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 3dtu_1_C 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 PEHTFE 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 0.000 176.022 175.800 0.370 0.000 0.967 17 F CA 0.000 58.154 58.000 0.257 0.000 1.383 17 F CB 0.000 39.118 39.000 0.197 0.000 1.145 18 T N 1.136 115.964 114.554 0.457 0.000 3.264 18 T HA 0.265 4.615 4.350 0.000 0.000 0.257 18 T C 1.215 176.110 174.700 0.325 0.000 0.976 18 T CA 0.228 62.612 62.100 0.473 0.000 0.908 18 T CB -0.148 68.911 68.868 0.319 0.000 1.082 18 T HN 0.150 nan 8.240 nan 0.000 0.567 19 R N -1.141 119.483 120.500 0.206 0.000 2.237 19 R HA 0.176 4.516 4.340 0.000 0.000 0.195 19 R C 1.399 177.693 176.300 -0.010 0.000 0.956 19 R CA 0.242 56.370 56.100 0.047 0.000 1.029 19 R CB 0.083 30.327 30.300 -0.095 0.000 0.972 19 R HN 0.464 nan 8.270 nan 0.000 0.493 20 W N 0.371 121.668 121.300 -0.005 0.000 2.333 20 W HA -0.157 4.503 4.660 0.000 0.000 0.316 20 W C 1.379 177.766 176.519 -0.220 0.000 1.215 20 W CA 0.969 58.203 57.345 -0.186 0.000 1.278 20 W CB -0.290 28.962 29.460 -0.346 0.000 1.154 20 W HN -0.034 nan 8.180 nan 0.000 0.486 21 F N -1.041 119.111 119.950 0.338 0.000 2.604 21 F HA -0.090 4.437 4.527 0.000 0.000 0.298 21 F C 2.030 178.083 175.800 0.423 0.000 1.131 21 F CA 0.776 58.992 58.000 0.360 0.000 1.457 21 F CB -0.342 38.993 39.000 0.558 0.000 1.095 21 F HN -0.148 nan 8.300 nan 0.000 0.574 22 M N -1.479 118.355 119.600 0.391 0.000 2.333 22 M HA 0.140 4.620 4.480 0.000 0.000 0.257 22 M C 0.789 177.187 176.300 0.163 0.000 1.078 22 M CA 0.212 55.684 55.300 0.287 0.000 1.005 22 M CB -0.241 32.477 32.600 0.196 0.000 1.444 22 M HN -0.124 nan 8.290 nan 0.000 0.496 23 S N 1.702 117.455 115.700 0.088 0.000 2.549 23 S HA 0.127 4.597 4.470 0.000 0.000 0.279 23 S C 1.309 175.926 174.600 0.029 0.000 1.321 23 S CA 0.177 58.375 58.200 -0.004 0.000 1.054 23 S CB 0.613 63.747 63.200 -0.110 0.000 0.899 23 S HN 0.545 nan 8.310 nan 0.000 0.497 24 T N 1.337 115.901 114.554 0.016 0.000 3.054 24 T HA 0.198 4.548 4.350 0.000 0.000 0.255 24 T C 0.516 175.221 174.700 0.008 0.000 1.035 24 T CA -0.429 61.698 62.100 0.046 0.000 0.941 24 T CB -0.318 68.591 68.868 0.067 0.000 1.026 24 T HN 0.570 nan 8.240 nan 0.000 0.533 25 N N 1.979 120.641 118.700 -0.064 0.000 2.497 25 N HA -0.007 4.733 4.740 0.000 0.000 0.271 25 N C 1.264 176.677 175.510 -0.162 0.000 1.142 25 N CA 0.123 53.100 53.050 -0.122 0.000 0.965 25 N CB 0.888 39.233 38.487 -0.237 0.000 1.077 25 N HN 0.646 nan 8.380 nan 0.000 0.462 26 H N 3.498 122.467 119.070 -0.169 0.000 2.426 26 H HA -0.101 4.455 4.556 0.000 0.000 0.298 26 H C 1.210 176.359 175.328 -0.298 0.000 1.107 26 H CA 1.576 57.510 56.048 -0.189 0.000 1.298 26 H CB 0.207 29.849 29.762 -0.199 0.000 1.377 26 H HN 0.541 nan 8.280 nan 0.000 0.519 27 K N 0.208 119.909 120.400 -1.166 0.000 2.057 27 K HA -0.115 4.205 4.320 0.000 0.000 0.206 27 K C 1.652 178.018 176.600 -0.391 0.000 1.050 27 K CA 1.370 56.951 56.287 -1.177 0.000 0.935 27 K CB 0.039 31.730 32.500 -1.348 0.000 0.715 27 K HN 0.385 nan 8.250 nan 0.000 0.439 28 D N 1.138 121.384 120.400 -0.258 0.000 2.097 28 D HA -0.108 4.532 4.640 0.000 0.000 0.197 28 D C 1.978 178.293 176.300 0.024 0.000 0.984 28 D CA 1.013 55.022 54.000 0.015 0.000 0.826 28 D CB -0.244 40.484 40.800 -0.119 0.000 0.973 28 D HN 0.133 nan 8.370 nan 0.000 0.460 29 I N 1.209 121.741 120.570 -0.063 0.000 2.208 29 I HA -0.210 3.960 4.170 0.000 0.000 0.245 29 I C 2.569 178.735 176.117 0.082 0.000 1.097 29 I CA 1.439 62.715 61.300 -0.041 0.000 1.363 29 I CB -0.532 37.502 38.000 0.056 0.000 1.051 29 I HN 0.025 nan 8.210 nan 0.000 0.413 30 G N 0.450 109.293 108.800 0.071 0.000 2.440 30 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 30 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 30 G C 1.696 176.634 174.900 0.064 0.000 1.154 30 G CA 1.052 46.217 45.100 0.109 0.000 0.767 30 G HN 0.269 nan 8.290 nan 0.000 0.552 31 V N 0.876 120.827 119.914 0.061 0.000 2.427 31 V HA -0.102 4.018 4.120 0.000 0.000 0.248 31 V C 2.910 178.943 176.094 -0.102 0.000 1.051 31 V CA 1.300 63.567 62.300 -0.056 0.000 1.048 31 V CB -0.388 31.458 31.823 0.038 0.000 0.666 31 V HN 0.346 nan 8.190 nan 0.000 0.456 32 L N -1.471 119.653 121.223 -0.166 0.000 1.989 32 L HA -0.235 4.106 4.340 0.000 0.000 0.211 32 L C 2.509 179.350 176.870 -0.048 0.000 1.071 32 L CA 2.104 56.726 54.840 -0.364 0.000 0.749 32 L CB -0.714 40.717 42.059 -1.046 0.000 0.890 32 L HN 0.286 nan 8.230 nan 0.000 0.431 33 Y N -0.164 120.151 120.300 0.026 0.000 2.165 33 Y HA -0.276 4.274 4.550 0.000 0.000 0.286 33 Y C 2.502 178.444 175.900 0.071 0.000 1.155 33 Y CA 1.243 59.451 58.100 0.181 0.000 1.164 33 Y CB -0.190 38.304 38.460 0.057 0.000 0.978 33 Y HN 0.071 nan 8.280 nan 0.000 0.513 34 L N -1.820 119.435 121.223 0.054 0.000 1.994 34 L HA -0.262 4.078 4.340 0.000 0.000 0.208 34 L C 2.149 178.992 176.870 -0.046 0.000 1.071 34 L CA 1.287 56.041 54.840 -0.144 0.000 0.745 34 L CB -0.606 41.204 42.059 -0.415 0.000 0.892 34 L HN 0.160 nan 8.230 nan 0.000 0.431 35 F N 0.108 120.052 119.950 -0.009 0.000 2.102 35 F HA -0.231 4.296 4.527 0.000 0.000 0.298 35 F C 2.700 178.555 175.800 0.091 0.000 1.105 35 F CA 1.786 59.786 58.000 0.002 0.000 1.239 35 F CB -1.143 37.793 39.000 -0.107 0.000 0.991 35 F HN 0.041 nan 8.300 nan 0.000 0.474 36 T N -0.796 113.971 114.554 0.354 0.000 2.737 36 T HA -0.115 4.235 4.350 0.000 0.000 0.265 36 T C 2.368 177.284 174.700 0.360 0.000 1.038 36 T CA 1.395 63.695 62.100 0.334 0.000 1.144 36 T CB -1.145 67.967 68.868 0.408 0.000 0.866 36 T HN 0.398 nan 8.240 nan 0.000 0.434 37 G N 1.100 110.139 108.800 0.398 0.000 2.469 37 G HA2 -0.138 3.822 3.960 0.000 0.000 0.219 37 G HA3 -0.138 3.822 3.960 0.000 0.000 0.219 37 G C 1.702 176.757 174.900 0.260 0.000 1.150 37 G CA 1.081 46.373 45.100 0.320 0.000 0.763 37 G HN 0.581 nan 8.290 nan 0.000 0.561 38 G N 0.473 109.433 108.800 0.267 0.000 2.408 38 G HA2 -0.048 3.912 3.960 0.000 0.000 0.217 38 G HA3 -0.048 3.912 3.960 0.000 0.000 0.217 38 G C 1.710 176.827 174.900 0.362 0.000 1.150 38 G CA 0.987 46.293 45.100 0.344 0.000 0.776 38 G HN 0.420 nan 8.290 nan 0.000 0.542 39 L N 0.987 122.381 121.223 0.285 0.000 2.005 39 L HA -0.002 4.338 4.340 0.000 0.000 0.207 39 L C 2.923 179.906 176.870 0.188 0.000 1.072 39 L CA 1.594 56.568 54.840 0.222 0.000 0.744 39 L CB -0.683 41.474 42.059 0.162 0.000 0.895 39 L HN 0.073 nan 8.230 nan 0.000 0.433 40 V N 0.488 120.504 119.914 0.170 0.000 2.332 40 V HA -0.230 3.890 4.120 0.000 0.000 0.248 40 V C 2.699 178.856 176.094 0.105 0.000 1.055 40 V CA 1.744 64.116 62.300 0.120 0.000 1.038 40 V CB -1.992 29.934 31.823 0.171 0.000 0.651 40 V HN 0.647 nan 8.190 nan 0.000 0.450 41 G N 0.376 109.271 108.800 0.158 0.000 2.574 41 G HA2 -0.346 3.614 3.960 0.000 0.000 0.220 41 G HA3 -0.346 3.614 3.960 0.000 0.000 0.220 41 G C 1.586 176.554 174.900 0.114 0.000 1.173 41 G CA 1.567 46.735 45.100 0.112 0.000 0.772 41 G HN 0.455 nan 8.290 nan 0.000 0.585 42 L N 0.870 122.288 121.223 0.325 0.000 2.012 42 L HA -0.021 4.319 4.340 0.000 0.000 0.210 42 L C 2.754 179.741 176.870 0.196 0.000 1.073 42 L CA 1.466 56.563 54.840 0.429 0.000 0.748 42 L CB -0.494 41.856 42.059 0.485 0.000 0.891 42 L HN 0.346 nan 8.230 nan 0.000 0.431 43 I N -1.324 119.279 120.570 0.055 0.000 2.127 43 I HA -0.338 3.832 4.170 0.000 0.000 0.241 43 I C 2.675 178.504 176.117 -0.480 0.000 1.075 43 I CA 1.729 62.933 61.300 -0.160 0.000 1.334 43 I CB -0.641 37.241 38.000 -0.196 0.000 1.040 43 I HN 0.333 nan 8.210 nan 0.000 0.405 44 S N 0.240 115.718 115.700 -0.369 0.000 2.382 44 S HA -0.125 4.345 4.470 0.000 0.000 0.228 44 S C 2.066 176.635 174.600 -0.051 0.000 1.027 44 S CA 1.178 59.195 58.200 -0.306 0.000 0.991 44 S CB -0.202 62.966 63.200 -0.052 0.000 0.823 44 S HN 0.228 nan 8.310 nan 0.000 0.469 45 V N 1.975 121.876 119.914 -0.022 0.000 2.407 45 V HA -0.121 3.999 4.120 0.000 0.000 0.248 45 V C 2.775 178.836 176.094 -0.055 0.000 1.055 45 V CA 1.651 63.952 62.300 0.001 0.000 1.049 45 V CB -1.252 30.569 31.823 -0.004 0.000 0.662 45 V HN 0.594 nan 8.190 nan 0.000 0.455 46 A N -0.130 122.680 122.820 -0.018 0.000 1.902 46 A HA -0.168 4.152 4.320 0.000 0.000 0.217 46 A C 2.036 179.691 177.584 0.119 0.000 1.181 46 A CA 1.615 53.619 52.037 -0.055 0.000 0.623 46 A CB -0.643 18.426 19.000 0.114 0.000 0.818 46 A HN 0.432 nan 8.150 nan 0.000 0.443 47 F N 1.296 121.228 119.950 -0.031 0.000 2.091 47 F HA -0.216 4.311 4.527 0.000 0.000 0.299 47 F C 3.026 178.749 175.800 -0.129 0.000 1.103 47 F CA 1.612 59.592 58.000 -0.034 0.000 1.228 47 F CB -1.684 37.316 39.000 0.000 0.000 0.984 47 F HN 0.449 nan 8.300 nan 0.000 0.477 48 T N -1.988 112.547 114.554 -0.032 0.000 2.821 48 T HA -0.103 4.247 4.350 0.000 0.000 0.267 48 T C 2.105 176.736 174.700 -0.115 0.000 1.046 48 T CA 1.408 63.389 62.100 -0.197 0.000 1.139 48 T CB -1.044 67.651 68.868 -0.288 0.000 0.871 48 T HN 0.070 nan 8.240 nan 0.000 0.454 49 V N 0.493 120.334 119.914 -0.122 0.000 2.287 49 V HA -0.129 3.991 4.120 0.000 0.000 0.248 49 V C 2.351 178.482 176.094 0.062 0.000 1.053 49 V CA 1.920 64.179 62.300 -0.068 0.000 1.027 49 V CB -1.009 30.585 31.823 -0.381 0.000 0.646 49 V HN 0.519 nan 8.190 nan 0.000 0.447 50 Y N 0.213 120.435 120.300 -0.130 0.000 2.181 50 Y HA -0.254 4.296 4.550 0.000 0.000 0.288 50 Y C 2.452 178.299 175.900 -0.087 0.000 1.146 50 Y CA 1.691 59.699 58.100 -0.154 0.000 1.164 50 Y CB -0.459 37.910 38.460 -0.151 0.000 0.982 50 Y HN 0.196 nan 8.280 nan 0.000 0.515 51 M N -0.607 118.927 119.600 -0.111 0.000 2.080 51 M HA -0.258 4.222 4.480 0.000 0.000 0.260 51 M C 2.148 178.521 176.300 0.123 0.000 1.068 51 M CA 1.810 57.051 55.300 -0.097 0.000 1.109 51 M CB -0.267 32.175 32.600 -0.265 0.000 1.342 51 M HN 0.028 nan 8.290 nan 0.000 0.405 52 R N -0.384 120.127 120.500 0.019 0.000 2.193 52 R HA 0.037 4.377 4.340 0.000 0.000 0.213 52 R C 1.991 178.323 176.300 0.053 0.000 1.055 52 R CA 0.980 57.066 56.100 -0.023 0.000 0.995 52 R CB -0.386 29.772 30.300 -0.237 0.000 0.893 52 R HN 0.479 nan 8.270 nan 0.000 0.459 53 M N 0.363 120.011 119.600 0.080 0.000 2.065 53 M HA -0.191 4.289 4.480 0.000 0.000 0.259 53 M C 2.116 178.348 176.300 -0.114 0.000 1.069 53 M CA 1.709 56.956 55.300 -0.089 0.000 1.110 53 M CB -0.240 32.005 32.600 -0.592 0.000 1.328 53 M HN -0.105 nan 8.290 nan 0.000 0.405 54 E N 0.612 120.727 120.200 -0.140 0.000 2.153 54 E HA -0.123 4.227 4.350 0.000 0.000 0.194 54 E C 1.581 178.267 176.600 0.143 0.000 0.988 54 E CA 1.226 57.698 56.400 0.120 0.000 0.811 54 E CB -0.250 29.517 29.700 0.112 0.000 0.746 54 E HN 0.489 nan 8.360 nan 0.000 0.466 55 L N -0.065 121.254 121.223 0.159 0.000 2.591 55 L HA 0.151 4.491 4.340 0.000 0.000 0.228 55 L C 2.229 179.258 176.870 0.264 0.000 1.133 55 L CA 0.025 54.995 54.840 0.216 0.000 0.880 55 L CB -0.229 41.904 42.059 0.123 0.000 1.033 55 L HN 0.258 nan 8.230 nan 0.000 0.450 56 M N 0.296 120.025 119.600 0.214 0.000 2.149 56 M HA -0.069 4.412 4.480 0.000 0.000 0.261 56 M C 0.738 177.265 176.300 0.379 0.000 1.064 56 M CA 1.421 56.873 55.300 0.253 0.000 1.102 56 M CB 0.214 32.984 32.600 0.283 0.000 1.369 56 M HN 0.235 nan 8.290 nan 0.000 0.408 57 A N 0.594 123.598 122.820 0.307 0.000 2.449 57 A HA 0.713 5.033 4.320 0.000 0.000 0.302 57 A C -2.664 174.913 177.584 -0.011 0.000 1.048 57 A CA -1.570 50.592 52.037 0.208 0.000 0.708 57 A CB 0.818 19.904 19.000 0.144 0.000 1.274 57 A HN 0.164 nan 8.150 nan 0.000 0.410 58 P HA 0.418 nan 4.420 nan 0.000 0.269 58 P C 0.502 177.626 177.300 -0.294 0.000 1.215 58 P CA 1.429 64.199 63.100 -0.550 0.000 0.780 58 P CB 0.669 32.176 31.700 -0.323 0.000 0.898 59 G N 0.160 108.775 108.800 -0.309 0.000 2.722 59 G HA2 -0.083 3.877 3.960 0.000 0.000 0.686 59 G HA3 -0.083 3.877 3.960 0.000 0.000 0.686 59 G C -0.945 173.861 174.900 -0.155 0.000 1.282 59 G CA -0.715 44.273 45.100 -0.185 0.000 0.817 59 G HN 0.447 nan 8.290 nan 0.000 0.605 60 V N 2.335 122.179 119.914 -0.117 0.000 2.406 60 V HA 0.469 4.589 4.120 0.000 0.000 0.272 60 V C 0.893 176.942 176.094 -0.074 0.000 1.043 60 V CA 0.412 62.669 62.300 -0.072 0.000 0.915 60 V CB 1.423 33.210 31.823 -0.061 0.000 0.988 60 V HN 0.859 nan 8.190 nan 0.000 0.466 61 Q N 2.446 122.203 119.800 -0.072 0.000 2.322 61 Q HA 0.344 4.684 4.340 0.000 0.000 0.250 