0.000 1.037 19 R HN 0.438 nan 8.270 nan 0.000 0.493 20 W N -0.619 120.560 121.300 -0.202 0.000 2.465 20 W HA -0.092 4.483 4.660 -0.140 0.000 0.268 20 W C 0.869 177.162 176.519 -0.378 0.000 1.242 20 W CA 0.946 58.089 57.345 -0.336 0.000 1.248 20 W CB 0.136 29.310 29.460 -0.477 0.000 1.118 20 W HN 0.057 nan 8.180 nan 0.000 0.587 21 F N -2.311 117.765 119.950 0.211 0.000 2.717 21 F HA 0.070 4.525 4.527 -0.120 0.000 0.295 21 F C 1.857 177.884 175.800 0.378 0.000 1.117 21 F CA 0.552 58.721 58.000 0.282 0.000 1.361 21 F CB -0.183 39.151 39.000 0.557 0.000 1.112 21 F HN -0.257 nan 8.300 nan 0.000 0.594 22 M N -0.639 119.184 119.600 0.372 0.000 2.431 22 M HA 0.176 4.576 4.480 -0.133 0.000 0.237 22 M C 0.762 177.126 176.300 0.107 0.000 1.130 22 M CA 0.129 55.589 55.300 0.266 0.000 1.002 22 M CB -0.824 31.873 32.600 0.162 0.000 1.524 22 M HN -0.105 nan 8.290 nan 0.000 0.482 23 S N 0.968 116.671 115.700 0.004 0.000 2.576 23 S HA 0.202 4.592 4.470 -0.133 0.000 0.276 23 S C 1.312 175.884 174.600 -0.047 0.000 1.339 23 S CA 0.148 58.283 58.200 -0.109 0.000 1.039 23 S CB 0.680 63.703 63.200 -0.294 0.000 0.902 23 S HN 0.559 nan 8.310 nan 0.000 0.516 24 T N 0.860 115.382 114.554 -0.053 0.000 3.044 24 T HA 0.234 4.504 4.350 -0.133 0.000 0.260 24 T C 0.510 175.187 174.700 -0.038 0.000 1.019 24 T CA -0.432 61.666 62.100 -0.003 0.000 0.921 24 T CB -0.335 68.553 68.868 0.034 0.000 1.053 24 T HN 0.557 nan 8.240 nan 0.000 0.533 25 N N 2.160 120.783 118.700 -0.127 0.000 2.497 25 N HA -0.009 4.651 4.740 -0.133 0.000 0.268 25 N C 1.258 176.646 175.510 -0.204 0.000 1.171 25 N CA 0.201 53.145 53.050 -0.178 0.000 0.948 25 N CB 0.868 39.158 38.487 -0.328 0.000 1.069 25 N HN 0.660 nan 8.380 nan 0.000 0.460 26 H N 3.097 122.038 119.070 -0.215 0.000 2.426 26 H HA -0.078 4.398 4.556 -0.134 0.000 0.298 26 H C 1.194 176.324 175.328 -0.331 0.000 1.107 26 H CA 1.468 57.382 56.048 -0.223 0.000 1.298 26 H CB 0.259 29.887 29.762 -0.224 0.000 1.377 26 H HN 0.526 nan 8.280 nan 0.000 0.519 27 K N 0.223 119.947 120.400 -1.128 0.000 2.062 27 K HA -0.092 4.147 4.320 -0.133 0.000 0.205 27 K C 1.572 177.915 176.600 -0.428 0.000 1.051 27 K CA 1.235 56.830 56.287 -1.153 0.000 0.941 27 K CB 0.115 31.792 32.500 -1.371 0.000 0.719 27 K HN 0.392 nan 8.250 nan 0.000 0.440 28 D N 1.136 121.321 120.400 -0.357 0.000 2.117 28 D HA -0.126 4.434 4.640 -0.133 0.000 0.198 28 D C 1.925 178.211 176.300 -0.024 0.000 0.982 28 D CA 0.884 54.791 54.000 -0.155 0.000 0.828 28 D CB -0.069 40.450 40.800 -0.468 0.000 0.967 28 D HN 0.059 nan 8.370 nan 0.000 0.464 29 I N 1.335 121.841 120.570 -0.106 0.000 2.179 29 I HA -0.140 3.950 4.170 -0.133 0.000 0.242 29 I C 2.629 178.795 176.117 0.082 0.000 1.088 29 I CA 1.175 62.443 61.300 -0.054 0.000 1.357 29 I CB -1.650 36.383 38.000 0.055 0.000 1.051 29 I HN -0.013 nan 8.210 nan 0.000 0.409 30 G N 0.709 109.552 108.800 0.072 0.000 2.440 30 G HA2 -0.186 3.694 3.960 -0.133 0.000 0.218 30 G HA3 -0.186 3.694 3.960 -0.133 0.000 0.218 30 G C 1.875 176.824 174.900 0.082 0.000 1.154 30 G CA 1.074 46.241 45.100 0.111 0.000 0.767 30 G HN 0.282 nan 8.290 nan 0.000 0.552 31 V N 0.845 120.815 119.914 0.094 0.000 2.343 31 V HA -0.118 3.922 4.120 -0.133 0.000 0.247 31 V C 2.934 179.018 176.094 -0.016 0.000 1.051 31 V CA 1.475 63.782 62.300 0.012 0.000 1.036 31 V CB -0.412 31.503 31.823 0.155 0.000 0.654 31 V HN 0.350 nan 8.190 nan 0.000 0.451 32 L N -1.625 119.559 121.223 -0.065 0.000 2.042 32 L HA -0.230 4.030 4.340 -0.133 0.000 0.210 32 L C 2.469 179.334 176.870 -0.008 0.000 1.076 32 L CA 1.976 56.661 54.840 -0.260 0.000 0.749 32 L CB -0.651 40.862 42.059 -0.910 0.000 0.893 32 L HN 0.305 nan 8.230 nan 0.000 0.432 33 Y N -0.294 120.032 120.300 0.043 0.000 2.181 33 Y HA -0.268 4.206 4.550 -0.128 0.000 0.288 33 Y C 2.486 178.447 175.900 0.103 0.000 1.146 33 Y CA 1.207 59.435 58.100 0.213 0.000 1.164 33 Y CB -0.093 38.416 38.460 0.083 0.000 0.982 33 Y HN 0.065 nan 8.280 nan 0.000 0.515 34 L N -1.810 119.463 121.223 0.083 0.000 2.017 34 L HA -0.255 4.005 4.340 -0.133 0.000 0.208 34 L C 2.127 178.983 176.870 -0.023 0.000 1.073 34 L CA 1.255 56.023 54.840 -0.120 0.000 0.745 34 L CB -0.560 41.260 42.059 -0.398 0.000 0.894 34 L HN 0.184 nan 8.230 nan 0.000 0.432 35 F N 0.177 120.136 119.950 0.015 0.000 2.134 35 F HA -0.219 4.228 4.527 -0.134 0.000 0.299 35 F C 2.698 178.562 175.800 0.107 0.000 1.097 35 F CA 1.741 59.751 58.000 0.017 0.000 1.264 35 F CB -1.083 37.863 39.000 -0.090 0.000 1.001 35 F HN 0.037 nan 8.300 nan 0.000 0.479 36 T N -0.909 113.873 114.554 0.380 0.000 2.777 36 T HA -0.107 4.163 4.350 -0.133 0.000 0.266 36 T C 2.351 177.278 174.700 0.379 0.000 1.040 36 T CA 1.357 63.672 62.100 0.358 0.000 1.141 36 T CB -1.057 68.074 68.868 0.439 0.000 0.868 36 T HN 0.400 nan 8.240 nan 0.000 0.444 37 G N 1.009 110.058 108.800 0.415 0.000 2.422 37 G HA2 -0.047 3.833 3.960 -0.133 0.000 0.218 37 G HA3 -0.047 3.833 3.960 -0.133 0.000 0.218 37 G C 1.714 176.774 174.900 0.267 0.000 1.146 37 G CA 0.914 46.221 45.100 0.344 0.000 0.769 37 G HN 0.564 nan 8.290 nan 0.000 0.547 38 G N 0.813 109.773 108.800 0.267 0.000 2.418 38 G HA2 -0.109 3.771 3.960 -0.133 0.000 0.217 38 G HA3 -0.109 3.771 3.960 -0.133 0.000 0.217 38 G C 1.743 176.851 174.900 0.348 0.000 1.158 38 G CA 1.099 46.396 45.100 0.329 0.000 0.771 38 G HN 0.469 nan 8.290 nan 0.000 0.545 39 L N 0.810 122.202 121.223 0.281 0.000 2.044 39 L HA 0.075 4.335 4.340 -0.133 0.000 0.205 39 L C 2.806 179.786 176.870 0.182 0.000 1.075 39 L CA 1.419 56.393 54.840 0.224 0.000 0.747 39 L CB -0.514 41.645 42.059 0.167 0.000 0.903 39 L HN 0.045 nan 8.230 nan 0.000 0.435 40 V N 0.716 120.734 119.914 0.173 0.000 2.407 40 V HA -0.209 3.831 4.120 -0.133 0.000 0.248 40 V C 2.704 178.861 176.094 0.105 0.000 1.055 40 V CA 1.750 64.125 62.300 0.124 0.000 1.049 40 V CB -1.898 30.036 31.823 0.185 0.000 0.662 40 V HN 0.647 nan 8.190 nan 0.000 0.455 41 G N 0.147 109.042 108.800 0.160 0.000 2.440 41 G HA2 -0.287 3.593 3.960 -0.133 0.000 0.218 41 G HA3 -0.287 3.593 3.960 -0.133 0.000 0.218 41 G C 1.580 176.535 174.900 0.091 0.000 1.154 41 G CA 1.253 46.416 45.100 0.104 0.000 0.767 41 G HN 0.453 nan 8.290 nan 0.000 0.552 42 L N 0.880 122.275 121.223 0.286 0.000 2.012 42 L HA -0.019 4.241 4.340 -0.133 0.000 0.210 42 L C 2.709 179.678 176.870 0.166 0.000 1.073 42 L CA 1.465 56.540 54.840 0.391 0.000 0.748 42 L CB -0.469 41.865 42.059 0.458 0.000 0.891 42 L HN 0.304 nan 8.230 nan 0.000 0.431 43 I N -1.352 119.236 120.570 0.030 0.000 2.163 43 I HA -0.317 3.773 4.170 -0.133 0.000 0.243 43 I C 2.662 178.474 176.117 -0.508 0.000 1.085 43 I CA 1.647 62.829 61.300 -0.196 0.000 1.347 43 I CB -0.584 37.286 38.000 -0.217 0.000 1.044 43 I HN 0.339 nan 8.210 nan 0.000 0.408 44 S N 0.289 115.780 115.700 -0.349 0.000 2.368 44 S HA -0.118 4.272 4.470 -0.133 0.000 0.224 44 S C 2.102 176.654 174.600 -0.081 0.000 1.029 44 S CA 1.097 59.134 58.200 -0.271 0.000 0.988 44 S CB -0.190 63.011 63.200 0.001 0.000 0.838 44 S HN 0.214 nan 8.310 nan 0.000 0.462 45 V N 2.200 122.081 119.914 -0.055 0.000 2.332 45 V HA -0.184 3.856 4.120 -0.133 0.000 0.248 45 V C 2.812 178.849 176.094 -0.096 0.000 1.055 45 V CA 1.818 64.088 62.300 -0.050 0.000 1.038 45 V CB -1.319 30.471 31.823 -0.054 0.000 0.651 45 V HN 0.603 nan 8.190 nan 0.000 0.450 46 A N -0.202 122.585 122.820 -0.055 0.000 1.908 46 A HA -0.206 4.034 4.320 -0.133 0.000 0.218 46 A C 2.058 179.692 177.584 0.084 0.000 1.181 46 A CA 1.863 53.847 52.037 -0.088 0.000 0.627 46 A CB -0.678 18.370 19.000 0.080 0.000 0.818 46 A HN 0.450 nan 8.150 nan 0.000 0.445 47 F N 1.195 121.113 119.950 -0.052 0.000 2.120 47 F HA -0.192 4.255 4.527 -0.134 0.000 0.300 47 F C 3.009 178.724 175.800 -0.141 0.000 1.095 47 F CA 1.608 59.579 58.000 -0.048 0.000 1.249 47 F CB -1.681 37.301 39.000 -0.029 0.000 0.995 47 F HN 0.455 nan 8.300 nan 0.000 0.480 48 T N -2.220 112.293 114.554 -0.069 0.000 2.915 48 T HA -0.079 4.191 4.350 -0.133 0.000 0.269 48 T C 2.089 176.725 174.700 -0.107 0.000 1.071 48 T CA 1.237 63.210 62.100 -0.212 0.000 1.132 48 T CB -0.998 67.667 68.868 -0.339 0.000 0.878 48 T HN 0.067 nan 8.240 nan 0.000 0.479 49 V N 0.437 120.284 119.914 -0.113 0.000 2.295 49 V HA -0.113 3.927 4.120 -0.133 0.000 0.246 49 V C 2.320 178.446 176.094 0.052 0.000 1.049 49 V CA 1.810 64.073 62.300 -0.063 0.000 1.024 49 V CB -0.955 30.635 31.823 -0.389 0.000 0.648 49 V HN 0.524 nan 8.190 nan 0.000 0.447 50 Y N 0.236 120.464 120.300 -0.121 0.000 2.200 50 Y HA -0.229 4.241 4.550 -0.133 0.000 0.290 50 Y C 2.456 178.310 175.900 -0.077 0.000 1.137 50 Y CA 1.623 59.638 58.100 -0.142 0.000 1.163 50 Y CB -0.474 37.920 38.460 -0.110 0.000 0.988 50 Y HN 0.180 nan 8.280 nan 0.000 0.518 51 M N -0.355 119.178 119.600 -0.112 0.000 2.088 51 M HA -0.306 4.094 4.480 -0.133 0.000 0.256 51 M C 2.135 178.515 176.300 0.134 0.000 1.071 51 M CA 1.985 57.243 55.300 -0.071 0.000 1.097 51 M CB -0.303 32.173 32.600 -0.207 0.000 1.315 51 M HN 0.052 nan 8.290 nan 0.000 0.406 52 R N -0.450 120.075 120.500 0.042 0.000 2.193 52 R HA 0.038 4.298 4.340 -0.133 0.000 0.213 52 R C 1.988 178.332 176.300 0.073 0.000 1.055 52 R CA 0.992 57.097 56.100 0.009 0.000 0.995 52 R CB -0.426 29.770 30.300 -0.173 0.000 0.893 52 R HN 0.497 nan 8.270 nan 0.000 0.459 53 M N 0.317 119.957 119.600 0.065 0.000 2.067 53 M HA -0.185 4.215 4.480 -0.133 0.000 0.260 53 M C 2.107 178.311 176.300 -0.160 0.000 1.069 53 M CA 1.696 56.913 55.300 -0.139 0.000 1.117 53 M CB -0.206 31.992 32.600 -0.671 0.000 1.334 53 M HN -0.095 nan 8.290 nan 0.000 0.407 54 E N 0.636 120.735 120.200 -0.168 0.000 2.106 54 E HA -0.101 4.169 4.350 -0.133 0.000 0.192 54 E C 1.665 178.341 176.600 0.126 0.000 0.984 54 E CA 1.184 57.638 56.400 0.089 0.000 0.806 54 E CB -0.234 29.522 29.700 0.093 0.000 0.750 54 E HN 0.472 nan 8.360 nan 0.000 0.458 55 L N 0.092 121.405 121.223 0.150 0.000 2.554 55 L HA 0.088 4.348 4.340 -0.133 0.000 0.226 55 L C 2.326 179.349 176.870 0.255 0.000 1.137 55 L CA 0.214 55.182 54.840 0.214 0.000 0.863 55 L CB -0.281 41.865 42.059 0.145 0.000 0.985 55 L HN 0.290 nan 8.230 nan 0.000 0.451 56 M N 0.159 119.874 119.600 0.192 0.000 2.202 56 M HA -0.081 4.319 4.480 -0.133 0.000 0.262 56 M C 0.663 177.182 176.300 0.365 0.000 1.063 56 M CA 1.334 56.762 55.300 0.213 0.000 1.097 56 M CB 0.180 32.912 32.600 0.219 0.000 1.382 56 M HN 0.232 nan 8.290 nan 0.000 0.413 57 A N 0.400 123.406 122.820 0.311 0.000 2.515 57 A HA 0.713 4.953 4.320 -0.133 0.000 0.298 57 A C -2.721 174.863 177.584 -0.001 0.000 1.059 57 A CA -1.477 50.699 52.037 0.231 0.000 0.698 57 A CB 0.847 19.950 19.000 0.172 0.000 1.289 57 A HN 0.134 nan 8.150 nan 0.000 0.404 58 P HA 0.430 nan 4.420 nan 0.000 0.270 58 P C 0.506 177.647 177.300 -0.266 0.000 1.223 58 P CA 1.461 64.257 63.100 -0.507 0.000 0.785 58 P CB 0.643 32.171 31.700 -0.286 0.000 0.923 59 G N -0.038 108.590 108.800 -0.286 0.000 2.722 59 G HA2 -0.070 3.810 3.960 -0.133 0.000 0.686 59 G HA3 -0.070 3.810 3.960 -0.133 0.000 0.686 59 G C -0.952 173.861 174.900 -0.145 0.000 1.282 59 G CA -0.721 44.277 45.100 -0.169 0.000 0.817 59 G HN 0.442 nan 8.290 nan 0.000 0.605 60 V N 2.348 122.197 119.914 -0.108 0.000 2.432 60 V HA 0.500 4.540 4.120 -0.133 0.000 0.275 60 V C 0.885 176.949 176.094 -0.049 0.000 1.043 60 V CA 0.401 62.665 62.300 -0.060 0.000 0.925 60 V CB 1.442 33.233 31.823 -0.053 0.000 0.985 60 V HN 0.873 nan 8.190 nan 0.000 0.466 61 Q N 2.262 122.043 119.800 -0.032 0.000 2.245 61 Q HA 0.357 4.617 4.340 -0.133 0.000 0.250 61 Q C 0.828 176.662 176.000 -0.277 0.000 0.830 61 Q CA 0.413 56.096 55.803 -0.200 0.000 0.950 61 Q CB 0.593 29.117 28.738 -0.356 0.000 1.124 61 Q HN 0.794 nan 8.270 nan 0.000 0.502 62 F N -0.786 119.218 119.950 0.089 0.000 2.537 62 F HA 0.302 4.749 4.527 -0.133 0.000 0.277 62 F C 0.773 176.743 175.800 0.283 0.000 1.013 62 F CA 0.121 58.240 58.000 0.199 0.000 1.332 62 F CB 0.505 39.578 39.000 0.122 0.000 1.108 62 F HN -0.122 nan 8.300 nan 0.000 0.679 63 M N 1.699 121.509 119.600 0.350 0.000 3.422 63 M HA 0.182 4.582 4.480 -0.133 0.000 0.248 63 M C -1.196 175.185 176.300 0.136 0.000 1.433 63 M CA -0.171 55.298 55.300 0.283 0.000 1.592 63 M CB -0.449 32.289 32.600 0.230 0.000 1.078 63 M HN 0.078 nan 8.290 nan 0.000 0.578 64 c N 0.726 119.345 118.600 0.032 0.000 2.330 64 c HA 0.485 4.975 4.570 -0.133 0.000 0.344 64 c C 1.910 175.898 174.090 -0.170 0.000 1.273 64 c CA -0.700 55.514 56.329 -0.193 0.000 1.879 64 c CB 0.688 42.877 42.510 -0.534 0.000 2.376 64 c HN 0.907 nan 8.230 nan 0.000 0.534 65 A N 1.995 124.768 122.820 -0.079 0.000 2.024 65 A HA -0.168 4.072 4.320 -0.133 0.000 0.220 65 A C 1.873 179.432 177.584 -0.042 0.000 1.164 65 A CA 1.770 53.791 52.037 -0.026 0.000 0.643 65 A CB -0.372 18.621 19.000 -0.011 0.000 0.806 65 A HN 0.925 nan 8.150 nan 0.000 0.451 66 E N -0.317 119.810 120.200 -0.122 0.000 2.160 66 E HA -0.186 4.084 4.350 -0.133 0.000 0.195 66 E C 1.655 178.272 176.600 0.028 0.000 0.991 66 E CA 1.374 57.729 56.400 -0.074 0.000 0.810 66 E CB -0.359 29.278 29.700 -0.105 0.000 0.742 66 E HN 0.742 nan 8.360 nan 0.000 0.466 67 H N -0.362 118.758 119.070 0.083 0.000 2.545 67 H HA 0.015 4.491 4.556 -0.133 0.000 0.282 67 H C 1.780 177.163 175.328 0.093 0.000 1.020 67 H CA 0.647 56.753 56.048 0.097 0.000 1.243 67 H CB -0.216 29.619 29.762 0.121 0.000 1.377 67 H HN 0.206 nan 8.280 nan 0.000 0.581 68 L N 0.311 121.636 121.223 0.169 0.000 2.291 68 L HA -0.066 4.194 4.340 -0.133 0.000 0.214 68 L C 1.769 178.701 176.870 0.103 0.000 1.120 68 L CA 0.833 55.749 54.840 0.126 0.000 0.799 68 L CB -0.022 42.089 42.059 0.088 0.000 0.925 68 L HN 0.074 nan 8.230 nan 0.000 0.446 69 E N -0.093 120.165 120.200 0.097 0.000 2.476 69 E HA 0.107 4.377 4.350 -0.133 0.000 0.191 69 E C 0.551 177.202 176.600 0.085 0.000 1.064 69 E CA 0.013 56.459 56.400 0.077 0.000 0.866 69 E CB 0.367 30.103 29.700 0.060 0.000 0.952 69 E HN 0.364 nan 8.360 nan 0.000 0.492 70 S N -0.525 115.240 115.700 0.108 0.000 2.690 70 S HA 0.545 4.935 4.470 -0.133 0.000 0.285 70 S C 0.704 175.364 174.600 0.100 0.000 1.135 70 S CA -0.556 57.707 58.200 0.105 0.000 1.020 70 S CB 1.020 64.296 63.200 0.127 0.000 1.159 70 S HN 0.233 nan 8.310 nan 0.000 0.534 71 G N -0.229 108.630 108.800 0.099 0.000 2.699 71 G HA2 0.294 4.174 3.960 -0.133 0.000 0.246 71 G HA3 0.294 4.174 3.960 -0.133 0.000 0.246 71 G C 0.702 175.672 174.900 0.116 0.000 1.219 71 G CA -0.383 44.775 45.100 0.097 0.000 0.866 71 G HN 0.536 nan 8.290 nan 0.000 0.572 72 L N 0.994 122.280 121.223 0.106 0.000 2.017 72 L HA -0.081 4.179 4.340 -0.133 0.000 0.208 72 L C 2.922 179.874 176.870 0.137 0.000 1.073 72 L CA 1.492 56.406 54.840 0.123 0.000 0.745 72 L CB -0.285 41.832 42.059 0.097 0.000 0.894 72 L HN 0.337 nan 8.230 nan 0.000 0.432 73 V N -0.422 119.562 119.914 0.117 0.000 2.270 73 V HA -0.301 3.739 4.120 -0.133 0.000 0.245 73 V C 2.564 178.832 176.094 0.290 0.000 1.043 73 V CA 2.134 64.530 62.300 0.160 0.000 1.014 73 V CB -0.616 31.299 31.823 0.152 0.000 0.645 73 V HN 0.438 nan 8.190 nan 0.000 0.447 74 K N 0.131 120.673 120.400 0.237 0.000 2.026 74 K HA -0.148 4.092 4.320 -0.133 0.000 0.208 74 K C 2.211 178.927 176.600 0.193 0.000 1.048 74 K CA 1.607 58.035 56.287 0.234 0.000 0.929 74 K CB -0.743 31.846 32.500 0.148 0.000 0.713 74 K HN 0.496 nan 8.250 nan 0.000 0.439 75 G N 0.799 109.696 108.800 0.162 0.000 2.469 75 G HA2 -0.317 3.563 3.960 -0.133 0.000 0.219 75 G HA3 -0.317 3.563 3.960 -0.133 0.000 0.219 75 G C 1.333 176.281 174.900 0.079 0.000 1.150 75 G CA 0.993 46.172 45.100 0.131 0.000 0.763 75 G HN 0.429 nan 8.290 nan 0.000 0.561 76 F N 0.793 120.724 119.950 -0.031 0.000 2.065 76 F HA -0.050 4.399 4.527 -0.131 0.000 0.298 76 F C 2.186 177.881 175.800 -0.175 0.000 1.112 76 F CA 1.480 59.388 58.000 -0.153 0.000 1.212 76 F CB -0.342 38.510 39.000 -0.247 0.000 0.975 76 F HN 0.099 nan 8.300 nan 0.000 0.476 77 F N 0.831 120.674 119.950 -0.178 0.000 2.325 77 F HA -0.081 4.367 4.527 -0.133 0.000 0.299 77 F C 2.531 178.201 175.800 -0.217 0.000 1.090 77 F CA 1.358 59.195 58.000 -0.272 0.000 1.392 77 F CB -0.926 38.063 39.000 -0.018 0.000 1.053 77 F HN 0.100 nan 8.300 nan 0.000 0.521 78 Q N -0.591 119.182 119.800 -0.044 0.000 2.172 78 Q HA -0.125 4.135 4.340 -0.133 0.000 0.200 78 Q C 2.266 178.034 176.000 -0.386 0.000 0.964 78 Q CA 1.561 57.248 55.803 -0.194 0.000 0.855 78 Q CB -0.194 28.367 28.738 -0.294 0.000 0.918 78 Q HN 0.393 nan 8.270 nan 0.000 0.444 79 S N -0.240 115.195 115.700 -0.441 0.000 2.555 79 S HA 0.007 4.397 4.470 -0.133 0.000 0.230 79 S C 1.554 176.290 174.600 0.227 0.000 0.978 79 S CA 0.429 58.562 58.200 -0.111 0.000 0.934 79 S CB -0.052 63.182 63.200 0.057 0.000 0.766 79 S HN 0.287 nan 8.310 nan 0.000 0.533 80 L N -0.429 120.838 121.223 0.073 0.000 2.567 80 L HA 0.347 4.607 4.340 -0.133 0.000 0.225 80 L C 0.845 178.010 176.870 0.491 0.000 1.119 80 L CA -0.148 54.808 54.840 0.193 0.000 0.871 80 L CB 0.104 42.118 42.059 -0.075 0.000 1.036 80 L HN 0.495 nan 8.230 nan 0.000 0.459 81 W N 3.105 124.537 121.300 0.220 0.000 2.478 81 W HA 0.319 4.898 4.660 -0.134 0.000 0.318 81 W C -2.355 174.142 176.519 -0.037 0.000 1.062 81 W CA -1.921 55.513 57.345 0.149 0.000 1.210 81 W CB 1.918 31.410 29.460 0.053 0.000 1.325 81 W HN -0.235 nan 8.180 nan 0.000 0.496 82 P HA 0.076 nan 4.420 nan 0.000 0.271 82 P C -0.621 176.525 177.300 -0.257 0.000 1.216 82 P CA 0.215 62.822 63.100 -0.822 0.000 0.776 82 P CB 1.490 32.675 31.700 -0.859 0.000 0.881 83 S N 0.745 116.320 115.700 -0.208 0.000 2.621 83 S HA 0.622 5.012 4.470 -0.133 0.000 0.302 83 S C 0.068 174.615 174.600 -0.090 0.000 1.093 83 S CA -0.597 57.574 58.200 -0.048 0.000 1.017 83 S CB 1.436 64.641 63.200 0.009 0.000 1.077 83 S HN 0.653 nan 8.310 nan 0.000 0.517 84 A N 1.204 124.001 122.820 -0.039 0.000 2.483 84 A HA 0.283 4.523 4.320 -0.133 0.000 0.238 84 A C 1.379 178.932 177.584 -0.050 0.000 1.070 84 A CA -0.380 51.631 52.037 -0.042 0.000 0.770 84 A CB -0.153 18.836 19.000 -0.018 0.000 1.008 84 A HN 0.693 nan 8.150 nan 0.000 0.497 85 V N 1.878 121.759 119.914 -0.054 0.000 2.324 85 V HA -0.234 3.806 4.120 -0.133 0.000 0.250 85 V C 2.440 178.509 176.094 -0.043 0.000 1.060 85 V CA 2.419 64.686 62.300 -0.054 0.000 1.042 85 V CB -0.928 30.862 31.823 -0.055 0.000 0.650 85 V HN 0.987 nan 8.190 nan 0.000 0.450 86 E N 0.326 120.506 120.200 -0.033 0.000 2.333 86 E HA -0.184 4.086 4.350 -0.133 0.000 0.198 86 E C 1.054 177.640 176.600 -0.023 0.000 1.007 86 E CA 0.933 57.318 56.400 -0.025 0.000 0.845 86 E CB -0.556 29.133 29.700 -0.018 0.000 0.766 86 E HN 0.633 nan 8.360 nan 0.000 0.507 87 N N -0.100 118.586 118.700 -0.024 0.000 2.203 87 N HA 0.052 4.712 4.740 -0.133 0.000 0.207 87 N C -0.688 174.797 175.510 -0.043 0.000 1.130 87 N CA -0.049 52.989 53.050 -0.021 0.000 0.861 87 N CB 0.624 39.110 38.487 -0.002 0.000 1.005 87 N HN 0.053 nan 8.380 nan 0.000 0.507 88 c N 1.714 120.282 118.600 -0.055 0.000 2.386 88 c HA 0.366 4.856 4.570 -0.133 0.000 0.318 88 c C 0.038 174.088 174.090 -0.067 0.000 1.128 88 c CA -0.332 55.950 56.329 -0.080 0.000 1.438 88 c CB -0.996 41.469 42.510 -0.075 0.000 1.987 88 c HN 0.165 nan 8.230 nan 0.000 0.426 89 T N 8.425 122.937 114.554 -0.069 0.000 2.752 89 T HA 0.231 4.501 4.350 -0.133 0.000 0.295 89 T C -2.459 172.217 174.700 -0.040 0.000 0.923 89 T CA -0.290 61.782 62.100 -0.048 0.000 1.112 89 T CB 0.608 69.453 68.868 -0.038 0.000 0.884 89 T HN 0.541 nan 8.240 nan 0.000 0.525 90 P HA 0.074 nan 4.420 nan 0.000 0.264 90 P C -0.161 177.144 177.300 0.008 0.000 1.193 90 P CA -0.147 62.941 63.100 -0.019 0.000 0.763 90 P CB 0.300 31.976 31.700 -0.041 0.000 0.810 91 N N 2.529 121.256 118.700 0.044 0.000 2.816 91 N HA 0.182 4.842 4.740 -0.133 0.000 0.236 91 N C 1.464 177.048 175.510 0.123 0.000 1.076 91 N CA -0.259 52.841 53.050 0.084 0.000 0.902 91 N CB -0.173 38.378 38.487 0.106 0.000 1.149 91 N HN 0.364 nan 8.380 nan 0.000 0.506 92 G N 0.783 109.643 108.800 0.100 0.000 2.450 92 G HA2 -0.306 3.574 3.960 -0.133 0.000 0.220 92 G HA3 -0.306 3.574 3.960 -0.133 0.000 0.220 92 G C 1.275 176.285 174.900 0.184 0.000 1.130 92 G CA 0.935 46.110 45.100 0.124 0.000 0.760 92 G HN 0.714 nan 8.290 nan 0.000 0.557 93 H N -0.083 119.040 119.070 0.089 0.000 2.353 93 H HA -0.013 4.463 4.556 -0.134 0.000 0.300 93 H C 2.301 177.675 175.328 0.077 0.000 1.090 93 H CA 1.499 57.590 56.048 0.072 0.000 1.327 93 H CB -0.165 29.618 29.762 0.036 0.000 1.383 93 H HN 0.242 nan 8.280 nan 0.000 0.508 94 L N -0.049 121.219 121.223 0.074 0.000 2.083 94 L HA -0.137 4.123 4.340 -0.133 0.000 0.209 94 L C 2.379 179.252 176.870 0.005 0.000 1.083 94 L CA 1.790 56.642 54.840 0.020 0.000 0.752 94 L CB -0.994 41.147 42.059 0.136 0.000 0.899 94 L HN 0.538 nan 8.230 nan 0.000 0.433 95 W N 0.658 121.930 121.300 -0.046 0.000 2.333 95 W HA -0.306 4.275 4.660 -0.131 0.000 0.316 95 W C 2.130 178.620 176.519 -0.049 0.000 1.215 95 W CA 2.018 59.341 57.345 -0.036 0.000 1.278 95 W CB -0.389 29.070 29.460 -0.002 0.000 1.154 95 W HN 0.341 nan 8.180 nan 0.000 0.486 96 N N 0.569 119.296 118.700 0.046 0.000 2.104 96 N HA -0.175 4.485 4.740 -0.133 0.000 0.190 96 N C 1.732 177.121 175.510 -0.202 0.000 1.024 96 N CA 2.042 55.066 53.050 -0.044 0.000 0.853 96 N CB -1.079 37.416 38.487 0.013 0.000 1.008 96 N HN 0.065 nan 8.380 nan 0.000 0.424 97 V N 1.544 121.266 119.914 -0.320 0.000 2.295 97 V HA -0.214 3.826 4.120 -0.133 0.000 0.246 97 V C 2.371 178.300 176.094 -0.276 0.000 1.049 97 V CA 1.296 63.411 62.300 -0.308 0.000 1.024 97 V CB -0.382 31.218 31.823 -0.371 0.000 0.648 97 V HN 0.237 nan 8.190 nan 0.000 0.447 98 M N -1.086 118.301 119.600 -0.355 0.000 2.080 98 M HA -0.152 4.248 4.480 -0.133 0.000 0.260 98 M C 2.195 178.339 176.300 -0.260 0.000 1.068 98 M CA 1.918 56.965 55.300 -0.421 0.000 1.109 98 M CB -1.215 31.101 32.600 -0.472 0.000 1.342 98 M HN 0.273 nan 8.290 nan 0.000 0.405 99 I N 0.249 120.607 120.570 -0.353 0.000 2.252 99 I HA -0.226 3.864 4.170 -0.133 0.000 0.245 99 I C 2.314 178.454 176.117 0.038 0.000 1.102 99 I CA 1.477 62.673 61.300 -0.174 0.000 1.385 99 I CB -0.472 37.356 38.000 -0.285 0.000 1.064 99 I HN 0.297 nan 8.210 nan 0.000 0.414 100 T N -0.260 114.298 114.554 0.007 0.000 2.737 100 T HA -0.106 4.163 4.350 -0.133 0.000 0.265 100 T C 1.910 176.695 174.700 0.142 0.000 1.038 100 T CA 1.378 63.530 62.100 0.086 0.000 1.144 100 T CB -0.911 67.975 68.868 0.030 0.000 0.866 100 T HN 0.531 nan 8.240 nan 0.000 0.434 101 G N 0.838 109.714 108.800 0.127 0.000 2.446 101 G HA2 -0.320 3.560 3.960 -0.133 0.000 0.217 101 G HA3 -0.320 3.560 3.960 -0.133 0.000 0.217 101 G C 1.332 176.459 174.900 0.378 0.000 1.168 101 G CA 1.399 46.662 45.100 0.271 0.000 0.771 101 G HN 0.596 nan 8.290 nan 0.000 0.551 102 H N 0.994 120.241 119.070 0.295 0.000 2.290 102 H HA -0.034 4.442 4.556 -0.134 0.000 0.298 102 H C 2.662 178.037 175.328 0.078 0.000 1.087 102 H CA 2.287 58.463 56.048 0.213 0.000 1.291 102 H CB -0.837 29.021 29.762 0.160 0.000 1.369 102 H HN 0.204 nan 8.280 nan 0.000 0.492 103 G N 1.181 109.872 108.800 -0.181 0.000 2.421 103 G HA2 -0.193 3.687 3.960 -0.133 0.000 0.216 103 G HA3 -0.193 3.687 3.960 -0.133 0.000 0.216 103 G C 1.717 176.493 174.900 -0.206 0.000 1.171 103 G CA 0.974 45.842 45.100 -0.386 0.000 0.775 103 G HN 0.393 nan 8.290 nan 0.000 0.543 104 I N 1.000 121.664 120.570 0.157 0.000 2.163 104 I HA -0.113 3.977 4.170 -0.133 0.000 0.243 104 I C 2.919 179.268 176.117 0.386 0.000 1.085 104 I CA 0.943 62.480 61.300 0.396 0.000 1.347 104 I CB -1.147 37.108 38.000 0.425 0.000 1.044 104 I HN 0.166 nan 8.210 nan 0.000 0.408 105 L N -0.534 120.877 121.223 0.313 0.000 2.012 105 L HA -0.271 3.989 4.340 -0.133 0.000 0.210 105 L C 2.742 179.704 176.870 0.153 0.000 1.073 105 L CA 1.292 56.335 54.840 0.339 0.000 0.748 105 L CB -0.579 41.586 42.059 0.177 0.000 0.891 105 L HN 0.221 nan 8.230 nan 0.000 0.431 106 M N -1.107 118.445 119.600 -0.080 0.000 2.067 106 M HA -0.173 4.227 4.480 -0.133 0.000 0.260 106 M C 2.296 178.407 176.300 -0.314 0.000 1.069 106 M CA 1.817 56.989 55.300 -0.214 0.000 1.117 106 M CB -0.823 31.543 32.600 -0.390 0.000 1.334 106 M HN 0.239 nan 8.290 nan 0.000 0.407 107 M N -1.582 117.718 119.600 -0.499 0.000 2.349 107 M HA -0.029 4.371 4.480 -0.133 0.000 0.266 107 M C 1.763 177.582 176.300 -0.801 0.000 1.076 107 M CA 1.306 56.142 55.300 -0.775 0.000 1.126 107 M CB -0.995 30.855 32.600 -1.251 0.000 1.392 107 M HN 0.125 nan 8.290 nan 0.000 0.440 108 F N -2.073 117.695 119.950 -0.304 0.000 2.602 108 F HA 0.151 4.599 4.527 -0.132 0.000 0.284 108 F C 1.191 176.565 175.800 -0.711 0.000 1.111 108 F CA 0.240 57.874 58.000 -0.608 0.000 1.405 108 F CB 0.025 38.441 39.000 -0.974 0.000 1.121 108 F HN -0.099 nan 8.300 nan 0.000 0.603 109 F N -1.656 118.450 119.950 0.260 0.000 2.729 109 F HA 0.326 4.773 4.527 -0.133 0.000 0.315 109 F C 0.993 176.968 175.800 0.292 0.000 1.102 109 F CA -0.152 58.073 58.000 0.375 0.000 1.204 109 F CB -0.094 39.122 39.000 0.360 0.000 1.052 109 F HN -0.280 nan 8.300 nan 0.000 0.551 110 V N -1.957 118.076 119.914 0.199 0.000 3.668 110 V HA 0.084 4.124 4.120 -0.133 0.000 0.199 110 V C 1.607 177.716 176.094 0.025 0.000 1.241 110 V CA 0.416 62.794 62.300 0.131 0.000 1.308 110 V CB 0.163 32.028 31.823 0.070 0.000 1.411 110 V HN -0.082 nan 8.190 nan 0.000 0.535 111 V N 0.179 120.057 119.914 -0.060 0.000 2.488 111 V HA -0.066 3.974 4.120 -0.133 0.000 0.246 111 V C 2.059 178.111 176.094 -0.071 0.000 1.046 111 V CA 2.011 64.260 62.300 -0.085 0.000 1.053 111 V CB 0.076 31.812 31.823 -0.145 0.000 0.679 111 V HN 0.432 nan 8.190 nan 0.000 0.458 112 I N 0.083 120.588 120.570 -0.107 0.000 2.233 112 I HA -0.089 4.001 4.170 -0.133 0.000 0.243 112 I C -0.275 175.811 176.117 -0.051 0.000 1.093 112 I CA 1.217 62.467 61.300 -0.084 0.000 1.380 112 I CB -1.448 36.458 38.000 -0.157 0.000 1.067 112 I HN 0.328 nan 8.210 nan 0.000 0.413 113 P HA -0.231 nan 4.420 nan 0.000 0.217 113 P C 1.438 178.694 177.300 -0.073 0.000 1.151 113 P CA 2.028 65.017 63.100 -0.186 0.000 0.849 113 P CB -0.023 31.438 31.700 -0.398 0.000 0.787 114 A N -1.156 121.652 122.820 -0.021 0.000 1.855 114 A HA -0.129 4.111 4.320 -0.133 0.000 0.215 114 A C 2.234 179.798 177.584 -0.034 0.000 1.191 114 A CA 1.397 53.408 52.037 -0.045 0.000 0.613 114 A CB -1.502 17.479 19.000 -0.032 0.000 0.829 114 A HN 0.097 nan 8.150 nan 0.000 0.442 115 L N -2.652 118.629 121.223 0.097 0.000 2.049 115 L HA -0.029 4.231 4.340 -0.133 0.000 0.203 115 L C 2.474 179.531 176.870 0.312 0.000 1.074 115 L CA 1.493 56.506 54.840 0.288 0.000 0.749 115 L CB -0.455 41.750 42.059 0.244 0.000 0.907 115 L HN 0.485 nan 8.230 nan 0.000 0.439 116 F N 0.335 120.290 119.950 0.008 0.000 2.147 116 F HA 0.058 4.503 4.527 -0.135 0.000 0.291 116 F C 2.240 177.930 175.800 -0.183 0.000 1.093 116 F CA 1.385 59.355 58.000 -0.052 0.000 1.263 116 F CB -0.595 38.344 39.000 -0.101 0.000 1.036 116 F HN -0.057 nan 8.300 nan 0.000 0.481 117 G N -0.637 107.967 108.800 -0.326 0.000 2.422 117 G HA2 -0.043 3.837 3.960 -0.133 0.000 0.218 117 G HA3 -0.043 3.837 3.960 -0.133 0.000 0.218 117 G C 1.658 176.196 174.900 -0.603 0.000 1.140 117 G CA 0.743 45.222 45.100 -1.035 0.000 0.775 117 G HN 0.624 nan 8.290 nan 0.000 0.545 118 G N 0.315 108.973 108.800 -0.237 0.000 2.695 118 G HA2 0.175 4.055 3.960 -0.133 0.000 0.219 118 G HA3 0.175 4.055 3.960 -0.133 0.000 0.219 118 G C 1.380 176.247 174.900 -0.055 0.000 1.295 118 G CA 0.265 45.285 45.100 -0.132 0.000 0.882 118 G HN 0.164 nan 8.290 nan 0.000 0.570 119 F N 2.178 122.220 119.950 0.153 0.000 2.171 119 F HA 0.071 4.520 4.527 -0.131 0.000 0.300 119 F C 2.868 178.884 175.800 0.360 0.000 1.090 119 F CA 0.687 58.834 58.000 0.244 0.000 1.293 119 F CB -0.901 38.258 39.000 0.265 0.000 1.013 119 F HN 0.207 nan 8.300 nan 0.000 0.486 120 G N 0.203 109.270 108.800 0.445 0.000 2.480 120 G HA2 -0.298 3.582 3.960 -0.133 0.000 0.216 120 G HA3 -0.298 3.582 3.960 -0.133 0.000 0.216 120 G C 1.767 176.678 174.900 0.019 0.000 1.200 120 G CA 1.081 46.271 45.100 0.150 0.000 0.782 120 G HN 0.259 nan 8.290 nan 0.000 0.554 121 N N -0.588 118.060 118.700 -0.086 0.000 2.166 121 N HA -0.111 4.549 4.740 -0.133 0.000 0.186 121 N C 1.883 177.422 175.510 0.049 0.000 1.019 121 N CA 1.073 54.093 53.050 -0.049 0.000 0.856 121 N CB -0.315 38.143 38.487 -0.048 0.000 0.993 121 N HN 0.435 nan 8.380 nan 0.000 0.426 122 Y N 0.073 120.300 120.300 -0.122 0.000 2.153 122 Y HA -0.088 4.381 4.550 -0.134 0.000 0.289 122 Y C 1.748 177.327 175.900 -0.536 0.000 1.127 122 Y CA 1.553 59.408 58.100 -0.408 0.000 1.131 122 Y CB -0.370 37.679 38.460 -0.685 0.000 0.995 122 Y HN -0.096 nan 8.280 nan 0.000 0.505 123 F N -1.856 118.125 119.950 0.052 0.000 2.530 123 F HA -0.054 4.394 4.527 -0.132 0.000 0.292 123 F C 2.377 178.026 175.800 -0.252 0.000 1.109 123 F CA 0.518 58.346 58.000 -0.287 0.000 1.450 123 F CB -0.495 37.994 39.000 -0.853 0.000 1.114 123 F HN 0.027 nan 8.300 nan 0.000 0.560 124 M N 1.356 121.063 119.600 0.178 0.000 2.065 124 M HA -0.129 4.271 4.480 -0.133 0.000 0.259 124 M C -0.923 175.390 176.300 0.022 0.000 1.069 124 M CA 2.315 57.710 55.300 0.157 0.000 1.110 124 M CB -1.693 30.962 32.600 0.092 0.000 1.328 124 M HN -0.079 nan 8.290 nan 0.000 0.405 125 P HA -0.127 nan 4.420 nan 0.000 0.215 125 P C 1.830 179.071 177.300 -0.098 0.000 1.153 125 P CA 1.313 64.259 63.100 -0.257 0.000 0.853 125 P CB -0.292 30.972 31.700 -0.727 0.000 0.788 126 L N -1.552 119.681 121.223 0.017 0.000 2.042 126 L HA -0.236 4.024 4.340 -0.133 0.000 0.210 126 L C 2.494 179.520 176.870 0.260 0.000 1.076 126 L CA 1.813 56.802 54.840 0.249 0.000 0.749 126 L CB -1.279 40.873 42.059 0.154 0.000 0.893 126 L HN 0.180 nan 8.230 nan 0.000 0.432 127 H N -0.214 118.981 119.070 0.208 0.000 2.457 127 H HA -0.066 4.411 4.556 -0.132 0.000 0.294 127 H C 2.039 177.386 175.328 0.032 0.000 1.064 127 H CA 1.186 57.362 56.048 0.214 0.000 1.330 127 H CB 0.163 30.143 29.762 0.364 0.000 1.395 127 H HN 0.481 nan 8.280 nan 0.000 0.541 128 I N -3.724 116.853 120.570 0.011 0.000 4.018 128 I HA 0.400 4.490 4.170 -0.133 0.000 0.337 128 I C 1.225 177.128 176.117 -0.356 0.000 1.327 128 I CA 0.362 61.542 61.300 -0.198 0.000 1.100 128 I CB 0.759 38.570 38.000 -0.315 0.000 1.025 128 I HN 0.130 nan 8.210 nan 0.000 0.396 129 G N 1.934 110.421 108.800 -0.522 0.000 2.198 129 G HA2 -0.211 3.669 3.960 -0.133 0.000 0.260 129 G HA3 -0.211 3.669 3.960 -0.133 0.000 0.260 129 G C 0.307 174.690 174.900 -0.861 0.000 1.025 129 G CA 0.144 44.499 45.100 -1.242 0.000 0.769 129 G HN 0.949 nan 8.290 nan 0.000 0.507 130 A N -0.255 122.307 122.820 -0.430 0.000 2.316 130 A HA 0.806 5.046 4.320 -0.133 0.000 0.284 130 A C -0.417 177.142 177.584 -0.042 0.000 1.115 130 A CA -0.836 51.059 52.037 -0.236 0.000 0.812 130 A CB 1.044 19.900 19.000 -0.241 0.000 1.064 130 A HN 0.083 nan 8.150 nan 0.000 0.489 131 P HA 0.093 nan 4.420 nan 0.000 0.224 131 P C -0.075 177.217 177.300 -0.012 0.000 1.157 131 P CA 1.001 64.163 63.100 0.105 0.000 0.799 131 P CB 0.416 32.166 31.700 0.082 0.000 0.809 132 D N -3.125 117.196 120.400 -0.132 0.000 2.713 132 D HA 0.213 4.773 4.640 -0.133 0.000 0.306 132 D C -0.685 175.477 176.300 -0.230 0.000 1.299 132 D CA -0.521 53.373 54.000 -0.176 0.000 0.823 132 D CB 0.844 41.632 40.800 -0.021 0.000 1.353 132 D HN -0.340 nan 8.370 nan 0.000 0.447 133 M N 1.193 120.682 119.600 -0.184 0.000 2.245 133 M HA 0.269 4.669 4.480 -0.133 0.000 0.330 133 M C 1.441 177.613 176.300 -0.212 0.000 1.098 133 M CA -0.012 55.188 55.300 -0.166 0.000 1.172 133 M CB 0.418 32.971 32.600 -0.079 0.000 1.467 133 M HN 0.619 nan 8.290 nan 0.000 0.454 134 A N 2.720 125.331 122.820 -0.349 0.000 1.903 134 A HA -0.138 4.102 4.320 -0.133 0.000 0.219 134 A C 0.516 177.619 177.584 -0.802 0.000 1.191 134 A CA 1.761 53.379 52.037 -0.700 0.000 0.638 134 A CB -0.462 17.884 19.000 -1.090 0.000 0.823 134 A HN 0.641 nan 8.150 nan 0.000 0.451 135 F N -1.674 118.285 119.950 0.015 0.000 2.564 135 F HA 0.401 4.847 4.527 -0.134 0.000 0.368 135 F C -2.158 173.666 175.800 0.039 0.000 1.127 135 F CA -2.464 55.553 58.000 0.028 0.000 1.170 135 F CB 1.134 40.156 39.000 0.036 0.000 1.397 135 F HN -0.022 nan 8.300 nan 0.000 0.493 136 P HA -0.183 nan 4.420 nan 0.000 0.216 136 P C 1.289 178.671 177.300 0.137 0.000 1.150 136 P CA 1.544 64.707 63.100 0.105 0.000 0.837 136 P CB 0.237 31.975 31.700 0.063 0.000 0.786 137 R N -0.792 119.798 120.500 0.151 0.000 2.092 137 R HA 0.004 4.264 4.340 -0.133 0.000 0.231 137 R C 2.317 178.718 176.300 0.169 0.000 1.119 137 R CA 1.211 57.398 56.100 0.146 0.000 0.970 137 R CB -2.026 28.347 30.300 0.122 0.000 0.864 137 R HN 0.216 nan 8.270 nan 0.000 0.440 138 M N 0.979 120.690 119.600 0.185 0.000 2.117 138 M HA -0.124 4.276 4.480 -0.133 0.000 0.262 138 M C 1.571 177.995 176.300 0.207 0.000 1.065 138 M CA 1.701 57.108 55.300 0.178 0.000 1.114 138 M CB -0.147 32.561 32.600 0.179 0.000 1.361 138 M HN 0.178 nan 8.290 nan 0.000 0.408 139 N N 0.964 119.789 118.700 0.208 0.000 2.104 139 N HA -0.216 4.444 4.740 -0.133 0.000 0.190 139 N C 1.344 176.999 175.510 0.241 0.000 1.024 139 N CA 1.907 55.083 53.050 0.210 0.000 0.853 139 N CB -0.535 38.046 38.487 0.158 0.000 1.008 139 N HN 0.513 nan 8.380 nan 0.000 0.424 140 N N -0.292 118.539 118.700 0.218 0.000 2.166 140 N HA -0.117 4.543 4.740 -0.133 0.000 0.186 140 N C 1.664 177.395 175.510 0.368 0.000 1.019 140 N CA 0.773 53.978 53.050 0.258 0.000 0.856 140 N CB -0.249 38.393 38.487 0.259 0.000 0.993 140 N HN 0.215 nan 8.380 nan 0.000 0.426 141 L N 0.046 121.469 121.223 0.334 0.000 2.093 141 L HA 0.054 4.314 4.340 -0.133 0.000 0.208 141 L C 2.137 179.200 176.870 0.322 0.000 1.085 141 L CA 1.360 56.409 54.840 0.347 0.000 0.755 141 L CB -1.000 41.200 42.059 0.236 0.000 0.904 141 L HN 0.073 nan 8.230 nan 0.000 0.435 142 S N -1.081 114.801 115.700 0.303 0.000 2.378 142 S HA -0.333 4.057 4.470 -0.133 0.000 0.229 142 S C 1.879 176.703 174.600 0.372 0.000 1.052 142 S CA 2.148 60.557 58.200 0.348 0.000 1.084 142 S CB -0.728 62.711 63.200 0.398 0.000 0.950 142 S HN 0.701 nan 8.310 nan 0.000 0.440 143 Y N 0.206 120.590 120.300 0.141 0.000 2.181 143 Y HA -0.162 4.305 4.550 -0.139 0.000 0.288 143 Y C 1.884 177.686 175.900 -0.164 0.000 1.146 143 Y CA 1.431 59.398 58.100 -0.222 0.000 1.164 143 Y CB -0.590 37.562 38.460 -0.513 0.000 0.982 143 Y HN 0.341 nan 8.280 nan 0.000 0.515 144 W N 0.087 121.418 121.300 0.052 0.000 2.402 144 W HA -0.131 4.521 4.660 -0.014 0.000 0.286 144 W C 2.165 178.650 176.519 -0.057 0.000 1.221 144 W CA 0.919 58.230 57.345 -0.057 0.000 1.257 144 W CB -0.300 29.196 29.460 0.060 0.000 1.120 144 W HN 0.054 nan 8.180 nan 0.000 0.551 145 L N -0.960 120.411 121.223 0.246 0.000 2.093 145 L HA -0.253 4.007 4.340 -0.133 0.000 0.208 145 L C 2.410 179.418 176.870 0.231 0.000 1.085 145 L CA 1.174 56.145 54.840 0.218 0.000 0.755 145 L CB -1.122 41.075 42.059 0.229 0.000 0.904 145 L HN 0.073 nan 8.230 nan 0.000 0.435 146 Y N 0.698 121.041 120.300 0.071 0.000 2.128 146 Y HA -0.221 4.251 4.550 -0.131 0.000 0.284 146 Y C 2.325 178.222 175.900 -0.005 0.000 1.154 146 Y CA 1.519 59.685 58.100 0.111 0.000 1.149 146 Y CB -0.684 37.818 38.460 0.071 0.000 0.976 146 Y HN -0.138 nan 8.280 nan 0.000 0.505 147 V N 0.872 120.480 119.914 -0.510 0.000 2.343 147 V HA -0.287 3.753 4.120 -0.133 0.000 0.247 147 V C 2.787 178.748 176.094 -0.223 0.000 1.051 147 V CA 1.806 63.787 62.300 -0.531 0.000 1.036 147 V CB -1.709 29.835 31.823 -0.465 0.000 0.654 147 V HN 0.566 nan 8.190 nan 0.000 0.451 148 A N 0.655 123.445 122.820 -0.050 0.000 1.877 148 A HA -0.099 4.141 4.320 -0.133 0.000 0.216 148 A C 2.449 180.022 177.584 -0.018 0.000 1.186 148 A CA 1.994 54.030 52.037 -0.001 0.000 0.620 148 A CB -1.319 17.719 19.000 0.062 0.000 0.822 148 A HN 0.518 nan 8.150 nan 0.000 0.443 149 G N -1.018 107.817 108.800 0.059 0.000 2.446 149 G HA2 -0.203 3.677 3.960 -0.133 0.000 0.217 149 G HA3 -0.203 3.677 3.960 -0.133 0.000 0.217 149 G C 1.589 176.224 174.900 -0.441 0.000 1.168 149 G CA 1.740 46.907 45.100 0.113 0.000 0.771 149 G HN 0.438 nan 8.290 nan 0.000 0.551 150 T N 1.343 115.490 114.554 -0.679 0.000 2.708 150 T HA -0.110 4.160 4.350 -0.133 0.000 0.266 150 T C 2.863 177.284 174.700 -0.465 0.000 1.037 150 T CA 1.580 63.117 62.100 -0.938 0.000 1.146 150 T CB -0.324 68.158 68.868 -0.644 0.000 0.865 150 T HN 0.285 nan 8.240 nan 0.000 0.435 151 S N 1.476 117.012 115.700 -0.274 0.000 2.370 151 S HA 0.006 4.396 4.470 -0.133 0.000 0.226 151 S C 2.052 176.609 174.600 -0.072 0.000 1.033 151 S CA 0.886 59.007 58.200 -0.132 0.000 1.011 151 S CB -0.508 62.640 63.200 -0.086 0.000 0.852 151 S HN 0.345 nan 8.310 nan 0.000 0.457 152 L N 1.051 122.234 121.223 -0.065 0.000 2.046 152 L HA -0.141 4.119 4.340 -0.133 0.000 0.208 152 L C 2.893 179.769 176.870 0.011 0.000 1.077 152 L CA 1.278 56.131 54.840 0.022 0.000 0.747 152 L CB -0.949 41.165 42.059 0.092 0.000 0.896 152 L HN 0.351 nan 8.230 nan 0.000 0.432 153 A N -0.088 122.676 122.820 -0.094 0.000 1.892 153 A HA -0.190 4.050 4.320 -0.133 0.000 0.218 153 A C 2.321 179.912 177.584 0.011 0.000 1.188 153 A CA 2.090 54.097 52.037 -0.049 0.000 0.631 153 A CB -0.918 17.981 19.000 -0.168 0.000 0.822 153 A HN 0.214 nan 8.150 nan 0.000 0.447 154 V N -0.228 119.683 119.914 -0.005 0.000 2.295 