61 Q C 0.849 176.623 176.000 -0.376 0.000 0.853 61 Q CA 0.504 56.145 55.803 -0.271 0.000 0.951 61 Q CB 0.499 28.970 28.738 -0.445 0.000 1.114 61 Q HN 0.797 nan 8.270 nan 0.000 0.523 62 F N -0.775 119.220 119.950 0.075 0.000 2.537 62 F HA 0.295 4.822 4.527 0.000 0.000 0.277 62 F C 0.844 176.795 175.800 0.251 0.000 1.013 62 F CA 0.126 58.236 58.000 0.184 0.000 1.332 62 F CB 0.418 39.490 39.000 0.119 0.000 1.108 62 F HN -0.119 nan 8.300 nan 0.000 0.679 63 M N 1.834 121.624 119.600 0.316 0.000 3.586 63 M HA 0.186 4.666 4.480 0.000 0.000 0.225 63 M C -1.102 175.276 176.300 0.130 0.000 1.428 63 M CA -0.179 55.276 55.300 0.259 0.000 1.613 63 M CB -0.650 32.075 32.600 0.208 0.000 1.063 63 M HN 0.078 nan 8.290 nan 0.000 0.593 64 c N 0.444 119.065 118.600 0.036 0.000 2.350 64 c HA 0.506 5.076 4.570 0.000 0.000 0.348 64 c C 1.893 175.898 174.090 -0.142 0.000 1.260 64 c CA -0.723 55.504 56.329 -0.170 0.000 1.966 64 c CB 0.789 43.017 42.510 -0.470 0.000 2.380 64 c HN 0.869 nan 8.230 nan 0.000 0.535 65 A N 1.481 124.259 122.820 -0.070 0.000 2.070 65 A HA -0.111 4.209 4.320 0.000 0.000 0.220 65 A C 1.854 179.420 177.584 -0.030 0.000 1.159 65 A CA 1.470 53.497 52.037 -0.017 0.000 0.656 65 A CB -0.358 18.640 19.000 -0.004 0.000 0.800 65 A HN 0.929 nan 8.150 nan 0.000 0.453 66 E N -0.315 119.817 120.200 -0.114 0.000 2.160 66 E HA -0.177 4.173 4.350 0.000 0.000 0.195 66 E C 1.677 178.303 176.600 0.044 0.000 0.991 66 E CA 1.331 57.690 56.400 -0.068 0.000 0.810 66 E CB -0.346 29.285 29.700 -0.115 0.000 0.742 66 E HN 0.710 nan 8.360 nan 0.000 0.466 67 H N -0.250 118.868 119.070 0.081 0.000 2.491 67 H HA -0.011 4.545 4.556 0.000 0.000 0.290 67 H C 1.926 177.310 175.328 0.094 0.000 1.050 67 H CA 0.741 56.847 56.048 0.096 0.000 1.309 67 H CB -0.265 29.567 29.762 0.116 0.000 1.392 67 H HN 0.195 nan 8.280 nan 0.000 0.554 68 L N 0.302 121.635 121.223 0.183 0.000 2.141 68 L HA -0.128 4.212 4.340 0.000 0.000 0.209 68 L C 2.240 179.175 176.870 0.108 0.000 1.094 68 L CA 1.067 55.986 54.840 0.132 0.000 0.763 68 L CB -0.268 41.846 42.059 0.092 0.000 0.908 68 L HN 0.233 nan 8.230 nan 0.000 0.437 69 E N -0.277 119.981 120.200 0.098 0.000 2.153 69 E HA -0.084 4.266 4.350 0.000 0.000 0.194 69 E C 1.129 177.781 176.600 0.087 0.000 0.988 69 E CA 0.518 56.965 56.400 0.079 0.000 0.811 69 E CB 0.055 29.794 29.700 0.066 0.000 0.746 69 E HN 0.409 nan 8.360 nan 0.000 0.466 70 S N 0.096 115.864 115.700 0.113 0.000 2.632 70 S HA 0.225 4.695 4.470 0.000 0.000 0.254 70 S C 0.672 175.335 174.600 0.105 0.000 1.291 70 S CA -0.299 57.968 58.200 0.110 0.000 0.974 70 S CB 0.450 63.730 63.200 0.133 0.000 1.016 70 S HN 0.313 nan 8.310 nan 0.000 0.579 71 G N -0.627 108.235 108.800 0.104 0.000 2.616 71 G HA2 0.345 4.305 3.960 0.000 0.000 0.268 71 G HA3 0.345 4.305 3.960 0.000 0.000 0.268 71 G C 0.710 175.688 174.900 0.130 0.000 1.213 71 G CA -0.547 44.615 45.100 0.102 0.000 0.926 71 G HN 0.503 nan 8.290 nan 0.000 0.523 72 L N 0.625 121.923 121.223 0.125 0.000 2.046 72 L HA -0.084 4.256 4.340 0.000 0.000 0.208 72 L C 2.847 179.827 176.870 0.184 0.000 1.077 72 L CA 1.671 56.604 54.840 0.154 0.000 0.747 72 L CB -0.393 41.746 42.059 0.135 0.000 0.896 72 L HN 0.306 nan 8.230 nan 0.000 0.432 73 V N -0.487 119.526 119.914 0.165 0.000 2.239 73 V HA -0.259 3.861 4.120 0.000 0.000 0.242 73 V C 2.475 178.801 176.094 0.387 0.000 1.038 73 V CA 2.090 64.528 62.300 0.230 0.000 1.002 73 V CB -0.767 31.161 31.823 0.175 0.000 0.641 73 V HN 0.391 nan 8.190 nan 0.000 0.449 74 K N 0.584 121.147 120.400 0.272 0.000 2.147 74 K HA -0.074 4.246 4.320 0.000 0.000 0.205 74 K C 2.227 178.963 176.600 0.227 0.000 1.049 74 K CA 1.327 57.767 56.287 0.255 0.000 0.936 74 K CB -0.636 31.946 32.500 0.136 0.000 0.722 74 K HN 0.555 nan 8.250 nan 0.000 0.446 75 G N 1.041 109.958 108.800 0.195 0.000 2.422 75 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 75 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 75 G C 1.328 176.287 174.900 0.098 0.000 1.146 75 G CA 0.424 45.613 45.100 0.148 0.000 0.769 75 G HN 0.290 nan 8.290 nan 0.000 0.547 76 F N 0.667 120.620 119.950 0.005 0.000 2.102 76 F HA 0.034 4.561 4.527 0.000 0.000 0.298 76 F C 2.154 177.820 175.800 -0.225 0.000 1.105 76 F CA 1.386 59.301 58.000 -0.142 0.000 1.239 76 F CB -0.122 38.752 39.000 -0.209 0.000 0.991 76 F HN 0.112 nan 8.300 nan 0.000 0.474 77 F N 0.609 120.587 119.950 0.046 0.000 2.367 77 F HA -0.059 4.469 4.527 0.000 0.000 0.298 77 F C 2.432 178.164 175.800 -0.113 0.000 1.094 77 F CA 1.091 59.060 58.000 -0.051 0.000 1.409 77 F CB -0.710 38.350 39.000 0.099 0.000 1.064 77 F HN 0.012 nan 8.300 nan 0.000 0.528 78 Q N -0.643 119.155 119.800 -0.003 0.000 2.172 78 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 78 Q C 2.293 178.071 176.000 -0.370 0.000 0.964 78 Q CA 1.399 57.104 55.803 -0.164 0.000 0.855 78 Q CB -0.283 28.303 28.738 -0.252 0.000 0.918 78 Q HN 0.207 nan 8.270 nan 0.000 0.444 79 S N 0.713 116.133 115.700 -0.467 0.000 2.442 79 S HA -0.057 4.413 4.470 0.000 0.000 0.236 79 S C 1.627 176.329 174.600 0.169 0.000 1.007 79 S CA 0.820 58.923 58.200 -0.162 0.000 0.965 79 S CB -0.017 63.094 63.200 -0.147 0.000 0.773 79 S HN 0.313 nan 8.310 nan 0.000 0.504 80 L N -0.796 120.440 121.223 0.022 0.000 2.509 80 L HA 0.186 4.526 4.340 0.000 0.000 0.222 80 L C 0.654 177.849 176.870 0.540 0.000 1.123 80 L CA 0.039 54.974 54.840 0.158 0.000 0.856 80 L CB 0.062 42.063 42.059 -0.097 0.000 0.985 80 L HN 0.382 nan 8.230 nan 0.000 0.456 81 W N 3.091 124.549 121.300 0.263 0.000 2.520 81 W HA 0.317 4.977 4.660 0.000 0.000 0.323 81 W C -2.351 174.192 176.519 0.040 0.000 1.062 81 W CA -1.943 55.530 57.345 0.212 0.000 1.215 81 W CB 2.083 31.604 29.460 0.101 0.000 1.340 81 W HN -0.252 nan 8.180 nan 0.000 0.516 82 P HA 0.076 nan 4.420 nan 0.000 0.271 82 P C -0.627 176.511 177.300 -0.269 0.000 1.216 82 P CA 0.212 62.845 63.100 -0.779 0.000 0.771 82 P CB 1.465 32.696 31.700 -0.783 0.000 0.864 83 S N 1.079 116.644 115.700 -0.226 0.000 2.638 83 S HA 0.621 5.091 4.470 0.000 0.000 0.298 83 S C 0.157 174.688 174.600 -0.115 0.000 1.111 83 S CA -0.593 57.563 58.200 -0.073 0.000 1.027 83 S CB 1.375 64.567 63.200 -0.013 0.000 1.064 83 S HN 0.641 nan 8.310 nan 0.000 0.525 84 A N 1.298 124.082 122.820 -0.061 0.000 2.445 84 A HA 0.313 4.633 4.320 0.000 0.000 0.242 84 A C 1.377 178.921 177.584 -0.068 0.000 1.075 84 A CA -0.438 51.562 52.037 -0.062 0.000 0.777 84 A CB -0.127 18.852 19.000 -0.034 0.000 1.013 84 A HN 0.691 nan 8.150 nan 0.000 0.493 85 V N 1.832 121.704 119.914 -0.071 0.000 2.324 85 V HA -0.319 3.801 4.120 0.000 0.000 0.250 85 V C 2.524 178.585 176.094 -0.055 0.000 1.060 85 V CA 2.669 64.928 62.300 -0.070 0.000 1.042 85 V CB -1.153 30.629 31.823 -0.069 0.000 0.650 85 V HN 1.106 nan 8.190 nan 0.000 0.450 86 E N 0.165 120.339 120.200 -0.044 0.000 2.267 86 E HA -0.232 4.118 4.350 0.000 0.000 0.197 86 E C 1.347 177.928 176.600 -0.032 0.000 0.998 86 E CA 1.554 57.934 56.400 -0.034 0.000 0.830 86 E CB -0.313 29.372 29.700 -0.026 0.000 0.751 86 E HN 0.589 nan 8.360 nan 0.000 0.491 87 N N -0.181 118.498 118.700 -0.035 0.000 2.236 87 N HA 0.063 4.803 4.740 0.000 0.000 0.196 87 N C -0.947 174.529 175.510 -0.056 0.000 1.114 87 N CA 0.053 53.084 53.050 -0.032 0.000 0.859 87 N CB 0.860 39.339 38.487 -0.013 0.000 0.982 87 N HN 0.127 nan 8.380 nan 0.000 0.493 88 c N 1.802 120.361 118.600 -0.069 0.000 2.321 88 c HA 0.397 4.967 4.570 0.000 0.000 0.323 88 c C 0.036 174.079 174.090 -0.078 0.000 1.191 88 c CA -0.383 55.888 56.329 -0.096 0.000 1.455 88 c CB -1.030 41.421 42.510 -0.097 0.000 2.083 88 c HN 0.161 nan 8.230 nan 0.000 0.442 89 T N 8.730 123.237 114.554 -0.078 0.000 2.737 89 T HA 0.243 4.593 4.350 0.000 0.000 0.296 89 T C -2.478 172.195 174.700 -0.045 0.000 0.922 89 T CA -0.323 61.745 62.100 -0.054 0.000 1.079 89 T CB 0.652 69.495 68.868 -0.042 0.000 0.892 89 T HN 0.548 nan 8.240 nan 0.000 0.514 90 P HA 0.088 nan 4.420 nan 0.000 0.263 90 P C -0.259 177.046 177.300 0.007 0.000 1.195 90 P CA -0.179 62.908 63.100 -0.022 0.000 0.762 90 P CB 0.275 31.950 31.700 -0.042 0.000 0.799 91 N N 2.629 121.354 118.700 0.043 0.000 2.699 91 N HA 0.216 4.956 4.740 0.000 0.000 0.232 91 N C 1.388 176.973 175.510 0.125 0.000 1.027 91 N CA -0.324 52.776 53.050 0.084 0.000 0.920 91 N CB 0.058 38.607 38.487 0.103 0.000 1.148 91 N HN 0.346 nan 8.380 nan 0.000 0.509 92 G N 1.120 109.984 108.800 0.108 0.000 2.443 92 G HA2 -0.263 3.698 3.960 0.000 0.000 0.219 92 G HA3 -0.263 3.698 3.960 0.000 0.000 0.219 92 G C 1.240 176.256 174.900 0.194 0.000 1.131 92 G CA 0.699 45.878 45.100 0.131 0.000 0.775 92 G HN 0.736 nan 8.290 nan 0.000 0.547 93 H N -0.116 119.010 119.070 0.093 0.000 2.353 93 H HA -0.019 4.537 4.556 0.000 0.000 0.300 93 H C 2.318 177.696 175.328 0.084 0.000 1.090 93 H CA 1.445 57.541 56.048 0.079 0.000 1.327 93 H CB -0.128 29.661 29.762 0.045 0.000 1.383 93 H HN 0.227 nan 8.280 nan 0.000 0.508 94 L N 0.027 121.326 121.223 0.125 0.000 2.046 94 L HA -0.172 4.168 4.340 0.000 0.000 0.208 94 L C 2.380 179.267 176.870 0.028 0.000 1.077 94 L CA 1.896 56.773 54.840 0.062 0.000 0.747 94 L CB -1.049 41.103 42.059 0.155 0.000 0.896 94 L HN 0.548 nan 8.230 nan 0.000 0.432 95 W N 0.580 121.860 121.300 -0.034 0.000 2.333 95 W HA -0.295 4.365 4.660 0.000 0.000 0.316 95 W C 2.143 178.640 176.519 -0.036 0.000 1.215 95 W CA 1.956 59.283 57.345 -0.029 0.000 1.278 95 W CB -0.407 29.055 29.460 0.004 0.000 1.154 95 W HN 0.341 nan 8.180 nan 0.000 0.486 96 N N 0.548 119.291 118.700 0.072 0.000 2.149 96 N HA -0.170 4.570 4.740 0.000 0.000 0.188 96 N C 1.697 177.098 175.510 -0.182 0.000 1.019 96 N CA 1.995 55.030 53.050 -0.026 0.000 0.857 96 N CB -1.003 37.490 38.487 0.009 0.000 0.997 96 N HN 0.086 nan 8.380 nan 0.000 0.426 97 V N 1.268 121.009 119.914 -0.288 0.000 2.323 97 V HA -0.144 3.976 4.120 0.000 0.000 0.244 97 V C 2.333 178.277 176.094 -0.250 0.000 1.041 97 V CA 1.136 63.268 62.300 -0.280 0.000 1.025 97 V CB -0.359 31.265 31.823 -0.333 0.000 0.656 97 V HN 0.206 nan 8.190 nan 0.000 0.451 98 M N -0.837 118.563 119.600 -0.333 0.000 2.108 98 M HA -0.163 4.317 4.480 0.000 0.000 0.261 98 M C 2.185 178.344 176.300 -0.234 0.000 1.066 98 M CA 1.937 56.998 55.300 -0.400 0.000 1.107 98 M CB -1.196 31.127 32.600 -0.461 0.000 1.356 98 M HN 0.271 nan 8.290 nan 0.000 0.406 99 I N 0.193 120.564 120.570 -0.331 0.000 2.202 99 I HA -0.203 3.967 4.170 0.000 0.000 0.242 99 I C 2.347 178.503 176.117 0.065 0.000 1.091 99 I CA 1.478 62.685 61.300 -0.155 0.000 1.368 99 I CB -0.617 37.228 38.000 -0.258 0.000 1.058 99 I HN 0.286 nan 8.210 nan 0.000 0.410 100 T N -0.142 114.431 114.554 0.033 0.000 2.708 100 T HA -0.122 4.228 4.350 0.000 0.000 0.266 100 T C 1.935 176.733 174.700 0.162 0.000 1.037 100 T CA 1.439 63.604 62.100 0.108 0.000 1.146 100 T CB -0.988 67.909 68.868 0.049 0.000 0.865 100 T HN 0.522 nan 8.240 nan 0.000 0.435 101 G N 0.858 109.749 108.800 0.152 0.000 2.459 101 G HA2 -0.328 3.632 3.960 0.000 0.000 0.217 101 G HA3 -0.328 3.632 3.960 0.000 0.000 0.217 101 G C 1.295 176.424 174.900 0.382 0.000 1.183 101 G CA 1.489 46.766 45.100 0.294 0.000 0.776 101 G HN 0.627 nan 8.290 nan 0.000 0.552 102 H N 0.898 120.161 119.070 0.321 0.000 2.289 102 H HA -0.054 4.502 4.556 0.000 0.000 0.296 102 H C 2.662 178.038 175.328 0.080 0.000 1.091 102 H CA 2.473 58.646 56.048 0.208 0.000 1.274 102 H CB -0.817 29.045 29.762 0.167 0.000 1.364 102 H HN 0.224 nan 8.280 nan 0.000 0.490 103 G N 0.527 109.229 108.800 -0.164 0.000 2.433 103 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 103 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 103 G C 1.968 176.753 174.900 -0.191 0.000 1.186 103 G CA 1.127 46.019 45.100 -0.347 0.000 0.779 103 G HN 0.495 nan 8.290 nan 0.000 0.543 104 I N 0.446 121.107 120.570 0.152 0.000 2.179 104 I HA -0.147 4.023 4.170 0.000 0.000 0.242 104 I C 2.771 179.096 176.117 0.345 0.000 1.088 104 I CA 0.689 62.204 61.300 0.359 0.000 1.357 104 I CB -0.227 38.019 38.000 0.409 0.000 1.051 104 I HN 0.136 nan 8.210 nan 0.000 0.409 105 L N -0.480 120.912 121.223 0.282 0.000 2.042 105 L HA -0.254 4.086 4.340 0.000 0.000 0.210 105 L C 2.720 179.671 176.870 0.135 0.000 1.076 105 L CA 1.191 56.222 54.840 0.319 0.000 0.749 105 L CB -0.479 41.670 42.059 0.150 0.000 0.893 105 L HN 0.301 nan 8.230 nan 0.000 0.432 106 M N -1.166 118.371 119.600 -0.105 0.000 2.099 106 M HA -0.160 4.320 4.480 0.000 0.000 0.262 106 M C 2.284 178.396 176.300 -0.313 0.000 1.067 106 M CA 1.749 56.910 55.300 -0.231 0.000 1.124 106 M CB -0.751 31.600 32.600 -0.415 0.000 1.353 106 M HN 0.239 nan 8.290 nan 0.000 0.410 107 M N -1.611 117.704 119.600 -0.476 0.000 2.349 107 M HA -0.025 4.456 4.480 0.000 0.000 0.266 107 M C 1.771 177.618 176.300 -0.755 0.000 1.076 107 M CA 1.327 56.184 55.300 -0.738 0.000 1.126 107 M CB -0.954 30.925 32.600 -1.202 0.000 1.392 107 M HN 0.119 nan 8.290 nan 0.000 0.440 108 F N -1.988 117.764 119.950 -0.331 0.000 2.653 108 F HA 0.139 4.666 4.527 0.000 0.000 0.288 108 F C 1.155 176.559 175.800 -0.661 0.000 1.121 108 F CA 0.304 57.936 58.000 -0.613 0.000 1.384 108 F CB 0.144 38.538 39.000 -1.011 0.000 1.115 108 F HN -0.087 nan 8.300 nan 0.000 0.599 109 F N -1.978 118.117 119.950 0.241 0.000 2.781 109 F HA 0.305 4.832 4.527 0.000 0.000 0.322 109 F C 1.004 176.962 175.800 0.264 0.000 1.108 109 F CA -0.222 57.987 58.000 0.349 0.000 1.179 109 F CB -0.177 39.027 39.000 0.339 0.000 1.072 109 F HN -0.294 nan 8.300 nan 0.000 0.545 110 V N -1.063 118.970 119.914 0.198 0.000 3.444 110 V HA -0.008 4.112 4.120 0.000 0.000 0.210 110 V C 2.025 178.131 176.094 0.020 0.000 1.217 110 V CA 0.938 63.312 62.300 0.123 0.000 1.302 110 V CB -0.154 31.703 31.823 0.056 0.000 1.341 110 V HN -0.029 nan 8.190 nan 0.000 0.522 111 V N -0.847 119.027 119.914 -0.067 0.000 2.488 111 V HA -0.048 4.072 4.120 0.000 0.000 0.246 111 V C 2.122 178.173 176.094 -0.072 0.000 1.046 111 V CA 1.750 63.997 62.300 -0.087 0.000 1.053 111 V CB -0.734 31.004 31.823 -0.141 0.000 0.679 111 V HN 0.461 nan 8.190 nan 0.000 0.458 112 I N 0.588 121.093 120.570 -0.109 0.000 2.233 112 I HA -0.039 4.131 4.170 0.000 0.000 0.243 112 I C 0.014 176.100 176.117 -0.050 0.000 1.093 112 I CA 1.353 62.600 61.300 -0.088 0.000 1.380 112 I CB -1.555 36.346 38.000 -0.165 0.000 1.067 112 I HN 0.320 nan 8.210 nan 0.000 0.413 113 P HA -0.190 nan 4.420 nan 0.000 0.216 113 P C 1.454 178.718 177.300 -0.060 0.000 1.150 113 P CA 1.867 64.867 63.100 -0.166 0.000 0.837 113 P CB -0.009 31.453 31.700 -0.397 0.000 0.786 114 A N -1.074 121.737 122.820 -0.014 0.000 1.873 114 A HA -0.118 4.202 4.320 0.000 0.000 0.215 114 A C 2.210 179.773 177.584 -0.035 0.000 1.186 114 A CA 1.364 53.376 52.037 -0.042 0.000 0.616 114 A CB -1.506 17.475 19.000 -0.031 0.000 0.823 114 A HN 0.106 nan 8.150 nan 0.000 0.442 115 L N -2.739 118.539 121.223 0.093 0.000 2.068 115 L HA 0.005 4.345 4.340 0.000 0.000 0.204 115 L C 2.419 179.480 176.870 0.318 0.000 1.076 115 L CA 1.373 56.382 54.840 0.282 0.000 0.753 115 L CB -0.341 41.854 42.059 0.228 0.000 0.910 115 L HN 0.507 nan 8.230 nan 0.000 0.439 116 F N 0.014 119.966 119.950 0.003 0.000 2.243 116 F HA 0.133 4.660 4.527 0.000 0.000 0.287 116 F C 2.214 177.904 175.800 -0.182 0.000 1.067 116 F CA 1.177 59.145 58.000 -0.054 0.000 1.304 116 F CB -0.498 38.440 39.000 -0.104 0.000 1.087 116 F HN -0.074 nan 8.300 nan 0.000 0.513 117 G N -0.344 108.264 108.800 -0.321 0.000 2.422 117 G HA2 -0.049 3.911 3.960 0.000 0.000 0.218 117 G HA3 -0.049 3.911 3.960 0.000 0.000 0.218 117 G C 1.649 176.210 174.900 -0.564 0.000 1.140 117 G CA 0.738 45.221 45.100 -1.029 0.000 0.775 117 G HN 0.613 nan 8.290 nan 0.000 0.545 118 G N 0.404 109.069 108.800 -0.225 0.000 2.670 118 G HA2 0.151 4.112 3.960 0.000 0.000 0.219 118 G HA3 0.151 4.112 3.960 0.000 0.000 0.219 118 G C 1.370 176.232 174.900 -0.064 0.000 1.342 118 G CA 0.332 45.346 45.100 -0.143 0.000 0.902 118 G HN 0.169 nan 8.290 nan 0.000 0.553 119 F N 2.122 122.167 119.950 0.159 0.000 2.216 119 F HA 0.078 4.605 4.527 0.000 0.000 0.300 119 F C 2.852 178.872 175.800 0.367 0.000 1.085 119 F CA 0.675 58.821 58.000 0.243 0.000 1.326 119 F CB -0.833 38.329 39.000 0.270 0.000 1.027 119 F HN 0.217 nan 8.300 nan 0.000 0.497 120 G N 0.083 109.163 108.800 0.466 0.000 2.453 120 G HA2 -0.274 3.686 3.960 0.000 0.000 0.215 120 G HA3 -0.274 3.686 3.960 0.000 0.000 0.215 120 G C 1.769 176.690 174.900 0.035 0.000 1.201 120 G CA 0.924 46.142 45.100 0.197 0.000 0.784 120 G HN 0.240 nan 8.290 nan 0.000 0.545 121 N N -0.477 118.172 118.700 -0.084 0.000 2.104 121 N HA -0.126 4.614 4.740 0.000 0.000 0.190 121 N C 1.885 177.438 175.510 0.072 0.000 1.024 121 N CA 1.122 54.144 53.050 -0.047 0.000 0.853 121 N CB -0.361 38.096 38.487 -0.049 0.000 1.008 121 N HN 0.417 nan 8.380 nan 0.000 0.424 122 Y N -0.021 120.224 120.300 -0.092 0.000 2.133 122 Y HA -0.100 4.450 4.550 0.000 0.000 0.287 122 Y C 1.766 177.386 175.900 -0.467 0.000 1.134 122 Y CA 1.585 59.479 58.100 -0.344 0.000 1.133 122 Y CB -0.360 37.723 38.460 -0.629 0.000 0.987 122 Y HN -0.076 nan 8.280 nan 0.000 0.502 123 F N -2.056 117.918 119.950 0.039 0.000 2.582 123 F HA -0.041 4.486 4.527 0.000 0.000 0.290 123 F C 2.355 177.969 175.800 -0.310 0.000 1.115 123 F CA 0.453 58.252 58.000 -0.336 0.000 1.445 123 F CB -0.473 37.951 39.000 -0.960 0.000 1.126 123 F HN 0.007 nan 8.300 nan 0.000 0.574 124 M N 1.469 121.176 119.600 0.180 0.000 2.082 124 M HA -0.138 4.342 4.480 0.000 0.000 0.258 124 M C -0.984 175.319 176.300 0.004 0.000 1.069 124 M CA 2.347 57.746 55.300 0.165 0.000 1.102 124 M CB -1.697 30.972 32.600 0.115 0.000 1.336 124 M HN -0.076 nan 8.290 nan 0.000 0.404 125 P HA -0.107 nan 4.420 nan 0.000 0.216 125 P C 1.835 179.044 177.300 -0.151 0.000 1.153 125 P CA 1.232 64.164 63.100 -0.280 0.000 0.848 125 P CB -0.257 31.015 31.700 -0.713 0.000 0.787 126 L N -1.456 119.751 121.223 -0.028 0.000 2.012 126 L HA -0.239 4.101 4.340 0.000 0.000 0.210 126 L C 2.529 179.500 176.870 0.169 0.000 1.073 126 L CA 1.838 56.793 54.840 0.193 0.000 0.748 126 L CB -1.365 40.779 42.059 0.142 0.000 0.891 126 L HN 0.163 nan 8.230 nan 0.000 0.431 127 H N -0.004 119.166 119.070 0.166 0.000 2.422 127 H HA -0.134 4.422 4.556 0.000 0.000 0.298 127 H C 2.104 177.430 175.328 -0.003 0.000 1.098 127 H CA 1.454 57.610 56.048 0.180 0.000 1.315 127 H CB 0.017 29.986 29.762 0.346 0.000 1.382 127 H HN 0.486 nan 8.280 nan 0.000 0.523 128 I N -3.350 117.206 120.570 -0.023 0.000 3.883 128 I HA 0.366 4.537 4.170 0.000 0.000 0.326 128 I C 1.212 177.090 176.117 -0.397 0.000 1.283 128 I CA 0.456 61.621 61.300 -0.224 0.000 1.161 128 I CB 0.647 38.452 38.000 -0.325 0.000 1.012 128 I HN 0.185 nan 8.210 nan 0.000 0.421 129 G N 1.919 110.332 108.800 -0.645 0.000 2.198 129 G HA2 -0.184 3.776 3.960 0.000 0.000 0.257 129 G HA3 -0.184 3.776 3.960 0.000 0.000 0.257 129 G C 0.229 174.606 174.900 -0.873 0.000 1.042 129 G CA 0.083 44.376 45.100 -1.345 0.000 0.791 129 G HN 0.940 nan 8.290 nan 0.000 0.502 130 A N 0.332 122.858 122.820 -0.490 0.000 2.309 130 A HA 0.835 5.155 4.320 0.000 0.000 0.298 130 A C -0.090 177.471 177.584 -0.038 0.000 1.165 130 A CA -0.898 50.996 52.037 -0.238 0.000 0.821 130 A CB 1.171 20.024 19.000 -0.245 0.000 1.102 130 A HN 0.094 nan 8.150 nan 0.000 0.500 131 P HA -0.072 nan 4.420 nan 0.000 0.217 131 P C 0.084 177.400 177.300 0.026 0.000 1.150 131 P CA 1.403 64.576 63.100 0.122 0.000 0.832 131 P CB 0.294 32.045 31.700 0.086 0.000 0.787 132 D N -3.236 117.108 120.400 -0.092 0.000 2.768 132 D HA 0.255 4.895 4.640 0.000 0.000 0.327 132 D C -0.334 175.831 176.300 -0.224 0.000 1.302 132 D CA -0.620 53.297 54.000 -0.138 0.000 0.897 132 D CB 0.791 41.594 40.800 0.005 0.000 1.420 132 D HN -0.342 nan 8.370 nan 0.000 0.494 133 M N 0.996 120.490 119.600 -0.176 0.000 2.232 133 M HA 0.283 4.763 4.480 0.000 0.000 0.321 133 M C 1.340 177.527 176.300 -0.187 0.000 1.101 133 M CA -0.004 55.204 55.300 -0.154 0.000 1.181 133 M CB 0.281 32.843 32.600 -0.065 0.000 1.432 133 M HN 0.595 nan 8.290 nan 0.000 0.457 134 A N 1.881 124.510 122.820 -0.319 0.000 1.933 134 A HA -0.074 4.246 4.320 0.000 0.000 0.218 134 A C 0.470 177.621 177.584 -0.722 0.000 1.175 134 A CA 1.544 53.200 52.037 -0.635 0.000 0.628 134 A CB -0.309 18.080 19.000 -1.018 0.000 0.814 134 A HN 0.606 nan 8.150 nan 0.000 0.444 135 F N -1.621 118.343 119.950 0.023 0.000 2.564 135 F HA 0.383 4.910 4.527 0.000 0.000 0.361 135 F C -2.199 173.631 175.800 0.049 0.000 1.161 135 F CA -2.473 55.549 58.000 0.037 0.000 1.198 135 F CB 1.147 40.173 39.000 0.043 0.000 1.424 135 F HN -0.021 nan 8.300 nan 0.000 0.517 136 P HA -0.119 nan 4.420 nan 0.000 0.218 136 P C 1.644 179.035 177.300 0.153 0.000 1.148 136 P CA 1.539 64.714 63.100 0.125 0.000 0.822 136 P CB 0.264 32.012 31.700 0.080 0.000 0.784 137 R N -1.307 119.292 120.500 0.165 0.000 2.090 137 R HA 0.016 4.356 4.340 0.000 0.000 0.228 137 R C 2.395 178.803 176.300 0.180 0.000 1.110 137 R CA 1.145 57.340 56.100 0.159 0.000 0.973 137 R CB -0.738 29.641 30.300 0.131 0.000 0.869 137 R HN 0.214 nan 8.270 nan 0.000 0.440 138 M N 0.929 120.642 119.600 0.188 0.000 2.159 138 M HA -0.210 4.270 4.480 0.000 0.000 0.263 138 M C 1.779 178.208 176.300 0.214 0.000 1.063 138 M CA 1.646 57.054 55.300 0.180 0.000 1.110 138 M CB -0.139 32.560 32.600 0.164 0.000 1.374 138 M HN 0.035 nan 8.290 nan 0.000 0.411 139 N N 0.912 119.743 118.700 0.218 0.000 2.084 139 N HA -0.210 4.530 4.740 0.000 0.000 0.190 139 N C 1.336 177.004 175.510 0.263 0.000 1.030 139 N CA 1.993 55.176 53.050 0.222 0.000 0.849 139 N CB -0.557 38.033 38.487 0.172 0.000 1.012 139 N HN 0.491 nan 8.380 nan 0.000 0.423 140 N N -0.316 118.529 118.700 0.242 0.000 2.104 140 N HA -0.157 4.583 4.740 0.000 0.000 0.190 140 N C 1.690 177.443 175.510 0.404 0.000 1.024 140 N CA 1.091 54.317 53.050 0.294 0.000 0.853 140 N CB -0.335 38.324 38.487 0.288 0.000 1.008 140 N HN 0.212 nan 8.380 nan 0.000 0.424 141 L N 0.578 122.011 121.223 0.350 0.000 2.046 141 L HA -0.116 4.225 4.340 0.000 0.000 0.208 141 L C 2.340 179.413 176.870 0.339 0.000 1.077 141 L CA 2.161 57.212 54.840 0.351 0.000 0.747 141 L CB -1.198 41.003 42.059 0.236 0.000 0.896 141 L HN 0.408 nan 8.230 nan 0.000 0.432 142 S N -1.461 114.431 115.700 0.320 0.000 2.383 142 S HA -0.327 4.143 4.470 0.000 0.000 0.229 142 S C 2.161 176.999 174.600 0.397 0.000 1.030 142 S CA 1.444 59.856 58.200 0.354 0.000 1.002 142 S CB -1.300 62.119 63.200 0.366 0.000 0.829 142 S HN 0.628 nan 8.310 nan 0.000 0.467 143 Y N 0.774 121.182 120.300 0.180 0.000 2.200 143 Y HA -0.015 4.535 4.550 0.000 0.000 0.290 143 Y C 1.899 177.703 175.900 -0.160 0.000 1.137 143 Y CA 1.255 59.240 58.100 -0.192 0.000 1.163 143 Y CB -0.676 37.491 38.460 -0.488 0.000 0.988 143 Y HN 0.312 nan 8.280 nan 0.000 0.518 144 W N 0.130 121.474 121.300 0.074 0.000 2.402 144 W HA -0.123 4.537 4.660 0.000 0.000 0.286 144 W C 2.144 178.641 176.519 -0.036 0.000 1.221 144 W CA 0.981 58.311 57.345 -0.025 0.000 1.257 144 W CB -0.285 29.235 29.460 0.099 0.000 1.120 144 W HN 0.054 nan 8.180 nan 0.000 0.551 145 L N -1.020 120.357 121.223 0.256 0.000 2.093 145 L HA -0.251 4.089 4.340 0.000 0.000 0.208 145 L C 2.400 179.408 176.870 0.230 0.000 1.085 145 L CA 1.137 56.113 54.840 0.226 0.000 0.755 145 L CB -1.110 41.092 42.059 0.238 0.000 0.904 145 L HN 0.060 nan 8.230 nan 0.000 0.435 146 Y N 0.532 120.875 120.300 0.072 0.000 2.128 146 Y HA -0.239 4.311 4.550 0.000 0.000 0.284 146 Y C 2.331 178.208 175.900 -0.039 0.000 1.154 146 Y CA 1.574 59.728 58.100 0.089 0.000 1.149 146 Y CB -0.676 37.804 38.460 0.035 0.000 0.976 146 Y HN -0.140 nan 8.280 nan 0.000 0.505 147 V N 0.737 120.314 119.914 -0.562 0.000 2.427 147 V HA -0.272 3.848 4.120 0.000 0.000 0.248 147 V C 2.743 178.697 176.094 -0.233 0.000 1.051 147 V CA 1.683 63.635 62.300 -0.580 0.000 1.048 147 V CB -1.573 29.934 31.823 -0.527 0.000 0.666 147 V HN 0.583 nan 8.190 nan 0.000 0.456 148 A N 0.528 123.319 122.820 -0.049 0.000 1.858 148 A HA -0.108 4.212 4.320 0.000 0.000 0.216 148 A C 2.458 180.031 177.584 -0.019 0.000 1.190 148 A CA 2.033 54.075 52.037 0.009 0.000 0.617 148 A CB -1.419 17.628 19.000 0.078 0.000 0.827 148 A HN 0.508 nan 8.150 nan 0.000 0.443 149 G N -0.909 107.924 108.800 0.055 0.000 2.491 149 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 149 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 149 G C 1.603 176.264 174.900 -0.397 0.000 1.180 149 G CA 1.863 47.030 45.100 0.111 0.000 0.774 149 G HN 0.442 nan 8.290 nan 0.000 0.562 150 T N 1.319 115.449 114.554 -0.707 0.000 2.684 150 T HA -0.150 4.200 4.350 0.000 0.000 0.267 