154 V HA -0.246 3.793 4.120 -0.133 0.000 0.246 154 V C 3.060 179.282 176.094 0.213 0.000 1.049 154 V CA 1.980 64.347 62.300 0.112 0.000 1.024 154 V CB -1.265 30.614 31.823 0.095 0.000 0.648 154 V HN 0.637 nan 8.190 nan 0.000 0.447 155 A N 0.722 123.644 122.820 0.169 0.000 1.978 155 A HA -0.229 4.011 4.320 -0.133 0.000 0.220 155 A C 2.549 180.241 177.584 0.179 0.000 1.170 155 A CA 2.221 54.390 52.037 0.221 0.000 0.636 155 A CB -0.809 18.277 19.000 0.143 0.000 0.810 155 A HN 0.713 nan 8.150 nan 0.000 0.448 156 S N 0.150 115.909 115.700 0.098 0.000 2.419 156 S HA -0.139 4.251 4.470 -0.133 0.000 0.235 156 S C 1.730 176.304 174.600 -0.043 0.000 1.019 156 S CA 1.552 59.773 58.200 0.033 0.000 0.982 156 S CB -0.767 62.451 63.200 0.029 0.000 0.789 156 S HN 0.479 nan 8.310 nan 0.000 0.490 157 L N -1.079 120.081 121.223 -0.106 0.000 2.291 157 L HA 0.159 4.419 4.340 -0.133 0.000 0.214 157 L C 1.395 177.922 176.870 -0.572 0.000 1.120 157 L CA 0.902 55.516 54.840 -0.377 0.000 0.799 157 L CB -0.406 41.326 42.059 -0.546 0.000 0.925 157 L HN 0.296 nan 8.230 nan 0.000 0.446 158 F N -0.425 119.518 119.950 -0.012 0.000 2.682 158 F HA 0.382 4.829 4.527 -0.133 0.000 0.308 158 F C 1.165 176.940 175.800 -0.041 0.000 1.093 158 F CA -0.541 57.449 58.000 -0.017 0.000 1.244 158 F CB -0.082 38.912 39.000 -0.009 0.000 1.052 158 F HN -0.145 nan 8.300 nan 0.000 0.573 159 A N 0.550 123.380 122.820 0.017 0.000 2.293 159 A HA 0.616 4.856 4.320 -0.133 0.000 0.302 159 A C -2.441 174.986 177.584 -0.262 0.000 1.119 159 A CA -1.757 50.184 52.037 -0.160 0.000 0.823 159 A CB -0.032 18.808 19.000 -0.268 0.000 1.097 159 A HN -0.122 nan 8.150 nan 0.000 0.491 160 P HA 0.192 nan 4.420 nan 0.000 0.260 160 P C 0.445 177.569 177.300 -0.294 0.000 1.185 160 P CA 1.058 63.983 63.100 -0.291 0.000 0.763 160 P CB 0.697 32.235 31.700 -0.270 0.000 0.776 161 G N 2.329 111.037 108.800 -0.153 0.000 3.259 161 G HA2 0.599 4.479 3.960 -0.133 0.000 0.178 161 G HA3 0.599 4.479 3.960 -0.133 0.000 0.178 161 G C -0.201 174.640 174.900 -0.099 0.000 1.129 161 G CA -0.445 44.602 45.100 -0.088 0.000 0.816 161 G HN 0.549 nan 8.290 nan 0.000 0.634 162 G N -0.706 108.061 108.800 -0.056 0.000 2.527 162 G HA2 0.363 4.243 3.960 -0.133 0.000 0.248 162 G HA3 0.363 4.243 3.960 -0.133 0.000 0.248 162 G C 0.371 175.003 174.900 -0.448 0.000 1.231 162 G CA 0.474 45.489 45.100 -0.143 0.000 0.838 162 G HN 0.823 nan 8.290 nan 0.000 0.570 163 N N -0.367 118.184 118.700 -0.249 0.000 2.714 163 N HA -0.237 4.423 4.740 -0.133 0.000 0.250 163 N C 1.401 176.788 175.510 -0.204 0.000 1.117 163 N CA 1.751 54.667 53.050 -0.224 0.000 0.719 163 N CB -1.253 37.075 38.487 -0.264 0.000 1.081 163 N HN 1.937 nan 8.380 nan 0.000 0.557 164 G N -0.639 108.062 108.800 -0.166 0.000 2.179 164 G HA2 -0.347 3.533 3.960 -0.133 0.000 0.257 164 G HA3 -0.347 3.533 3.960 -0.133 0.000 0.257 164 G C 0.099 174.927 174.900 -0.120 0.000 1.010 164 G CA 1.247 46.279 45.100 -0.112 0.000 0.736 164 G HN 0.610 nan 8.290 nan 0.000 0.513 165 Q N -1.456 118.221 119.800 -0.204 0.000 2.852 165 Q HA 0.790 5.050 4.340 -0.133 0.000 0.262 165 Q C 0.493 176.444 176.000 -0.081 0.000 1.051 165 Q CA -1.102 54.621 55.803 -0.134 0.000 0.894 165 Q CB 1.102 29.752 28.738 -0.147 0.000 1.381 165 Q HN 0.286 nan 8.270 nan 0.000 0.501 166 L N 0.255 121.483 121.223 0.009 0.000 2.379 166 L HA 0.699 4.959 4.340 -0.133 0.000 0.269 166 L C 0.418 177.343 176.870 0.091 0.000 1.084 166 L CA -0.429 54.414 54.840 0.005 0.000 0.802 166 L CB 0.932 42.985 42.059 -0.010 0.000 1.175 166 L HN 0.863 nan 8.230 nan 0.000 0.448 167 G N 1.280 110.085 108.800 0.009 0.000 2.705 167 G HA2 -0.154 3.726 3.960 -0.133 0.000 0.686 167 G HA3 -0.154 3.726 3.960 -0.133 0.000 0.686 167 G C -0.706 174.232 174.900 0.064 0.000 1.285 167 G CA -0.854 44.235 45.100 -0.018 0.000 0.800 167 G HN 0.542 nan 8.290 nan 0.000 0.611 168 S N 0.167 115.858 115.700 -0.014 0.000 2.457 168 S HA 0.627 5.017 4.470 -0.133 0.000 0.289 168 S C 0.835 175.399 174.600 -0.059 0.000 1.163 168 S CA 0.211 58.417 58.200 0.009 0.000 1.078 168 S CB 1.808 65.004 63.200 -0.007 0.000 0.987 168 S HN 1.779 nan 8.310 nan 0.000 0.482 169 G N 2.042 110.816 108.800 -0.043 0.000 4.403 169 G HA2 0.455 4.335 3.960 -0.133 0.000 0.297 169 G HA3 0.455 4.335 3.960 -0.133 0.000 0.297 169 G C 0.450 175.349 174.900 -0.002 0.000 1.325 169 G CA -0.579 44.457 45.100 -0.107 0.000 1.378 169 G HN 0.847 nan 8.290 nan 0.000 0.595 170 I N -1.908 118.661 120.570 -0.002 0.000 4.240 170 I HA 0.550 4.640 4.170 -0.133 0.000 0.331 170 I C 0.705 176.809 176.117 -0.020 0.000 1.381 170 I CA -0.109 61.190 61.300 -0.001 0.000 1.136 170 I CB 0.485 38.475 38.000 -0.016 0.000 1.137 170 I HN 0.388 nan 8.210 nan 0.000 0.411 171 G N 2.119 110.924 108.800 0.008 0.000 2.705 171 G HA2 -0.269 3.611 3.960 -0.133 0.000 0.686 171 G HA3 -0.269 3.611 3.960 -0.133 0.000 0.686 171 G C -0.034 174.891 174.900 0.041 0.000 1.285 171 G CA -0.072 45.039 45.100 0.018 0.000 0.800 171 G HN 0.632 nan 8.290 nan 0.000 0.611 172 W N 0.973 122.249 121.300 -0.041 0.000 2.525 172 W HA 0.050 4.629 4.660 -0.135 0.000 0.259 172 W C 1.414 177.940 176.519 0.012 0.000 1.253 172 W CA 1.858 59.203 57.345 0.000 0.000 1.262 172 W CB -1.091 28.357 29.460 -0.019 0.000 1.122 172 W HN 1.123 nan 8.180 nan 0.000 0.607 173 V N -0.351 119.142 119.914 -0.702 0.000 3.647 173 V HA 0.191 4.231 4.120 -0.133 0.000 0.279 173 V C 1.316 177.286 176.094 -0.207 0.000 1.314 173 V CA 0.034 61.891 62.300 -0.739 0.000 1.125 173 V CB -1.240 29.952 31.823 -1.051 0.000 0.907 173 V HN 0.187 nan 8.190 nan 0.000 0.434 174 L N -1.505 119.623 121.223 -0.157 0.000 3.678 174 L HA -0.217 4.043 4.340 -0.133 0.000 0.425 174 L C -0.164 176.581 176.870 -0.210 0.000 1.240 174 L CA 0.086 54.847 54.840 -0.132 0.000 0.876 174 L CB -2.719 39.259 42.059 -0.135 0.000 1.766 174 L HN 0.323 nan 8.230 nan 0.000 0.917 175 Y N 1.445 121.559 120.300 -0.310 0.000 2.721 175 Y HA 0.207 4.677 4.550 -0.134 0.000 0.329 175 Y C -1.156 174.509 175.900 -0.391 0.000 1.211 175 Y CA -2.242 55.637 58.100 -0.368 0.000 1.512 175 Y CB -0.019 38.368 38.460 -0.121 0.000 1.249 175 Y HN 0.117 nan 8.280 nan 0.000 0.549 176 P HA 0.230 nan 4.420 nan 0.000 0.278 176 P C -2.340 174.902 177.300 -0.097 0.000 1.258 176 P CA -2.048 60.903 63.100 -0.247 0.000 0.811 176 P CB 1.241 32.747 31.700 -0.324 0.000 1.063 177 P HA 0.013 nan 4.420 nan 0.000 0.242 177 P C 1.486 178.786 177.300 0.000 0.000 1.197 177 P CA 0.146 63.252 63.100 0.009 0.000 0.765 177 P CB -0.142 31.583 31.700 0.041 0.000 0.936 178 L N 0.868 122.094 121.223 0.005 0.000 2.012 178 L HA -0.202 4.058 4.340 -0.133 0.000 0.210 178 L C 2.257 179.119 176.870 -0.013 0.000 1.073 178 L CA 2.516 57.365 54.840 0.014 0.000 0.748 178 L CB -1.378 40.704 42.059 0.038 0.000 0.891 178 L HN 0.029 nan 8.230 nan 0.000 0.431 179 S N -2.216 113.450 115.700 -0.057 0.000 2.423 179 S HA -0.163 4.227 4.470 -0.133 0.000 0.231 179 S C 1.811 176.374 174.600 -0.062 0.000 1.014 179 S CA 1.277 59.429 58.200 -0.080 0.000 0.965 179 S CB -1.352 61.752 63.200 -0.160 0.000 0.785 179 S HN 0.679 nan 8.310 nan 0.000 0.495 180 T N -0.034 114.493 114.554 -0.045 0.000 3.054 180 T HA 0.111 4.381 4.350 -0.133 0.000 0.259 180 T C 1.837 176.535 174.700 -0.003 0.000 1.092 180 T CA 0.800 62.894 62.100 -0.009 0.000 1.121 180 T CB -0.360 68.533 68.868 0.041 0.000 0.912 180 T HN 0.605 nan 8.240 nan 0.000 0.489 181 S N 0.114 115.813 115.700 -0.002 0.000 2.535 181 S HA 0.198 4.588 4.470 -0.133 0.000 0.214 181 S C 0.449 175.049 174.600 -0.001 0.000 0.980 181 S CA -0.500 57.702 58.200 0.002 0.000 0.907 181 S CB -0.314 62.892 63.200 0.011 0.000 0.790 181 S HN 0.549 nan 8.310 nan 0.000 0.510 182 E N 3.312 123.510 120.200 -0.003 0.000 2.417 182 E HA 0.214 4.484 4.350 -0.133 0.000 0.261 182 E C 0.254 176.848 176.600 -0.010 0.000 1.000 182 E CA -0.058 56.342 56.400 0.000 0.000 0.919 182 E CB 0.525 30.231 29.700 0.010 0.000 0.955 182 E HN 0.532 nan 8.360 nan 0.000 0.455 183 S N 3.201 118.890 115.700 -0.018 0.000 2.596 183 S HA 0.605 4.995 4.470 -0.133 0.000 0.260 183 S C 0.865 175.445 174.600 -0.032 0.000 1.336 183 S CA -0.448 57.738 58.200 -0.023 0.000 0.993 183 S CB 0.946 64.127 63.200 -0.032 0.000 0.923 183 S HN 1.114 nan 8.310 nan 0.000 0.567 184 G N 0.646 109.436 108.800 -0.015 0.000 2.693 184 G HA2 -0.206 3.674 3.960 -0.133 0.000 0.226 184 G HA3 -0.206 3.674 3.960 -0.133 0.000 0.226 184 G C -0.186 174.732 174.900 0.030 0.000 1.354 184 G CA 0.281 45.362 45.100 -0.032 0.000 0.873 184 G HN 1.878 nan 8.290 nan 0.000 0.562 185 Y N -2.177 118.118 120.300 -0.010 0.000 2.500 185 Y HA 0.608 5.077 4.550 -0.134 0.000 0.246 185 Y C 2.398 178.289 175.900 -0.015 0.000 1.146 185 Y CA 0.839 58.927 58.100 -0.020 0.000 1.230 185 Y CB -0.314 38.145 38.460 -0.002 0.000 1.214 185 Y HN 0.832 nan 8.280 nan 0.000 0.526 186 S N 0.967 116.539 115.700 -0.214 0.000 2.372 186 S HA -0.267 4.123 4.470 -0.133 0.000 0.227 186 S C 1.873 176.452 174.600 -0.036 0.000 1.044 186 S CA 2.661 60.789 58.200 -0.120 0.000 1.050 186 S CB -0.717 62.410 63.200 -0.121 0.000 0.901 186 S HN 0.670 nan 8.310 nan 0.000 0.447 187 T N 1.861 116.391 114.554 -0.040 0.000 2.833 187 T HA -0.075 4.195 4.350 -0.133 0.000 0.269 187 T C 1.402 176.043 174.700 -0.098 0.000 1.054 187 T CA 1.422 63.490 62.100 -0.053 0.000 1.135 187 T CB -0.493 68.344 68.868 -0.051 0.000 0.869 187 T HN 0.532 nan 8.240 nan 0.000 0.466 188 D N 1.251 121.589 120.400 -0.103 0.000 2.117 188 D HA -0.012 4.548 4.640 -0.133 0.000 0.198 188 D C 2.196 178.294 176.300 -0.336 0.000 0.982 188 D CA 0.789 54.622 54.000 -0.280 0.000 0.828 188 D CB -0.247 40.427 40.800 -0.211 0.000 0.967 188 D HN 0.335 nan 8.370 nan 0.000 0.464 189 L N 1.052 122.261 121.223 -0.024 0.000 2.079 189 L HA -0.178 4.082 4.340 -0.133 0.000 0.210 189 L C 2.679 179.591 176.870 0.071 0.000 1.081 189 L CA 1.068 55.981 54.840 0.121 0.000 0.752 189 L CB -0.428 41.737 42.059 0.175 0.000 0.896 189 L HN -0.016 nan 8.230 nan 0.000 0.433 190 A N 0.195 123.018 122.820 0.005 0.000 1.902 190 A HA -0.169 4.071 4.320 -0.133 0.000 0.217 190 A C 2.194 179.755 177.584 -0.039 0.000 1.181 190 A CA 1.435 53.477 52.037 0.008 0.000 0.623 190 A CB -0.580 18.418 19.000 -0.003 0.000 0.818 190 A HN 0.351 nan 8.150 nan 0.000 0.443 191 I N -1.522 118.970 120.570 -0.129 0.000 2.252 191 I HA -0.222 3.868 4.170 -0.133 0.000 0.245 191 I C 2.168 178.272 176.117 -0.022 0.000 1.102 191 I CA 1.128 62.319 61.300 -0.180 0.000 1.385 191 I CB -0.368 37.483 38.000 -0.248 0.000 1.064 191 I HN 0.257 nan 8.210 nan 0.000 0.414 192 F N 1.140 121.154 119.950 0.106 0.000 2.134 192 F HA -0.189 4.263 4.527 -0.125 0.000 0.299 192 F C 2.645 178.524 175.800 0.133 0.000 1.097 192 F CA 0.891 58.992 58.000 0.169 0.000 1.264 192 F CB -1.483 37.596 39.000 0.132 0.000 1.001 192 F HN 0.024 nan 8.300 nan 0.000 0.479 193 A N 0.171 123.157 122.820 0.278 0.000 1.873 193 A HA -0.188 4.052 4.320 -0.133 0.000 0.218 193 A C 2.482 180.229 177.584 0.271 0.000 1.193 193 A CA 2.394 54.583 52.037 0.252 0.000 0.629 193 A CB -1.306 17.810 19.000 0.194 0.000 0.826 193 A HN 0.180 nan 8.150 nan 0.000 0.447 194 V N -0.457 119.457 119.914 0.000 0.000 2.343 194 V HA -0.252 3.788 4.120 -0.133 0.000 0.247 194 V C 2.468 178.434 176.094 -0.214 0.000 1.051 194 V CA 2.090 64.164 62.300 -0.376 0.000 1.036 194 V CB -1.082 30.316 31.823 -0.709 0.000 0.654 194 V HN 0.641 nan 8.190 nan 0.000 0.451 195 H N -0.107 118.948 119.070 -0.026 0.000 2.319 195 H HA -0.142 4.334 4.556 -0.133 0.000 0.297 195 H C 2.313 177.683 175.328 0.070 0.000 1.097 195 H CA 2.025 58.094 56.048 0.036 0.000 1.285 195 H CB -0.355 29.485 29.762 0.131 0.000 1.368 195 H HN 0.325 nan 8.280 nan 0.000 0.495 196 L N -0.362 121.018 121.223 0.262 0.000 2.046 196 L HA -0.168 4.092 4.340 -0.133 0.000 0.208 196 L C 2.854 179.876 176.870 0.253 0.000 1.077 196 L CA 1.247 56.227 54.840 0.233 0.000 0.747 196 L CB -0.447 41.751 42.059 0.231 0.000 0.896 196 L HN 0.180 nan 8.230 nan 0.000 0.432 197 S N 0.145 115.999 115.700 0.257 0.000 2.359 197 S HA -0.172 4.218 4.470 -0.133 0.000 0.224 197 S C 2.088 176.774 174.600 0.144 0.000 1.035 197 S CA 1.572 59.890 58.200 0.197 0.000 1.018 197 S CB -0.589 62.562 63.200 -0.082 0.000 0.876 197 S HN 0.515 nan 8.310 nan 0.000 0.448 198 G N 0.745 109.595 108.800 0.083 0.000 2.440 198 G HA2 -0.074 3.806 3.960 -0.133 0.000 0.218 198 G HA3 -0.074 3.806 3.960 -0.133 0.000 0.218 198 G C 1.692 176.662 174.900 0.116 0.000 1.154 198 G CA 1.100 46.248 45.100 0.080 0.000 0.767 198 G HN 0.735 nan 8.290 nan 0.000 0.552 199 A N 0.680 123.583 122.820 0.139 0.000 1.877 199 A HA -0.032 4.208 4.320 -0.133 0.000 0.216 199 A C 2.664 180.346 177.584 0.163 0.000 1.186 199 A CA 2.399 54.519 52.037 0.137 0.000 0.620 199 A CB -1.015 18.065 19.000 0.133 0.000 0.822 199 A HN 0.509 nan 8.150 nan 0.000 0.443 200 S N -0.208 115.617 115.700 0.207 0.000 2.365 200 S HA -0.180 4.210 4.470 -0.133 0.000 0.225 200 S C 2.216 176.959 174.600 0.239 0.000 1.039 200 S CA 2.251 60.607 58.200 0.261 0.000 1.033 200 S CB -0.506 62.898 63.200 0.340 0.000 0.887 200 S HN 0.564 nan 8.310 nan 0.000 0.447 201 S N 1.107 116.918 115.700 0.184 0.000 2.368 201 S HA 0.026 4.416 4.470 -0.133 0.000 0.225 201 S C 1.782 176.464 174.600 0.137 0.000 1.030 201 S CA 1.467 59.749 58.200 0.136 0.000 0.999 201 S CB -0.463 62.763 63.200 0.045 0.000 0.844 201 S HN 0.545 nan 8.310 nan 0.000 0.459 202 I N 1.418 122.059 120.570 0.118 0.000 2.202 202 I HA -0.159 3.931 4.170 -0.133 0.000 0.242 202 I C 2.075 178.261 176.117 0.115 0.000 1.091 202 I CA 0.998 62.356 61.300 0.097 0.000 1.368 202 I CB -0.342 37.708 38.000 0.083 0.000 1.058 202 I HN 0.222 nan 8.210 nan 0.000 0.410 203 L N 0.252 121.557 121.223 0.137 0.000 2.042 203 L HA -0.190 4.070 4.340 -0.133 0.000 0.210 203 L C 2.662 179.637 176.870 0.175 0.000 1.076 203 L CA 1.698 56.624 54.840 0.143 0.000 0.749 203 L CB -1.335 40.820 42.059 0.159 0.000 0.893 203 L HN 0.364 nan 8.230 nan 0.000 0.432 204 G N -0.406 108.527 108.800 0.222 0.000 2.421 204 G HA2 -0.259 3.621 3.960 -0.133 0.000 0.216 204 G HA3 -0.259 3.621 3.960 -0.133 0.000 0.216 204 G C 1.776 176.826 174.900 0.249 0.000 1.171 204 G CA 0.842 46.083 45.100 0.234 0.000 0.775 204 G HN 0.476 nan 8.290 nan 0.000 0.543 205 A N 0.810 123.821 122.820 0.317 0.000 1.933 205 A HA 0.001 4.241 4.320 -0.133 0.000 0.218 205 A C 2.350 179.963 177.584 0.048 0.000 1.175 205 A CA 1.441 53.611 52.037 0.222 0.000 0.628 205 A CB -0.286 18.756 19.000 0.069 0.000 0.814 205 A HN 0.285 nan 8.150 nan 0.000 0.444 206 I N 0.603 121.212 120.570 0.064 0.000 2.127 206 I HA -0.216 3.874 4.170 -0.133 0.000 0.241 206 I C 2.217 178.424 176.117 0.149 0.000 1.075 206 I CA 1.400 62.742 61.300 0.070 0.000 1.334 206 I CB -1.696 36.359 38.000 0.090 0.000 1.040 206 I HN 0.327 nan 8.210 nan 0.000 0.405 207 N N 0.528 119.337 118.700 0.181 0.000 2.104 207 N HA -0.156 4.504 4.740 -0.133 0.000 0.190 207 N C 1.792 177.335 175.510 0.056 0.000 1.024 207 N CA 1.284 54.429 53.050 0.158 0.000 0.853 207 N CB -0.093 38.476 38.487 0.137 0.000 1.008 207 N HN 0.202 nan 8.380 nan 0.000 0.424 208 M N 0.108 119.731 119.600 0.038 0.000 2.132 208 M HA -0.051 4.349 4.480 -0.133 0.000 0.263 208 M C 2.221 178.602 176.300 0.134 0.000 1.065 208 M CA 0.890 56.211 55.300 0.034 0.000 1.122 208 M CB -0.881 31.723 32.600 0.008 0.000 1.365 208 M HN 0.106 nan 8.290 nan 0.000 0.411 209 I N -0.087 120.533 120.570 0.082 0.000 2.233 209 I HA -0.229 3.861 4.170 -0.133 0.000 0.243 209 I C 2.317 178.574 176.117 0.233 0.000 1.093 209 I CA 1.212 62.608 61.300 0.161 0.000 1.380 209 I CB -0.384 37.426 38.000 -0.316 0.000 1.067 209 I HN 0.282 nan 8.210 nan 0.000 0.413 210 T N -0.140 114.490 114.554 0.127 0.000 2.708 210 T HA -0.176 4.094 4.350 -0.133 0.000 0.266 210 T C 1.888 176.592 174.700 0.007 0.000 1.037 210 T CA 2.075 64.230 62.100 0.091 0.000 1.146 210 T CB -0.418 68.505 68.868 0.092 0.000 0.865 210 T HN 0.342 nan 8.240 nan 0.000 0.435 211 T N 1.721 116.256 114.554 -0.032 0.000 2.708 211 T HA -0.061 4.209 4.350 -0.133 0.000 0.266 211 T C 1.564 176.225 174.700 -0.066 0.000 1.037 211 T CA 1.100 63.145 62.100 -0.091 0.000 1.146 211 T CB -0.576 68.228 68.868 -0.106 0.000 0.865 211 T HN 0.339 nan 8.240 nan 0.000 0.435 212 F N 1.250 121.106 119.950 -0.157 0.000 2.126 212 F HA -0.015 4.432 4.527 -0.134 0.000 0.299 212 F C 1.893 177.500 175.800 -0.322 0.000 1.096 212 F CA 1.181 59.000 58.000 -0.301 0.000 1.255 212 F CB -0.250 38.476 39.000 -0.456 0.000 0.997 212 F HN 0.064 nan 8.300 nan 0.000 0.479 213 L N -0.535 120.722 121.223 0.057 0.000 2.209 213 L HA -0.103 4.157 4.340 -0.133 0.000 0.207 213 L C 1.678 178.519 176.870 -0.049 0.000 1.094 213 L CA 0.762 55.629 54.840 0.043 0.000 0.790 213 L CB -0.437 41.749 42.059 0.211 0.000 0.932 213 L HN 0.122 nan 8.230 nan 0.000 0.447 214 N N -0.916 117.746 118.700 -0.063 0.000 2.463 214 N HA 0.121 4.781 4.740 -0.133 0.000 0.183 214 N C 1.298 176.733 175.510 -0.125 0.000 1.064 214 N CA 0.722 53.728 53.050 -0.074 0.000 0.879 214 N CB 0.424 38.880 38.487 -0.053 0.000 1.148 214 N HN 0.241 nan 8.380 nan 0.000 0.451 215 M N 0.396 119.896 119.600 -0.167 0.000 2.484 215 M HA 0.232 4.632 4.480 -0.133 0.000 0.307 215 M C -0.179 175.982 176.300 -0.232 0.000 1.149 215 M CA -0.201 54.989 55.300 -0.183 0.000 0.972 215 M CB 0.808 33.299 32.600 -0.183 0.000 1.400 215 M HN -0.180 nan 8.290 nan 0.000 0.508 216 R N 1.298 121.632 120.500 -0.276 0.000 2.679 216 R HA 0.339 4.599 4.340 -0.133 0.000 0.268 216 R C 0.358 176.510 176.300 -0.247 0.000 1.044 216 R CA -0.150 55.763 56.100 -0.312 0.000 1.105 216 R CB 0.482 30.565 30.300 -0.363 0.000 0.989 216 R HN 0.256 nan 8.270 nan 0.000 0.447 217 A N 4.580 127.239 122.820 -0.268 0.000 2.386 217 A HA 0.263 4.503 4.320 -0.133 0.000 0.248 217 A C -2.020 175.467 177.584 -0.161 0.000 1.082 217 A CA -1.338 50.565 52.037 -0.223 0.000 0.789 217 A CB -0.153 18.678 19.000 -0.283 0.000 1.025 217 A HN 0.437 nan 8.150 nan 0.000 0.490 218 P HA 0.208 nan 4.420 nan 0.000 0.260 218 P C 1.082 178.333 177.300 -0.081 0.000 1.172 218 P CA 1.985 65.034 63.100 -0.086 0.000 0.760 218 P CB 0.485 32.148 31.700 -0.062 0.000 0.773 219 G N 2.965 111.721 108.800 -0.072 0.000 2.284 219 G HA2 -0.310 3.570 3.960 -0.133 0.000 0.230 219 G HA3 -0.310 3.570 3.960 -0.133 0.000 0.230 219 G C 0.321 175.177 174.900 -0.072 0.000 1.021 219 G CA 0.108 45.172 45.100 -0.060 0.000 0.619 219 G HN 0.581 nan 8.290 nan 0.000 0.510 220 M N 3.337 122.873 119.600 -0.106 0.000 2.869 220 M HA 0.560 4.960 4.480 -0.133 0.000 0.299 220 M C 0.763 176.980 176.300 -0.137 0.000 1.508 220 M CA 0.549 55.772 55.300 -0.130 