150 T C 2.833 177.246 174.700 -0.478 0.000 1.036 150 T CA 1.671 63.181 62.100 -0.984 0.000 1.148 150 T CB -0.384 68.068 68.868 -0.693 0.000 0.863 150 T HN 0.285 nan 8.240 nan 0.000 0.436 151 S N 1.406 116.941 115.700 -0.276 0.000 2.359 151 S HA -0.016 4.454 4.470 0.000 0.000 0.224 151 S C 2.061 176.626 174.600 -0.058 0.000 1.035 151 S CA 0.995 59.120 58.200 -0.126 0.000 1.018 151 S CB -0.548 62.605 63.200 -0.079 0.000 0.876 151 S HN 0.365 nan 8.310 nan 0.000 0.448 152 L N 0.999 122.197 121.223 -0.042 0.000 2.083 152 L HA -0.141 4.199 4.340 0.000 0.000 0.209 152 L C 2.810 179.708 176.870 0.047 0.000 1.083 152 L CA 1.151 56.019 54.840 0.046 0.000 0.752 152 L CB -0.770 41.355 42.059 0.110 0.000 0.899 152 L HN 0.339 nan 8.230 nan 0.000 0.433 153 A N -0.214 122.575 122.820 -0.052 0.000 1.877 153 A HA -0.148 4.172 4.320 0.000 0.000 0.216 153 A C 2.313 179.925 177.584 0.046 0.000 1.186 153 A CA 1.798 53.831 52.037 -0.005 0.000 0.620 153 A CB -0.787 18.138 19.000 -0.125 0.000 0.822 153 A HN 0.196 nan 8.150 nan 0.000 0.443 154 V N -0.114 119.814 119.914 0.024 0.000 2.358 154 V HA -0.221 3.899 4.120 0.000 0.000 0.246 154 V C 3.050 179.294 176.094 0.250 0.000 1.047 154 V CA 1.791 64.178 62.300 0.145 0.000 1.035 154 V CB -1.298 30.604 31.823 0.132 0.000 0.658 154 V HN 0.618 nan 8.190 nan 0.000 0.452 155 A N 1.022 123.958 122.820 0.192 0.000 1.883 155 A HA -0.271 4.050 4.320 0.000 0.000 0.217 155 A C 2.588 180.305 177.584 0.222 0.000 1.186 155 A CA 2.572 54.751 52.037 0.238 0.000 0.624 155 A CB -0.976 18.119 19.000 0.158 0.000 0.822 155 A HN 0.712 nan 8.150 nan 0.000 0.444 156 S N 0.244 116.029 115.700 0.142 0.000 2.402 156 S HA -0.166 4.304 4.470 0.000 0.000 0.233 156 S C 1.814 176.418 174.600 0.007 0.000 1.030 156 S CA 1.607 59.857 58.200 0.083 0.000 1.003 156 S CB -0.885 62.362 63.200 0.079 0.000 0.813 156 S HN 0.486 nan 8.310 nan 0.000 0.477 157 L N -1.045 120.149 121.223 -0.047 0.000 2.191 157 L HA 0.024 4.364 4.340 0.000 0.000 0.212 157 L C 1.539 178.119 176.870 -0.484 0.000 1.103 157 L CA 1.221 55.876 54.840 -0.309 0.000 0.769 157 L CB -0.508 41.260 42.059 -0.485 0.000 0.908 157 L HN 0.330 nan 8.230 nan 0.000 0.438 158 F N -0.605 119.358 119.950 0.022 0.000 2.682 158 F HA 0.364 4.891 4.527 0.000 0.000 0.308 158 F C 1.169 176.961 175.800 -0.014 0.000 1.093 158 F CA -0.501 57.508 58.000 0.014 0.000 1.244 158 F CB -0.073 38.940 39.000 0.022 0.000 1.052 158 F HN -0.147 nan 8.300 nan 0.000 0.573 159 A N 0.619 123.473 122.820 0.056 0.000 2.279 159 A HA 0.597 4.917 4.320 0.000 0.000 0.303 159 A C -2.409 175.030 177.584 -0.242 0.000 1.108 159 A CA -1.706 50.252 52.037 -0.131 0.000 0.830 159 A CB -0.108 18.757 19.000 -0.225 0.000 1.106 159 A HN -0.122 nan 8.150 nan 0.000 0.493 160 P HA 0.201 nan 4.420 nan 0.000 0.260 160 P C 0.422 177.553 177.300 -0.282 0.000 1.185 160 P CA 1.021 63.942 63.100 -0.297 0.000 0.763 160 P CB 0.670 32.191 31.700 -0.298 0.000 0.776 161 G N 2.281 111.002 108.800 -0.131 0.000 3.247 161 G HA2 0.598 4.558 3.960 0.000 0.000 0.199 161 G HA3 0.598 4.558 3.960 0.000 0.000 0.199 161 G C -0.199 174.668 174.900 -0.056 0.000 1.172 161 G CA -0.473 44.595 45.100 -0.054 0.000 0.844 161 G HN 0.548 nan 8.290 nan 0.000 0.619 162 G N -0.644 108.170 108.800 0.024 0.000 2.544 162 G HA2 0.349 4.309 3.960 0.000 0.000 0.242 162 G HA3 0.349 4.309 3.960 0.000 0.000 0.242 162 G C 0.391 175.049 174.900 -0.403 0.000 1.247 162 G CA 0.502 45.565 45.100 -0.061 0.000 0.840 162 G HN 0.840 nan 8.290 nan 0.000 0.578 163 N N -0.245 118.323 118.700 -0.220 0.000 2.725 163 N HA -0.239 4.502 4.740 0.000 0.000 0.249 163 N C 1.420 176.809 175.510 -0.201 0.000 1.103 163 N CA 1.642 54.566 53.050 -0.209 0.000 0.707 163 N CB -1.226 37.122 38.487 -0.232 0.000 1.043 163 N HN 1.897 nan 8.380 nan 0.000 0.553 164 G N -0.616 108.091 108.800 -0.157 0.000 2.203 164 G HA2 -0.353 3.607 3.960 0.000 0.000 0.263 164 G HA3 -0.353 3.607 3.960 0.000 0.000 0.263 164 G C 0.156 174.983 174.900 -0.122 0.000 1.012 164 G CA 1.352 46.387 45.100 -0.109 0.000 0.749 164 G HN 0.630 nan 8.290 nan 0.000 0.512 165 Q N -1.478 118.193 119.800 -0.214 0.000 2.699 165 Q HA 0.788 5.128 4.340 0.000 0.000 0.240 165 Q C 0.498 176.453 176.000 -0.076 0.000 1.033 165 Q CA -1.100 54.618 55.803 -0.142 0.000 0.938 165 Q CB 1.085 29.722 28.738 -0.168 0.000 1.312 165 Q HN 0.288 nan 8.270 nan 0.000 0.507 166 L N 0.238 121.471 121.223 0.018 0.000 2.379 166 L HA 0.685 5.025 4.340 0.000 0.000 0.269 166 L C 0.395 177.332 176.870 0.112 0.000 1.084 166 L CA -0.355 54.499 54.840 0.025 0.000 0.802 166 L CB 0.997 43.063 42.059 0.012 0.000 1.175 166 L HN 0.858 nan 8.230 nan 0.000 0.448 167 G N 1.201 110.024 108.800 0.039 0.000 2.692 167 G HA2 -0.158 3.802 3.960 0.000 0.000 0.686 167 G HA3 -0.158 3.802 3.960 0.000 0.000 0.686 167 G C -0.680 174.264 174.900 0.073 0.000 1.243 167 G CA -0.899 44.207 45.100 0.010 0.000 0.782 167 G HN 0.506 nan 8.290 nan 0.000 0.625 168 S N 0.411 116.110 115.700 -0.002 0.000 2.430 168 S HA 0.579 5.049 4.470 0.000 0.000 0.289 168 S C 0.952 175.512 174.600 -0.066 0.000 1.143 168 S CA 0.313 58.520 58.200 0.012 0.000 1.067 168 S CB 1.541 64.750 63.200 0.015 0.000 0.964 168 S HN 1.731 nan 8.310 nan 0.000 0.485 169 G N 2.487 111.239 108.800 -0.081 0.000 4.126 169 G HA2 0.415 4.375 3.960 0.000 0.000 0.282 169 G HA3 0.415 4.375 3.960 0.000 0.000 0.282 169 G C 0.524 175.421 174.900 -0.006 0.000 1.221 169 G CA -0.515 44.504 45.100 -0.135 0.000 1.527 169 G HN 0.842 nan 8.290 nan 0.000 0.612 170 I N -2.135 118.438 120.570 0.006 0.000 4.240 170 I HA 0.535 4.705 4.170 0.000 0.000 0.331 170 I C 0.703 176.819 176.117 -0.002 0.000 1.381 170 I CA -0.132 61.176 61.300 0.014 0.000 1.136 170 I CB 0.395 38.398 38.000 0.005 0.000 1.137 170 I HN 0.343 nan 8.210 nan 0.000 0.411 171 G N 2.188 111.003 108.800 0.024 0.000 2.722 171 G HA2 -0.271 3.689 3.960 0.000 0.000 0.686 171 G HA3 -0.271 3.689 3.960 0.000 0.000 0.686 171 G C 0.018 174.948 174.900 0.050 0.000 1.282 171 G CA -0.067 45.054 45.100 0.035 0.000 0.817 171 G HN 0.635 nan 8.290 nan 0.000 0.605 172 W N 1.155 122.438 121.300 -0.027 0.000 2.468 172 W HA -0.004 4.656 4.660 0.000 0.000 0.262 172 W C 1.409 177.934 176.519 0.010 0.000 1.241 172 W CA 2.006 59.354 57.345 0.005 0.000 1.232 172 W CB -1.111 28.339 29.460 -0.015 0.000 1.124 172 W HN 1.129 nan 8.180 nan 0.000 0.597 173 V N -0.560 118.953 119.914 -0.668 0.000 3.647 173 V HA 0.194 4.314 4.120 0.000 0.000 0.279 173 V C 1.375 177.349 176.094 -0.200 0.000 1.314 173 V CA 0.144 62.000 62.300 -0.740 0.000 1.125 173 V CB -1.081 30.100 31.823 -1.070 0.000 0.907 173 V HN 0.210 nan 8.190 nan 0.000 0.434 174 L N -1.566 119.577 121.223 -0.134 0.000 3.634 174 L HA -0.207 4.133 4.340 0.000 0.000 0.423 174 L C -0.204 176.599 176.870 -0.111 0.000 1.253 174 L CA -0.007 54.784 54.840 -0.082 0.000 0.885 174 L CB -2.740 39.264 42.059 -0.092 0.000 1.789 174 L HN 0.329 nan 8.230 nan 0.000 0.904 175 Y N 1.644 121.821 120.300 -0.205 0.000 2.632 175 Y HA 0.217 4.767 4.550 0.000 0.000 0.329 175 Y C -1.136 174.571 175.900 -0.322 0.000 1.174 175 Y CA -2.146 55.803 58.100 -0.251 0.000 1.469 175 Y CB 0.067 38.497 38.460 -0.050 0.000 1.242 175 Y HN 0.114 nan 8.280 nan 0.000 0.540 176 P HA 0.244 nan 4.420 nan 0.000 0.280 176 P C -2.340 174.923 177.300 -0.062 0.000 1.272 176 P CA -2.049 60.932 63.100 -0.198 0.000 0.819 176 P CB 1.274 32.823 31.700 -0.251 0.000 1.122 177 P HA -0.012 nan 4.420 nan 0.000 0.234 177 P C 1.565 178.878 177.300 0.022 0.000 1.167 177 P CA 0.241 63.359 63.100 0.030 0.000 0.763 177 P CB -0.158 31.574 31.700 0.052 0.000 0.835 178 L N 0.805 122.046 121.223 0.031 0.000 1.989 178 L HA -0.225 4.115 4.340 0.000 0.000 0.211 178 L C 2.309 179.186 176.870 0.012 0.000 1.071 178 L CA 2.564 57.425 54.840 0.036 0.000 0.749 178 L CB -1.374 40.721 42.059 0.059 0.000 0.890 178 L HN 0.036 nan 8.230 nan 0.000 0.431 179 S N -2.180 113.505 115.700 -0.025 0.000 2.399 179 S HA -0.184 4.286 4.470 0.000 0.000 0.231 179 S C 1.871 176.450 174.600 -0.035 0.000 1.022 179 S CA 1.373 59.543 58.200 -0.050 0.000 0.983 179 S CB -1.453 61.671 63.200 -0.126 0.000 0.803 179 S HN 0.685 nan 8.310 nan 0.000 0.480 180 T N 0.029 114.569 114.554 -0.025 0.000 3.067 180 T HA 0.092 4.443 4.350 0.000 0.000 0.261 180 T C 1.855 176.564 174.700 0.015 0.000 1.110 180 T CA 0.892 62.997 62.100 0.008 0.000 1.113 180 T CB -0.443 68.455 68.868 0.050 0.000 0.917 180 T HN 0.617 nan 8.240 nan 0.000 0.499 181 S N 0.083 115.792 115.700 0.016 0.000 2.517 181 S HA 0.195 4.665 4.470 0.000 0.000 0.214 181 S C 0.520 175.131 174.600 0.018 0.000 0.991 181 S CA -0.433 57.778 58.200 0.019 0.000 0.906 181 S CB -0.328 62.886 63.200 0.024 0.000 0.789 181 S HN 0.540 nan 8.310 nan 0.000 0.513 182 E N 3.583 123.795 120.200 0.021 0.000 2.480 182 E HA 0.171 4.521 4.350 0.000 0.000 0.258 182 E C 0.325 176.935 176.600 0.018 0.000 0.984 182 E CA 0.040 56.456 56.400 0.028 0.000 0.930 182 E CB 0.413 30.135 29.700 0.037 0.000 0.936 182 E HN 0.514 nan 8.360 nan 0.000 0.466 183 S N 3.382 119.087 115.700 0.008 0.000 2.624 183 S HA 0.704 5.174 4.470 0.000 0.000 0.263 183 S C 0.835 175.430 174.600 -0.009 0.000 1.287 183 S CA -0.310 57.890 58.200 -0.000 0.000 0.990 183 S CB 1.122 64.315 63.200 -0.012 0.000 0.950 183 S HN 1.182 nan 8.310 nan 0.000 0.561 184 G N 0.693 109.494 108.800 0.002 0.000 2.681 184 G HA2 -0.192 3.768 3.960 0.000 0.000 0.220 184 G HA3 -0.192 3.768 3.960 0.000 0.000 0.220 184 G C -0.216 174.714 174.900 0.050 0.000 1.353 184 G CA 0.273 45.358 45.100 -0.024 0.000 0.872 184 G HN 1.997 nan 8.290 nan 0.000 0.557 185 Y N -2.473 117.846 120.300 0.031 0.000 2.588 185 Y HA 0.641 5.191 4.550 0.000 0.000 0.247 185 Y C 2.283 178.213 175.900 0.051 0.000 1.157 185 Y CA 0.851 58.973 58.100 0.036 0.000 1.215 185 Y CB -0.171 38.319 38.460 0.050 0.000 1.245 185 Y HN 0.799 nan 8.280 nan 0.000 0.534 186 S N 0.869 116.479 115.700 -0.150 0.000 2.374 186 S HA -0.232 4.238 4.470 0.000 0.000 0.227 186 S C 1.824 176.444 174.600 0.033 0.000 1.037 186 S CA 2.568 60.734 58.200 -0.057 0.000 1.024 186 S CB -0.593 62.560 63.200 -0.079 0.000 0.861 186 S HN 0.670 nan 8.310 nan 0.000 0.456 187 T N 1.950 116.518 114.554 0.023 0.000 2.821 187 T HA -0.074 4.276 4.350 0.000 0.000 0.267 187 T C 1.390 176.079 174.700 -0.017 0.000 1.046 187 T CA 1.411 63.516 62.100 0.007 0.000 1.139 187 T CB -0.461 68.405 68.868 -0.002 0.000 0.871 187 T HN 0.543 nan 8.240 nan 0.000 0.454 188 D N 1.225 121.632 120.400 0.011 0.000 2.117 188 D HA -0.018 4.622 4.640 0.000 0.000 0.198 188 D C 2.192 178.457 176.300 -0.058 0.000 0.982 188 D CA 0.791 54.736 54.000 -0.091 0.000 0.828 188 D CB -0.179 40.636 40.800 0.024 0.000 0.967 188 D HN 0.333 nan 8.370 nan 0.000 0.464 189 L N 1.129 122.461 121.223 0.183 0.000 2.042 189 L HA -0.189 4.151 4.340 0.000 0.000 0.210 189 L C 2.739 179.715 176.870 0.176 0.000 1.076 189 L CA 1.143 56.149 54.840 0.276 0.000 0.749 189 L CB -0.451 41.766 42.059 0.263 0.000 0.893 189 L HN -0.011 nan 8.230 nan 0.000 0.432 190 A N 0.173 123.045 122.820 0.087 0.000 1.902 190 A HA -0.183 4.137 4.320 0.000 0.000 0.217 190 A C 2.193 179.775 177.584 -0.004 0.000 1.181 190 A CA 1.496 53.569 52.037 0.060 0.000 0.623 190 A CB -0.633 18.390 19.000 0.040 0.000 0.818 190 A HN 0.362 nan 8.150 nan 0.000 0.443 191 I N -1.640 118.872 120.570 -0.096 0.000 2.226 191 I HA -0.245 3.925 4.170 0.000 0.000 0.245 191 I C 2.205 178.270 176.117 -0.088 0.000 1.100 191 I CA 1.287 62.471 61.300 -0.194 0.000 1.374 191 I CB -0.381 37.444 38.000 -0.292 0.000 1.057 191 I HN 0.282 nan 8.210 nan 0.000 0.413 192 F N 0.999 121.026 119.950 0.129 0.000 2.146 192 F HA -0.159 4.369 4.527 0.000 0.000 0.298 192 F C 2.644 178.533 175.800 0.149 0.000 1.096 192 F CA 1.022 59.129 58.000 0.179 0.000 1.275 192 F CB -1.313 37.768 39.000 0.136 0.000 1.008 192 F HN 0.001 nan 8.300 nan 0.000 0.480 193 A N 0.085 123.086 122.820 0.302 0.000 1.903 193 A HA -0.197 4.123 4.320 0.000 0.000 0.219 193 A C 2.430 180.187 177.584 0.289 0.000 1.191 193 A CA 2.405 54.612 52.037 0.283 0.000 0.638 193 A CB -1.313 17.835 19.000 0.246 0.000 0.823 193 A HN 0.198 nan 8.150 nan 0.000 0.451 194 V N -0.759 119.160 119.914 0.008 0.000 2.453 194 V HA -0.206 3.914 4.120 0.000 0.000 0.247 194 V C 2.427 178.394 176.094 -0.211 0.000 1.048 194 V CA 1.893 