0.000 1.551 220 M CB -0.263 32.224 32.600 -0.188 0.000 1.384 220 M HN 0.298 nan 8.290 nan 0.000 0.491 221 T N 2.693 117.198 114.554 -0.082 0.000 2.882 221 T HA 0.220 4.490 4.350 -0.133 0.000 0.287 221 T C 1.228 175.905 174.700 -0.037 0.000 1.014 221 T CA -0.546 61.514 62.100 -0.066 0.000 1.049 221 T CB 0.829 69.681 68.868 -0.027 0.000 1.001 221 T HN 0.821 nan 8.240 nan 0.000 0.525 222 M N 1.989 121.567 119.600 -0.037 0.000 2.143 222 M HA -0.140 4.260 4.480 -0.133 0.000 0.258 222 M C 1.427 178.018 176.300 0.485 0.000 1.071 222 M CA 2.045 57.406 55.300 0.101 0.000 1.088 222 M CB -0.321 32.331 32.600 0.087 0.000 1.360 222 M HN 0.761 nan 8.290 nan 0.000 0.404 223 H N -1.942 117.334 119.070 0.344 0.000 2.519 223 H HA 0.125 4.601 4.556 -0.134 0.000 0.289 223 H C 0.998 176.455 175.328 0.216 0.000 1.040 223 H CA -0.036 56.264 56.048 0.421 0.000 1.165 223 H CB 0.270 30.201 29.762 0.283 0.000 1.462 223 H HN 0.353 nan 8.280 nan 0.000 0.555 224 K N 0.339 120.884 120.400 0.241 0.000 2.380 224 K HA 0.123 4.363 4.320 -0.133 0.000 0.198 224 K C 0.083 176.745 176.600 0.103 0.000 1.070 224 K CA -0.046 56.271 56.287 0.050 0.000 1.040 224 K CB 1.409 33.906 32.500 -0.004 0.000 0.903 224 K HN -0.040 nan 8.250 nan 0.000 0.549 225 V N 4.490 124.536 119.914 0.219 0.000 2.599 225 V HA -0.001 4.039 4.120 -0.133 0.000 0.300 225 V C -2.206 174.146 176.094 0.430 0.000 1.034 225 V CA -1.134 61.257 62.300 0.150 0.000 1.115 225 V CB 0.131 31.834 31.823 -0.200 0.000 0.934 225 V HN 0.061 nan 8.190 nan 0.000 0.485 226 P HA 0.120 nan 4.420 nan 0.000 0.269 226 P C 0.976 178.693 177.300 0.695 0.000 1.209 226 P CA -0.100 63.268 63.100 0.447 0.000 0.776 226 P CB 0.529 32.398 31.700 0.283 0.000 0.876 227 L N 1.343 123.010 121.223 0.741 0.000 2.127 227 L HA -0.201 4.059 4.340 -0.133 0.000 0.211 227 L C 2.138 179.412 176.870 0.674 0.000 1.089 227 L CA 1.460 56.709 54.840 0.680 0.000 0.757 227 L CB -0.613 41.755 42.059 0.516 0.000 0.899 227 L HN 0.381 nan 8.230 nan 0.000 0.434 228 F N 0.765 121.059 119.950 0.573 0.000 2.134 228 F HA -0.225 4.221 4.527 -0.134 0.000 0.299 228 F C 2.401 178.467 175.800 0.443 0.000 1.097 228 F CA 1.222 59.421 58.000 0.331 0.000 1.264 228 F CB -0.289 38.701 39.000 -0.017 0.000 1.001 228 F HN 0.001 nan 8.300 nan 0.000 0.479 229 A N -0.605 122.484 122.820 0.448 0.000 1.933 229 A HA -0.205 4.035 4.320 -0.133 0.000 0.218 229 A C 2.174 179.943 177.584 0.309 0.000 1.175 229 A CA 1.519 53.753 52.037 0.327 0.000 0.628 229 A CB -1.697 17.540 19.000 0.395 0.000 0.814 229 A HN 0.658 nan 8.150 nan 0.000 0.444 230 W N 0.979 122.499 121.300 0.367 0.000 2.355 230 W HA -0.234 4.347 4.660 -0.133 0.000 0.309 230 W C 3.063 179.686 176.519 0.173 0.000 1.206 230 W CA 2.143 59.655 57.345 0.278 0.000 1.284 230 W CB -0.171 29.445 29.460 0.260 0.000 1.145 230 W HN 0.503 nan 8.180 nan 0.000 0.502 231 S N 0.177 116.104 115.700 0.379 0.000 2.383 231 S HA -0.247 4.143 4.470 -0.133 0.000 0.229 231 S C 1.598 176.280 174.600 0.136 0.000 1.030 231 S CA 1.619 59.962 58.200 0.237 0.000 1.002 231 S CB -0.915 62.410 63.200 0.208 0.000 0.829 231 S HN 0.299 nan 8.310 nan 0.000 0.467 232 I N 0.149 120.717 120.570 -0.004 0.000 2.252 232 I HA -0.021 4.069 4.170 -0.133 0.000 0.245 232 I C 2.328 178.553 176.117 0.179 0.000 1.102 232 I CA 1.193 62.520 61.300 0.045 0.000 1.385 232 I CB -0.423 37.477 38.000 -0.166 0.000 1.064 232 I HN 0.234 nan 8.210 nan 0.000 0.414 233 F N 1.288 121.182 119.950 -0.094 0.000 2.051 233 F HA -0.216 4.230 4.527 -0.134 0.000 0.296 233 F C 2.401 178.243 175.800 0.069 0.000 1.122 233 F CA 1.685 59.538 58.000 -0.244 0.000 1.201 233 F CB -0.643 37.798 39.000 -0.932 0.000 0.978 233 F HN -0.212 nan 8.300 nan 0.000 0.472 234 V N -0.157 119.869 119.914 0.187 0.000 2.287 234 V HA -0.360 3.680 4.120 -0.133 0.000 0.248 234 V C 2.353 178.537 176.094 0.150 0.000 1.053 234 V CA 2.456 64.872 62.300 0.193 0.000 1.027 234 V CB -1.361 30.614 31.823 0.253 0.000 0.646 234 V HN 0.426 nan 8.190 nan 0.000 0.447 235 T N 0.533 115.166 114.554 0.131 0.000 2.685 235 T HA -0.275 3.995 4.350 -0.133 0.000 0.268 235 T C 2.020 176.700 174.700 -0.032 0.000 1.034 235 T CA 1.898 64.029 62.100 0.052 0.000 1.149 235 T CB -0.521 68.385 68.868 0.065 0.000 0.860 235 T HN 0.611 nan 8.240 nan 0.000 0.449 236 A N 0.001 122.834 122.820 0.022 0.000 1.972 236 A HA -0.087 4.153 4.320 -0.133 0.000 0.219 236 A C 2.064 179.541 177.584 -0.178 0.000 1.169 236 A CA 1.268 53.268 52.037 -0.061 0.000 0.635 236 A CB -1.032 17.950 19.000 -0.030 0.000 0.810 236 A HN 0.711 nan 8.150 nan 0.000 0.446 237 W N 0.105 121.332 121.300 -0.120 0.000 2.409 237 W HA -0.026 4.555 4.660 -0.131 0.000 0.299 237 W C 2.031 178.561 176.519 0.019 0.000 1.203 237 W CA 0.801 58.085 57.345 -0.103 0.000 1.298 237 W CB -0.226 29.122 29.460 -0.187 0.000 1.127 237 W HN 0.205 nan 8.180 nan 0.000 0.528 238 L N -0.269 121.135 121.223 0.301 0.000 2.083 238 L HA -0.229 4.031 4.340 -0.133 0.000 0.209 238 L C 2.074 179.128 176.870 0.307 0.000 1.083 238 L CA 1.244 56.321 54.840 0.395 0.000 0.752 238 L CB -1.006 41.203 42.059 0.251 0.000 0.899 238 L HN 0.051 nan 8.230 nan 0.000 0.433 239 I N -0.502 120.130 120.570 0.104 0.000 2.315 239 I HA -0.280 3.810 4.170 -0.133 0.000 0.248 239 I C 2.399 178.589 176.117 0.123 0.000 1.117 239 I CA 0.917 62.248 61.300 0.052 0.000 1.404 239 I CB -0.111 37.808 38.000 -0.135 0.000 1.071 239 I HN 0.195 nan 8.210 nan 0.000 0.419 240 L N -0.014 121.276 121.223 0.112 0.000 2.093 240 L HA -0.164 4.096 4.340 -0.133 0.000 0.208 240 L C 2.175 179.143 176.870 0.163 0.000 1.085 240 L CA 1.671 56.580 54.840 0.114 0.000 0.755 240 L CB -0.636 41.476 42.059 0.088 0.000 0.904 240 L HN 0.232 nan 8.230 nan 0.000 0.435 241 L N -1.751 119.596 121.223 0.207 0.000 2.127 241 L HA -0.053 4.207 4.340 -0.133 0.000 0.203 241 L C 2.382 179.479 176.870 0.378 0.000 1.080 241 L CA 1.152 56.103 54.840 0.184 0.000 0.768 241 L CB -0.240 41.726 42.059 -0.155 0.000 0.924 241 L HN 0.267 nan 8.230 nan 0.000 0.444 242 A N -0.405 122.723 122.820 0.514 0.000 1.897 242 A HA -0.125 4.115 4.320 -0.133 0.000 0.215 242 A C 2.021 179.859 177.584 0.422 0.000 1.181 242 A CA 0.808 53.161 52.037 0.527 0.000 0.620 242 A CB -0.421 18.809 19.000 0.383 0.000 0.821 242 A HN 0.323 nan 8.150 nan 0.000 0.443 243 L N -0.313 121.087 121.223 0.295 0.000 2.093 243 L HA -0.053 4.207 4.340 -0.133 0.000 0.208 243 L C -0.456 176.460 176.870 0.077 0.000 1.085 243 L CA 1.942 56.874 54.840 0.154 0.000 0.755 243 L CB -2.279 39.852 42.059 0.121 0.000 0.904 243 L HN 0.192 nan 8.230 nan 0.000 0.435 244 P HA -0.114 nan 4.420 nan 0.000 0.216 244 P C 2.134 179.467 177.300 0.055 0.000 1.150 244 P CA 0.989 64.135 63.100 0.076 0.000 0.837 244 P CB 0.131 31.881 31.700 0.082 0.000 0.786 245 V N -0.526 119.449 119.914 0.103 0.000 2.343 245 V HA -0.216 3.823 4.120 -0.133 0.000 0.247 245 V C 2.361 178.447 176.094 -0.013 0.000 1.051 245 V CA 1.553 63.895 62.300 0.070 0.000 1.036 245 V CB -1.235 30.722 31.823 0.224 0.000 0.654 245 V HN 0.070 nan 8.190 nan 0.000 0.451 246 L N 1.046 122.236 121.223 -0.056 0.000 2.046 246 L HA -0.070 4.190 4.340 -0.133 0.000 0.208 246 L C 2.473 179.209 176.870 -0.223 0.000 1.077 246 L CA 2.303 56.978 54.840 -0.276 0.000 0.747 246 L CB -0.977 40.638 42.059 -0.741 0.000 0.896 246 L HN 0.214 nan 8.230 nan 0.000 0.432 247 A N -0.479 122.269 122.820 -0.120 0.000 1.940 247 A HA -0.122 4.118 4.320 -0.133 0.000 0.219 247 A C 2.330 179.945 177.584 0.052 0.000 1.176 247 A CA 1.717 53.755 52.037 0.001 0.000 0.631 247 A CB -1.602 17.473 19.000 0.125 0.000 0.814 247 A HN 0.549 nan 8.150 nan 0.000 0.446 248 G N -0.581 108.217 108.800 -0.002 0.000 2.433 248 G HA2 0.007 3.887 3.960 -0.133 0.000 0.216 248 G HA3 0.007 3.887 3.960 -0.133 0.000 0.216 248 G C 1.819 176.699 174.900 -0.033 0.000 1.186 248 G CA 1.580 46.666 45.100 -0.024 0.000 0.779 248 G HN 0.838 nan 8.290 nan 0.000 0.543 249 A N 1.378 124.156 122.820 -0.069 0.000 1.884 249 A HA -0.138 4.102 4.320 -0.133 0.000 0.219 249 A C 2.465 180.126 177.584 0.129 0.000 1.197 249 A CA 2.055 54.070 52.037 -0.036 0.000 0.637 249 A CB -0.565 18.253 19.000 -0.304 0.000 0.827 249 A HN 0.849 nan 8.150 nan 0.000 0.450 250 I N -3.723 116.851 120.570 0.007 0.000 2.761 250 I HA -0.051 4.039 4.170 -0.133 0.000 0.261 250 I C 1.935 178.094 176.117 0.070 0.000 1.198 250 I CA 1.765 63.065 61.300 -0.001 0.000 1.482 250 I CB -0.780 37.082 38.000 -0.231 0.000 1.100 250 I HN 0.106 nan 8.210 nan 0.000 0.445 251 T N 1.884 116.518 114.554 0.134 0.000 2.777 251 T HA -0.029 4.241 4.350 -0.133 0.000 0.266 251 T C 1.930 176.752 174.700 0.204 0.000 1.040 251 T CA 1.921 64.164 62.100 0.239 0.000 1.141 251 T CB -0.246 68.758 68.868 0.227 0.000 0.868 251 T HN 0.352 nan 8.240 nan 0.000 0.444 252 M N 0.609 120.292 119.600 0.138 0.000 2.213 252 M HA -0.007 4.393 4.480 -0.133 0.000 0.263 252 M C 2.128 178.639 176.300 0.351 0.000 1.062 252 M CA 1.423 56.803 55.300 0.133 0.000 1.105 252 M CB -0.689 31.796 32.600 -0.191 0.000 1.385 252 M HN 0.196 nan 8.290 nan 0.000 0.417 253 L N -0.280 121.164 121.223 0.367 0.000 2.056 253 L HA -0.192 4.068 4.340 -0.133 0.000 0.207 253 L C 2.496 179.456 176.870 0.151 0.000 1.078 253 L CA 0.777 55.772 54.840 0.258 0.000 0.749 253 L CB -0.582 41.527 42.059 0.083 0.000 0.901 253 L HN 0.270 nan 8.230 nan 0.000 0.433 254 L N -0.137 121.170 121.223 0.139 0.000 2.046 254 L HA -0.205 4.055 4.340 -0.133 0.000 0.208 254 L C 2.758 179.721 176.870 0.155 0.000 1.077 254 L CA 2.310 57.212 54.840 0.103 0.000 0.747 254 L CB -0.487 41.666 42.059 0.158 0.000 0.896 254 L HN 0.433 nan 8.230 nan 0.000 0.432 255 T N -5.158 109.569 114.554 0.287 0.000 2.942 255 T HA -0.112 4.158 4.350 -0.133 0.000 0.265 255 T C 1.628 176.437 174.700 0.183 0.000 1.062 255 T CA 1.003 63.322 62.100 0.364 0.000 1.139 255 T CB -0.515 68.606 68.868 0.423 0.000 0.883 255 T HN 0.209 nan 8.240 nan 0.000 0.468 256 D N 1.437 121.938 120.400 0.168 0.000 2.149 256 D HA -0.011 4.549 4.640 -0.133 0.000 0.198 256 D C 2.470 178.788 176.300 0.029 0.000 0.990 256 D CA 0.951 55.006 54.000 0.090 0.000 0.839 256 D CB -0.154 40.739 40.800 0.155 0.000 0.948 256 D HN 0.440 nan 8.370 nan 0.000 0.460 257 R N -0.296 120.207 120.500 0.006 0.000 2.093 257 R HA 0.110 4.370 4.340 -0.133 0.000 0.224 257 R C 1.336 177.550 176.300 -0.143 0.000 1.101 257 R CA 0.872 56.938 56.100 -0.057 0.000 0.979 257 R CB 0.109 30.370 30.300 -0.065 0.000 0.877 257 R HN 0.198 nan 8.270 nan 0.000 0.441 258 N N -1.152 117.383 118.700 -0.275 0.000 2.360 258 N HA 0.063 4.723 4.740 -0.133 0.000 0.211 258 N C -0.050 175.046 175.510 -0.691 0.000 1.147 258 N CA 0.469 53.168 53.050 -0.584 0.000 0.866 258 N CB 0.774 38.670 38.487 -0.984 0.000 1.206 258 N HN 0.059 nan 8.380 nan 0.000 0.478 259 F N 0.306 120.272 119.950 0.027 0.000 2.805 259 F HA 0.421 4.866 4.527 -0.136 0.000 0.317 259 F C 1.421 177.214 175.800 -0.012 0.000 1.146 259 F CA -0.536 57.473 58.000 0.016 0.000 1.265 259 F CB 0.520 39.539 39.000 0.033 0.000 0.992 259 F HN -0.002 nan 8.300 nan 0.000 0.511 260 G N 0.578 109.419 108.800 0.068 0.000 2.184 260 G HA2 -0.341 3.539 3.960 -0.133 0.000 0.264 260 G HA3 -0.341 3.539 3.960 -0.133 0.000 0.264 260 G C 0.592 175.466 174.900 -0.042 0.000 0.975 260 G CA 0.581 45.689 45.100 0.014 0.000 0.642 260 G HN 0.548 nan 8.290 nan 0.000 0.536 261 T N -3.218 111.299 114.554 -0.060 0.000 2.698 261 T HA 0.582 4.852 4.350 -0.133 0.000 0.295 261 T C 0.691 175.244 174.700 -0.246 0.000 1.007 261 T CA 0.924 62.876 62.100 -0.248 0.000 0.980 261 T CB 1.957 70.581 68.868 -0.407 0.000 1.036 261 T HN 0.412 nan 8.240 nan 0.000 0.526 262 T N 0.151 114.453 114.554 -0.420 0.000 3.641 262 T HA 0.278 4.548 4.350 -0.133 0.000 0.313 262 T C 0.479 175.017 174.700 -0.269 0.000 0.952 262 T CA -0.477 61.474 62.100 -0.249 0.000 1.004 262 T CB -0.492 68.265 68.868 -0.184 0.000 1.209 262 T HN 0.487 nan 8.240 nan 0.000 0.493 263 F N 0.562 120.324 119.950 -0.313 0.000 2.161 263 F HA 0.085 4.532 4.527 -0.134 0.000 0.300 263 F C 1.115 176.617 175.800 -0.497 0.000 1.089 263 F CA 1.180 58.834 58.000 -0.577 0.000 1.282 263 F CB -0.184 38.127 39.000 -1.147 0.000 1.010 263 F HN 0.334 nan 8.300 nan 0.000 0.485 264 F N -1.065 119.008 119.950 0.205 0.000 2.735 264 F HA 0.284 4.730 4.527 -0.134 0.000 0.308 264 F C -0.012 175.826 175.800 0.064 0.000 1.112 264 F CA -0.695 57.380 58.000 0.124 0.000 1.235 264 F CB -0.395 38.661 39.000 0.094 0.000 1.027 264 F HN -0.231 nan 8.300 nan 0.000 0.528 265 Q N 1.194 121.083 119.800 0.149 0.000 2.368 265 Q HA 0.324 4.584 4.340 -0.133 0.000 0.263 265 Q C -2.188 173.849 176.000 0.062 0.000 1.009 265 Q CA -2.080 53.777 55.803 0.090 0.000 0.818 265 Q CB 1.706 30.473 28.738 0.048 0.000 1.239 265 Q HN 0.032 nan 8.270 nan 0.000 0.464 266 P HA -0.195 nan 4.420 nan 0.000 0.219 266 P C 1.371 178.690 177.300 0.032 0.000 1.146 266 P CA 1.475 64.607 63.100 0.053 0.000 0.808 266 P CB 0.281 32.014 31.700 0.056 0.000 0.779 267 S N -1.309 114.405 115.700 0.025 0.000 2.442 267 S HA -0.035 4.355 4.470 -0.133 0.000 0.236 267 S C 1.881 176.481 174.600 0.000 0.000 1.007 267 S CA 1.228 59.435 58.200 0.012 0.000 0.965 267 S CB -1.453 61.753 63.200 0.010 0.000 0.773 267 S HN 0.233 nan 8.310 nan 0.000 0.504 268 G N -0.483 108.313 108.800 -0.008 0.000 3.502 268 G HA2 0.487 4.367 3.960 -0.133 0.000 0.267 268 G HA3 0.487 4.367 3.960 -0.133 0.000 0.267 268 G C 0.872 175.757 174.900 -0.024 0.000 1.090 268 G CA -0.092 44.991 45.100 -0.028 0.000 0.795 268 G HN 1.286 nan 8.290 nan 0.000 0.535 269 G N -0.816 107.984 108.800 0.001 0.000 2.143 269 G HA2 -0.011 3.869 3.960 -0.133 0.000 0.248 269 G HA3 -0.011 3.869 3.960 -0.133 0.000 0.248 269 G C 0.758 175.675 174.900 0.028 0.000 0.991 269 G CA 0.265 45.373 45.100 0.013 0.000 0.689 269 G HN 1.013 nan 8.290 nan 0.000 0.522 270 G N -0.977 107.844 108.800 0.034 0.000 2.557 270 G HA2 0.539 4.419 3.960 -0.133 0.000 0.292 270 G HA3 0.539 4.419 3.960 -0.133 0.000 0.292 270 G C -0.737 174.241 174.900 0.130 0.000 1.237 270 G CA 0.417 45.562 45.100 0.075 0.000 0.978 270 G HN 0.511 nan 8.290 nan 0.000 0.498 271 D N -0.943 119.585 120.400 0.213 0.000 2.616 271 D HA 0.364 4.924 4.640 -0.133 0.000 0.238 271 D C -1.951 174.530 176.300 0.302 0.000 1.354 271 D CA -1.701 52.429 54.000 0.216 0.000 0.970 271 D CB 2.242 43.155 40.800 0.188 0.000 1.369 271 D HN -0.027 nan 8.370 nan 0.000 0.585 272 P HA -0.106 nan 4.420 nan 0.000 0.218 272 P C 1.532 178.841 177.300 0.015 0.000 1.149 272 P CA 0.448 63.608 63.100 0.101 0.000 0.817 272 P CB 0.401 32.122 31.700 0.035 0.000 0.785 273 V N -0.335 119.613 119.914 0.058 0.000 2.594 273 V HA -0.205 3.835 4.120 -0.133 0.000 0.253 273 V C 2.355 178.510 176.094 0.103 0.000 1.069 273 V CA 1.309 63.626 62.300 0.028 0.000 1.082 273 V CB -1.210 30.657 31.823 0.072 0.000 0.680 273 V HN 0.074 nan 8.190 nan 0.000 0.469 274 L N -0.124 121.231 121.223 0.220 0.000 2.046 274 L HA -0.201 4.059 4.340 -0.133 0.000 0.208 274 L C 2.286 179.255 176.870 0.164 0.000 1.077 274 L CA 2.168 57.182 54.840 0.290 0.000 0.747 274 L CB -0.941 41.336 42.059 0.365 0.000 0.896 274 L HN 0.474 nan 8.230 nan 0.000 0.432 275 Y N 0.169 120.357 120.300 -0.186 0.000 2.165 275 Y HA -0.316 4.154 4.550 -0.134 0.000 0.286 275 Y C 2.549 178.210 175.900 -0.398 0.000 1.155 275 Y CA 2.229 59.959 58.100 -0.617 0.000 1.164 275 Y CB -0.238 37.357 38.460 -1.441 0.000 0.978 275 Y HN 0.385 nan 8.280 nan 0.000 0.513 276 Q N -0.989 118.632 119.800 -0.299 0.000 2.084 276 Q HA -0.240 4.020 4.340 -0.133 0.000 0.202 276 Q C 2.094 178.020 176.000 -0.123 0.000 0.978 276 Q CA 1.569 57.199 55.803 -0.289 0.000 0.844 276 Q CB -0.311 28.284 28.738 -0.238 0.000 0.898 276 Q HN 0.648 nan 8.270 nan 0.000 0.426 277 H N 0.104 119.179 119.070 0.008 0.000 2.321 277 H HA -0.113 4.362 4.556 -0.134 0.000 0.300 277 H C 2.117 177.333 175.328 -0.187 0.000 1.087 277 H CA 1.173 57.261 56.048 0.066 0.000 1.319 277 H CB 0.137 29.978 29.762 0.132 0.000 1.379 277 H HN 0.211 nan 8.280 nan 0.000 0.501 278 I N 0.639 121.123 120.570 -0.144 0.000 2.202 278 I HA -0.200 3.890 4.170 -0.133 0.000 0.242 278 I C 2.737 178.680 176.117 -0.290 0.000 1.091 278 I CA 0.661 61.817 61.300 -0.240 0.000 1.368 278 I CB -1.349 36.504 38.000 -0.246 0.000 1.058 278 I HN 0.146 nan 8.210 nan 0.000 0.410 279 L N 0.189 121.051 121.223 -0.601 0.000 2.012 279 L HA -0.171 4.089 4.340 -0.133 0.000 0.210 279 L C 2.394 179.015 176.870 -0.415 0.000 1.073 279 L CA 1.905 56.342 54.840 -0.672 0.000 0.748 279 L CB -0.616 40.745 42.059 -1.163 0.000 0.891 279 L HN 0.182 nan 8.230 nan 0.000 0.431 280 W N -1.643 119.574 121.300 -0.138 0.000 2.519 280 W HA -0.115 4.466 4.660 -0.132 0.000 0.266 280 W C 2.274 178.783 176.519 -0.016 0.000 1.253 280 W CA 0.451 57.755 57.345 -0.068 0.000 1.274 280 W CB -0.335 29.150 29.460 0.043 0.000 1.114 280 W HN 0.164 nan 8.180 nan 0.000 0.596 281 F N 0.133 120.007 119.950 -0.127 0.000 2.154 281 F HA -0.284 4.163 4.527 -0.134 0.000 0.301 281 F C 2.268 178.085 175.800 0.029 0.000 1.087 281 F CA 1.957 59.830 58.000 -0.212 0.000 1.274 281 F CB -0.566 38.174 39.000 -0.434 0.000 1.009 281 F HN -0.018 nan 8.300 nan 0.000 0.485 282 F N 0.073 120.033 119.950 0.017 0.000 2.187 282 F HA 0.148 4.596 4.527 -0.132 0.000 0.295 282 F C 2.247 178.003 175.800 -0.073 0.000 1.091 282 F CA 1.410 59.390 58.000 -0.034 0.000 1.308 282 F CB -1.113 37.866 39.000 -0.034 0.000 1.030 282 F HN -0.109 nan 8.300 nan 0.000 0.487 283 G N -0.668 107.873 108.800 -0.433 0.000 2.418 283 G HA2 -0.334 3.546 3.960 -0.133 0.000 0.217 283 G HA3 -0.334 3.546 3.960 -0.133 0.000 0.217 283 G C 1.401 176.176 174.900 -0.209 0.000 1.158 283 G CA 1.270 46.072 45.100 -0.498 0.000 0.771 283 G HN 0.557 nan 8.290 nan 0.000 0.545 284 H N 1.635 120.715 119.070 0.017 0.000 2.276 284 H HA -0.008 4.468 4.556 -0.133 0.000 0.301 284 H C 0.225 175.490 175.328 -0.105 0.000 1.073 284 H CA 1.808 57.898 56.048 0.071 0.000 1.311 284 H CB -0.538 29.357 29.762 0.222 0.000 1.379 284 H HN 0.246 nan 8.280 nan 0.000 0.494 285 P HA -0.224 nan 4.420 nan 0.000 0.217 285 P C 1.204 178.296 177.300 -0.346 0.000 1.151 285 P CA 2.174 65.056 63.100 -0.363 0.000 0.849 285 P CB -0.079 31.103 31.700 -0.863 0.000 0.787 286 E N 0.191 120.037 120.200 -0.591 0.000 2.136 286 E HA -0.230 4.040 4.350 -0.133 0.000 0.202 286 E C 1.676 177.991 176.600 -0.474 0.000 1.019 286 E CA 2.230 58.264 56.400 -0.609 0.000 0.819 286 E CB -1.240 27.872 29.700 -0.980 0.000 0.739 286 E HN 0.191 nan 8.360 nan 0.000 0.458 287 V N -1.505 118.073 119.914 -0.560 0.000 2.667 287 V HA -0.111 3.929 4.120 -0.133 0.000 0.252 287 V C 1.778 177.490 176.094 -0.636 0.000 1.065 287 V CA 