63.963 62.300 -0.383 0.000 1.049 194 V CB -1.028 30.357 31.823 -0.730 0.000 0.672 194 V HN 0.641 nan 8.190 nan 0.000 0.457 195 H N -0.043 119.003 119.070 -0.041 0.000 2.353 195 H HA -0.116 4.440 4.556 0.000 0.000 0.298 195 H C 2.275 177.651 175.328 0.080 0.000 1.103 195 H CA 1.867 57.935 56.048 0.033 0.000 1.293 195 H CB -0.158 29.688 29.762 0.140 0.000 1.372 195 H HN 0.328 nan 8.280 nan 0.000 0.501 196 L N -0.588 120.797 121.223 0.269 0.000 2.109 196 L HA -0.124 4.216 4.340 0.000 0.000 0.207 196 L C 2.812 179.841 176.870 0.265 0.000 1.086 196 L CA 0.955 55.943 54.840 0.247 0.000 0.760 196 L CB -0.403 41.804 42.059 0.246 0.000 0.910 196 L HN 0.166 nan 8.230 nan 0.000 0.437 197 S N 0.373 116.234 115.700 0.268 0.000 2.359 197 S HA -0.182 4.288 4.470 0.000 0.000 0.224 197 S C 2.075 176.772 174.600 0.161 0.000 1.035 197 S CA 1.665 59.995 58.200 0.217 0.000 1.018 197 S CB -0.557 62.606 63.200 -0.061 0.000 0.876 197 S HN 0.513 nan 8.310 nan 0.000 0.448 198 G N 0.756 109.612 108.800 0.093 0.000 2.440 198 G HA2 -0.099 3.861 3.960 0.000 0.000 0.218 198 G HA3 -0.099 3.861 3.960 0.000 0.000 0.218 198 G C 1.698 176.671 174.900 0.122 0.000 1.154 198 G CA 1.149 46.301 45.100 0.086 0.000 0.767 198 G HN 0.746 nan 8.290 nan 0.000 0.552 199 A N 0.549 123.458 122.820 0.148 0.000 1.873 199 A HA -0.008 4.312 4.320 0.000 0.000 0.215 199 A C 2.652 180.339 177.584 0.171 0.000 1.186 199 A CA 2.323 54.448 52.037 0.146 0.000 0.616 199 A CB -0.977 18.110 19.000 0.144 0.000 0.823 199 A HN 0.488 nan 8.150 nan 0.000 0.442 200 S N -0.242 115.587 115.700 0.215 0.000 2.365 200 S HA -0.180 4.290 4.470 0.000 0.000 0.225 200 S C 2.237 176.984 174.600 0.245 0.000 1.039 200 S CA 2.256 60.617 58.200 0.268 0.000 1.033 200 S CB -0.465 62.943 63.200 0.347 0.000 0.887 200 S HN 0.566 nan 8.310 nan 0.000 0.447 201 S N 1.086 116.899 115.700 0.188 0.000 2.368 201 S HA 0.049 4.519 4.470 0.000 0.000 0.224 201 S C 1.791 176.468 174.600 0.128 0.000 1.029 201 S CA 1.424 59.703 58.200 0.132 0.000 0.988 201 S CB -0.460 62.763 63.200 0.038 0.000 0.838 201 S HN 0.548 nan 8.310 nan 0.000 0.462 202 I N 1.541 122.177 120.570 0.110 0.000 2.179 202 I HA -0.180 3.990 4.170 0.000 0.000 0.242 202 I C 2.051 178.233 176.117 0.107 0.000 1.088 202 I CA 1.088 62.441 61.300 0.088 0.000 1.357 202 I CB -0.377 37.669 38.000 0.076 0.000 1.051 202 I HN 0.231 nan 8.210 nan 0.000 0.409 203 L N 0.236 121.539 121.223 0.134 0.000 2.083 203 L HA -0.141 4.199 4.340 0.000 0.000 0.209 203 L C 2.698 179.672 176.870 0.173 0.000 1.083 203 L CA 1.550 56.475 54.840 0.141 0.000 0.752 203 L CB -1.333 40.822 42.059 0.159 0.000 0.899 203 L HN 0.346 nan 8.230 nan 0.000 0.433 204 G N -0.123 108.811 108.800 0.223 0.000 2.446 204 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 204 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 204 G C 1.788 176.841 174.900 0.255 0.000 1.168 204 G CA 0.910 46.154 45.100 0.241 0.000 0.771 204 G HN 0.468 nan 8.290 nan 0.000 0.551 205 A N 0.736 123.752 122.820 0.327 0.000 1.902 205 A HA 0.029 4.349 4.320 0.000 0.000 0.217 205 A C 2.425 180.032 177.584 0.038 0.000 1.181 205 A CA 1.398 53.571 52.037 0.226 0.000 0.623 205 A CB -0.390 18.643 19.000 0.055 0.000 0.818 205 A HN 0.387 nan 8.150 nan 0.000 0.443 206 I N -0.127 120.470 120.570 0.044 0.000 2.163 206 I HA -0.287 3.884 4.170 0.000 0.000 0.243 206 I C 2.405 178.607 176.117 0.141 0.000 1.085 206 I CA 1.352 62.681 61.300 0.047 0.000 1.347 206 I CB -0.482 37.559 38.000 0.068 0.000 1.044 206 I HN 0.313 nan 8.210 nan 0.000 0.408 207 N N 0.595 119.401 118.700 0.176 0.000 2.069 207 N HA -0.166 4.574 4.740 0.000 0.000 0.191 207 N C 1.857 177.402 175.510 0.057 0.000 1.031 207 N CA 1.490 54.636 53.050 0.160 0.000 0.852 207 N CB -0.148 38.423 38.487 0.140 0.000 1.018 207 N HN 0.176 nan 8.380 nan 0.000 0.423 208 M N 0.333 119.951 119.600 0.030 0.000 2.080 208 M HA -0.095 4.385 4.480 0.000 0.000 0.260 208 M C 2.260 178.642 176.300 0.137 0.000 1.068 208 M CA 1.048 56.366 55.300 0.030 0.000 1.109 208 M CB -1.091 31.511 32.600 0.003 0.000 1.342 208 M HN 0.121 nan 8.290 nan 0.000 0.405 209 I N -0.144 120.473 120.570 0.079 0.000 2.202 209 I HA -0.248 3.922 4.170 0.000 0.000 0.242 209 I C 2.340 178.596 176.117 0.232 0.000 1.091 209 I CA 1.346 62.738 61.300 0.152 0.000 1.368 209 I CB -0.585 37.238 38.000 -0.294 0.000 1.058 209 I HN 0.299 nan 8.210 nan 0.000 0.410 210 T N -0.068 114.563 114.554 0.129 0.000 2.708 210 T HA -0.172 4.178 4.350 0.000 0.000 0.266 210 T C 1.891 176.600 174.700 0.015 0.000 1.037 210 T CA 2.064 64.221 62.100 0.095 0.000 1.146 210 T CB -0.492 68.436 68.868 0.100 0.000 0.865 210 T HN 0.360 nan 8.240 nan 0.000 0.435 211 T N 1.843 116.384 114.554 -0.023 0.000 2.684 211 T HA -0.078 4.272 4.350 0.000 0.000 0.267 211 T C 1.569 176.243 174.700 -0.043 0.000 1.036 211 T CA 1.183 63.237 62.100 -0.077 0.000 1.148 211 T CB -0.604 68.205 68.868 -0.098 0.000 0.863 211 T HN 0.341 nan 8.240 nan 0.000 0.436 212 F N 1.414 121.292 119.950 -0.121 0.000 2.134 212 F HA 0.006 4.533 4.527 0.000 0.000 0.299 212 F C 1.946 177.582 175.800 -0.274 0.000 1.097 212 F CA 1.136 58.990 58.000 -0.244 0.000 1.264 212 F CB -0.340 38.469 39.000 -0.319 0.000 1.001 212 F HN 0.046 nan 8.300 nan 0.000 0.479 213 L N -0.314 120.990 121.223 0.136 0.000 2.156 213 L HA -0.143 4.197 4.340 0.000 0.000 0.208 213 L C 1.388 178.244 176.870 -0.023 0.000 1.095 213 L CA 0.997 55.894 54.840 0.094 0.000 0.770 213 L CB -0.441 41.767 42.059 0.248 0.000 0.914 213 L HN 0.180 nan 8.230 nan 0.000 0.439 214 N N -1.445 117.228 118.700 -0.046 0.000 2.210 214 N HA 0.172 4.912 4.740 0.000 0.000 0.203 214 N C 1.036 176.482 175.510 -0.106 0.000 1.175 214 N CA 0.409 53.424 53.050 -0.060 0.000 0.894 214 N CB 0.859 39.326 38.487 -0.034 0.000 1.041 214 N HN 0.264 nan 8.380 nan 0.000 0.506 215 M N 0.187 119.696 119.600 -0.152 0.000 2.502 215 M HA 0.250 4.730 4.480 0.000 0.000 0.351 215 M C -0.273 175.897 176.300 -0.217 0.000 1.118 215 M CA -0.223 54.977 55.300 -0.167 0.000 0.952 215 M CB 1.136 33.634 32.600 -0.169 0.000 1.424 215 M HN -0.226 nan 8.290 nan 0.000 0.529 216 R N 1.484 121.828 120.500 -0.260 0.000 2.590 216 R HA 0.405 4.745 4.340 0.000 0.000 0.274 216 R C 0.488 176.647 176.300 -0.234 0.000 1.061 216 R CA -0.176 55.742 56.100 -0.304 0.000 1.081 216 R CB 0.578 30.661 30.300 -0.362 0.000 0.984 216 R HN 0.268 nan 8.270 nan 0.000 0.448 217 A N 5.209 127.872 122.820 -0.261 0.000 2.507 217 A HA 0.146 4.466 4.320 0.000 0.000 0.235 217 A C -1.963 175.538 177.584 -0.139 0.000 1.070 217 A CA -0.939 50.975 52.037 -0.206 0.000 0.768 217 A CB -0.337 18.506 19.000 -0.263 0.000 1.011 217 A HN 0.448 nan 8.150 nan 0.000 0.502 218 P HA 0.300 nan 4.420 nan 0.000 0.267 218 P C 0.988 178.253 177.300 -0.058 0.000 1.205 218 P CA 1.629 64.692 63.100 -0.063 0.000 0.765 218 P CB 0.667 32.344 31.700 -0.039 0.000 0.828 219 G N 2.573 111.344 108.800 -0.049 0.000 2.199 219 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 219 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 219 G C 0.301 175.171 174.900 -0.049 0.000 0.982 219 G CA 0.176 45.254 45.100 -0.037 0.000 0.632 219 G HN 0.554 nan 8.290 nan 0.000 0.529 220 M N 3.574 123.121 119.600 -0.087 0.000 3.213 220 M HA 0.478 4.958 4.480 0.000 0.000 0.275 220 M C 1.176 177.404 176.300 -0.119 0.000 1.424 220 M CA 0.121 55.352 55.300 -0.115 0.000 1.561 220 M CB -0.606 31.883 32.600 -0.185 0.000 1.109 220 M HN 0.500 nan 8.290 nan 0.000 0.552 221 T N 0.049 114.579 114.554 -0.040 0.000 2.788 221 T HA 0.209 4.559 4.350 0.000 0.000 0.287 221 T C 1.475 176.197 174.700 0.036 0.000 1.007 221 T CA -0.756 61.351 62.100 0.011 0.000 1.005 221 T CB 0.697 69.625 68.868 0.100 0.000 1.012 221 T HN 0.564 nan 8.240 nan 0.000 0.530 222 M N 0.275 119.934 119.600 0.098 0.000 2.149 222 M HA -0.119 4.361 4.480 0.000 0.000 0.261 222 M C 2.009 178.560 176.300 0.418 0.000 1.064 222 M CA 1.904 57.327 55.300 0.204 0.000 1.102 222 M CB -1.733 31.046 32.600 0.299 0.000 1.369 222 M HN 0.792 nan 8.290 nan 0.000 0.408 223 H N -0.328 118.950 119.070 0.347 0.000 2.561 223 H HA -0.039 4.517 4.556 0.000 0.000 0.278 223 H C 1.562 177.023 175.328 0.222 0.000 1.014 223 H CA 0.926 57.188 56.048 0.357 0.000 1.211 223 H CB 0.026 29.911 29.762 0.204 0.000 1.365 223 H HN 0.114 nan 8.280 nan 0.000 0.594 224 K N -0.305 120.241 120.400 0.244 0.000 2.380 224 K HA 0.153 4.473 4.320 0.000 0.000 0.198 224 K C -0.307 176.352 176.600 0.097 0.000 1.070 224 K CA -0.014 56.313 56.287 0.068 0.000 1.040 224 K CB 0.870 33.383 32.500 0.023 0.000 0.903 224 K HN -0.051 nan 8.250 nan 0.000 0.549 225 V N 4.303 124.337 119.914 0.200 0.000 2.493 225 V HA 0.052 4.172 4.120 0.000 0.000 0.292 225 V C -2.165 174.170 176.094 0.401 0.000 1.016 225 V CA -1.328 61.038 62.300 0.110 0.000 1.097 225 V CB 0.312 31.951 31.823 -0.308 0.000 0.947 225 V HN 0.097 nan 8.190 nan 0.000 0.479 226 P HA 0.057 nan 4.420 nan 0.000 0.267 226 P C 1.038 178.745 177.300 0.678 0.000 1.201 226 P CA 0.060 63.406 63.100 0.411 0.000 0.775 226 P CB 0.540 32.395 31.700 0.258 0.000 0.854 227 L N 1.212 122.873 121.223 0.730 0.000 2.083 227 L HA -0.186 4.154 4.340 0.000 0.000 0.209 227 L C 2.180 179.460 176.870 0.684 0.000 1.083 227 L CA 1.387 56.640 54.840 0.689 0.000 0.752 227 L CB -0.631 41.743 42.059 0.525 0.000 0.899 227 L HN 0.370 nan 8.230 nan 0.000 0.433 228 F N 0.942 121.257 119.950 0.610 0.000 2.126 228 F HA -0.268 4.259 4.527 0.000 0.000 0.299 228 F C 2.424 178.485 175.800 0.435 0.000 1.096 228 F CA 1.371 59.566 58.000 0.326 0.000 1.255 228 F CB -0.263 38.718 39.000 -0.031 0.000 0.997 228 F HN 0.006 nan 8.300 nan 0.000 0.479 229 A N -0.636 122.475 122.820 0.486 0.000 1.898 229 A HA -0.207 4.113 4.320 0.000 0.000 0.216 229 A C 2.162 179.938 177.584 0.320 0.000 1.181 229 A CA 1.498 53.741 52.037 0.344 0.000 0.620 229 A CB -1.727 17.504 19.000 0.386 0.000 0.819 229 A HN 0.657 nan 8.150 nan 0.000 0.442 230 W N 1.016 122.538 121.300 0.370 0.000 2.338 230 W HA -0.247 4.413 4.660 0.000 0.000 0.304 230 W C 3.038 179.659 176.519 0.171 0.000 1.212 230 W CA 2.117 59.627 57.345 0.275 0.000 1.264 230 W CB -0.139 29.463 29.460 0.238 0.000 1.142 230 W HN 0.514 nan 8.180 nan 0.000 0.512 231 S N -0.201 115.713 115.700 0.357 0.000 2.383 231 S HA -0.190 4.280 4.470 0.000 0.000 0.227 231 S C 1.715 176.381 174.600 0.111 0.000 1.026 231 S CA 1.323 59.650 58.200 0.212 0.000 0.981 231 S CB -0.664 62.643 63.200 0.178 0.000 0.818 231 S HN 0.095 nan 8.310 nan 0.000 0.472 232 I N 0.776 121.334 120.570 -0.021 0.000 2.252 232 I HA -0.007 4.163 4.170 0.000 0.000 0.245 232 I C 2.260 178.485 176.117 0.179 0.000 1.102 232 I CA 0.981 62.301 61.300 0.034 0.000 1.385 232 I CB -1.409 36.485 38.000 -0.176 0.000 1.064 232 I HN 0.303 nan 8.210 nan 0.000 0.414 233 F N 1.838 121.746 119.950 -0.070 0.000 2.075 233 F HA -0.188 4.339 4.527 0.000 0.000 0.297 233 F C 2.479 178.329 175.800 0.084 0.000 1.113 233 F CA 1.528 59.403 58.000 -0.208 0.000 1.218 233 F CB -0.575 37.884 39.000 -0.902 0.000 0.984 233 F HN -0.182 nan 8.300 nan 0.000 0.472 234 V N -0.158 119.857 119.914 0.169 0.000 2.287 234 V HA -0.341 3.779 4.120 0.000 0.000 0.248 234 V C 2.356 178.526 176.094 0.126 0.000 1.053 234 V CA 2.443 64.836 62.300 0.154 0.000 1.027 234 V CB -1.334 30.618 31.823 0.215 0.000 0.646 234 V HN 0.416 nan 8.190 nan 0.000 0.447 235 T N 0.473 115.096 114.554 0.114 0.000 2.699 235 T HA -0.249 4.101 4.350 0.000 0.000 0.268 235 T C 2.050 176.727 174.700 -0.039 0.000 1.036 235 T CA 1.787 63.910 62.100 0.039 0.000 1.147 235 T CB -0.503 68.394 68.868 0.049 0.000 0.862 235 T HN 0.601 nan 8.240 nan 0.000 0.446 236 A N 0.385 123.225 122.820 0.032 0.000 1.908 236 A HA -0.120 4.200 4.320 0.000 0.000 0.218 236 A C 2.070 179.540 177.584 -0.190 0.000 1.181 236 A CA 1.513 53.516 52.037 -0.057 0.000 0.627 236 A CB -1.152 17.814 19.000 -0.058 0.000 0.818 236 A HN 0.701 nan 8.150 nan 0.000 0.445 237 W N 0.163 121.375 121.300 -0.145 0.000 2.388 237 W HA -0.063 4.597 4.660 0.000 0.000 0.294 237 W C 2.087 178.607 176.519 0.000 0.000 1.212 237 W CA 0.998 58.269 57.345 -0.123 0.000 1.271 237 W CB -0.351 28.979 29.460 -0.215 0.000 1.126 237 W HN 0.226 nan 8.180 nan 0.000 0.535 238 L N -0.383 121.006 121.223 0.275 0.000 2.046 238 L HA -0.230 4.110 4.340 0.000 0.000 0.208 238 L C 2.148 179.184 176.870 0.276 0.000 1.077 238 L CA 1.252 56.316 54.840 0.373 0.000 0.747 238 L CB -1.055 41.145 42.059 0.235 0.000 0.896 238 L HN 0.017 nan 8.230 nan 0.000 0.432 239 I N -0.379 120.236 120.570 0.076 0.000 2.208 239 I HA -0.309 3.861 4.170 0.000 0.000 0.245 239 I C 2.412 178.587 176.117 0.096 0.000 1.097 239 I CA 1.104 62.419 61.300 0.026 0.000 1.363 239 I CB -0.170 37.737 38.000 -0.155 0.000 1.051 239 I HN 0.193 nan 8.210 nan 0.000 0.413 240 L N -0.149 121.118 121.223 0.073 0.000 2.131 240 L HA -0.183 4.157 4.340 0.000 0.000 0.210 240 L C 2.157 179.109 176.870 0.137 0.000 1.092 240 L CA 1.688 56.574 54.840 0.077 0.000 0.759 240 L CB -0.674 41.398 42.059 0.022 0.000 0.903 240 L HN 0.256 nan 8.230 nan 0.000 0.435 241 L N -1.972 119.365 121.223 0.190 0.000 2.168 241 L HA -0.010 4.330 4.340 0.000 0.000 0.203 241 L C 2.333 179.421 176.870 0.363 0.000 1.078 241 L CA 1.014 55.963 54.840 0.181 0.000 0.780 241 L CB -0.146 41.845 42.059 -0.112 0.000 0.939 241 L HN 0.254 nan 8.230 nan 0.000 0.451 242 A N -0.429 122.673 122.820 0.471 0.000 1.878 242 A HA -0.084 4.236 4.320 0.000 0.000 0.213 242 A C 1.992 179.828 177.584 0.419 0.000 1.192 242 A CA 0.607 52.947 52.037 0.506 0.000 0.619 242 A CB -0.390 18.831 19.000 0.369 0.000 0.837 242 A HN 0.282 nan 8.150 nan 0.000 0.446 243 L N -0.162 121.240 121.223 0.298 0.000 2.046 243 L HA -0.077 4.263 4.340 0.000 0.000 0.208 243 L C -0.481 176.429 176.870 0.066 0.000 1.077 243 L CA 2.064 56.994 54.840 0.151 0.000 0.747 243 L CB -2.337 39.792 42.059 0.117 0.000 0.896 243 L HN 0.205 nan 8.230 nan 0.000 0.432 244 P HA -0.101 nan 4.420 nan 0.000 0.218 244 P C 2.152 179.475 177.300 0.039 0.000 1.148 244 P CA 0.907 64.045 63.100 0.063 0.000 0.822 244 P CB 0.131 31.873 31.700 0.070 0.000 0.784 245 V N -0.431 119.532 119.914 0.083 0.000 2.307 245 V HA -0.208 3.912 4.120 0.000 0.000 0.245 245 V C 2.379 178.453 176.094 -0.033 0.000 1.045 245 V CA 1.496 63.823 62.300 0.046 0.000 1.024 245 V CB -1.262 30.666 31.823 0.175 0.000 0.651 245 V HN 0.057 nan 8.190 nan 0.000 0.449 246 L N 1.162 122.339 121.223 -0.075 0.000 2.012 246 L HA -0.149 4.191 4.340 0.000 0.000 0.210 246 L C 2.483 179.190 176.870 -0.271 0.000 1.073 246 L CA 2.445 57.095 54.840 -0.317 0.000 0.748 246 L CB -1.020 40.545 42.059 -0.823 0.000 0.891 246 L HN 0.229 nan 8.230 nan 0.000 0.431 247 A N -0.424 122.289 122.820 -0.177 0.000 1.917 247 A HA -0.169 4.151 4.320 0.000 0.000 0.219 247 A C 2.370 179.944 177.584 -0.016 0.000 1.182 247 A CA 1.907 53.890 52.037 -0.089 0.000 0.633 247 A CB -1.713 17.344 19.000 0.095 0.000 0.819 247 A HN 0.570 nan 8.150 nan 0.000 0.448 248 G N -0.635 108.147 108.800 -0.030 0.000 2.459 248 G HA2 -0.040 3.920 3.960 0.000 0.000 0.217 248 G HA3 -0.040 3.920 3.960 0.000 0.000 0.217 248 G C 1.807 176.682 174.900 -0.043 0.000 1.183 248 G CA 1.745 46.820 45.100 -0.041 0.000 0.776 248 G HN 0.876 nan 8.290 nan 0.000 0.552 249 A N 1.345 124.125 122.820 -0.067 0.000 1.865 249 A HA -0.075 4.245 4.320 0.000 0.000 0.217 249 A C 2.463 180.137 177.584 0.149 0.000 1.191 249 A CA 1.893 53.934 52.037 0.006 0.000 0.623 249 A CB -0.526 18.334 19.000 -0.232 0.000 0.826 249 A HN 0.812 nan 8.150 nan 0.000 0.444 250 I N -3.591 116.975 120.570 -0.008 0.000 2.761 250 I HA -0.060 4.110 4.170 0.000 0.000 0.261 250 I C 1.909 178.035 176.117 0.016 0.000 1.198 250 I CA 1.787 63.066 61.300 -0.035 0.000 1.482 250 I CB -0.814 37.029 38.000 -0.263 0.000 1.100 250 I HN 0.099 nan 8.210 nan 0.000 0.445 251 T N 1.670 116.267 114.554 0.072 0.000 2.821 251 T HA -0.004 4.346 4.350 0.000 0.000 0.267 251 T C 1.898 176.686 174.700 0.147 0.000 1.046 251 T CA 1.773 63.976 62.100 0.171 0.000 1.139 251 T CB -0.214 68.763 68.868 0.181 0.000 0.871 251 T HN 0.331 nan 8.240 nan 0.000 0.454 252 M N 0.545 120.210 119.600 0.109 0.000 2.213 252 M HA 0.006 4.486 4.480 0.000 0.000 0.263 252 M C 2.075 178.571 176.300 0.325 0.000 1.062 252 M CA 1.371 56.737 55.300 0.111 0.000 1.105 252 M CB -0.560 31.958 32.600 -0.136 0.000 1.385 252 M HN 0.188 nan 8.290 nan 0.000 0.417 253 L N -0.425 121.004 121.223 0.342 0.000 2.017 253 L HA -0.211 4.129 4.340 0.000 0.000 0.208 253 L C 2.499 179.457 176.870 0.146 0.000 1.073 253 L CA 0.936 55.915 54.840 0.231 0.000 0.745 253 L CB -0.650 41.437 42.059 0.048 0.000 0.894 253 L HN 0.294 nan 8.230 nan 0.000 0.432 254 L N -0.129 121.168 121.223 0.122 0.000 2.046 254 L HA -0.200 4.140 4.340 0.000 0.000 0.208 254 L C 2.756 179.768 176.870 0.236 0.000 1.077 254 L CA 2.319 57.228 54.840 0.115 0.000 0.747 254 L CB -0.509 41.605 42.059 0.092 0.000 0.896 254 L HN 0.441 nan 8.230 nan 0.000 0.432 255 T N -4.835 109.901 114.554 0.304 0.000 2.857 255 T HA -0.131 4.219 4.350 0.000 0.000 0.266 255 T C 1.649 176.480 174.700 0.218 0.000 1.048 255 T CA 1.112 63.441 62.100 0.383 0.000 1.139 255 T CB -0.569 68.510 68.868 0.351 0.000 0.874 255 T HN 0.241 nan 8.240 nan 0.000 0.455 256 D N 1.217 121.716 120.400 0.166 0.000 2.144 256 D HA -0.000 4.640 4.640 0.000 0.000 0.199 256 D C 2.466 178.793 176.300 0.045 0.000 0.984 256 D CA 0.889 54.930 54.000 0.069 0.000 0.834 256 D CB -0.207 40.652 40.800 0.098 0.000 0.955 256 D HN 0.425 nan 8.370 nan 0.000 0.465 257 R N -0.254 120.277 120.500 0.052 0.000 2.073 257 R HA 0.079 4.419 4.340 0.000 0.000 0.229 257 R C 1.368 177.628 176.300 -0.067 0.000 1.120 257 R CA 0.920 57.020 56.100 0.000 0.000 0.967 257 R CB 0.132 30.432 30.300 -0.000 0.000 0.862 257 R HN 0.197 nan 8.270 nan 0.000 0.436 258 N N -1.395 117.230 118.700 -0.125 0.000 2.382 258 N HA 0.056 4.796 4.740 0.000 0.000 0.200 258 N C 0.142 175.284 175.510 -0.613 0.000 1.122 258 N CA 0.509 53.298 53.050 -0.434 0.000 0.870 258 N CB 0.719 38.792 38.487 -0.690 0.000 1.176 258 N HN 0.064 nan 8.380 nan 0.000 0.474 259 F N 0.203 120.162 119.950 0.015 0.000 2.764 259 F HA 0.389 4.916 4.527 0.000 0.000 0.310 259 F C 1.393 177.176 175.800 -0.028 0.000 1.124 259 F CA -0.315 57.687 58.000 0.004 0.000 1.252 259 F CB 0.630 39.643 39.000 0.021 0.000 1.010 259 F HN -0.018 nan 8.300 nan 0.000 0.518 260 G N 1.018 109.851 108.800 0.055 0.000 2.155 260 G HA2 -0.324 3.636 3.960 0.000 0.000 0.257 260 G HA3 -0.324 3.636 3.960 0.000 0.000 0.257 260 G C 0.453 175.309 174.900 -0.073 0.000 0.983 260 G CA 0.493 45.588 45.100 -0.008 0.000 0.676 260 G HN 0.493 nan 8.290 nan 0.000 0.528 261 T N -1.727 112.764 114.554 -0.106 0.000 2.813 261 T HA 0.541 4.891 4.350 0.000 0.000 0.297 261 T C 0.934 175.428 174.700 -0.343 0.000 1.036 261 T CA 0.844 62.734 62.100 -0.349 0.000 1.044 261 T CB 1.628 70.154 68.868 -0.571 0.000 0.993 261 T HN 1.124 nan 8.240 nan 0.000 0.535 262 T N -1.129 113.130 114.554 -0.492 0.000 3.533 262 T HA 0.313 4.663 4.350 0.000 0.000 0.275 262 T C 0.589 175.094 174.700 -0.326 0.000 1.000 262 T CA -0.675 61.248 62.100 -0.296 0.000 1.015 262 T CB -0.756 68.003 68.868 -0.182 0.000 1.153 262 T HN 0.420 nan 8.240 nan 0.000 0.504 263 F N 1.125 120.860 119.950 -0.358 0.000 2.161 263 F HA 0.124 4.651 4.527 0.000 0.000 0.300 263 F C 1.132 176.620 175.800 -0.520 0.000 1.089 263 F CA 0.999 58.629 58.000 -0.616 0.000 1.282 263 F CB -0.471 37.823 39.000 -1.176 0.000 1.010 263 F HN 0.380 nan 8.300 nan 0.000 0.485 264 F N -1.051 119.012 119.950 0.188 0.000 2.735 264 F HA 0.296 4.823 4.527 0.000 0.000 0.308 264 F C -0.000 175.832 175.800 0.053 0.000 1.112 264 F CA -0.753 57.312 58.000 0.108 0.000 1.235 264 F CB -0.485 38.558 39.000 0.071 0.000 1.027 264 F HN -0.234 nan 8.300 nan 0.000 0.528 265 Q N 1.423 121.298 119.800 0.126 0.000 2.368 265 Q HA 0.322 4.662 4.340 0.000 0.000 0.263 265 Q C -2.146 173.885 176.000 0.052 0.000 1.009 265 Q CA -2.074 53.774 55.803 0.074 0.000 0.818 265 Q CB 1.753 30.508 28.738 0.027 0.000 1.239 265 Q HN 0.049 nan 8.270 nan 0.000 0.464 266 P HA -0.155 nan 4.420 nan 0.000 0.220 266 P C 1.341 178.659 177.300 0.029 0.000 1.148 266 P CA 1.184 64.315 63.100 0.051 0.000 0.803 266 P CB 0.300 32.033 31.700 0.055 0.000 0.782 267 S N -1.062 114.651 115.700 0.022 0.000 2.469 267 S HA -0.029 4.441 4.470 0.000 0.000 0.238 267 S C 1.788 176.386 174.600 -0.003 0.000 0.998 267 S CA 1.246 59.452 58.200 0.010 0.000 0.957 267 S CB -1.426 61.779 63.200 0.008 0.000 0.764 267 S HN 0.231 nan 8.310 nan 0.000 0.514 268 G N -0.935 107.858 108.800 -0.011 0.000 3.651 268 G HA2 0.505 4.465 3.960 0.000 0.000 0.279 268 G HA3 0.505 4.465 3.960 0.000 0.000 0.279 268 G C 0.829 175.710 174.900 -0.031 0.000 1.024 268 G CA -0.064 45.016 45.100 -0.033 0.000 0.813 268 G HN 1.294 nan 8.290 nan 0.000 0.518 269 G N -0.994 107.804 108.800 -0.004 0.000 2.175 269 G HA2 -0.013 3.947 3.960 0.000 0.000 0.244 269 G HA3 -0.013 3.947 3.960 0.000 0.000 0.244 269 G C 0.784 175.701 174.900 0.028 0.000 0.982 269 G CA 0.175 45.280 45.100 0.009 0.000 0.641 269 G HN 1.060 nan 8.290 nan 0.000 0.527 270 G N -0.806 108.013 108.800 0.032 0.000 2.580 270 G HA2 0.513 4.473 3.960 0.000 0.000 0.278 270 G HA3 0.513 4.473 3.960 0.000 0.000 0.278 270 G C -0.884 174.094 174.900 0.130 0.000 1.212 270 G CA 0.475 45.621 45.100 0.077 0.000 0.939 270 G HN 0.404 nan 8.290 nan 0.000 0.513 271 D N -0.671 119.857 120.400 0.213 0.000 2.575 271 D HA 0.366 5.006 4.640 0.000 0.000 0.250 271 D C -1.891 174.583 176.300 0.290 0.000 1.279 271 D CA -1.897 52.229 54.000 0.211 0.000 0.925 271 D CB 2.212 43.123 40.800 0.186 0.000 1.261 271 D HN -0.048 nan 8.370 nan 0.000 0.567 272 P HA -0.120 nan 4.420 nan 0.000 0.219 272 P C 1.397 178.693 177.300 -0.007 0.000 1.146 272 P CA 0.543 63.702 63.100 0.099 0.000 0.808 272 P CB 0.464 32.190 31.700 0.043 0.000 0.779 273 V N -0.823 119.119 119.914 0.047 0.000 2.809 273 V HA -0.153 3.967 4.120 0.000 0.000 0.256 273 V C 2.270 178.421 176.094 0.096 0.000 1.080 273 V CA 0.937 63.243 62.300 0.010 0.000 1.102 273 V CB -1.087 30.765 31.823 0.049 0.000 0.705 273 V HN 0.070 nan 8.190 nan 0.000 0.475 274 L N 0.078 121.426 121.223 0.209 0.000 2.042 274 L HA -0.220 4.120 4.340 0.000 0.000 0.210 274 L C 2.310 179.261 176.870 0.135 0.000 1.076 274 L CA 2.263 57.268 54.840 0.275 0.000 0.749 274 L CB -0.902 41.378 42.059 0.368 0.000 0.893 274 L HN 0.484 nan 8.230 nan 0.000 0.432 275 Y N 0.073 120.220 120.300 -0.256 0.000 2.165 275 Y HA -0.294 4.256 4.550 0.000 0.000 0.286 275 Y C 2.527 178.191 175.900 -0.394 0.000 1.155 275 Y CA 2.157 59.872 58.100 -0.642 0.000 1.164 275 Y CB -0.276 37.310 38.460 -1.455 0.000 0.978 275 Y HN 0.386 nan 8.280 nan 0.000 0.513 276 Q N -0.978 118.615 119.800 -0.345 0.000 2.084 276 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 276 Q C 2.092 178.024 176.000 -0.114 0.000 0.978 276 Q CA 1.572 57.183 55.803 -0.320 0.000 0.844 276 Q CB -0.359 28.229 28.738 -0.251 0.000 0.898 276 Q HN 0.643 nan 8.270 nan 0.000 0.426 277 H N 0.297 119.372 119.070 0.008 0.000 2.321 277 H HA -0.093 4.463 4.556 0.000 0.000 0.300 277 H C 2.182 177.400 175.328 -0.182 0.000 1.087 277 H CA 1.370 57.474 56.048 0.093 0.000 1.319 277 H CB -0.094 29.755 29.762 0.143 0.000 1.379 277 H HN 0.250 nan 8.280 nan 0.000 0.501 278 I N 0.247 120.737 120.570 -0.133 0.000 2.202 278 I HA -0.241 3.929 4.170 0.000 0.000 0.242 278 I C 2.701 178.650 176.117 -0.281 0.000 1.091 278 I CA 0.659 61.819 61.300 -0.233 0.000 1.368 278 I CB -0.274 37.589 38.000 -0.228 0.000 1.058 278 I HN 0.067 nan 8.210 nan 0.000 0.410 279 L N 0.398 121.264 121.223 -0.595 0.000 1.990 279 L HA -0.207 4.133 4.340 0.000 0.000 0.213 279 L C 2.178 178.802 176.870 -0.409 0.000 1.072 279 L CA 2.086 56.512 54.840 -0.690 0.000 0.755 279 L CB -0.581 40.727 42.059 -1.251 0.000 0.889 279 L HN 0.213 nan 8.230 nan 0.000 0.432 280 W N -1.848 119.366 121.300 -0.144 0.000 2.519 280 W HA -0.096 4.564 4.660 0.000 0.000 0.266 280 W C 2.258 178.770 176.519 -0.012 0.000 1.253 280 W CA 0.352 57.651 57.345 -0.075 0.000 1.274 280 W CB -0.298 29.186 29.460 0.040 0.000 1.114 280 W HN 0.180 nan 8.180 nan 0.000 0.596 281 F N 0.038 119.916 119.950 -0.120 0.000 2.202 281 F HA -0.241 4.286 4.527 0.000 0.000 0.301 281 F C 2.167 177.971 175.800 0.008 0.000 1.082 281 F CA 1.733 59.596 58.000 -0.229 0.000 1.313 281 F CB -0.476 38.237 39.000 -0.477 0.000 1.024 281 F HN -0.017 nan 8.300 nan 0.000 0.495 282 F N -0.104 119.863 119.950 0.028 0.000 2.270 282 F HA 0.209 4.736 4.527 0.000 0.000 0.295 282 F C 2.168 177.918 175.800 -0.083 0.000 1.087 282 F CA 1.328 59.310 58.000 -0.029 