1.518 63.440 62.300 -0.630 0.000 1.083 287 V CB -0.954 30.418 31.823 -0.752 0.000 0.692 287 V HN 0.291 nan 8.190 nan 0.000 0.468 288 Y N 0.304 120.456 120.300 -0.246 0.000 2.420 288 Y HA 0.287 4.757 4.550 -0.134 0.000 0.292 288 Y C 2.297 178.098 175.900 -0.166 0.000 1.119 288 Y CA 1.112 59.127 58.100 -0.140 0.000 1.229 288 Y CB -0.382 38.063 38.460 -0.024 0.000 1.026 288 Y HN 0.183 nan 8.280 nan 0.000 0.554 289 I N -0.426 120.081 120.570 -0.105 0.000 2.286 289 I HA -0.298 3.792 4.170 -0.133 0.000 0.248 289 I C 1.971 177.979 176.117 -0.181 0.000 1.115 289 I CA 1.396 62.603 61.300 -0.155 0.000 1.392 289 I CB -0.342 37.533 38.000 -0.209 0.000 1.065 289 I HN 0.192 nan 8.210 nan 0.000 0.418 290 I N -0.301 120.131 120.570 -0.230 0.000 2.142 290 I HA -0.259 3.831 4.170 -0.133 0.000 0.240 290 I C 2.475 178.482 176.117 -0.183 0.000 1.078 290 I CA 1.316 62.488 61.300 -0.214 0.000 1.343 290 I CB -0.265 37.569 38.000 -0.278 0.000 1.046 290 I HN 0.036 nan 8.210 nan 0.000 0.405 291 V N 0.736 120.497 119.914 -0.256 0.000 3.052 291 V HA -0.071 3.969 4.120 -0.133 0.000 0.254 291 V C 2.163 177.915 176.094 -0.569 0.000 1.100 291 V CA 0.913 62.989 62.300 -0.373 0.000 1.112 291 V CB 0.110 31.675 31.823 -0.430 0.000 0.738 291 V HN 0.280 nan 8.190 nan 0.000 0.469 292 L N 0.534 121.543 121.223 -0.357 0.000 1.989 292 L HA -0.117 4.143 4.340 -0.133 0.000 0.211 292 L C -0.054 176.826 176.870 0.016 0.000 1.071 292 L CA 2.014 56.742 54.840 -0.188 0.000 0.749 292 L CB -1.774 40.308 42.059 0.037 0.000 0.890 292 L HN 0.338 nan 8.230 nan 0.000 0.431 293 P HA -0.154 nan 4.420 nan 0.000 0.219 293 P C 1.259 178.729 177.300 0.283 0.000 1.146 293 P CA 1.568 64.798 63.100 0.218 0.000 0.808 293 P CB 0.002 31.864 31.700 0.270 0.000 0.779 294 A N -1.391 121.481 122.820 0.087 0.000 1.929 294 A HA -0.144 4.096 4.320 -0.133 0.000 0.216 294 A C 1.819 179.374 177.584 -0.049 0.000 1.176 294 A CA 1.064 53.097 52.037 -0.007 0.000 0.628 294 A CB -1.567 17.404 19.000 -0.049 0.000 0.816 294 A HN 0.016 nan 8.150 nan 0.000 0.444 295 F N 0.670 120.596 119.950 -0.039 0.000 2.126 295 F HA -0.092 4.355 4.527 -0.132 0.000 0.299 295 F C 2.644 178.576 175.800 0.219 0.000 1.096 295 F CA 0.568 58.630 58.000 0.102 0.000 1.255 295 F CB -1.513 37.687 39.000 0.334 0.000 0.997 295 F HN 0.271 nan 8.300 nan 0.000 0.479 296 G N 0.279 109.362 108.800 0.472 0.000 2.446 296 G HA2 -0.236 3.644 3.960 -0.133 0.000 0.217 296 G HA3 -0.236 3.644 3.960 -0.133 0.000 0.217 296 G C 1.908 177.060 174.900 0.420 0.000 1.168 296 G CA 1.003 46.423 45.100 0.533 0.000 0.771 296 G HN 0.360 nan 8.290 nan 0.000 0.551 297 I N 0.300 121.015 120.570 0.241 0.000 2.226 297 I HA -0.158 3.932 4.170 -0.133 0.000 0.245 297 I C 2.769 178.704 176.117 -0.303 0.000 1.100 297 I CA 0.448 61.640 61.300 -0.179 0.000 1.374 297 I CB -0.178 37.652 38.000 -0.283 0.000 1.057 297 I HN 0.031 nan 8.210 nan 0.000 0.413 298 V N -0.055 119.653 119.914 -0.343 0.000 2.407 298 V HA -0.275 3.765 4.120 -0.133 0.000 0.248 298 V C 2.514 178.403 176.094 -0.341 0.000 1.055 298 V CA 2.076 64.026 62.300 -0.584 0.000 1.049 298 V CB -0.480 30.623 31.823 -1.201 0.000 0.662 298 V HN 0.378 nan 8.190 nan 0.000 0.455 299 S N -1.495 114.260 115.700 0.091 0.000 2.356 299 S HA -0.202 4.188 4.470 -0.133 0.000 0.223 299 S C 1.835 176.552 174.600 0.194 0.000 1.032 299 S CA 1.357 59.787 58.200 0.383 0.000 1.005 299 S CB -0.432 63.113 63.200 0.576 0.000 0.867 299 S HN 0.690 nan 8.310 nan 0.000 0.449 300 H N -0.070 118.984 119.070 -0.027 0.000 2.353 300 H HA -0.042 4.435 4.556 -0.133 0.000 0.300 300 H C 2.190 177.262 175.328 -0.426 0.000 1.090 300 H CA 1.562 57.532 56.048 -0.129 0.000 1.327 300 H CB -0.120 29.584 29.762 -0.097 0.000 1.383 300 H HN 0.219 nan 8.280 nan 0.000 0.508 301 V N 1.210 120.803 119.914 -0.535 0.000 2.323 301 V HA -0.206 3.834 4.120 -0.133 0.000 0.244 301 V C 2.581 178.521 176.094 -0.256 0.000 1.041 301 V CA 1.303 63.194 62.300 -0.682 0.000 1.025 301 V CB -0.340 31.074 31.823 -0.680 0.000 0.656 301 V HN 0.327 nan 8.190 nan 0.000 0.451 302 I N 0.451 120.908 120.570 -0.188 0.000 2.226 302 I HA -0.232 3.858 4.170 -0.133 0.000 0.245 302 I C 2.690 178.789 176.117 -0.030 0.000 1.100 302 I CA 1.427 62.684 61.300 -0.071 0.000 1.374 302 I CB -0.600 37.376 38.000 -0.041 0.000 1.057 302 I HN 0.306 nan 8.210 nan 0.000 0.413 303 A N 0.498 123.302 122.820 -0.028 0.000 1.883 303 A HA -0.224 4.016 4.320 -0.133 0.000 0.217 303 A C 2.384 179.903 177.584 -0.107 0.000 1.186 303 A CA 2.548 54.571 52.037 -0.024 0.000 0.624 303 A CB -1.101 17.900 19.000 0.002 0.000 0.822 303 A HN 0.365 nan 8.150 nan 0.000 0.444 304 T N -0.696 113.725 114.554 -0.221 0.000 2.652 304 T HA -0.118 4.152 4.350 -0.133 0.000 0.267 304 T C 1.359 175.737 174.700 -0.536 0.000 1.039 304 T CA 1.848 63.688 62.100 -0.433 0.000 1.153 304 T CB -0.398 68.049 68.868 -0.702 0.000 0.863 304 T HN 0.439 nan 8.240 nan 0.000 0.428 305 F N 0.630 120.454 119.950 -0.210 0.000 2.743 305 F HA 0.428 4.875 4.527 -0.134 0.000 0.297 305 F C 2.247 177.957 175.800 -0.149 0.000 1.131 305 F CA -0.101 57.781 58.000 -0.197 0.000 1.426 305 F CB -0.283 38.559 39.000 -0.264 0.000 1.116 305 F HN 0.109 nan 8.300 nan 0.000 0.583 306 A N -0.105 122.703 122.820 -0.021 0.000 2.123 306 A HA 0.025 4.265 4.320 -0.133 0.000 0.214 306 A C 1.200 178.693 177.584 -0.151 0.000 1.152 306 A CA 0.128 52.134 52.037 -0.051 0.000 0.728 306 A CB -0.400 18.592 19.000 -0.014 0.000 0.814 306 A HN 0.277 nan 8.150 nan 0.000 0.464 307 K N -1.123 119.128 120.400 -0.248 0.000 3.150 307 K HA -0.186 4.054 4.320 -0.133 0.000 0.267 307 K C -0.393 175.688 176.600 -0.866 0.000 1.028 307 K CA 1.270 57.186 56.287 -0.620 0.000 0.753 307 K CB -1.512 30.704 32.500 -0.472 0.000 1.288 307 K HN 0.649 nan 8.250 nan 0.000 0.473 308 K N 0.191 120.362 120.400 -0.382 0.000 2.561 308 K HA 0.316 4.556 4.320 -0.133 0.000 0.254 308 K C -2.971 173.630 176.600 0.002 0.000 0.942 308 K CA -1.815 54.382 56.287 -0.150 0.000 0.818 308 K CB 1.996 34.459 32.500 -0.062 0.000 1.306 308 K HN -0.307 nan 8.250 nan 0.000 0.435 309 P HA 0.041 nan 4.420 nan 0.000 0.269 309 P C -0.440 176.921 177.300 0.103 0.000 1.215 309 P CA -0.497 62.650 63.100 0.079 0.000 0.780 309 P CB 0.374 32.110 31.700 0.061 0.000 0.898 310 I N 2.801 123.441 120.570 0.118 0.000 2.683 310 I HA 0.018 4.108 4.170 -0.133 0.000 0.286 310 I C -0.088 176.137 176.117 0.179 0.000 1.175 310 I CA 0.028 61.433 61.300 0.176 0.000 1.429 310 I CB -0.550 37.567 38.000 0.195 0.000 1.371 310 I HN 0.138 nan 8.210 nan 0.000 0.569 311 F N 7.826 127.817 119.950 0.067 0.000 2.484 311 F HA 0.433 4.880 4.527 -0.134 0.000 0.360 311 F C 1.258 177.059 175.800 0.002 0.000 1.101 311 F CA 0.269 58.292 58.000 0.038 0.000 1.251 311 F CB 0.344 39.368 39.000 0.039 0.000 1.132 311 F HN 0.752 nan 8.300 nan 0.000 0.570 312 G N 6.051 114.651 108.800 -0.334 0.000 2.350 312 G HA2 -0.401 3.479 3.960 -0.133 0.000 0.298 312 G HA3 -0.401 3.479 3.960 -0.133 0.000 0.298 312 G C 0.523 175.384 174.900 -0.065 0.000 1.037 312 G CA 0.648 45.645 45.100 -0.171 0.000 1.074 312 G HN 1.061 nan 8.290 nan 0.000 0.511 313 Y N 0.076 120.288 120.300 -0.147 0.000 2.062 313 Y HA -0.239 4.231 4.550 -0.134 0.000 0.276 313 Y C 2.488 178.248 175.900 -0.233 0.000 1.189 313 Y CA 2.622 60.644 58.100 -0.129 0.000 1.130 313 Y CB -0.254 38.151 38.460 -0.091 0.000 0.959 313 Y HN 0.387 nan 8.280 nan 0.000 0.499 314 L N 0.551 121.600 121.223 -0.289 0.000 1.994 314 L HA -0.096 4.164 4.340 -0.133 0.000 0.208 314 L C -0.573 175.926 176.870 -0.619 0.000 1.071 314 L CA 2.081 56.562 54.840 -0.598 0.000 0.745 314 L CB -1.977 39.834 42.059 -0.413 0.000 0.892 314 L HN 0.151 nan 8.230 nan 0.000 0.431 315 P HA -0.173 nan 4.420 nan 0.000 0.217 315 P C 1.942 179.112 177.300 -0.216 0.000 1.148 315 P CA 1.297 64.308 63.100 -0.149 0.000 0.828 315 P CB -0.087 31.581 31.700 -0.054 0.000 0.783 316 M N -1.251 118.170 119.600 -0.298 0.000 2.086 316 M HA -0.098 4.302 4.480 -0.133 0.000 0.261 316 M C 2.047 178.148 176.300 -0.332 0.000 1.067 316 M CA 1.539 56.654 55.300 -0.307 0.000 1.116 316 M CB -1.618 30.819 32.600 -0.273 0.000 1.348 316 M HN -0.147 nan 8.290 nan 0.000 0.407 317 V N -0.757 118.813 119.914 -0.575 0.000 2.295 317 V HA -0.272 3.768 4.120 -0.133 0.000 0.246 317 V C 2.290 178.163 176.094 -0.369 0.000 1.049 317 V CA 1.620 63.512 62.300 -0.681 0.000 1.024 317 V CB -0.980 30.067 31.823 -1.294 0.000 0.648 317 V HN 0.261 nan 8.190 nan 0.000 0.447 318 Y N 0.551 120.655 120.300 -0.327 0.000 2.373 318 Y HA 0.023 4.492 4.550 -0.134 0.000 0.293 318 Y C 2.480 178.299 175.900 -0.136 0.000 1.129 318 Y CA 0.374 58.348 58.100 -0.211 0.000 1.226 318 Y CB -1.245 37.109 38.460 -0.177 0.000 1.000 318 Y HN 0.202 nan 8.280 nan 0.000 0.549 319 A N -0.274 122.553 122.820 0.011 0.000 1.930 319 A HA -0.182 4.058 4.320 -0.133 0.000 0.217 319 A C 2.323 179.926 177.584 0.031 0.000 1.175 319 A CA 1.592 53.623 52.037 -0.011 0.000 0.627 319 A CB -0.679 18.268 19.000 -0.088 0.000 0.815 319 A HN 0.380 nan 8.150 nan 0.000 0.443 320 M N -0.703 118.922 119.600 0.040 0.000 2.175 320 M HA -0.117 4.283 4.480 -0.133 0.000 0.264 320 M C 2.084 178.453 176.300 0.115 0.000 1.063 320 M CA 1.230 56.610 55.300 0.134 0.000 1.119 320 M CB -0.420 32.283 32.600 0.170 0.000 1.377 320 M HN 0.266 nan 8.290 nan 0.000 0.415 321 V N 0.391 120.351 119.914 0.077 0.000 2.358 321 V HA -0.229 3.811 4.120 -0.133 0.000 0.246 321 V C 2.647 178.770 176.094 0.048 0.000 1.047 321 V CA 1.978 64.323 62.300 0.075 0.000 1.035 321 V CB -1.205 30.662 31.823 0.074 0.000 0.658 321 V HN 0.497 nan 8.190 nan 0.000 0.452 322 A N 0.295 123.134 122.820 0.031 0.000 1.877 322 A HA -0.156 4.084 4.320 -0.133 0.000 0.216 322 A C 2.160 179.740 177.584 -0.006 0.000 1.186 322 A CA 1.761 53.801 52.037 0.006 0.000 0.620 322 A CB -0.491 18.507 19.000 -0.003 0.000 0.822 322 A HN 0.402 nan 8.150 nan 0.000 0.443 323 I N 0.056 120.633 120.570 0.011 0.000 2.163 323 I HA -0.236 3.854 4.170 -0.133 0.000 0.243 323 I C 2.714 178.751 176.117 -0.134 0.000 1.085 323 I CA 1.741 63.010 61.300 -0.051 0.000 1.347 323 I CB -1.993 36.069 38.000 0.103 0.000 1.044 323 I HN 0.373 nan 8.210 nan 0.000 0.408 324 G N 0.728 109.531 108.800 0.005 0.000 2.446 324 G HA2 -0.166 3.714 3.960 -0.133 0.000 0.217 324 G HA3 -0.166 3.714 3.960 -0.133 0.000 0.217 324 G C 1.863 176.837 174.900 0.123 0.000 1.168 324 G CA 1.016 46.156 45.100 0.066 0.000 0.771 324 G HN 0.272 nan 8.290 nan 0.000 0.551 325 V N 0.846 120.816 119.914 0.095 0.000 2.270 325 V HA -0.079 3.961 4.120 -0.133 0.000 0.245 325 V C 2.917 179.081 176.094 0.116 0.000 1.043 325 V CA 1.431 63.807 62.300 0.126 0.000 1.014 325 V CB -0.466 31.384 31.823 0.046 0.000 0.645 325 V HN 0.334 nan 8.190 nan 0.000 0.447 326 L N 0.646 121.874 121.223 0.009 0.000 2.127 326 L HA -0.128 4.132 4.340 -0.133 0.000 0.211 326 L C 2.488 179.296 176.870 -0.104 0.000 1.089 326 L CA 1.599 56.416 54.840 -0.039 0.000 0.757 326 L CB -1.011 40.995 42.059 -0.088 0.000 0.899 326 L HN 0.497 nan 8.230 nan 0.000 0.434 327 G N -1.167 107.506 108.800 -0.212 0.000 2.586 327 G HA2 -0.231 3.649 3.960 -0.133 0.000 0.215 327 G HA3 -0.231 3.649 3.960 -0.133 0.000 0.215 327 G C 1.119 175.901 174.900 -0.196 0.000 1.128 327 G CA 0.198 45.126 45.100 -0.286 0.000 0.774 327 G HN 0.294 nan 8.290 nan 0.000 0.543 328 F N -0.313 119.628 119.950 -0.015 0.000 2.695 328 F HA 0.201 4.647 4.527 -0.134 0.000 0.303 328 F C 1.683 177.606 175.800 0.204 0.000 1.091 328 F CA 0.034 58.013 58.000 -0.036 0.000 1.300 328 F CB 1.094 40.054 39.000 -0.067 0.000 1.071 328 F HN 0.078 nan 8.300 nan 0.000 0.578 329 V N -1.975 118.146 119.914 0.345 0.000 2.988 329 V HA 0.289 4.329 4.120 -0.133 0.000 0.356 329 V C 0.373 176.594 176.094 0.212 0.000 1.380 329 V CA 0.336 62.875 62.300 0.398 0.000 1.184 329 V CB -0.169 31.829 31.823 0.292 0.000 1.204 329 V HN 0.015 nan 8.190 nan 0.000 0.530 330 V N -3.826 116.192 119.914 0.173 0.000 3.398 330 V HA 0.300 4.340 4.120 -0.133 0.000 0.298 330 V C 1.628 177.535 176.094 -0.312 0.000 1.496 330 V CA 0.356 62.656 62.300 -0.000 0.000 1.044 330 V CB -0.585 31.130 31.823 -0.180 0.000 0.880 330 V HN 0.723 nan 8.190 nan 0.000 0.443 331 W N 2.003 123.255 121.300 -0.080 0.000 2.350 331 W HA 0.104 4.685 4.660 -0.132 0.000 0.289 331 W C 1.809 178.017 176.519 -0.518 0.000 1.215 331 W CA 1.645 58.866 57.345 -0.207 0.000 1.236 331 W CB -0.909 28.612 29.460 0.102 0.000 1.130 331 W HN 0.244 nan 8.180 nan 0.000 0.541 332 A N 1.810 123.749 122.820 -1.468 0.000 2.235 332 A HA -0.094 4.146 4.320 -0.133 0.000 0.208 332 A C 1.779 178.708 177.584 -1.092 0.000 1.172 332 A CA 0.942 52.199 52.037 -1.300 0.000 0.786 332 A CB -1.811 16.070 19.000 -1.865 0.000 0.804 332 A HN 0.775 nan 8.150 nan 0.000 0.479 333 H N -2.533 115.954 119.070 -0.971 0.000 2.560 333 H HA -0.042 4.434 4.556 -0.134 0.000 0.283 333 H C 0.648 175.215 175.328 -1.269 0.000 1.028 333 H CA 1.022 56.250 56.048 -1.366 0.000 1.221 333 H CB -0.327 28.959 29.762 -0.792 0.000 1.363 333 H HN 0.661 nan 8.280 nan 0.000 0.594 334 H N 0.292 118.911 119.070 -0.752 0.000 2.526 334 H HA 0.222 4.699 4.556 -0.133 0.000 0.274 334 H C 0.607 175.557 175.328 -0.630 0.000 0.999 334 H CA 0.254 55.806 56.048 -0.828 0.000 1.157 334 H CB 0.505 29.170 29.762 -1.828 0.000 1.407 334 H HN 0.491 nan 8.280 nan 0.000 0.568 335 M N -0.758 118.529 119.600 -0.521 0.000 2.687 335 M HA 0.075 4.475 4.480 -0.133 0.000 0.413 335 M C 0.320 176.488 176.300 -0.219 0.000 1.216 335 M CA -0.163 54.946 55.300 -0.318 0.000 0.871 335 M CB 0.678 33.107 32.600 -0.285 0.000 1.481 335 M HN -0.048 nan 8.290 nan 0.000 0.521 336 Y N 0.900 121.054 120.300 -0.244 0.000 2.315 336 Y HA -0.141 4.329 4.550 -0.133 0.000 0.288 336 Y C 2.737 178.548 175.900 -0.148 0.000 1.154 336 Y CA 1.824 59.823 58.100 -0.169 0.000 1.229 336 Y CB -0.964 37.410 38.460 -0.142 0.000 0.980 336 Y HN 0.365 nan 8.280 nan 0.000 0.540 337 T N -4.075 110.432 114.554 -0.079 0.000 3.105 337 T HA 0.493 4.763 4.350 -0.133 0.000 0.253 337 T C 1.408 176.099 174.700 -0.015 0.000 1.047 337 T CA 0.309 62.380 62.100 -0.047 0.000 0.944 337 T CB -0.056 68.777 68.868 -0.058 0.000 1.016 337 T HN 0.169 nan 8.240 nan 0.000 0.544 338 A N 0.659 123.464 122.820 -0.024 0.000 2.345 338 A HA 0.703 4.943 4.320 -0.133 0.000 0.225 338 A C 1.702 179.306 177.584 0.034 0.000 1.243 338 A CA 0.114 52.157 52.037 0.010 0.000 0.875 338 A CB -0.679 18.312 19.000 -0.014 0.000 0.929 338 A HN 1.303 nan 8.150 nan 0.000 0.502 339 G N -0.820 108.007 108.800 0.045 0.000 2.141 339 G HA2 -0.130 3.750 3.960 -0.133 0.000 0.164 339 G HA3 -0.130 3.750 3.960 -0.133 0.000 0.164 339 G C -0.098 174.854 174.900 0.086 0.000 1.009 339 G CA -0.188 44.951 45.100 0.064 0.000 0.677 339 G HN 0.318 nan 8.290 nan 0.000 0.508 340 L N 2.102 123.380 121.223 0.091 0.000 2.380 340 L HA 0.466 4.726 4.340 -0.133 0.000 0.273 340 L C 1.660 178.600 176.870 0.115 0.000 1.138 340 L CA 0.117 55.034 54.840 0.129 0.000 0.832 340 L CB 1.168 43.313 42.059 0.144 0.000 1.124 340 L HN 0.516 nan 8.230 nan 0.000 0.454 341 S N 2.499 118.272 115.700 0.122 0.000 2.576 341 S HA -0.023 4.367 4.470 -0.133 0.000 0.272 341 S C 0.951 175.606 174.600 0.092 0.000 1.352 341 S CA -0.569 57.688 58.200 0.095 0.000 1.021 341 S CB 0.790 64.045 63.200 0.091 0.000 0.887 341 S HN 0.571 nan 8.310 nan 0.000 0.542 342 L N 2.585 123.844 121.223 0.060 0.000 2.079 342 L HA -0.019 4.241 4.340 -0.133 0.000 0.210 342 L C 2.456 179.360 176.870 0.058 0.000 1.081 342 L CA 2.323 57.188 54.840 0.042 0.000 0.752 342 L CB -1.741 40.330 42.059 0.020 0.000 0.896 342 L HN 0.988 nan 8.230 nan 0.000 0.433 343 T N -0.740 113.854 114.554 0.068 0.000 2.674 343 T HA -0.207 4.063 4.350 -0.133 0.000 0.265 343 T C 1.798 176.577 174.700 0.133 0.000 1.039 343 T CA 1.751 63.896 62.100 0.075 0.000 1.150 343 T CB -0.139 68.761 68.868 0.052 0.000 0.864 343 T HN 0.478 nan 8.240 nan 0.000 0.427 344 Q N 0.732 120.638 119.800 0.178 0.000 2.061 344 Q HA -0.184 4.076 4.340 -0.133 0.000 0.204 344 Q C 2.598 178.854 176.000 0.427 0.000 0.984 344 Q CA 1.521 57.520 55.803 0.326 0.000 0.846 344 Q CB -0.216 28.727 28.738 0.341 0.000 0.902 344 Q HN 0.602 nan 8.270 nan 0.000 0.421 345 Q N -0.169 119.798 119.800 0.279 0.000 2.096 345 Q HA -0.146 4.114 4.340 -0.133 0.000 0.204 345 Q C 2.297 178.378 176.000 0.134 0.000 0.982 345 Q CA 1.538 57.480 55.803 0.232 0.000 0.850 345 Q CB -0.020 28.747 28.738 0.048 0.000 0.901 345 Q HN 0.246 nan 8.270 nan 0.000 0.422 346 S N 0.087 115.835 115.700 0.080 0.000 2.368 346 S HA -0.171 4.219 4.470 -0.133 0.000 0.224 346 S C 1.616 176.233 174.600 0.029 0.000 1.029 346 S CA 1.186 59.401 58.200 0.024 0.000 0.988 346 S CB -0.384 62.828 63.200 0.020 0.000 0.838 346 S HN 0.457 nan 8.310 nan 0.000 0.462 347 Y N 1.533 121.816 120.300 -0.028 0.000 2.114 347 Y HA -0.128 4.342 4.550 -0.134 0.000 0.284 347 Y C 1.768 177.570 175.900 -0.163 0.000 1.143 347 Y CA 1.334 59.343 58.100 -0.152 0.000 1.135 347 Y CB -0.721 37.557 38.460 -0.303 0.000 0.980 347 Y HN 0.182 nan 8.280 nan 0.000 0.499 348 F N 0.144 119.912 119.950 -0.303 0.000 2.216 348 F HA -0.227 4.220 4.527 -0.133 0.000 0.300 348 F C 2.709 178.381 175.800 -0.214 0.000 1.085 348 F CA 1.759 59.519 58.000 -0.399 0.000 1.326 348 F CB -0.591 38.318 39.000 -0.152 0.000 1.027 348 F HN 0.207 nan 8.300 nan 0.000 0.497 349 M N -0.501 119.165 119.600 0.111 0.000 2.086 349 M HA -0.258 4.142 4.480 -0.133 0.000 0.261 349 M C 2.112 178.366 176.300 -0.076 0.000 1.067 349 M CA 1.880 57.217 55.300 0.062 0.000 1.116 349 M CB -0.177 32.398 32.600 -0.042 0.000 1.348 349 M HN 0.172 nan 8.290 nan 0.000 0.407 350 M N -0.025 119.475 119.600 -0.167 0.000 2.099 350 M HA -0.095 4.305 4.480 -0.133 0.000 0.262 350 M C 2.433 178.597 176.300 -0.227 0.000 1.067 350 M CA 1.633 56.830 55.300 -0.171 0.000 1.124 350 M CB -0.591 31.924 32.600 -0.141 0.000 1.353 350 M HN 0.534 nan 8.290 nan 0.000 0.410 351 A N 0.161 122.715 122.820 -0.443 0.000 1.892 351 A HA -0.203 4.037 4.320 -0.133 0.000 0.218 351 A C 2.179 179.639 177.584 -0.205 0.000 1.188 351 A CA 2.537 54.328 52.037 -0.410 0.000 0.631 351 A CB -1.357 17.167 19.000 -0.793 0.000 0.822 351 A HN 0.486 nan 8.150 nan 0.000 0.447 352 T N 0.016 114.484 114.554 -0.144 0.000 2.684 352 T HA -0.194 4.076 4.350 -0.133 0.000 0.267 352 T C 1.914 176.588 174.700 -0.044 0.000 1.036 352 T CA 1.868 63.947 62.100 -0.035 0.000 1.148 352 T CB -0.351 68.562 68.868 0.075 0.000 0.863 352 T HN 0.457 nan 8.240 nan 0.000 0.436 353 M N 0.657 120.224 119.600 -0.056 0.000 2.195 353 M HA -0.120 4.280 4.480 -0.133 0.000 0.260 353 M C 2.347 178.627 176.300 -0.033 0.000 1.066 353 M CA 1.146 56.420 55.300 -0.043 0.000 1.089 353 M CB -0.610 31.960 32.600 -0.048 0.000 1.377 353 M HN 0.107 nan 8.290 nan 0.000 0.411 354 V N 0.550 120.435 119.914 -0.048 0.000 2.392 354 V HA -0.276 3.764 4.120 -0.133 0.000 0.249 354 V C 2.130 178.213 176.094 -0.018 0.000 1.059 354 V CA 1.681 63.959 62.300 -0.036 0.000 1.051 354 V CB -0.679 31.115 31.823 -0.049 0.000 0.658 354 V HN 0.477 nan 8.190 nan 0.000 0.455 355 I N 0.734 121.294 120.570 -0.017 0.000 2.315 355 I HA -0.306 3.784 4.170 -0.133 0.000 0.251 355 I C 2.596 178.746 176.117 0.055 0.000 1.125 355 I CA 1.446 62.754 61.300 0.013 0.000 1.392 355 I CB -0.560 37.455 38.000 0.025 0.000 1.065 355 I HN 0.325 nan 8.210 nan 0.000 0.424 356 A N 0.277 123.121 122.820 0.041 0.000 2.024 356 A HA -0.134 4.106 4.320 -0.133 0.000 0.220 356 A C 2.383 179.985 177.584 0.030 0.000 1.164 356 A CA 1.622 53.684 52.037 0.042 0.000 0.643 356 A CB -0.698 18.314 19.000 0.020 0.000 0.806 356 A HN 0.279 nan 8.150 nan 0.000 0.451 357 V N 0.904 120.832 119.914 0.024 0.000 2.255 357 V HA -0.119 3.921 4.120 -0.133 0.000 0.243 357 V C -0.045 176.056 176.094 0.012 0.000 1.038 357 V CA 2.128 64.443 62.300 0.024 0.000 1.008 357 V CB -1.601 30.233 31.823 0.018 0.000 0.645 357 V HN 0.417 nan 8.190 nan 0.000 0.449 358 P HA -0.119 nan 4.420 nan 0.000 0.218 358 P C 1.665 178.938 177.300 -0.045 0.000 1.149 358 P CA 1.639 64.732 63.100 -0.013 0.000 0.817 358 P CB -0.252 31.450 31.700 0.004 0.000 0.785 359 T N -0.303 114.254 114.554 0.006 0.000 2.777 359 T HA -0.069 4.201 4.350 -0.133 0.000 0.266 359 T C 2.166 176.787 174.700 -0.132 0.000 1.040 359 T CA 1.793 63.895 62.100 0.004 0.000 1.141 359 T CB -1.242 67.754 68.868 0.214 0.000 0.868 359 T HN 0.191 nan 8.240 nan 0.000 0.444 360 G N 1.336 110.054 108.800 -0.137 0.000 2.442 360 G HA2 -0.170 3.710 3.960 -0.133 0.000 0.219 360 G HA3 -0.170 3.710 3.960 -0.133 0.000 0.219 360 G C 1.530 176.199 174.900 -0.385 0.000 1.141 360 G CA 0.551 45.440 45.100 -0.353 0.000 0.763 360 G HN 0.492 nan 8.290 nan 0.000 0.554 361 I N 0.383 120.878 120.570 -0.125 0.000 2.208 361 I HA -0.188 3.902 4.170 -0.133 0.000 0.245 361 I C 2.810 178.778 176.117 -0.248 0.000 1.097 361 I CA 1.316 62.578 61.300 -0.063 0.000 1.363 361 I CB -0.099 37.878 38.000 -0.039 0.000 1.051 361 I HN 0.150 nan 8.210 nan 0.000 0.413 362 K N 0.450 120.585 120.400 -0.442 0.000 2.057 362 K HA -0.129 4.111 4.320 -0.133 0.000 0.206 362 K C 2.079 178.120 176.600 -0.931 0.000 1.050 362 K CA 1.333 57.084 56.287 -0.893 0.000 0.935 362 K CB -0.203 31.603 32.500 -1.157 0.000 0.715 362 K HN 0.184 nan 8.250 nan 0.000 0.439 363 I N 0.439 120.740 120.570 -0.449 0.000 2.226 363 I HA -0.247 3.843 4.170 -0.133 0.000 0.245 363 I C 1.885 177.969 176.117 -0.056 0.000 1.100 363 I CA 1.408 62.674 61.300 -0.058 0.000 1.374 363 I CB -0.201 37.709 38.000 -0.150 0.000 1.057 363 I HN -0.007 nan 8.210 nan 0.000 0.413 364 F N 0.123 120.042 119.950 -0.052 0.000 2.206 364 F HA -0.116 4.331 4.527 -0.133 0.000 0.298 364 F C 2.696 178.383 175.800 -0.189 0.000 1.090 364 F CA 0.980 58.921 58.000 -0.099 0.000 1.323 364 F CB -1.364 37.553 39.000 -0.137 0.000 1.028 364 F HN -0.059 nan 8.300 nan 0.000 0.492 365 S N -1.046 114.608 115.700 -0.077 0.000 2.402 365 S HA -0.164 4.226 4.470 -0.133 0.000 0.229 365 S C 1.858 176.448 174.600 -0.016 0.000 1.021 365 S CA 0.785 58.901 58.200 -0.140 0.000 0.974 365 S CB -0.359 62.773 63.200 -0.114 0.000 0.800 365 S HN 0.378 nan 8.310 nan 0.000 0.484 366 W N 1.705 123.025 121.300 0.034 0.000 2.407 366 W HA 0.135 4.715 4.660 -0.134 0.000 0.305 366 W C 2.022 178.582 176.519 0.070 0.000 1.196 366 W CA 0.037 57.412 57.345 0.051 0.000 1.311 366 W CB -1.136 28.348 29.460 0.041 0.000 1.135 366 W HN 0.297 nan 8.180 nan 0.000 0.514 367 I N 0.599 121.351 120.570 0.302 0.000 2.208 367 I HA -0.287 3.803 4.170 -0.133 0.000 0.245 367 I C 2.555 178.790 176.117 0.198 0.000 1.097 367 I CA 1.686 63.136 61.300 0.251 0.000 1.363 367 I CB -1.061 37.093 38.000 0.257 0.000 1.051 367 I HN -0.184 nan 8.210 nan 0.000 0.413 368 A N 0.314 123.135 122.820 0.001 0.000 2.019 368 A HA -0.172 4.068 4.320 -0.133 0.000 0.219 368 A C 2.358 179.997 177.584 0.093 0.000 1.164 368 A CA 2.207 54.137 52.037 -0.179 0.000 0.644 368 A CB -0.969 17.448 19.000 -0.971 0.000 0.805 368 A HN 0.408 nan 8.150 nan 0.000 0.449 369 T N 0.145 114.808 114.554 0.181 0.000 2.777 369 T HA -0.115 4.155 4.350 -0.133 0.000 0.266 369 T C 1.920 176.735 174.700 0.192 0.000 1.040 369 T CA 1.703 63.949 62.100 0.243 0.000 1.141 369 T CB -0.290 68.735 68.868 0.261 0.000 0.868 369 T HN 0.486 nan 8.240 nan 0.000 0.444 370 M N -0.544 119.169 119.600 0.188 0.000 2.175 370 M HA 0.017 4.417 4.480 -0.133 0.000 0.264 370 M C 1.035 177.409 176.300 0.124 0.000 1.063 370 M CA 0.582 55.959 55.300 0.127 0.000 1.119 370 M CB -0.183 32.489 32.600 0.120 0.000 1.377 370 M HN 0.299 nan 8.290 nan 0.000 0.415 371 W N 2.032 123.344 121.300 0.020 0.000 2.347 371 W HA 0.081 4.660 4.660 -0.134 0.000 0.333 371 W C 0.946 177.477 176.519 0.021 0.000 1.383 371 W CA 1.887 59.238 57.345 0.010 0.000 1.283 371 W CB 0.099 29.553 29.460 -0.010 0.000 1.253 371 W HN 0.617 nan 8.180 nan 0.000 0.563 372 G N 3.556 112.313 108.800 -0.072 0.000 2.162 372 G HA2 -0.252 3.628 3.960 -0.133 0.000 0.260 372 G HA3 -0.252 3.628 3.960 -0.133 0.000 0.260 372 G C 0.352 175.247 174.900 -0.009 0.000 0.976 372 G CA 0.158 45.262 45.100 0.008 0.000 0.655 372 G HN 0.924 nan 8.290 nan 0.000 0.533 373 G N -0.955 107.823 108.800 -0.036 0.000 2.531 373 G HA2 0.554 4.434 3.960 -0.133 0.000 0.281 373 G HA3 0.554 4.434 3.960 -0.133 0.000 0.281 373 G C 0.146 175.001 174.900 -0.075 0.000 1.382 373 G CA 0.606 45.675 45.100 -0.052 0.000 1.045 373 G HN 1.040 nan 8.290 nan 0.000 0.533 374 S N 0.080 115.731 115.700 -0.082 0.000 2.399 374 S HA 0.370 4.760 4.470 -0.133 0.000 0.215 374 S C -0.174 174.397 174.600 -0.049 0.000 1.456 374 S CA -0.723 57.438 58.200 -0.064 0.000 1.199 374 S CB -0.368 62.798 63.200 -0.056 0.000 1.063 374 S HN 0.334 nan 8.310 nan 0.000 0.476 375 I N 3.618 124.160 120.570 -0.047 0.000 2.471 375 I HA 0.279 4.369 4.170 -0.133 0.000 0.286 375 I C 0.681 176.793 176.117 -0.008 0.000 1.079 375 I CA -0.005 61.277 61.300 -0.030 0.000 1.398 375 I CB 0.536 38.504 38.000 -0.052 0.000 1.403 375 I HN 0.648 nan 8.210 nan 0.000 0.530 376 E N 6.732 126.954 120.200 0.036 0.000 2.133 376 E HA 0.345 4.615 4.350 -0.133 0.000 0.274 376 E C -0.704 175.869 176.600 -0.044 0.000 0.930 376 E CA -0.586 55.846 56.400 0.053 0.000 0.770 376 E CB 1.093 30.899 29.700 0.176 0.000 1.104 376 E HN 0.560 nan 8.360 nan 0.000 0.403 377 L N 5.290 126.457 121.223 -0.093 0.000 2.998 377 L HA 0.207 4.467 4.340 -0.133 0.000 0.234 377 L C 0.454 177.164 176.870 -0.267 0.000 1.350 377 L CA -0.266 54.455 54.840 -0.199 0.000 1.202 377 L CB -0.477 41.494 42.059 -0.146 0.000 1.583 377 L HN 0.321 nan 8.230 nan 0.000 0.456 378 K N -0.244 119.938 120.400 -0.362 0.000 2.149 378 K HA 0.160 4.400 4.320 -0.133 0.000 0.245 378 K C 1.311 177.593 176.600 -0.530 0.000 1.024 378 K CA -0.148 55.927 56.287 -0.355 0.000 0.899 378 K CB 0.997 33.301 32.500 -0.326 0.000 1.038 378 K HN 0.030 nan 8.250 nan 0.000 0.496 379 T N 2.474 116.830 114.554 -0.330 0.000 2.635 379 T HA -0.124 4.146 4.350 -0.133 0.000 0.267 379 T C -1.100 173.292 174.700 -0.513 0.000 1.040 379 T CA 1.672 63.471 62.100 -0.502 0.000 1.156 379 T CB -0.802 67.745 68.868 -0.536 0.000 0.863 379 T HN 0.466 nan 8.240 nan 0.000 0.430 380 P HA -0.071 nan 4.420 nan 0.000 0.216 380 P C 1.541 178.572 177.300 -0.449 0.000 1.150 380 P CA 0.988 63.925 63.100 -0.271 0.000 0.843 380 P CB -0.106 31.420 31.700 -0.290 0.000 0.787 381 M N -1.212 117.916 119.600 -0.786 0.000 2.175 381 M HA -0.051 4.349 4.480 -0.133 0.000 0.264 381 M C 1.859 177.844 176.300 -0.526 0.000 1.063 381 M CA 1.613 56.560 55.300 -0.589 0.000 1.119 381 M CB -1.364 30.866 32.600 -0.617 0.000 1.377 381 M HN -0.200 nan 8.290 nan 0.000 0.415 382 L N -1.639 119.118 121.223 -0.777 0.000 2.012 382 L HA -0.243 4.017 4.340 -0.133 0.000 0.210 382 L C 2.207 178.445 176.870 -1.053 0.000 1.073 382 L CA 1.699 55.790 54.840 -1.248 0.000 0.748 382 L CB -0.905 39.910 42.059 -2.073 0.000 0.891 382 L HN 0.420 nan 8.230 nan 0.000 0.431 383 W N -0.363 120.597 121.300 -0.566 0.000 2.338 383 W HA -0.199 4.382 4.660 -0.132 0.000 0.304 383 W C 2.748 179.331 176.519 0.106 0.000 1.212 383 W CA 0.894 58.195 57.345 -0.074 0.000 1.264 383 W CB -0.441 28.969 29.460 -0.084 0.000 1.142 383 W HN 0.112 nan 8.180 nan 0.000 0.512 384 A N 0.266 123.140 122.820 0.089 0.000 1.902 384 A HA -0.179 4.061 4.320 -0.133 0.000 0.217 384 A C 1.942 179.578 177.584 0.087 0.000 1.181 384 A CA 1.637 53.668 52.037 -0.010 0.000 0.623 384 A CB -1.022 17.848 19.000 -0.216 0.000 0.818 384 A HN 0.316 nan 8.150 nan 0.000 0.443 385 L N -0.885 120.349 121.223 0.019 0.000 2.072 385 L HA -0.055 4.205 4.340 -0.133 0.000 0.205 385 L C 2.864 179.886 176.870 0.255 0.000 1.079 385 L CA 0.918 55.802 54.840 0.074 0.000 0.752 385 L CB -0.963 41.061 42.059 -0.060 0.000 0.906 385 L HN 0.473 nan 8.230 nan 0.000 0.436 386 G N 0.219 109.242 108.800 0.372 0.000 2.476 386 G HA2 -0.365 3.515 3.960 -0.133 0.000 0.218 386 G HA3 -0.365 3.515 3.960 -0.133 0.000 0.218 386 G C 1.515 176.715 174.900 0.499 0.000 1.164 386 G CA 0.906 46.413 45.100 0.678 0.000 0.768 386 G HN 0.315 nan 8.290 nan 0.000 0.560 387 F N 1.412 121.589 119.950 0.378 0.000 2.091 387 F HA -0.127 4.320 4.527 -0.134 0.000 0.299 387 F C 2.473 178.373 175.800 0.167 0.000 1.103 387 F CA 1.585 59.699 58.000 0.191 0.000 1.228 387 F CB -0.261 38.815 39.000 0.127 0.000 0.984 387 F HN 0.083 nan 8.300 nan 0.000 0.477 388 L N -1.088 120.358 121.223 0.372 0.000 2.017 388 L HA -0.214 4.046 4.340 -0.133 0.000 0.208 388 L C 2.442 179.462 176.870 0.250 0.000 1.073 388 L CA 1.545 56.566 54.840 0.301 0.000 0.745 388 L CB -1.034 41.206 42.059 0.303 0.000 0.894 388 L HN 0.268 nan 8.230 nan 0.000 0.432 389 F N 0.803 120.834 119.950 0.135 0.000 2.113 389 F HA -0.154 4.294 4.527 -0.133 0.000 0.297 389 F C 2.117 177.957 175.800 0.067 0.000 1.103 389 F CA 1.491 59.565 58.000 0.123 0.000 1.248 389 F CB -0.341 38.775 39.000 0.192 0.000 0.999 389 F HN -0.147 nan 8.300 nan 0.000 0.475 390 L N -1.317 119.767 121.223 -0.232 0.000 2.095 390 L HA -0.129 4.131 4.340 -0.133 0.000 0.204 390 L C 2.445 179.145 176.870 -0.283 0.000 1.080 390 L CA 1.136 55.745 54.840 -0.385 0.000 0.759 390 L CB -0.948 40.874 42.059 -0.395 0.000 0.914 390 L HN 0.173 nan 8.230 nan 0.000 0.439 391 F N 1.071 120.726 119.950 -0.491 0.000 2.171 391 F HA -0.231 4.216 4.527 -0.134 0.000 0.300 391 F C 2.439 178.084 175.800 -0.259 0.000 1.090 391 F CA 1.843 59.549 58.000 -0.490 0.000 1.293 391 F CB -0.332 38.090 39.000 -0.964 0.000 1.013 391 F HN -0.065 nan 8.300 nan 0.000 0.486 392 T N -0.080 114.386 114.554 -0.147 0.000 2.720 392 T HA -0.179 4.091 4.350 -0.133 0.000 0.268 392 T C 2.180 176.724 174.700 -0.260 0.000 1.037 392 T CA 1.642 63.655 62.100 -0.145 0.000 1.144 392 T CB -0.628 68.246 68.868 0.010 0.000 0.864 392 T HN 0.123 nan 8.240 nan 0.000 0.444 393 V N 1.234 120.943 119.914 -0.341 0.000 2.343 393 V HA -0.116 3.924 4.120 -0.133 0.000 0.247 393 V C 2.831 178.674 176.094 -0.419 0.000 1.051 393 V CA 2.056 64.102 62.300 -0.423 0.000 1.036 393 V CB -1.246 30.189 31.823 -0.645 0.000 0.654 393 V HN 0.603 nan 8.190 nan 0.000 0.451 394 G N -0.353 108.216 108.800 -0.386 0.000 2.408 394 G HA2 -0.107 3.773 3.960 -0.133 0.000 0.217 394 G HA3 -0.107 3.773 3.960 -0.133 0.000 0.217 394 G C 1.589 176.339 174.900 -0.249 0.000 1.150 394 G CA 0.857 45.773 45.100 -0.307 0.000 0.776 394 G HN 0.587 nan 8.290 nan 0.000 0.542 395 G N 0.127 108.653 108.800 -0.456 0.000 2.403 395 G HA2 -0.072 3.808 3.960 -0.133 0.000 0.216 395 G HA3 -0.072 3.808 3.960 -0.133 0.000 0.216 395 G C 1.681 176.476 174.900 -0.175 0.000 1.154 395 G CA 0.940 45.824 45.100 -0.360 0.000 0.784 395 G HN 0.290 nan 8.290 nan 0.000 0.538 396 V N 0.620 120.427 119.914 -0.178 0.000 2.548 396 V HA -0.109 3.931 4.120 -0.133 0.000 0.249 396 V C 3.096 179.120 176.094 -0.118 0.000 1.055 396 V CA 2.237 64.463 62.300 -0.124 0.000 1.065 396 V CB -0.282 31.470 31.823 -0.118 0.000 0.681 396 V HN 0.360 nan 8.190 nan 0.000 0.462 397 T N -0.241 114.226 114.554 -0.145 0.000 2.904 397 T HA -0.059 4.211 4.350 -0.133 0.000 0.267 397 T C 1.800 176.375 174.700 -0.208 0.000 1.059 397 T CA 1.252 63.277 62.100 -0.126 0.000 1.137 397 T CB -0.345 68.394 68.868 -0.214 0.000 0.879 397 T HN 0.618 nan 8.240 nan 0.000 0.467 398 G N 1.521 110.109 108.800 -0.352 0.000 2.432 398 G HA2 -0.134 3.746 3.960 -0.133 0.000 0.219 398 G HA3 -0.134 3.746 3.960 -0.133 0.000 0.219 398 G C 1.429 176.141 174.900 -0.314 0.000 1.135 398 G CA 0.338 45.045 45.100 -0.655 0.000 0.767 398 G HN 0.389 nan 8.290 nan 0.000 0.550 399 I N 0.915 121.384 120.570 -0.168 0.000 2.286 399 I HA -0.083 4.007 4.170 -0.133 0.000 0.245 399 I C 2.962 179.036 176.117 -0.072 0.000 1.104 399 I CA 0.567 61.806 61.300 -0.102 0.000 1.397 399 I CB -1.039 36.923 38.000 -0.062 0.000 1.072 399 I HN 0.027 nan 8.210 nan 0.000 0.417 400 V N 1.343 121.231 119.914 -0.044 0.000 2.282 400 V HA -0.290 3.750 4.120 -0.133 0.000 0.249 400 V C 2.562 178.670 176.094 0.023 0.000 1.057 400 V CA 1.765 64.073 62.300 0.015 0.000 1.032 400 V CB -0.666 31.213 31.823 0.094 0.000 0.645 400 V HN 0.347 nan 8.190 nan 0.000 0.447 401 L N 0.732 121.944 121.223 -0.018 0.000 2.291 401 L HA -0.094 4.166 4.340 -0.133 0.000 0.214 401 L C 2.628 179.516 176.870 0.029 0.000 1.120 401 L CA 1.378 56.221 54.840 0.005 0.000 0.799 401 L CB -0.623 41.370 42.059 -0.110 0.000 0.925 401 L HN 0.555 nan 8.230 nan 0.000 0.446 402 S N -1.317 114.357 115.700 -0.043 0.000 2.423 402 S HA -0.123 4.267 4.470 -0.133 0.000 0.231 402 S C 1.124 175.770 174.600 0.078 0.000 1.014 402 S CA 0.389 58.617 58.200 0.046 0.000 0.965 402 S CB -0.286 62.886 63.200 -0.047 0.000 0.785 402 S HN 0.327 nan 8.310 nan 0.000 0.495 403 Q N 1.600 121.387 119.800 -0.022 0.000 2.409 403 Q HA 0.442 4.702 4.340 -0.133 0.000 0.240 403 Q C 1.355 177.226 176.000 -0.215 0.000 1.226 403 Q CA 0.444 56.179 55.803 -0.112 0.000 0.895 403 Q CB 0.179 28.869 28.738 -0.080 0.000 1.491 403 Q HN 0.528 nan 8.270 nan 0.000 0.509 404 A N 2.885 125.381 122.820 -0.539 0.000 2.009 404 A HA -0.302 3.938 4.320 -0.133 0.000 0.222 404 A C 2.195 179.567 177.584 -0.353 0.000 1.175 404 A CA 2.399 53.925 52.037 -0.852 0.000 0.651 404 A CB -0.366 17.916 19.000 -1.196 0.000 0.815 404 A HN 0.707 nan 8.150 nan 0.000 0.459 405 S N -1.091 114.462 115.700 -0.244 0.000 2.428 405 S HA -0.040 4.350 4.470 -0.133 0.000 0.230 405 S C 1.607 176.129 174.600 -0.129 0.000 1.014 405 S CA 1.355 59.461 58.200 -0.156 0.000 0.957 405 S CB -0.447 62.675 63.200 -0.130 0.000 0.784 405 S HN 0.298 nan 8.310 nan 0.000 0.499 406 V N 1.752 121.587 119.914 -0.132 0.000 2.825 406 V HA 0.038 4.078 4.120 -0.133 0.000 0.246 406 V C 2.328 178.352 176.094 -0.116 0.000 1.068 406 V CA 1.446 63.645 62.300 -0.167 0.000 1.088 406 V CB -0.717 31.015 31.823 -0.152 0.000 0.733 406 V HN 0.476 nan 8.190 nan 0.000 0.468 407 D N 0.363 120.766 120.400 0.004 0.000 2.263 407 D HA -0.208 4.352 4.640 -0.133 0.000 0.208 407 D C 2.171 178.553 176.300 0.136 0.000 0.971 407 D CA 0.837 54.924 54.000 0.146 0.000 0.867 407 D CB 0.006 40.962 40.800 0.259 0.000 0.929 407 D HN 0.154 nan 8.370 nan 0.000 0.492 408 R N -0.975 119.548 120.500 0.039 0.000 2.113 408 R HA -0.220 4.040 4.340 -0.133 0.000 0.244 408 R C 1.959 178.294 176.300 0.058 0.000 1.142 408 R CA 1.589 57.714 56.100 0.042 0.000 0.953 408 R CB -0.844 29.455 30.300 -0.002 0.000 0.860 408 R HN 0.373 nan 8.270 nan 0.000 0.438 409 Y N -1.407 118.813 120.300 -0.133 0.000 2.243 409 Y HA -0.123 4.346 4.550 -0.133 0.000 0.293 409 Y C 1.339 177.191 175.900 -0.080 0.000 1.124 409 Y CA 1.418 59.409 58.100 -0.181 0.000 1.159 409 Y CB -0.044 38.176 38.460 -0.399 0.000 1.008 409 Y HN 0.085 nan 8.280 nan 0.000 0.527 410 Y N -0.964 119.440 120.300 0.173 0.000 2.475 410 Y HA 0.019 4.489 4.550 -0.133 0.000 0.289 410 Y C 0.855 176.806 175.900 0.086 0.000 1.121 410 Y CA 0.476 58.637 58.100 0.103 0.000 1.257 410 Y CB -1.248 37.195 38.460 -0.029 0.000 1.026 410 Y HN 0.096 nan 8.280 nan 0.000 0.555 411 H N 1.597 120.774 119.070 0.179 0.000 3.034 411 H HA -0.007 4.469 4.556 -0.134 0.000 0.324 411 H C 0.600 175.979 175.328 0.085 0.000 1.015 411 H CA 0.552 56.675 56.048 0.125 0.000 1.429 411 H CB 0.007 29.832 29.762 0.106 0.000 1.429 411 H HN 0.217 nan 8.280 nan 0.000 0.585 412 D N 2.609 122.588 120.400 -0.701 0.000 2.772 412 D HA -0.201 4.359 4.640 -0.133 0.000 0.233 412 D C -0.371 175.812 176.300 -0.194 0.000 1.143 412 D CA 1.399 55.134 54.000 -0.443 0.000 0.700 412 D CB -0.802 39.759 40.800 -0.399 0.000 1.076 412 D HN 0.762 nan 8.370 nan 0.000 0.430 413 T N -4.194 110.301 114.554 -0.098 0.000 2.910 413 T HA 0.419 4.689 4.350 -0.133 0.000 0.287 413 T C 1.058 175.729 174.700 -0.049 0.000 1.050 413 T CA -0.739 61.343 62.100 -0.031 0.000 1.011 413 T CB 0.895 69.822 68.868 0.098 0.000 1.195 413 T HN -0.069 nan 8.240 nan 0.000 0.540 414 Y N -0.661 119.589 120.300 -0.083 0.000 2.574 414 Y HA 0.035 4.505 4.550 -0.133 0.000 0.294 414 Y C 2.026 177.831 175.900 -0.158 0.000 1.142 414 Y CA 0.769 58.794 58.100 -0.124 0.000 1.314 414 Y CB -0.526 37.831 38.460 -0.171 0.000 0.991 414 Y HN 0.814 nan 8.280 nan 0.000 0.555 415 Y N -0.838 119.396 120.300 -0.110 0.000 2.224 415 Y HA -0.240 4.230 4.550 -0.133 0.000 0.289 415 Y C 2.193 177.918 175.900 -0.292 0.000 1.146 415 Y CA 1.446 59.374 58.100 -0.287 0.000 1.182 415 Y CB -0.327 37.829 38.460 -0.507 0.000 0.983 415 Y HN -0.098 nan 8.280 nan 0.000 0.524 416 V N -1.133 118.775 119.914 -0.009 0.000 2.358 416 V HA -0.297 3.743 4.120 -0.133 0.000 0.246 416 V C 2.287 178.221 176.094 -0.266 0.000 1.047 416 V CA 1.668 63.975 62.300 0.011 0.000 1.035 416 V CB -0.841 31.055 31.823 0.121 0.000 0.658 416 V HN 0.308 nan 8.190 nan 0.000 0.452 417 V N 0.622 120.239 119.914 -0.495 0.000 2.324 417 V HA -0.308 3.732 4.120 -0.133 0.000 0.250 417 V C 2.712 178.281 176.094 -0.875 0.000 1.060 417 V CA 2.180 63.862 62.300 -1.029 0.000 1.042 417 V CB -1.337 30.073 31.823 -0.688 0.000 0.650 417 V HN 0.562 nan 8.190 nan 0.000 0.450 418 A N -0.214 122.241 122.820 -0.609 0.000 1.877 418 A HA -0.282 3.958 4.320 -0.133 0.000 0.216 418 A C 2.122 179.376 177.584 -0.550 0.000 1.186 418 A CA 2.213 53.851 52.037 -0.665 0.000 0.620 418 A CB -0.884 17.326 19.000 -1.317 0.000 0.822 418 A HN 0.760 nan 8.150 nan 0.000 0.443 419 H N 0.469 119.183 119.070 -0.593 0.000 2.252 419 H HA -0.265 4.211 4.556 -0.133 0.000 0.292 419 H C 1.670 176.822 175.328 -0.292 0.000 1.082 419 H CA 2.822 58.643 56.048 -0.378 0.000 1.229 419 H CB -0.867 28.742 29.762 -0.255 0.000 1.353 419 H HN 0.609 nan 8.280 nan 0.000 0.488 420 F N -1.046 118.538 119.950 -0.611 0.000 2.325 420 F HA 0.053 4.500 4.527 -0.133 0.000 0.299 420 F C 2.032 177.389 175.800 -0.738 0.000 1.090 420 F CA 1.238 58.781 58.000 -0.762 0.000 1.392 420 F CB -1.090 37.603 39.000 -0.512 0.000 1.053 420 F HN 0.222 nan 8.300 nan 0.000 0.521 421 H N -1.698 116.904 119.070 -0.780 0.000 2.436 421 H HA -0.014 4.462 4.556 -0.134 0.000 0.294 421 H C 1.605 176.439 175.328 -0.824 0.000 1.048 421 H CA 1.949 57.415 56.048 -0.969 0.000 1.353 421 H CB -0.440 28.110 29.762 -2.021 0.000 1.414 421 H HN 0.257 nan 8.280 nan 0.000 0.536 422 Y N 0.237 120.185 120.300 -0.588 0.000 2.145 422 Y HA -0.235 4.236 4.550 -0.133 0.000 0.286 422 Y C 2.586 178.232 175.900 -0.424 0.000 1.145 422 Y CA 1.499 59.323 58.100 -0.459 0.000 1.148 422 Y CB -0.300 37.919 38.460 -0.401 0.000 0.981 422 Y HN 0.147 nan 8.280 nan 0.000 0.507 423 V N -2.901 116.812 119.914 -0.334 0.000 2.548 423 V HA -0.222 3.818 4.120 -0.133 0.000 0.249 423 V C 1.809 177.821 176.094 -0.136 0.000 1.055 423 V CA 1.685 63.835 62.300 -0.250 0.000 1.065 423 V CB -0.556 31.053 31.823 -0.356 0.000 0.681 423 V HN 0.356 nan 8.190 nan 0.000 0.462 424 M N 0.377 119.829 119.600 -0.247 0.000 2.384 424 M HA 0.048 4.448 4.480 -0.133 0.000 0.258 424 M C 2.518 178.730 176.300 -0.147 0.000 1.130 424 M CA 1.684 56.862 55.300 -0.203 0.000 1.187 424 M CB -0.266 32.163 32.600 -0.285 0.000 1.307 424 M HN 0.373 nan 8.290 nan 0.000 0.468 425 S N 0.344 115.925 115.700 -0.198 0.000 2.461 425 S HA 0.114 4.504 4.470 -0.133 0.000 0.228 425 S C 1.429 176.031 174.600 0.003 0.000 1.005 425 S CA 0.618 58.777 58.200 -0.068 0.000 0.942 425 S CB 0.090 63.269 63.200 -0.036 0.000 0.776 425 S HN 0.311 nan 8.310 nan 0.000 0.514 426 L N 0.281 121.364 121.223 -0.233 0.000 2.728 426 L HA 0.385 4.644 4.340 -0.133 0.000 0.238 426 L C 1.495 178.075 176.870 -0.484 0.000 1.143 426 L CA 0.498 55.042 54.840 -0.495 0.000 0.937 426 L CB -0.343 41.276 42.059 -0.733 0.000 1.225 426 L HN 0.388 nan 8.230 nan 0.000 0.507 427 G N -0.256 108.482 108.800 -0.103 0.000 2.446 427 G HA2 0.229 4.109 3.960 -0.133 0.000 0.202 427 G HA3 0.229 4.109 3.960 -0.133 0.000 0.202 427 G C 1.404 176.531 174.900 0.380 0.000 1.842 427 G CA 0.705 45.844 45.100 0.066 0.000 0.703 427 G HN 0.097 nan 8.290 nan 0.000 0.731 428 A N 0.105 123.062 122.820 0.229 0.000 1.917 428 A HA -0.004 4.236 4.320 -0.133 0.000 0.219 428 A C 2.519 180.160 177.584 0.094 0.000 1.182 428 A CA 2.339 54.462 52.037 0.144 0.000 0.633 428 A CB -0.878 18.120 19.000 -0.004 0.000 0.819 428 A HN 0.431 nan 8.150 nan 0.000 0.448 429 V N -1.459 118.495 119.914 0.067 0.000 2.427 429 V HA -0.200 3.840 4.120 -0.133 0.000 0.248 429 V C 2.263 178.339 176.094 -0.031 0.000 1.051 429 V CA 1.805 64.058 62.300 -0.078 0.000 1.048 429 V CB -0.881 30.903 31.823 -0.065 0.000 0.666 429 V HN 0.547 nan 8.190 nan 0.000 0.456 430 F N 1.380 121.371 119.950 0.069 0.000 2.186 430 F HA -0.013 4.434 4.527 -0.134 0.000 0.299 430 F C 2.355 178.217 175.800 0.104 0.000 1.090 430 F CA 1.215 59.369 58.000 0.256 0.000 1.307 430 F CB -1.318 38.010 39.000 0.548 0.000 1.019 430 F HN 0.199 nan 8.300 nan 0.000 0.489 431 G N 0.206 109.153 108.800 0.246 0.000 2.418 431 G HA2 -0.226 3.654 3.960 -0.133 0.000 0.217 431 G HA3 -0.226 3.654 3.960 -0.133 0.000 0.217 431 G C 1.873 176.736 174.900 -0.062 0.000 1.158 431 G CA 0.996 46.088 45.100 -0.013 0.000 0.771 431 G HN 0.353 nan 8.290 nan 0.000 0.545 432 I N -0.146 120.377 120.570 -0.077 0.000 2.163 432 I HA -0.163 3.927 4.170 -0.133 0.000 0.243 432 I C 2.461 178.497 176.117 -0.135 0.000 1.085 432 I CA 0.988 62.252 61.300 -0.060 0.000 1.347 432 I CB -0.286 37.572 38.000 -0.236 0.000 1.044 432 I HN 0.043 nan 8.210 nan 0.000 0.408 433 F N 1.001 120.723 119.950 -0.380 0.000 2.186 433 F HA -0.135 4.312 4.527 -0.133 0.000 0.299 433 F C 2.629 178.123 175.800 -0.511 0.000 1.090 433 F CA 0.953 58.502 58.000 -0.751 0.000 1.307 433 F CB -1.295 36.539 39.000 -1.942 0.000 1.019 433 F HN 0.002 nan 8.300 nan 0.000 0.489 434 A N 0.399 123.097 122.820 -0.204 0.000 1.892 434 A HA -0.134 4.106 4.320 -0.133 0.000 0.218 434 A C 2.635 180.160 177.584 -0.099 0.000 1.188 434 A CA 2.047 54.059 52.037 -0.042 0.000 0.631 434 A CB -1.586 17.355 19.000 -0.099 0.000 0.822 434 A HN 0.403 nan 8.150 nan 0.000 0.447 435 G N -0.145 108.516 108.800 -0.232 0.000 2.418 435 G HA2 -0.147 3.732 3.960 -0.133 0.000 0.217 435 G HA3 -0.147 3.732 3.960 -0.133 0.000 0.217 435 G C 1.434 176.323 174.900 -0.018 0.000 1.158 435 G CA 1.075 45.885 45.100 -0.483 0.000 0.771 435 G HN 0.370 nan 8.290 nan 0.000 0.545 436 I N -0.003 120.732 120.570 0.276 0.000 2.127 436 I HA -0.149 3.941 4.170 -0.133 0.000 0.241 436 I C 2.549 178.794 176.117 0.214 0.000 1.075 436 I CA 1.199 62.715 61.300 0.359 0.000 1.334 436 I CB -1.249 36.894 38.000 0.237 0.000 1.040 436 I HN 0.170 nan 8.210 nan 0.000 0.405 437 Y N -0.213 120.212 120.300 0.209 0.000 2.242 437 Y HA -0.246 4.224 4.550 -0.132 0.000 0.291 437 Y C 2.482 178.705 175.900 0.539 0.000 1.137 437 Y CA 1.356 59.536 58.100 0.133 0.000 1.181 437 Y CB -0.800 37.580 38.460 -0.133 0.000 0.989 437 Y HN 0.016 nan 8.280 nan 0.000 0.527 438 F N -1.105 119.064 119.950 0.366 0.000 2.126 438 F HA -0.261 4.186 4.527 -0.134 0.000 0.299 438 F C 1.443 177.659 175.800 0.692 0.000 1.096 438 F CA 1.594 59.805 58.000 0.352 0.000 1.255 438 F CB -0.295 38.467 39.000 -0.397 0.000 0.997 438 F HN 0.074 nan 8.300 nan 0.000 0.479 439 W N -0.927 120.662 121.300 0.482 0.000 2.998 439 W HA 0.238 4.819 4.660 -0.132 0.000 0.336 439 W C 2.037 178.746 176.519 0.318 0.000 1.112 439 W CA -0.370 57.146 57.345 0.285 0.000 1.682 439 W CB -0.737 28.713 29.460 -0.017 0.000 1.065 439 W HN 0.011 nan 8.180 nan 0.000 0.570 440 I N 0.650 121.526 120.570 0.511 0.000 2.194 440 I HA -0.227 3.863 4.170 -0.133 0.000 0.246 440 I C 2.341 178.586 176.117 0.213 0.000 1.093 440 I CA 2.216 63.693 61.300 0.294 0.000 1.355 440 I CB -0.545 37.574 38.000 0.199 0.000 1.046 440 I HN -0.073 nan 8.210 nan 0.000 0.413 441 G N 0.520 109.440 108.800 0.199 0.000 2.446 441 G HA2 -0.370 3.510 3.960 -0.133 0.000 0.217 441 G HA3 -0.370 3.510 3.960 -0.133 0.000 0.217 441 G C 1.629 176.641 174.900 0.187 0.000 1.168 441 G CA 1.175 46.220 45.100 -0.092 0.000 0.771 441 G HN 0.293 nan 8.290 nan 0.000 0.551 442 K N 0.333 121.045 120.400 0.519 0.000 2.103 442 K HA 0.046 4.286 4.320 -0.133 0.000 0.207 442 K C 2.465 179.171 176.600 0.177 0.000 1.048 442 K CA 1.390 57.906 56.287 0.382 0.000 0.930 442 K CB -0.364 32.298 32.500 0.270 0.000 0.716 442 K HN 0.390 nan 8.250 nan 0.000 0.444 443 M N -0.531 119.135 119.600 0.110 0.000 2.334 443 M HA -0.012 4.388 4.480 -0.133 0.000 0.266 443 M C 1.866 178.195 176.300 0.050 0.000 1.082 443 M CA 1.431 56.715 55.300 -0.026 0.000 1.141 443 M CB 0.123 32.585 32.600 -0.230 0.000 1.380 443 M HN 0.293 nan 8.290 nan 0.000 0.440 444 S N -1.359 114.371 115.700 0.050 0.000 2.524 444 S HA 0.317 4.707 4.470 -0.133 0.000 0.222 444 S C 1.558 176.166 174.600 0.013 0.000 1.040 444 S CA 0.476 58.695 58.200 0.031 0.000 0.915 444 S CB 0.500 63.705 63.200 0.007 0.000 0.831 444 S HN 0.574 nan 8.310 nan 0.000 0.492 445 G N 1.496 110.303 108.800 0.012 0.000 2.162 445 G HA2 -0.239 3.641 3.960 -0.133 0.000 0.260 445 G HA3 -0.239 3.641 3.960 -0.133 0.000 0.260 445 G C 0.023 174.884 174.900 -0.066 0.000 0.976 445 G CA 0.191 45.282 45.100 -0.016 0.000 0.655 445 G HN 0.624 nan 8.290 nan 0.000 0.533 446 R N -0.611 119.841 120.500 -0.079 0.000 2.686 446 R HA 0.590 4.850 4.340 -0.133 0.000 0.286 446 R C -0.653 175.570 176.300 -0.129 0.000 0.969 446 R CA -0.945 55.089 56.100 -0.111 0.000 0.898 446 R CB 1.491 31.727 30.300 -0.106 0.000 1.183 446 R HN 0.149 nan 8.270 nan 0.000 0.456 447 Q N 1.936 121.634 119.800 -0.170 0.000 2.230 447 Q HA 0.192 4.452 4.340 -0.133 0.000 0.253 447 Q C -1.280 174.675 176.000 -0.075 0.000 0.919 447 Q CA -0.578 55.094 55.803 -0.219 0.000 0.908 447 Q CB 0.847 29.369 28.738 -0.360 0.000 1.245 447 Q HN 0.468 nan 8.270 nan 0.000 0.437 448 Y N 2.086 122.416 120.300 0.049 0.000 2.336 448 Y HA 0.617 5.087 4.550 -0.134 0.000 0.331 448 Y C -2.162 173.804 175.900 0.111 0.000 1.211 448 Y CA -2.658 55.516 58.100 0.122 0.000 1.346 448 Y CB -0.133 38.470 38.460 0.238 0.000 1.271 448 Y HN 0.469 nan 8.280 nan 0.000 0.538 449 P HA 0.066 nan 4.420 nan 0.000 0.276 449 P C -0.104 177.187 177.300 -0.015 0.000 1.243 449 P CA -0.081 62.998 63.100 -0.036 0.000 0.768 449 P CB 1.785 33.371 31.700 -0.190 0.000 0.856 450 E N 4.705 124.921 120.200 0.027 0.000 2.077 450 E HA -0.161 4.109 4.350 -0.133 0.000 0.193 450 E C 1.619 178.330 176.600 0.186 0.000 0.989 450 E CA 1.509 58.018 56.400 0.182 0.000 0.800 450 E CB -0.634 29.154 29.700 0.147 0.000 0.746 450 E HN 0.631 nan 8.360 nan 0.000 0.452 451 W N 0.176 121.576 121.300 0.167 0.000 2.342 451 W HA -0.076 4.504 4.660 -0.132 0.000 0.297 451 W C 1.717 178.370 176.519 0.224 0.000 1.213 451 W CA 1.148 58.586 57.345 0.155 0.000 1.251 451 W CB -0.957 28.569 29.460 0.111 0.000 1.136 451 W HN 0.159 nan 8.180 nan 0.000 0.526 452 A N 2.091 124.400 122.820 -0.853 0.000 1.929 452 A HA 0.081 4.321 4.320 -0.133 0.000 0.216 452 A C 2.406 180.029 177.584 0.065 0.000 1.176 452 A CA 2.079 53.739 52.037 -0.628 0.000 0.628 452 A CB -1.509 16.862 19.000 -1.048 0.000 0.816 452 A HN 0.377 nan 8.150 nan 0.000 0.444 453 G N 0.060 108.899 108.800 0.065 0.000 2.446 453 G HA2 -0.260 3.620 3.960 -0.133 0.000 0.217 453 G HA3 -0.260 3.620 3.960 -0.133 0.000 0.217 453 G C 1.680 176.505 174.900 -0.125 0.000 1.168 453 G CA 1.182 46.228 45.100 -0.091 0.000 0.771 453 G HN 0.572 nan 8.290 nan 0.000 0.551 454 K N -0.486 119.901 120.400 -0.021 0.000 2.097 454 K HA 0.036 4.276 4.320 -0.133 0.000 0.205 454 K C 2.357 179.070 176.600 0.188 0.000 1.050 454 K CA 0.834 57.124 56.287 0.005 0.000 0.938 454 K CB -0.275 32.307 32.500 0.138 0.000 0.718 454 K HN 0.259 nan 8.250 nan 0.000 0.442 455 L N 1.079 122.466 121.223 0.274 0.000 2.046 455 L HA -0.204 4.056 4.340 -0.133 0.000 0.208 455 L C 2.324 179.327 176.870 0.221 0.000 1.077 455 L CA 1.845 56.843 54.840 0.263 0.000 0.747 455 L CB -0.719 41.471 42.059 0.217 0.000 0.896 455 L HN 0.301 nan 8.230 nan 0.000 0.432 456 H N -1.615 117.594 119.070 0.233 0.000 2.290 456 H HA -0.291 4.185 4.556 -0.133 0.000 0.298 456 H C 2.189 177.554 175.328 0.062 0.000 1.087 456 H CA 2.059 58.276 56.048 0.281 0.000 1.291 456 H CB -0.307 29.735 29.762 0.467 0.000 1.369 456 H HN 0.440 nan 8.280 nan 0.000 0.492 457 F N 0.597 120.240 119.950 -0.512 0.000 2.065 457 F HA -0.275 4.172 4.527 -0.134 0.000 0.298 457 F C 1.950 177.339 175.800 -0.685 0.000 1.112 457 F CA 2.106 59.370 58.000 -1.226 0.000 1.212 457 F CB -0.807 37.159 39.000 -1.722 0.000 0.975 457 F HN 0.212 nan 8.300 nan 0.000 0.476 458 W N 0.186 121.316 121.300 -0.284 0.000 2.381 458 W HA -0.167 4.413 4.660 -0.133 0.000 0.301 458 W C 2.545 178.998 176.519 -0.109 0.000 1.205 458 W CA 1.160 58.373 57.345 -0.220 0.000 1.285 458 W CB -0.460 28.982 29.460 -0.031 0.000 1.133 458 W HN 0.026 nan 8.180 nan 0.000 0.521 459 M N -0.846 118.841 119.600 0.145 0.000 2.086 459 M HA -0.246 4.154 4.480 -0.133 0.000 0.261 459 M C 2.269 178.642 176.300 0.121 0.000 1.067 459 M CA 1.702 57.081 55.300 0.130 0.000 1.116 459 M CB -0.706 31.964 32.600 0.116 0.000 1.348 459 M HN 0.043 nan 8.290 nan 0.000 0.407 460 M N 0.182 119.833 119.600 0.085 0.000 2.117 460 M HA -0.179 4.221 4.480 -0.133 0.000 0.262 460 M C 1.919 178.276 176.300 0.096 0.000 1.065 460 M CA 1.827 57.202 55.300 0.125 0.000 1.114 460 M CB -0.576 32.115 32.600 0.151 0.000 1.361 460 M HN 0.191 nan 8.290 nan 0.000 0.408 461 F N -0.358 119.438 119.950 -0.258 0.000 2.095 461 F HA -0.214 4.232 4.527 -0.134 0.000 0.298 461 F C 1.870 177.688 175.800 0.029 0.000 1.104 461 F CA 2.065 59.961 58.000 -0.174 0.000 1.232 461 F CB -0.450 38.183 39.000 -0.612 0.000 0.987 461 F HN -0.005 nan 8.300 nan 0.000 0.475 462 V N 0.138 120.165 119.914 0.188 0.000 2.307 462 V HA -0.211 3.829 4.120 -0.133 0.000 0.245 462 V C 2.712 178.816 176.094 0.017 0.000 1.045 462 V CA 1.940 64.314 62.300 0.124 0.000 1.024 462 V CB -1.580 30.356 31.823 0.188 0.000 0.651 462 V HN 0.545 nan 8.190 nan 0.000 0.449 463 G N -0.388 108.437 108.800 0.041 0.000 2.421 463 G HA2 -0.207 3.673 3.960 -0.133 0.000 0.216 463 G HA3 -0.207 3.673 3.960 -0.133 0.000 0.216 463 G C 1.748 176.613 174.900 -0.059 0.000 1.171 463 G CA 1.065 46.172 45.100 0.011 0.000 0.775 463 G HN 0.606 nan 8.290 nan 0.000 0.543 464 A N 0.820 123.626 122.820 -0.022 0.000 1.969 464 A HA -0.026 4.214 4.320 -0.133 0.000 0.218 464 A C 2.260 179.767 177.584 -0.127 0.000 1.169 464 A CA 1.598 53.615 52.037 -0.033 0.000 0.635 464 A CB -0.377 18.700 19.000 0.128 0.000 0.810 464 A HN 0.350 nan 8.150 nan 0.000 0.445 465 N N 0.078 118.671 118.700 -0.179 0.000 2.142 465 N HA -0.077 4.583 4.740 -0.133 0.000 0.186 465 N C 1.690 177.188 175.510 -0.021 0.000 1.023 465 N CA 1.219 54.204 53.050 -0.108 0.000 0.852 465 N CB -0.324 38.042 38.487 -0.201 0.000 0.998 465 N HN 0.478 nan 8.380 nan 0.000 0.424 466 L N 0.794 121.977 121.223 -0.067 0.000 2.131 466 L HA -0.130 4.130 4.340 -0.133 0.000 0.210 466 L C 2.198 178.977 176.870 -0.153 0.000 1.092 466 L CA 0.971 55.782 54.840 -0.049 0.000 0.759 466 L CB -0.457 41.578 42.059 -0.039 0.000 0.903 466 L HN 0.156 nan 8.230 nan 0.000 0.435 467 T N -0.746 113.609 114.554 -0.333 0.000 2.701 467 T HA -0.115 4.155 4.350 -0.133 0.000 0.263 467 T C 1.380 175.669 174.700 -0.684 0.000 1.040 467 T CA 1.496 63.194 62.100 -0.670 0.000 1.147 467 T CB -0.166 68.010 68.868 -1.153 0.000 0.865 467 T HN 0.131 nan 8.240 nan 0.000 0.426 468 F N -0.726 119.112 119.950 -0.186 0.000 2.622 468 F HA 0.392 4.838 4.527 -0.134 0.000 0.288 468 F C 1.705 177.429 175.800 -0.125 0.000 1.120 468 F CA -1.137 56.734 58.000 -0.215 0.000 1.423 468 F CB -0.627 38.168 39.000 -0.342 0.000 1.127 468 F HN 0.041 nan 8.300 nan 0.000 0.588 469 F N 2.341 122.346 119.950 0.092 0.000 2.126 469 F HA -0.087 4.360 4.527 -0.134 0.000 0.299 469 F C -0.759 174.761 175.800 -0.465 0.000 1.096 469 F CA 1.455 59.441 58.000 -0.023 0.000 1.255 469 F CB -1.445 37.521 39.000 -0.056 0.000 0.997 469 F HN -0.122 nan 8.300 nan 0.000 0.479 470 P HA -0.174 nan 4.420 nan 0.000 0.222 470 P C 1.013 178.031 177.300 -0.470 0.000 1.147 470 P CA 1.496 64.240 63.100 -0.593 0.000 0.790 470 P CB -0.172 31.511 31.700 -0.029 0.000 0.780 471 Q N -1.719 117.854 119.800 -0.378 0.000 2.291 471 Q HA -0.180 4.080 4.340 -0.133 0.000 0.205 471 Q C 1.753 177.539 176.000 -0.356 0.000 0.970 471 Q CA 1.082 56.722 55.803 -0.273 0.000 0.876 471 Q CB -0.663 28.019 28.738 -0.095 0.000 0.935 471 Q HN 0.522 nan 8.270 nan 0.000 0.455 472 H N -0.538 118.180 119.070 -0.588 0.000 2.352 472 H HA -0.153 4.323 4.556 -0.133 0.000 0.299 472 H C 1.500 176.725 175.328 -0.172 0.000 1.097 472 H CA 1.654 57.354 56.048 -0.580 0.000 1.311 472 H CB -0.027 29.126 29.762 -1.015 0.000 1.377 472 H HN 0.197 nan 8.280 nan 0.000 0.504 473 F N 0.384 120.260 119.950 -0.124 0.000 2.102 473 F HA -0.129 4.318 4.527 -0.133 0.000 0.298 473 F C 2.277 178.129 175.800 0.088 0.000 1.105 473 F CA 0.824 58.770 58.000 -0.090 0.000 1.239 473 F CB -1.109 37.620 39.000 -0.450 0.000 0.991 473 F HN 0.085 nan 8.300 nan 0.000 0.474 474 L N -0.231 121.126 121.223 0.224 0.000 2.042 474 L HA -0.175 4.085 4.340 -0.133 0.000 0.210 474 L C 2.758 179.727 176.870 0.166 0.000 1.076 474 L CA 1.561 56.493 54.840 0.154 0.000 0.749 474 L CB -1.454 40.524 42.059 -0.135 0.000 0.893 474 L HN 0.286 nan 8.230 nan 0.000 0.432 475 G N -0.426 108.500 108.800 0.209 0.000 2.402 475 G HA2 -0.215 3.665 3.960 -0.133 0.000 0.216 475 G HA3 -0.215 3.665 3.960 -0.133 0.000 0.216 475 G C 1.731 176.921 174.900 0.483 0.000 1.162 475 G CA 0.352 45.637 45.100 0.308 0.000 0.777 475 G HN 0.270 nan 8.290 nan 0.000 0.539 476 R N -0.293 120.510 120.500 0.505 0.000 2.120 476 R HA 0.004 4.264 4.340 -0.133 0.000 0.234 476 R C 2.473 179.069 176.300 0.493 0.000 1.123 476 R CA 1.029 57.440 56.100 0.518 0.000 0.975 476 R CB -0.078 30.449 30.300 0.378 0.000 0.866 476 R HN 0.265 nan 8.270 nan 0.000 0.446 477 Q N -0.718 119.358 119.800 0.460 0.000 2.451 477 Q HA 0.062 4.322 4.340 -0.133 0.000 0.206 477 Q C 0.732 177.063 176.000 0.552 0.000 0.947 477 Q CA 0.914 57.007 55.803 0.482 0.000 0.937 477 Q CB 1.284 30.344 28.738 0.536 0.000 1.025 477 Q HN 0.595 nan 8.270 nan 0.000 0.511 478 G N 1.360 110.411 108.800 0.417 0.000 2.134 478 G HA2 -0.245 3.635 3.960 -0.133 0.000 0.209 478 G HA3 -0.245 3.635 3.960 -0.133 0.000 0.209 478 G C 0.037 174.967 174.900 0.051 0.000 0.993 478 G CA 0.182 45.400 45.100 0.196 0.000 0.669 478 G HN 0.316 nan 8.290 nan 0.000 0.519 479 M N 1.746 121.207 119.600 -0.232 0.000 2.251 479 M HA 0.368 4.768 4.480 -0.133 0.000 0.346 479 M C -2.035 174.085 176.300 -0.300 0.000 1.499 479 M CA -1.495 53.382 55.300 -0.705 0.000 1.128 479 M CB 0.630 32.526 32.600 -1.174 0.000 1.809 479 M HN 0.005 nan 8.290 nan 0.000 0.464 480 P HA 0.173 nan 4.420 nan 0.000 0.274 480 P C -1.049 176.060 177.300 -0.318 0.000 1.231 480 P CA -0.139 62.675 63.100 -0.475 0.000 0.790 480 P CB 0.495 31.649 31.700 -0.910 0.000 0.951 481 R N 1.571 121.943 120.500 -0.213 0.000 2.738 481 R HA 0.213 4.473 4.340 -0.133 0.000 0.268 481 R C 0.519 176.885 176.300 0.111 0.000 1.062 481 R CA -0.111 55.918 56.100 -0.118 0.000 1.158 481 R CB -0.047 30.184 30.300 -0.115 0.000 1.046 481 R HN 0.451 nan 8.270 nan 0.000 0.493 482 R N -0.238 120.450 120.500 0.314 0.000 3.656 482 R HA -0.194 4.066 4.340 -0.133 0.000 0.297 482 R C -1.243 175.431 176.300 0.624 0.000 1.166 482 R CA 0.638 57.053 56.100 0.524 0.000 0.799 482 R CB -1.691 28.815 30.300 0.342 0.000 1.285 482 R HN 0.402 nan 8.270 nan 0.000 0.477 483 Y N -0.153 120.234 120.300 0.145 0.000 2.331 483 Y HA 0.285 4.755 4.550 -0.134 0.000 0.338 483 Y C 1.471 176.869 175.900 -0.836 0.000 0.992 483 Y CA -1.682 56.315 58.100 -0.171 0.000 1.121 483 Y CB 1.004 39.432 38.460 -0.053 0.000 1.184 483 Y HN 0.070 nan 8.280 nan 0.000 0.469 484 I N 1.078 121.113 120.570 -0.892 0.000 2.493 484 I HA -0.139 3.951 4.170 -0.133 0.000 0.254 484 I C -0.036 175.713 176.117 -0.613 0.000 1.160 484 I CA 1.561 62.196 61.300 -1.110 0.000 1.445 484 I CB 0.306 38.049 38.000 -0.428 0.000 1.086 484 I HN 0.567 nan 8.210 nan 0.000 0.433 485 D N -1.520 118.677 120.400 -0.339 0.000 2.570 485 D HA 0.368 4.928 4.640 -0.133 0.000 0.244 485 D