0.000 1.365 282 F CB -0.991 37.984 39.000 -0.041 0.000 1.056 282 F HN -0.137 nan 8.300 nan 0.000 0.506 283 G N -0.977 107.582 108.800 -0.401 0.000 2.421 283 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 283 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 283 G C 1.322 176.074 174.900 -0.247 0.000 1.143 283 G CA 0.976 45.770 45.100 -0.509 0.000 0.784 283 G HN 0.538 nan 8.290 nan 0.000 0.541 284 H N 1.540 120.576 119.070 -0.056 0.000 2.284 284 H HA 0.025 4.581 4.556 0.000 0.000 0.304 284 H C 0.156 175.407 175.328 -0.129 0.000 1.069 284 H CA 1.500 57.563 56.048 0.025 0.000 1.327 284 H CB -0.463 29.417 29.762 0.197 0.000 1.387 284 H HN 0.207 nan 8.280 nan 0.000 0.498 285 P HA -0.235 nan 4.420 nan 0.000 0.218 285 P C 1.201 178.268 177.300 -0.388 0.000 1.152 285 P CA 2.199 65.062 63.100 -0.395 0.000 0.857 285 P CB -0.061 31.150 31.700 -0.815 0.000 0.787 286 E N 0.125 119.943 120.200 -0.637 0.000 2.108 286 E HA -0.228 4.122 4.350 0.000 0.000 0.203 286 E C 1.684 177.980 176.600 -0.507 0.000 1.022 286 E CA 2.266 58.276 56.400 -0.650 0.000 0.823 286 E CB -1.245 27.862 29.700 -0.987 0.000 0.744 286 E HN 0.193 nan 8.360 nan 0.000 0.456 287 V N -1.521 118.034 119.914 -0.600 0.000 2.719 287 V HA -0.118 4.002 4.120 0.000 0.000 0.252 287 V C 1.879 177.583 176.094 -0.649 0.000 1.065 287 V CA 1.538 63.449 62.300 -0.649 0.000 1.086 287 V CB -1.029 30.347 31.823 -0.744 0.000 0.700 287 V HN 0.272 nan 8.190 nan 0.000 0.467 288 Y N 0.505 120.639 120.300 -0.277 0.000 2.337 288 Y HA 0.204 4.754 4.550 0.000 0.000 0.293 288 Y C 2.313 178.103 175.900 -0.182 0.000 1.123 288 Y CA 1.336 59.340 58.100 -0.160 0.000 1.201 288 Y CB -0.526 37.903 38.460 -0.052 0.000 1.011 288 Y HN 0.196 nan 8.280 nan 0.000 0.545 289 I N -0.494 120.000 120.570 -0.127 0.000 2.286 289 I HA -0.293 3.877 4.170 0.000 0.000 0.248 289 I C 2.006 178.003 176.117 -0.200 0.000 1.115 289 I CA 1.352 62.547 61.300 -0.175 0.000 1.392 289 I CB -0.328 37.532 38.000 -0.234 0.000 1.065 289 I HN 0.179 nan 8.210 nan 0.000 0.418 290 I N -0.481 119.939 120.570 -0.250 0.000 2.202 290 I HA -0.245 3.925 4.170 0.000 0.000 0.242 290 I C 2.469 178.463 176.117 -0.205 0.000 1.091 290 I CA 1.213 62.374 61.300 -0.232 0.000 1.368 290 I CB -0.231 37.595 38.000 -0.290 0.000 1.058 290 I HN 0.044 nan 8.210 nan 0.000 0.410 291 V N 0.718 120.468 119.914 -0.275 0.000 2.878 291 V HA -0.071 4.049 4.120 0.000 0.000 0.250 291 V C 2.202 177.938 176.094 -0.596 0.000 1.075 291 V CA 0.925 62.983 62.300 -0.405 0.000 1.096 291 V CB 0.127 31.677 31.823 -0.454 0.000 0.724 291 V HN 0.276 nan 8.190 nan 0.000 0.467 292 L N 0.485 121.487 121.223 -0.369 0.000 2.013 292 L HA -0.140 4.200 4.340 0.000 0.000 0.212 292 L C -0.010 176.852 176.870 -0.014 0.000 1.073 292 L CA 2.106 56.835 54.840 -0.185 0.000 0.753 292 L CB -1.863 40.221 42.059 0.042 0.000 0.890 292 L HN 0.341 nan 8.230 nan 0.000 0.432 293 P HA -0.183 nan 4.420 nan 0.000 0.218 293 P C 1.387 178.821 177.300 0.223 0.000 1.148 293 P CA 1.760 64.950 63.100 0.150 0.000 0.822 293 P CB -0.016 31.811 31.700 0.213 0.000 0.784 294 A N -1.277 121.561 122.820 0.029 0.000 1.898 294 A HA -0.187 4.133 4.320 0.000 0.000 0.216 294 A C 1.892 179.393 177.584 -0.139 0.000 1.181 294 A CA 1.315 53.298 52.037 -0.090 0.000 0.620 294 A CB -1.684 17.219 19.000 -0.161 0.000 0.819 294 A HN 0.024 nan 8.150 nan 0.000 0.442 295 F N 0.566 120.455 119.950 -0.101 0.000 2.095 295 F HA -0.103 4.424 4.527 0.000 0.000 0.298 295 F C 2.687 178.614 175.800 0.211 0.000 1.104 295 F CA 0.559 58.606 58.000 0.078 0.000 1.232 295 F CB -1.550 37.641 39.000 0.318 0.000 0.987 295 F HN 0.267 nan 8.300 nan 0.000 0.475 296 G N 0.394 109.466 108.800 0.454 0.000 2.476 296 G HA2 -0.259 3.702 3.960 0.000 0.000 0.218 296 G HA3 -0.259 3.702 3.960 0.000 0.000 0.218 296 G C 1.907 177.048 174.900 0.403 0.000 1.164 296 G CA 1.189 46.593 45.100 0.506 0.000 0.768 296 G HN 0.374 nan 8.290 nan 0.000 0.560 297 I N 0.253 120.964 120.570 0.235 0.000 2.226 297 I HA -0.156 4.014 4.170 0.000 0.000 0.245 297 I C 2.802 178.739 176.117 -0.301 0.000 1.100 297 I CA 0.456 61.659 61.300 -0.161 0.000 1.374 297 I CB -0.273 37.557 38.000 -0.284 0.000 1.057 297 I HN 0.036 nan 8.210 nan 0.000 0.413 298 V N 0.218 119.918 119.914 -0.357 0.000 2.332 298 V HA -0.304 3.816 4.120 0.000 0.000 0.248 298 V C 2.550 178.410 176.094 -0.390 0.000 1.055 298 V CA 2.200 64.134 62.300 -0.610 0.000 1.038 298 V CB -0.621 30.485 31.823 -1.196 0.000 0.651 298 V HN 0.386 nan 8.190 nan 0.000 0.450 299 S N -1.464 114.273 115.700 0.062 0.000 2.359 299 S HA -0.232 4.238 4.470 0.000 0.000 0.224 299 S C 1.824 176.540 174.600 0.194 0.000 1.035 299 S CA 1.588 60.023 58.200 0.391 0.000 1.018 299 S CB -0.465 63.098 63.200 0.604 0.000 0.876 299 S HN 0.703 nan 8.310 nan 0.000 0.448 300 H N -0.166 118.879 119.070 -0.040 0.000 2.357 300 H HA -0.013 4.543 4.556 0.000 0.000 0.301 300 H C 2.238 177.296 175.328 -0.451 0.000 1.082 300 H CA 1.513 57.481 56.048 -0.133 0.000 1.342 300 H CB -0.163 29.555 29.762 -0.073 0.000 1.389 300 H HN 0.217 nan 8.280 nan 0.000 0.511 301 V N 1.336 120.889 119.914 -0.602 0.000 2.358 301 V HA -0.219 3.901 4.120 0.000 0.000 0.246 301 V C 2.551 178.477 176.094 -0.280 0.000 1.047 301 V CA 1.392 63.233 62.300 -0.764 0.000 1.035 301 V CB -0.367 31.007 31.823 -0.748 0.000 0.658 301 V HN 0.334 nan 8.190 nan 0.000 0.452 302 I N 0.378 120.824 120.570 -0.207 0.000 2.315 302 I HA -0.195 3.975 4.170 0.000 0.000 0.248 302 I C 2.649 178.747 176.117 -0.032 0.000 1.117 302 I CA 1.346 62.599 61.300 -0.080 0.000 1.404 302 I CB -0.558 37.408 38.000 -0.056 0.000 1.071 302 I HN 0.294 nan 8.210 nan 0.000 0.419 303 A N 0.512 123.313 122.820 -0.032 0.000 1.933 303 A HA -0.182 4.138 4.320 0.000 0.000 0.218 303 A C 2.373 179.893 177.584 -0.105 0.000 1.175 303 A CA 2.317 54.340 52.037 -0.023 0.000 0.628 303 A CB -0.979 18.029 19.000 0.013 0.000 0.814 303 A HN 0.362 nan 8.150 nan 0.000 0.444 304 T N -0.513 113.909 114.554 -0.220 0.000 2.674 304 T HA -0.104 4.246 4.350 0.000 0.000 0.265 304 T C 1.360 175.731 174.700 -0.549 0.000 1.039 304 T CA 1.776 63.613 62.100 -0.439 0.000 1.150 304 T CB -0.412 68.021 68.868 -0.725 0.000 0.864 304 T HN 0.446 nan 8.240 nan 0.000 0.427 305 F N 0.832 120.650 119.950 -0.220 0.000 2.743 305 F HA 0.419 4.946 4.527 0.000 0.000 0.297 305 F C 2.302 178.010 175.800 -0.153 0.000 1.131 305 F CA -0.059 57.819 58.000 -0.203 0.000 1.426 305 F CB -0.307 38.532 39.000 -0.268 0.000 1.116 305 F HN 0.115 nan 8.300 nan 0.000 0.583 306 A N -0.125 122.681 122.820 -0.023 0.000 2.169 306 A HA 0.034 4.355 4.320 0.000 0.000 0.212 306 A C 1.196 178.687 177.584 -0.157 0.000 1.153 306 A CA 0.078 52.083 52.037 -0.052 0.000 0.756 306 A CB -0.443 18.549 19.000 -0.013 0.000 0.813 306 A HN 0.282 nan 8.150 nan 0.000 0.471 307 K N -1.131 119.117 120.400 -0.252 0.000 3.150 307 K HA -0.188 4.132 4.320 0.000 0.000 0.267 307 K C -0.400 175.666 176.600 -0.890 0.000 1.028 307 K CA 1.267 57.184 56.287 -0.617 0.000 0.753 307 K CB -1.407 30.810 32.500 -0.472 0.000 1.288 307 K HN 0.634 nan 8.250 nan 0.000 0.473 308 K N 0.192 120.364 120.400 -0.380 0.000 2.557 308 K HA 0.292 4.612 4.320 0.000 0.000 0.257 308 K C -2.845 173.768 176.600 0.022 0.000 0.933 308 K CA -1.751 54.452 56.287 -0.139 0.000 0.820 308 K CB 2.012 34.478 32.500 -0.057 0.000 1.330 308 K HN -0.268 nan 8.250 nan 0.000 0.432 309 P HA 0.089 nan 4.420 nan 0.000 0.274 309 P C -0.276 177.096 177.300 0.120 0.000 1.237 309 P CA -0.519 62.637 63.100 0.093 0.000 0.793 309 P CB 0.513 32.259 31.700 0.076 0.000 0.977 310 I N 2.092 122.741 120.570 0.132 0.000 2.741 310 I HA -0.016 4.154 4.170 0.000 0.000 0.288 310 I C 0.187 176.424 176.117 0.200 0.000 1.192 310 I CA -0.046 61.370 61.300 0.193 0.000 1.426 310 I CB -0.740 37.389 38.000 0.215 0.000 1.367 310 I HN 0.144 nan 8.210 nan 0.000 0.563 311 F N 7.824 127.824 119.950 0.084 0.000 2.529 311 F HA 0.415 4.942 4.527 0.000 0.000 0.365 311 F C 1.314 177.128 175.800 0.024 0.000 1.102 311 F CA 0.490 58.523 58.000 0.055 0.000 1.271 311 F CB 0.423 39.454 39.000 0.052 0.000 1.120 311 F HN 0.749 nan 8.300 nan 0.000 0.579 312 G N 5.707 114.302 108.800 -0.343 0.000 2.314 312 G HA2 -0.408 3.552 3.960 0.000 0.000 0.292 312 G HA3 -0.408 3.552 3.960 0.000 0.000 0.292 312 G C 0.562 175.411 174.900 -0.085 0.000 1.059 312 G CA 0.637 45.619 45.100 -0.196 0.000 0.982 312 G HN 1.043 nan 8.290 nan 0.000 0.505 313 Y N -0.272 119.941 120.300 -0.144 0.000 2.062 313 Y HA -0.236 4.314 4.550 0.000 0.000 0.276 313 Y C 2.493 178.255 175.900 -0.231 0.000 1.189 313 Y CA 2.607 60.636 58.100 -0.118 0.000 1.130 313 Y CB -0.239 38.185 38.460 -0.059 0.000 0.959 313 Y HN 0.362 nan 8.280 nan 0.000 0.499 314 L N 0.516 121.536 121.223 -0.339 0.000 2.027 314 L HA -0.050 4.290 4.340 0.000 0.000 0.206 314 L C -0.691 175.517 176.870 -1.103 0.000 1.074 314 L CA 1.876 56.283 54.840 -0.722 0.000 0.745 314 L CB -1.862 39.972 42.059 -0.374 0.000 0.898 314 L HN 0.140 nan 8.230 nan 0.000 0.433 315 P HA -0.145 nan 4.420 nan 0.000 0.221 315 P C 1.905 178.988 177.300 -0.362 0.000 1.145 315 P CA 1.131 63.983 63.100 -0.413 0.000 0.795 315 P CB -0.050 31.574 31.700 -0.127 0.000 0.775 316 M N -1.295 118.062 119.600 -0.404 0.000 2.117 316 M HA -0.095 4.385 4.480 0.000 0.000 0.262 316 M C 1.946 178.004 176.300 -0.403 0.000 1.065 316 M CA 1.548 56.627 55.300 -0.367 0.000 1.114 316 M CB -1.467 30.949 32.600 -0.306 0.000 1.361 316 M HN -0.123 nan 8.290 nan 0.000 0.408 317 V N -0.562 118.957 119.914 -0.658 0.000 2.307 317 V HA -0.267 3.853 4.120 0.000 0.000 0.245 317 V C 2.291 178.140 176.094 -0.408 0.000 1.045 317 V CA 1.548 63.414 62.300 -0.723 0.000 1.024 317 V CB -1.084 29.998 31.823 -1.235 0.000 0.651 317 V HN 0.242 nan 8.190 nan 0.000 0.449 318 Y N 1.029 121.126 120.300 -0.339 0.000 2.224 318 Y HA -0.116 4.434 4.550 0.000 0.000 0.289 318 Y C 2.583 178.388 175.900 -0.158 0.000 1.146 318 Y CA 0.624 58.590 58.100 -0.223 0.000 1.182 318 Y CB -1.609 36.749 38.460 -0.169 0.000 0.983 318 Y HN 0.199 nan 8.280 nan 0.000 0.524 319 A N 0.050 122.858 122.820 -0.020 0.000 1.877 319 A HA -0.217 4.104 4.320 0.000 0.000 0.216 319 A C 2.376 179.957 177.584 -0.005 0.000 1.186 319 A CA 1.994 54.008 52.037 -0.039 0.000 0.620 319 A CB -0.826 18.102 19.000 -0.120 0.000 0.822 319 A HN 0.430 nan 8.150 nan 0.000 0.443 320 M N -0.801 118.797 119.600 -0.004 0.000 2.117 320 M HA -0.130 4.350 4.480 0.000 0.000 0.262 320 M C 2.136 178.480 176.300 0.074 0.000 1.065 320 M CA 1.356 56.711 55.300 0.091 0.000 1.114 320 M CB -0.444 32.232 32.600 0.126 0.000 1.361 320 M HN 0.273 nan 8.290 nan 0.000 0.408 321 V N 0.408 120.338 119.914 0.027 0.000 2.295 321 V HA -0.257 3.863 4.120 0.000 0.000 0.246 321 V C 2.638 178.742 176.094 0.016 0.000 1.049 321 V CA 2.023 64.338 62.300 0.027 0.000 1.024 321 V CB -1.228 30.595 31.823 -0.001 0.000 0.648 321 V HN 0.514 nan 8.190 nan 0.000 0.447 322 A N -0.013 122.811 122.820 0.006 0.000 1.883 322 A HA -0.207 4.113 4.320 0.000 0.000 0.217 322 A C 2.186 179.755 177.584 -0.026 0.000 1.186 322 A CA 2.094 54.124 52.037 -0.010 0.000 0.624 322 A CB -0.604 18.389 19.000 -0.012 0.000 0.822 322 A HN 0.499 nan 8.150 nan 0.000 0.444 323 I N -0.293 120.266 120.570 -0.018 0.000 2.208 323 I HA -0.243 3.927 4.170 0.000 0.000 0.245 323 I C 2.693 178.709 176.117 -0.168 0.000 1.097 323 I CA 1.234 62.483 61.300 -0.086 0.000 1.363 323 I CB -0.592 37.442 38.000 0.056 0.000 1.051 323 I HN 0.413 nan 8.210 nan 0.000 0.413 324 G N 0.222 109.009 108.800 -0.022 0.000 2.418 324 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 324 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 324 G C 1.692 176.664 174.900 0.119 0.000 1.158 324 G CA 0.923 46.050 45.100 0.046 0.000 0.771 324 G HN 0.247 nan 8.290 nan 0.000 0.545 325 V N 0.896 120.866 119.914 0.092 0.000 2.270 325 V HA -0.077 4.043 4.120 0.000 0.000 0.245 325 V C 2.903 179.071 176.094 0.122 0.000 1.043 325 V CA 1.369 63.749 62.300 0.135 0.000 1.014 325 V CB -0.494 31.355 31.823 0.044 0.000 0.645 325 V HN 0.321 nan 8.190 nan 0.000 0.447 326 L N 0.747 121.973 121.223 0.005 0.000 2.127 326 L HA -0.120 4.220 4.340 0.000 0.000 0.211 326 L C 2.528 179.335 176.870 -0.106 0.000 1.089 326 L CA 1.611 56.425 54.840 -0.043 0.000 0.757 326 L CB -1.048 40.951 42.059 -0.101 0.000 0.899 326 L