C -1.587 174.703 176.300 -0.017 0.000 1.178 485 D CA -0.337 53.503 54.000 -0.265 0.000 0.881 485 D CB 1.595 42.241 40.800 -0.256 0.000 1.453 485 D HN 0.095 nan 8.370 nan 0.000 0.447 486 Y N -1.865 118.464 120.300 0.048 0.000 2.571 486 Y HA 0.696 5.165 4.550 -0.134 0.000 0.341 486 Y C -2.765 173.270 175.900 0.224 0.000 1.076 486 Y CA -2.431 55.783 58.100 0.190 0.000 1.029 486 Y CB 0.333 38.882 38.460 0.148 0.000 1.308 486 Y HN 0.077 nan 8.280 nan 0.000 0.461 487 P HA -0.011 nan 4.420 nan 0.000 0.265 487 P C 0.557 178.025 177.300 0.281 0.000 1.187 487 P CA 0.367 63.640 63.100 0.288 0.000 0.766 487 P CB 0.946 32.776 31.700 0.217 0.000 0.820 488 E N 3.524 123.787 120.200 0.106 0.000 2.187 488 E HA -0.263 4.007 4.350 -0.133 0.000 0.199 488 E C 1.791 178.426 176.600 0.060 0.000 1.004 488 E CA 1.939 58.388 56.400 0.082 0.000 0.813 488 E CB -0.654 29.050 29.700 0.008 0.000 0.736 488 E HN 0.494 nan 8.360 nan 0.000 0.468 489 A N -0.535 122.237 122.820 -0.079 0.000 2.070 489 A HA -0.114 4.126 4.320 -0.133 0.000 0.220 489 A C 1.492 178.979 177.584 -0.161 0.000 1.159 489 A CA 1.042 52.967 52.037 -0.187 0.000 0.656 489 A CB -0.685 18.119 19.000 -0.328 0.000 0.800 489 A HN 0.353 nan 8.150 nan 0.000 0.453 490 F N -0.389 119.623 119.950 0.104 0.000 2.811 490 F HA 0.262 4.709 4.527 -0.133 0.000 0.301 490 F C 2.307 178.071 175.800 -0.060 0.000 1.151 490 F CA -0.156 57.836 58.000 -0.013 0.000 1.412 490 F CB -0.548 38.342 39.000 -0.185 0.000 1.113 490 F HN 0.250 nan 8.300 nan 0.000 0.579 491 A N 0.030 122.987 122.820 0.229 0.000 1.883 491 A HA -0.214 4.026 4.320 -0.133 0.000 0.217 491 A C 2.373 180.004 177.584 0.079 0.000 1.186 491 A CA 2.530 54.701 52.037 0.223 0.000 0.624 491 A CB -1.203 17.882 19.000 0.143 0.000 0.822 491 A HN 0.312 nan 8.150 nan 0.000 0.444 492 T N -1.386 113.124 114.554 -0.074 0.000 2.674 492 T HA -0.211 4.059 4.350 -0.133 0.000 0.265 492 T C 1.548 176.148 174.700 -0.167 0.000 1.039 492 T CA 1.650 63.598 62.100 -0.253 0.000 1.150 492 T CB -0.392 68.130 68.868 -0.576 0.000 0.864 492 T HN 0.740 nan 8.240 nan 0.000 0.427 493 W N 1.640 123.011 121.300 0.117 0.000 2.467 493 W HA 0.079 4.659 4.660 -0.134 0.000 0.275 493 W C 2.447 178.961 176.519 -0.009 0.000 1.239 493 W CA -0.431 56.981 57.345 0.112 0.000 1.266 493 W CB -0.259 29.319 29.460 0.197 0.000 1.112 493 W HN 0.189 nan 8.180 nan 0.000 0.576 494 N N 0.210 118.968 118.700 0.096 0.000 2.188 494 N HA -0.176 4.484 4.740 -0.133 0.000 0.184 494 N C 1.492 177.027 175.510 0.041 0.000 1.018 494 N CA 1.307 54.320 53.050 -0.062 0.000 0.858 494 N CB -0.692 37.636 38.487 -0.266 0.000 0.989 494 N HN 0.135 nan 8.380 nan 0.000 0.426 495 F N 1.919 121.860 119.950 -0.015 0.000 2.113 495 F HA -0.127 4.320 4.527 -0.133 0.000 0.297 495 F C 2.274 178.051 175.800 -0.039 0.000 1.103 495 F CA 0.909 58.899 58.000 -0.016 0.000 1.248 495 F CB -0.432 38.562 39.000 -0.010 0.000 0.999 495 F HN -0.256 nan 8.300 nan 0.000 0.475 496 V N -0.626 119.372 119.914 0.139 0.000 2.287 496 V HA -0.327 3.713 4.120 -0.133 0.000 0.248 496 V C 2.653 178.697 176.094 -0.084 0.000 1.053 496 V CA 2.092 64.442 62.300 0.083 0.000 1.027 496 V CB -1.162 30.876 31.823 0.358 0.000 0.646 496 V HN 0.510 nan 8.190 nan 0.000 0.447 497 S N -0.340 115.315 115.700 -0.076 0.000 2.365 497 S HA -0.244 4.146 4.470 -0.133 0.000 0.225 497 S C 2.225 176.572 174.600 -0.422 0.000 1.039 497 S CA 2.286 60.341 58.200 -0.241 0.000 1.033 497 S CB -0.351 62.712 63.200 -0.227 0.000 0.887 497 S HN 0.642 nan 8.310 nan 0.000 0.447 498 S N 1.490 116.907 115.700 -0.473 0.000 2.368 498 S HA 0.020 4.410 4.470 -0.133 0.000 0.225 498 S C 1.813 175.658 174.600 -1.258 0.000 1.030 498 S CA 1.403 59.107 58.200 -0.827 0.000 0.999 498 S CB -0.542 62.268 63.200 -0.651 0.000 0.844 498 S HN 0.479 nan 8.310 nan 0.000 0.459 499 L N 1.018 121.749 121.223 -0.820 0.000 2.042 499 L HA -0.116 4.144 4.340 -0.133 0.000 0.210 499 L C 2.769 179.436 176.870 -0.339 0.000 1.076 499 L CA 1.266 55.795 54.840 -0.518 0.000 0.749 499 L CB -1.182 40.678 42.059 -0.332 0.000 0.893 499 L HN 0.431 nan 8.230 nan 0.000 0.432 500 G N -0.423 108.182 108.800 -0.325 0.000 2.418 500 G HA2 -0.259 3.621 3.960 -0.133 0.000 0.217 500 G HA3 -0.259 3.621 3.960 -0.133 0.000 0.217 500 G C 1.755 176.509 174.900 -0.244 0.000 1.158 500 G CA 0.802 45.761 45.100 -0.234 0.000 0.771 500 G HN 0.478 nan 8.290 nan 0.000 0.545 501 A N 0.266 122.844 122.820 -0.403 0.000 1.972 501 A HA 0.162 4.402 4.320 -0.133 0.000 0.219 501 A C 2.110 179.709 177.584 0.024 0.000 1.169 501 A CA 1.332 53.201 52.037 -0.280 0.000 0.635 501 A CB -0.420 18.347 19.000 -0.389 0.000 0.810 501 A HN 0.264 nan 8.150 nan 0.000 0.446 502 F N -0.744 119.200 119.950 -0.011 0.000 2.163 502 F HA -0.023 4.424 4.527 -0.134 0.000 0.297 502 F C 1.993 177.880 175.800 0.146 0.000 1.094 502 F CA 0.572 58.623 58.000 0.084 0.000 1.290 502 F CB -1.247 37.769 39.000 0.027 0.000 1.017 502 F HN 0.239 nan 8.300 nan 0.000 0.483 503 L N -0.013 121.358 121.223 0.247 0.000 2.042 503 L HA -0.195 4.065 4.340 -0.133 0.000 0.210 503 L C 2.340 179.334 176.870 0.206 0.000 1.076 503 L CA 1.787 56.737 54.840 0.182 0.000 0.749 503 L CB -1.150 40.972 42.059 0.105 0.000 0.893 503 L HN 0.007 nan 8.230 nan 0.000 0.432 504 S N -0.808 115.007 115.700 0.192 0.000 2.382 504 S HA -0.186 4.204 4.470 -0.133 0.000 0.228 504 S C 1.773 176.594 174.600 0.367 0.000 1.027 504 S CA 1.466 59.809 58.200 0.239 0.000 0.991 504 S CB -0.655 62.643 63.200 0.164 0.000 0.823 504 S HN 0.532 nan 8.310 nan 0.000 0.469 505 F N 2.704 122.784 119.950 0.217 0.000 2.113 505 F HA -0.020 4.426 4.527 -0.134 0.000 0.297 505 F C 2.391 178.369 175.800 0.296 0.000 1.103 505 F CA 0.725 58.885 58.000 0.267 0.000 1.248 505 F CB -1.043 38.098 39.000 0.236 0.000 0.999 505 F HN 0.168 nan 8.300 nan 0.000 0.475 506 A N -0.091 122.840 122.820 0.185 0.000 1.917 506 A HA -0.281 3.959 4.320 -0.133 0.000 0.219 506 A C 2.431 180.103 177.584 0.146 0.000 1.182 506 A CA 2.666 54.753 52.037 0.083 0.000 0.633 506 A CB -1.560 17.517 19.000 0.128 0.000 0.819 506 A HN 0.546 nan 8.150 nan 0.000 0.448 507 S N -1.604 114.236 115.700 0.232 0.000 2.382 507 S HA -0.165 4.225 4.470 -0.133 0.000 0.228 507 S C 1.822 176.637 174.600 0.358 0.000 1.027 507 S CA 1.533 59.927 58.200 0.324 0.000 0.991 507 S CB -0.612 62.809 63.200 0.368 0.000 0.823 507 S HN 0.503 nan 8.310 nan 0.000 0.469 508 F N 2.119 122.176 119.950 0.178 0.000 2.163 508 F HA 0.274 4.720 4.527 -0.135 0.000 0.297 508 F C 1.947 177.818 175.800 0.119 0.000 1.094 508 F CA 0.742 58.853 58.000 0.185 0.000 1.290 508 F CB -0.368 38.787 39.000 0.258 0.000 1.017 508 F HN 0.150 nan 8.300 nan 0.000 0.483 509 L N -1.156 120.043 121.223 -0.041 0.000 2.046 509 L HA -0.233 4.027 4.340 -0.133 0.000 0.208 509 L C 2.429 179.250 176.870 -0.082 0.000 1.077 509 L CA 1.498 56.240 54.840 -0.162 0.000 0.747 509 L CB -0.933 40.976 42.059 -0.250 0.000 0.896 509 L HN 0.197 nan 8.230 nan 0.000 0.432 510 F N 0.529 120.412 119.950 -0.112 0.000 2.102 510 F HA -0.299 4.148 4.527 -0.133 0.000 0.298 510 F C 2.396 178.100 175.800 -0.161 0.000 1.105 510 F CA 1.373 59.322 58.000 -0.086 0.000 1.239 510 F CB -0.428 38.570 39.000 -0.003 0.000 0.991 510 F HN 0.006 nan 8.300 nan 0.000 0.474 511 F N 1.022 120.726 119.950 -0.410 0.000 2.091 511 F HA -0.272 4.175 4.527 -0.134 0.000 0.299 511 F C 1.886 177.385 175.800 -0.502 0.000 1.103 511 F CA 2.102 59.693 58.000 -0.682 0.000 1.228 511 F CB -0.845 37.543 39.000 -1.019 0.000 0.984 511 F HN 0.007 nan 8.300 nan 0.000 0.477 512 L N 0.170 121.003 121.223 -0.650 0.000 2.042 512 L HA -0.164 4.096 4.340 -0.133 0.000 0.210 512 L C 2.872 179.492 176.870 -0.417 0.000 1.076 512 L CA 1.344 55.818 54.840 -0.610 0.000 0.749 512 L CB -1.698 40.133 42.059 -0.379 0.000 0.893 512 L HN 0.401 nan 8.230 nan 0.000 0.432 513 G N -0.294 108.290 108.800 -0.359 0.000 2.440 513 G HA2 -0.217 3.663 3.960 -0.133 0.000 0.218 513 G HA3 -0.217 3.663 3.960 -0.133 0.000 0.218 513 G C 1.596 176.335 174.900 -0.269 0.000 1.154 513 G CA 0.995 45.939 45.100 -0.260 0.000 0.767 513 G HN 0.200 nan 8.290 nan 0.000 0.552 514 V N 1.501 121.099 119.914 -0.526 0.000 2.343 514 V HA -0.159 3.881 4.120 -0.133 0.000 0.247 514 V C 2.814 178.758 176.094 -0.250 0.000 1.051 514 V CA 1.214 63.263 62.300 -0.417 0.000 1.036 514 V CB -0.347 31.204 31.823 -0.454 0.000 0.654 514 V HN 0.274 nan 8.190 nan 0.000 0.451 515 I N -0.520 119.778 120.570 -0.453 0.000 2.179 515 I HA -0.236 3.854 4.170 -0.133 0.000 0.242 515 I C 2.331 178.369 176.117 -0.131 0.000 1.088 515 I CA 1.813 62.903 61.300 -0.351 0.000 1.357 515 I CB -1.257 36.415 38.000 -0.548 0.000 1.051 515 I HN 0.355 nan 8.210 nan 0.000 0.409 516 F N 1.208 121.034 119.950 -0.207 0.000 2.069 516 F HA -0.328 4.118 4.527 -0.135 0.000 0.298 516 F C 2.837 178.598 175.800 -0.064 0.000 1.113 516 F CA 1.793 59.723 58.000 -0.117 0.000 1.214 516 F CB -0.796 38.137 39.000 -0.112 0.000 0.978 516 F HN 0.079 nan 8.300 nan 0.000 0.474 517 Y N 0.963 121.235 120.300 -0.046 0.000 2.128 517 Y HA -0.278 4.192 4.550 -0.133 0.000 0.284 517 Y C 2.472 178.274 175.900 -0.164 0.000 1.154 517 Y CA 2.547 60.589 58.100 -0.097 0.000 1.149 517 Y CB -0.985 37.452 38.460 -0.037 0.000 0.976 517 Y HN 0.075 nan 8.280 nan 0.000 0.505 518 T N 1.392 115.947 114.554 0.001 0.000 2.652 518 T HA -0.225 4.044 4.350 -0.133 0.000 0.267 518 T C 1.881 176.458 174.700 -0.204 0.000 1.039 518 T CA 2.040 64.102 62.100 -0.063 0.000 1.153 518 T CB -0.573 68.316 68.868 0.035 0.000 0.863 518 T HN 0.350 nan 8.240 nan 0.000 0.428 519 L N 0.166 121.255 121.223 -0.223 0.000 2.376 519 L HA 0.000 4.260 4.340 -0.133 0.000 0.219 519 L C 2.623 179.309 176.870 -0.307 0.000 1.133 519 L CA 0.847 55.558 54.840 -0.215 0.000 0.816 519 L CB -0.425 41.540 42.059 -0.158 0.000 0.933 519 L HN 0.291 nan 8.230 nan 0.000 0.449 520 T N -0.473 113.806 114.554 -0.458 0.000 3.046 520 T HA 0.059 4.329 4.350 -0.133 0.000 0.242 520 T C 1.294 175.753 174.700 -0.401 0.000 1.018 520 T CA 0.468 62.270 62.100 -0.496 0.000 1.131 520 T CB 0.310 68.678 68.868 -0.833 0.000 0.904 520 T HN 0.415 nan 8.240 nan 0.000 0.459 521 R N 0.269 120.454 120.500 -0.525 0.000 2.534 521 R HA 0.385 4.645 4.340 -0.133 0.000 0.438 521 R C 0.624 176.583 176.300 -0.569 0.000 0.913 521 R CA -0.574 55.229 56.100 -0.495 0.000 1.130 521 R CB -0.203 29.825 30.300 -0.453 0.000 1.611 521 R HN 0.168 nan 8.270 nan 0.000 0.571 522 G N 1.213 109.729 108.800 -0.473 0.000 2.544 522 G HA2 0.401 4.281 3.960 -0.133 0.000 0.242 522 G HA3 0.401 4.281 3.960 -0.133 0.000 0.242 522 G C 0.224 175.041 174.900 -0.139 0.000 1.247 522 G CA -0.052 44.900 45.100 -0.246 0.000 0.840 522 G HN 0.421 nan 8.290 nan 0.000 0.578 523 A N 1.597 124.380 122.820 -0.061 0.000 2.587 523 A HA 0.223 4.463 4.320 -0.133 0.000 0.235 523 A C 1.098 178.622 177.584 -0.101 0.000 1.044 523 A CA 0.058 52.056 52.037 -0.065 0.000 0.754 523 A CB 0.005 18.974 19.000 -0.052 0.000 0.968 523 A HN 0.805 nan 8.150 nan 0.000 0.509 524 R N 2.244 122.694 120.500 -0.084 0.000 2.522 524 R HA 0.280 4.540 4.340 -0.133 0.000 0.284 524 R C -0.625 175.617 176.300 -0.097 0.000 1.032 524 R CA -0.124 55.927 56.100 -0.082 0.000 1.049 524 R CB 0.181 30.447 30.300 -0.057 0.000 0.956 524 R HN 0.505 nan 8.270 nan 0.000 0.422 525 V N 4.529 124.377 119.914 -0.110 0.000 2.498 525 V HA 0.079 4.119 4.120 -0.133 0.000 0.279 525 V C 0.870 176.939 176.094 -0.041 0.000 1.048 525 V CA 0.154 62.379 62.300 -0.125 0.000 0.967 525 V CB 1.553 33.270 31.823 -0.176 0.000 0.988 525 V HN 0.978 nan 8.190 nan 0.000 0.473 526 T N 2.862 117.406 114.554 -0.016 0.000 2.987 526 T HA 0.325 4.594 4.350 -0.133 0.000 0.248 526 T C 0.603 175.330 174.700 0.045 0.000 0.997 526 T CA 0.679 62.785 62.100 0.009 0.000 1.013 526 T CB 0.467 69.333 68.868 -0.003 0.000 1.077 526 T HN 0.758 nan 8.240 nan 0.000 0.483 527 A N 1.263 124.131 122.820 0.080 0.000 2.303 527 A HA 0.552 4.792 4.320 -0.133 0.000 0.317 527 A C 0.861 178.545 177.584 0.167 0.000 1.149 527 A CA -0.525 51.576 52.037 0.106 0.000 0.822 527 A CB 0.489 19.545 19.000 0.093 0.000 1.131 527 A HN 0.193 nan 8.150 nan 0.000 0.493 528 N N 0.866 119.646 118.700 0.133 0.000 2.069 528 N HA -0.120 4.540 4.740 -0.133 0.000 0.191 528 N C 0.232 175.885 175.510 0.238 0.000 1.031 528 N CA 1.554 54.702 53.050 0.165 0.000 0.852 528 N CB -0.123 38.439 38.487 0.125 0.000 1.018 528 N HN 0.692 nan 8.380 nan 0.000 0.423 529 N N 0.118 118.907 118.700 0.148 0.000 2.564 529 N HA 0.035 4.695 4.740 -0.133 0.000 0.248 529 N C -0.651 174.775 175.510 -0.141 0.000 0.986 529 N CA -0.422 52.634 53.050 0.010 0.000 0.921 529 N CB 0.284 38.778 38.487 0.011 0.000 1.136 529 N HN 0.204 nan 8.380 nan 0.000 0.509 530 Y N 1.081 121.261 120.300 -0.201 0.000 2.461 530 Y HA 0.412 4.881 4.550 -0.134 0.000 0.277 530 Y C 0.767 176.406 175.900 -0.436 0.000 1.182 530 Y CA -0.841 57.063 58.100 -0.327 0.000 1.276 530 Y CB -0.250 37.969 38.460 -0.401 0.000 1.087 530 Y HN 0.341 nan 8.280 nan 0.000 0.519 531 W N 2.103 123.161 121.300 -0.404 0.000 3.319 531 W HA 0.232 4.812 4.660 -0.134 0.000 0.280 531 W C 0.038 176.402 176.519 -0.258 0.000 1.574 531 W CA 0.199 57.328 57.345 -0.359 0.000 1.868 531 W CB -0.085 28.934 29.460 -0.734 0.000 1.455 531 W HN 0.074 nan 8.180 nan 0.000 0.499 532 N N -1.395 117.265 118.700 -0.066 0.000 3.046 532 N HA 0.007 4.667 4.740 -0.133 0.000 0.243 532 N C 0.180 175.613 175.510 -0.128 0.000 1.452 532 N CA -0.354 52.662 53.050 -0.057 0.000 0.882 532 N CB 0.493 38.990 38.487 0.017 0.000 1.425 532 N HN 0.184 nan 8.380 nan 0.000 0.517 533 E N -0.562 119.556 120.200 -0.136 0.000 2.267 533 E HA -0.261 4.009 4.350 -0.133 0.000 0.197 533 E C 0.155 176.580 176.600 -0.292 0.000 0.998 533 E CA 1.418 57.684 56.400 -0.223 0.000 0.830 533 E CB -0.589 28.941 29.700 -0.284 0.000 0.751 533 E HN 0.657 nan 8.360 nan 0.000 0.491 534 H N 0.914 119.922 119.070 -0.104 0.000 2.547 534 H HA 0.295 4.771 4.556 -0.134 0.000 0.266 534 H C 0.389 175.633 175.328 -0.139 0.000 0.988 534 H CA 0.693 56.679 56.048 -0.104 0.000 1.147 534 H CB 0.190 29.888 29.762 -0.106 0.000 1.365 534 H HN 0.164 nan 8.280 nan 0.000 0.589 535 A N 2.384 125.119 122.820 -0.143 0.000 2.666 535 A HA 0.098 4.338 4.320 -0.133 0.000 0.312 535 A C 0.141 177.729 177.584 0.005 0.000 1.471 535 A CA -0.560 51.359 52.037 -0.198 0.000 1.134 535 A CB -0.332 18.191 19.000 -0.795 0.000 1.129 535 A HN 0.272 nan 8.150 nan 0.000 0.539 536 D N 1.194 121.679 120.400 0.142 0.000 2.501 536 D HA 0.072 4.632 4.640 -0.133 0.000 0.226 536 D C 0.538 176.973 176.300 0.224 0.000 1.198 536 D CA 0.304 54.389 54.000 0.143 0.000 0.830 536 D CB -0.401 40.425 40.800 0.043 0.000 1.014 536 D HN 0.377 nan 8.370 nan 0.000 0.496 537 T N -2.915 111.879 114.554 0.400 0.000 2.897 537 T HA 0.404 4.674 4.350 -0.133 0.000 0.278 537 T C 1.518 176.445 174.700 0.379 0.000 0.981 537 T CA -0.881 61.430 62.100 0.352 0.000 0.973 537 T CB 1.208 70.285 68.868 0.348 0.000 1.092 537 T HN -0.041 nan 8.240 nan 0.000 0.543 538 L N 0.806 122.234 121.223 0.341 0.000 2.191 538 L HA -0.070 4.190 4.340 -0.133 0.000 0.212 538 L C 3.073 180.118 176.870 0.292 0.000 1.103 538 L CA 1.368 56.409 54.840 0.334 0.000 0.769 538 L CB -0.632 41.649 42.059 0.370 0.000 0.908 538 L HN 0.856 nan 8.230 nan 0.000 0.438 539 E N 0.292 120.612 120.200 0.201 0.000 2.153 539 E HA -0.266 4.004 4.350 -0.133 0.000 0.194 539 E C 1.587 178.097 176.600 -0.150 0.000 0.988 539 E CA 1.437 57.813 56.400 -0.040 0.000 0.811 539 E CB -0.626 29.006 29.700 -0.114 0.000 0.746 539 E HN 0.624 nan 8.360 nan 0.000 0.466 540 W N 1.096 122.525 121.300 0.215 0.000 3.077 540 W HA 0.124 4.705 4.660 -0.132 0.000 0.245 540 W C 1.692 178.256 176.519 0.075 0.000 1.316 540 W CA 0.472 57.875 57.345 0.097 0.000 1.537 540 W CB 0.311 29.811 29.460 0.066 0.000 1.131 540 W HN -0.016 nan 8.180 nan 0.000 0.695 541 T N 0.385 115.083 114.554 0.240 0.000 3.022 541 T HA 0.217 4.487 4.350 -0.133 0.000 0.250 541 T C 0.670 175.429 174.700 0.098 0.000 1.060 541 T CA 0.250 62.453 62.100 0.171 0.000 1.013 541 T CB 0.083 69.067 68.868 0.193 0.000 0.982 541 T HN -0.203 nan 8.240 nan 0.000 0.508 542 L N 0.459 121.722 121.223 0.066 0.000 2.331 542 L HA 0.529 4.788 4.340 -0.133 0.000 0.268 542 L C 0.869 177.754 176.870 0.025 0.000 1.015 542 L CA -1.068 53.766 54.840 -0.010 0.000 0.807 542 L CB 0.864 42.860 42.059 -0.105 0.000 1.293 542 L HN -0.109 nan 8.230 nan 0.000 0.451 543 T N -0.518 114.035 114.554 -0.002 0.000 2.701 543 T HA 0.174 4.444 4.350 -0.133 0.000 0.303 543 T C -0.016 174.715 174.700 0.053 0.000 1.030 543 T CA -0.312 61.804 62.100 0.027 0.000 1.010 543 T CB 0.468 69.336 68.868 -0.000 0.000 1.007 543 T HN 0.568 nan 8.240 nan 0.000 0.532 544 S N 4.109 119.857 115.700 0.080 0.000 2.669 544 S HA 0.459 4.849 4.470 -0.133 0.000 0.315 544 S C -2.497 172.139 174.600 0.060 0.000 1.106 544 S CA -0.953 57.313 58.200 0.109 0.000 1.107 544 S CB 1.487 64.812 63.200 0.210 0.000 0.990 544 S HN 0.684 nan 8.310 nan 0.000 0.471 545 P HA 0.398 nan 4.420 nan 0.000 0.274 545 P C -2.904 174.396 177.300 0.000 0.000 1.256 545 P CA -1.749 61.377 63.100 0.044 0.000 0.795 545 P CB -0.630 31.093 31.700 0.038 0.000 1.038 546 P HA 0.223 nan 4.420 nan 0.000 0.272 546 P C -2.282 174.937 177.300 -0.136 0.000 1.230 546 P CA -0.977 62.060 63.100 -0.104 0.000 0.788 546 P CB -1.315 30.286 31.700 -0.165 0.000 0.949 547 P HA 0.026 nan 4.420 nan 0.000 0.269 547 P C 0.861 178.036 177.300 -0.208 0.000 1.215 547 P CA 0.207 63.222 63.100 -0.142 0.000 0.780 547 P CB 0.357 31.986 31.700 -0.118 0.000 0.898 548 E N 0.123 120.188 120.200 -0.225 0.000 2.097 548 E HA -0.218 4.052 4.350 -0.133 0.000 0.196 548 E C -0.126 176.139 176.600 -0.559 0.000 1.000 548 E CA 1.502 57.665 56.400 -0.396 0.000 0.804 548 E CB -0.264 29.205 29.700 -0.385 0.000 0.740 548 E HN 0.619 nan 8.360 nan 0.000 0.454 549 H N -0.282 118.700 119.070 -0.147 0.000 2.551 549 H HA 0.199 4.674 4.556 -0.134 0.000 0.321 549 H C -0.396 174.839 175.328 -0.155 0.000 1.028 549 H CA -0.436 55.536 56.048 -0.126 0.000 1.215 549 H CB 1.320 31.027 29.762 -0.092 0.000 1.414 549 H HN -0.033 nan 8.280 nan 0.000 0.480 550 T N 0.375 114.869 114.554 -0.100 0.000 2.925 550 T HA 0.556 4.826 4.350 -0.133 0.000 0.285 550 T C -0.325 174.281 174.700 -0.156 0.000 1.021 550 T CA -0.776 61.139 62.100 -0.309 0.000 1.042 550 T CB 1.138 69.678 68.868 -0.547 0.000 1.037 550 T HN 0.405 nan 8.240 nan 0.000 0.481 551 F N 0.000 119.945 119.950 -0.009 0.000 2.286 551 F HA 0.000 4.446 4.527 -0.134 0.000 0.279 551 F CA 0.000 57.987 58.000 -0.021 0.000 1.383 551 F CB 0.000 38.976 39.000 -0.040 0.000 1.145 551 F HN 0.000 nan 8.300 nan 0.000 0.574