HN 0.493 nan 8.230 nan 0.000 0.434 327 G N -1.005 107.663 108.800 -0.219 0.000 2.527 327 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 327 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 327 G C 1.144 175.906 174.900 -0.229 0.000 1.117 327 G CA 0.287 45.215 45.100 -0.286 0.000 0.759 327 G HN 0.302 nan 8.290 nan 0.000 0.556 328 F N -0.351 119.584 119.950 -0.025 0.000 2.727 328 F HA 0.191 4.718 4.527 0.000 0.000 0.302 328 F C 1.815 177.724 175.800 0.182 0.000 1.097 328 F CA 0.110 58.072 58.000 -0.063 0.000 1.330 328 F CB 0.983 39.923 39.000 -0.101 0.000 1.084 328 F HN 0.082 nan 8.300 nan 0.000 0.578 329 V N -2.074 118.044 119.914 0.341 0.000 3.070 329 V HA 0.272 4.392 4.120 0.000 0.000 0.345 329 V C 0.473 176.717 176.094 0.250 0.000 1.403 329 V CA 0.402 62.948 62.300 0.410 0.000 1.155 329 V CB -0.207 31.788 31.823 0.288 0.000 1.140 329 V HN 0.035 nan 8.190 nan 0.000 0.505 330 V N -3.916 116.127 119.914 0.215 0.000 3.398 330 V HA 0.300 4.420 4.120 0.000 0.000 0.298 330 V C 1.636 177.576 176.094 -0.258 0.000 1.496 330 V CA 0.296 62.618 62.300 0.036 0.000 1.044 330 V CB -0.601 31.118 31.823 -0.173 0.000 0.880 330 V HN 0.715 nan 8.190 nan 0.000 0.443 331 W N 2.022 123.289 121.300 -0.054 0.000 2.350 331 W HA 0.114 4.774 4.660 0.000 0.000 0.289 331 W C 1.821 178.038 176.519 -0.503 0.000 1.215 331 W CA 1.641 58.866 57.345 -0.199 0.000 1.236 331 W CB -0.866 28.654 29.460 0.099 0.000 1.130 331 W HN 0.235 nan 8.180 nan 0.000 0.541 332 A N 1.793 123.671 122.820 -1.569 0.000 2.235 332 A HA -0.116 4.204 4.320 0.000 0.000 0.208 332 A C 1.801 178.717 177.584 -1.114 0.000 1.172 332 A CA 1.031 52.231 52.037 -1.395 0.000 0.786 332 A CB -1.807 15.975 19.000 -2.029 0.000 0.804 332 A HN 0.785 nan 8.150 nan 0.000 0.479 333 H N -2.653 115.818 119.070 -0.999 0.000 2.561 333 H HA -0.036 4.520 4.556 0.000 0.000 0.278 333 H C 0.827 175.383 175.328 -1.288 0.000 1.014 333 H CA 0.995 56.181 56.048 -1.437 0.000 1.211 333 H CB -0.345 28.910 29.762 -0.844 0.000 1.365 333 H HN 0.664 nan 8.280 nan 0.000 0.594 334 H N 0.403 119.028 119.070 -0.741 0.000 2.539 334 H HA 0.184 4.741 4.556 0.000 0.000 0.267 334 H C 0.704 175.637 175.328 -0.658 0.000 0.982 334 H CA 0.408 55.953 56.048 -0.838 0.000 1.146 334 H CB 0.488 29.138 29.762 -1.852 0.000 1.382 334 H HN 0.497 nan 8.280 nan 0.000 0.577 335 M N -0.614 118.657 119.600 -0.548 0.000 2.625 335 M HA 0.083 4.563 4.480 0.000 0.000 0.396 335 M C 0.329 176.489 176.300 -0.234 0.000 1.174 335 M CA -0.191 54.904 55.300 -0.343 0.000 0.898 335 M CB 0.666 33.074 32.600 -0.320 0.000 1.450 335 M HN -0.041 nan 8.290 nan 0.000 0.522 336 Y N 0.921 121.056 120.300 -0.274 0.000 2.333 336 Y HA -0.117 4.434 4.550 0.000 0.000 0.290 336 Y C 2.780 178.578 175.900 -0.169 0.000 1.144 336 Y CA 1.731 59.715 58.100 -0.194 0.000 1.228 336 Y CB -0.805 37.555 38.460 -0.167 0.000 0.985 336 Y HN 0.367 nan 8.280 nan 0.000 0.542 337 T N -3.986 110.512 114.554 -0.093 0.000 3.105 337 T HA 0.467 4.817 4.350 0.000 0.000 0.253 337 T C 1.424 176.108 174.700 -0.026 0.000 1.047 337 T CA 0.313 62.377 62.100 -0.060 0.000 0.944 337 T CB -0.090 68.737 68.868 -0.068 0.000 1.016 337 T HN 0.153 nan 8.240 nan 0.000 0.544 338 A N 0.574 123.371 122.820 -0.038 0.000 2.307 338 A HA 0.695 5.015 4.320 0.000 0.000 0.218 338 A C 1.760 179.353 177.584 0.016 0.000 1.228 338 A CA 0.170 52.204 52.037 -0.005 0.000 0.857 338 A CB -0.750 18.229 19.000 -0.034 0.000 0.897 338 A HN 1.320 nan 8.150 nan 0.000 0.495 339 G N -0.966 107.850 108.800 0.027 0.000 2.143 339 G HA2 -0.146 3.814 3.960 0.000 0.000 0.175 339 G HA3 -0.146 3.814 3.960 0.000 0.000 0.175 339 G C 0.025 174.964 174.900 0.066 0.000 1.004 339 G CA -0.136 44.992 45.100 0.047 0.000 0.671 339 G HN 0.334 nan 8.290 nan 0.000 0.512 340 L N 1.987 123.251 121.223 0.067 0.000 2.483 340 L HA 0.384 4.724 4.340 0.000 0.000 0.276 340 L C 1.729 178.657 176.870 0.096 0.000 1.213 340 L CA 0.425 55.327 54.840 0.102 0.000 0.843 340 L CB 0.741 42.866 42.059 0.110 0.000 1.107 340 L HN 0.540 nan 8.230 nan 0.000 0.487 341 S N 2.095 117.860 115.700 0.108 0.000 2.589 341 S HA 0.036 4.506 4.470 0.000 0.000 0.265 341 S C 0.842 175.491 174.600 0.082 0.000 1.342 341 S CA -0.640 57.611 58.200 0.085 0.000 1.005 341 S CB 0.912 64.162 63.200 0.084 0.000 0.909 341 S HN 0.552 nan 8.310 nan 0.000 0.555 342 L N 1.786 123.041 121.223 0.054 0.000 2.083 342 L HA 0.003 4.343 4.340 0.000 0.000 0.209 342 L C 2.473 179.375 176.870 0.053 0.000 1.083 342 L CA 2.242 57.104 54.840 0.037 0.000 0.752 342 L CB -1.700 40.369 42.059 0.017 0.000 0.899 342 L HN 0.977 nan 8.230 nan 0.000 0.433 343 T N -1.005 113.587 114.554 0.064 0.000 2.821 343 T HA -0.176 4.174 4.350 0.000 0.000 0.267 343 T C 1.805 176.583 174.700 0.130 0.000 1.046 343 T CA 1.516 63.659 62.100 0.072 0.000 1.139 343 T CB -0.115 68.784 68.868 0.051 0.000 0.871 343 T HN 0.457 nan 8.240 nan 0.000 0.454 344 Q N 0.857 120.760 119.800 0.172 0.000 2.050 344 Q HA -0.126 4.215 4.340 0.000 0.000 0.202 344 Q C 2.628 178.875 176.000 0.412 0.000 0.980 344 Q CA 1.315 57.306 55.803 0.313 0.000 0.840 344 Q CB -0.196 28.727 28.738 0.309 0.000 0.898 344 Q HN 0.595 nan 8.270 nan 0.000 0.424 345 Q N -0.068 119.890 119.800 0.264 0.000 2.096 345 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 345 Q C 2.272 178.351 176.000 0.131 0.000 0.982 345 Q CA 1.611 57.545 55.803 0.218 0.000 0.850 345 Q CB -0.038 28.718 28.738 0.030 0.000 0.901 345 Q HN 0.246 nan 8.270 nan 0.000 0.422 346 S N 0.204 115.952 115.700 0.079 0.000 2.355 346 S HA -0.182 4.288 4.470 0.000 0.000 0.222 346 S C 1.651 176.265 174.600 0.024 0.000 1.031 346 S CA 1.286 59.501 58.200 0.025 0.000 0.993 346 S CB -0.461 62.751 63.200 0.020 0.000 0.859 346 S HN 0.472 nan 8.310 nan 0.000 0.453 347 Y N 1.651 121.933 120.300 -0.029 0.000 2.114 347 Y HA -0.150 4.400 4.550 0.000 0.000 0.284 347 Y C 1.789 177.576 175.900 -0.189 0.000 1.143 347 Y CA 1.353 59.358 58.100 -0.158 0.000 1.135 347 Y CB -0.699 37.584 38.460 -0.294 0.000 0.980 347 Y HN 0.172 nan 8.280 nan 0.000 0.499 348 F N 0.115 119.870 119.950 -0.326 0.000 2.234 348 F HA -0.224 4.303 4.527 0.000 0.000 0.299 348 F C 2.718 178.394 175.800 -0.206 0.000 1.087 348 F CA 1.744 59.506 58.000 -0.398 0.000 1.340 348 F CB -0.603 38.299 39.000 -0.163 0.000 1.031 348 F HN 0.199 nan 8.300 nan 0.000 0.500 349 M N -0.337 119.331 119.600 0.114 0.000 2.067 349 M HA -0.266 4.214 4.480 0.000 0.000 0.260 349 M C 2.115 178.368 176.300 -0.078 0.000 1.069 349 M CA 1.919 57.258 55.300 0.066 0.000 1.117 349 M CB -0.199 32.380 32.600 -0.035 0.000 1.334 349 M HN 0.166 nan 8.290 nan 0.000 0.407 350 M N -0.097 119.402 119.600 -0.168 0.000 2.175 350 M HA -0.092 4.388 4.480 0.000 0.000 0.264 350 M C 2.383 178.547 176.300 -0.228 0.000 1.063 350 M CA 1.543 56.739 55.300 -0.174 0.000 1.119 350 M CB -0.581 31.929 32.600 -0.149 0.000 1.377 350 M HN 0.533 nan 8.290 nan 0.000 0.415 351 A N 0.162 122.727 122.820 -0.424 0.000 1.877 351 A HA -0.149 4.171 4.320 0.000 0.000 0.216 351 A C 2.186 179.649 177.584 -0.201 0.000 1.186 351 A CA 2.253 54.053 52.037 -0.394 0.000 0.620 351 A CB -1.210 17.343 19.000 -0.745 0.000 0.822 351 A HN 0.449 nan 8.150 nan 0.000 0.443 352 T N 0.300 114.772 114.554 -0.137 0.000 2.759 352 T HA -0.191 4.159 4.350 0.000 0.000 0.269 352 T C 1.884 176.554 174.700 -0.051 0.000 1.042 352 T CA 1.910 63.988 62.100 -0.037 0.000 1.140 352 T CB -0.368 68.540 68.868 0.067 0.000 0.864 352 T HN 0.467 nan 8.240 nan 0.000 0.455 353 M N 0.631 120.193 119.600 -0.065 0.000 2.159 353 M HA -0.074 4.406 4.480 0.000 0.000 0.263 353 M C 2.378 178.651 176.300 -0.046 0.000 1.063 353 M CA 1.038 56.306 55.300 -0.054 0.000 1.110 353 M CB -0.615 31.951 32.600 -0.057 0.000 1.374 353 M HN 0.078 nan 8.290 nan 0.000 0.411 354 V N 0.757 120.635 119.914 -0.060 0.000 2.469 354 V HA -0.271 3.849 4.120 0.000 0.000 0.251 354 V C 2.138 178.211 176.094 -0.034 0.000 1.064 354 V CA 1.666 63.937 62.300 -0.049 0.000 1.066 354 V CB -0.777 31.010 31.823 -0.060 0.000 0.667 354 V HN 0.477 nan 8.190 nan 0.000 0.461 355 I N 0.614 121.165 120.570 -0.032 0.000 2.423 355 I HA -0.252 3.918 4.170 0.000 0.000 0.254 355 I C 2.611 178.744 176.117 0.028 0.000 1.151 355 I CA 1.281 62.577 61.300 -0.007 0.000 1.421 355 I CB -0.564 37.444 38.000 0.014 0.000 1.079 355 I HN 0.304 nan 8.210 nan 0.000 0.431 356 A N 0.499 123.327 122.820 0.013 0.000 1.978 356 A HA -0.153 4.167 4.320 0.000 0.000 0.220 356 A C 2.411 179.987 177.584 -0.014 0.000 1.170 356 A CA 1.789 53.829 52.037 0.004 0.000 0.636 356 A CB -0.817 18.177 19.000 -0.012 0.000 0.810 356 A HN 0.262 nan 8.150 nan 0.000 0.448 357 V N 0.999 120.906 119.914 -0.011 0.000 2.229 357 V HA -0.149 3.971 4.120 0.000 0.000 0.243 357 V C 0.049 176.126 176.094 -0.028 0.000 1.042 357 V CA 2.266 64.561 62.300 -0.009 0.000 1.000 357 V CB -1.755 30.067 31.823 -0.003 0.000 0.637 357 V HN 0.438 nan 8.190 nan 0.000 0.446 358 P HA -0.126 nan 4.420 nan 0.000 0.217 358 P C 1.682 178.927 177.300 -0.092 0.000 1.150 358 P CA 1.731 64.804 63.100 -0.045 0.000 0.832 358 P CB -0.296 31.392 31.700 -0.021 0.000 0.787 359 T N -0.273 114.255 114.554 -0.043 0.000 2.708 359 T HA -0.088 4.262 4.350 0.000 0.000 0.266 359 T C 2.185 176.762 174.700 -0.206 0.000 1.037 359 T CA 1.832 63.902 62.100 -0.050 0.000 1.146 359 T CB -1.282 67.684 68.868 0.163 0.000 0.865 359 T HN 0.203 nan 8.240 nan 0.000 0.435 360 G N 1.305 109.957 108.800 -0.246 0.000 2.442 360 G HA2 -0.155 3.805 3.960 0.000 0.000 0.219 360 G HA3 -0.155 3.805 3.960 0.000 0.000 0.219 360 G C 1.537 176.047 174.900 -0.650 0.000 1.141 360 G CA 0.524 45.280 45.100 -0.573 0.000 0.763 360 G HN 0.493 nan 8.290 nan 0.000 0.554 361 I N 0.493 120.906 120.570 -0.262 0.000 2.208 361 I HA -0.226 3.944 4.170 0.000 0.000 0.245 361 I C 2.833 178.775 176.117 -0.291 0.000 1.097 361 I CA 1.439 62.658 61.300 -0.134 0.000 1.363 361 I CB -0.108 37.848 38.000 -0.073 0.000 1.051 361 I HN 0.158 nan 8.210 nan 0.000 0.413 362 K N 0.362 120.468 120.400 -0.489 0.000 2.025 362 K HA -0.128 4.192 4.320 0.000 0.000 0.207 362 K C 2.111 178.162 176.600 -0.915 0.000 1.049 362 K CA 1.188 56.922 56.287 -0.922 0.000 0.933 362 K CB -0.130 31.639 32.500 -1.218 0.000 0.714 362 K HN 0.203 nan 8.250 nan 0.000 0.438 363 I N 0.847 121.128 120.570 -0.482 0.000 2.163 363 I HA -0.247 3.923 4.170 0.000 0.000 0.243 363 I C 2.279 178.405 176.117 0.017 0.000 1.085 363 I CA 1.650 62.915 61.300 -0.060 0.000 1.347 363 I CB -1.028 36.874 38.000 -0.163 0.000 1.044 363 I HN 0.012 nan 8.210 nan 0.000 0.408 364 F N 1.444 121.362 119.950 -0.053 0.000 2.146 364 F HA -0.110 4.417 4.527 0.000 0.000 0.298 364 F C 2.857 178.571 175.800 -0.143 0.000 1.096 364 F CA 0.912 58.860 58.000 -0.086 0.000 1.275 364 F CB -1.574 37.358 39.000 -0.113 0.000 1.008 364 F HN 0.010 nan 8.300 nan 0.000 0.480 365 S N -1.010 114.684 115.700 -0.010 0.000 2.399 365 S HA -0.179 4.292 4.470 0.000 0.000 0.231 365 S C 1.873 176.498 174.600 0.041 0.000 1.022 365 S CA 0.908 59.086 58.200 -0.036 0.000 0.983 365 S CB -0.411 62.737 63.200 -0.086 0.000 0.803 365 S HN 0.382 nan 8.310 nan 0.000 0.480 366 W N 1.620 122.961 121.300 0.069 0.000 2.381 366 W HA 0.124 4.784 4.660 0.000 0.000 0.301 366 W C 1.996 178.566 176.519 0.085 0.000 1.205 366 W CA 0.031 57.421 57.345 0.075 0.000 1.285 366 W CB -1.076 28.427 29.460 0.072 0.000 1.133 366 W HN 0.312 nan 8.180 nan 0.000 0.521 367 I N 0.437 121.191 120.570 0.307 0.000 2.179 367 I HA -0.266 3.905 4.170 0.000 0.000 0.242 367 I C 2.585 178.800 176.117 0.164 0.000 1.088 367 I CA 1.604 63.047 61.300 0.238 0.000 1.357 367 I CB -1.019 37.119 38.000 0.229 0.000 1.051 367 I HN -0.194 nan 8.210 nan 0.000 0.409 368 A N 0.446 123.238 122.820 -0.048 0.000 1.972 368 A HA -0.188 4.132 4.320 0.000 0.000 0.219 368 A C 2.365 179.954 177.584 0.007 0.000 1.169 368 A CA 2.301 54.173 52.037 -0.275 0.000 0.635 368 A CB -1.054 17.273 19.000 -1.121 0.000 0.810 368 A HN 0.411 nan 8.150 nan 0.000 0.446 369 T N 0.222 114.862 114.554 0.144 0.000 2.708 369 T HA -0.175 4.176 4.350 0.000 0.000 0.266 369 T C 1.902 176.710 174.700 0.181 0.000 1.037 369 T CA 1.871 64.108 62.100 0.228 0.000 1.146 369 T CB -0.325 68.699 68.868 0.260 0.000 0.865 369 T HN 0.488 nan 8.240 nan 0.000 0.435 370 M N -0.621 119.088 119.600 0.182 0.000 2.229 370 M HA 0.016 4.496 4.480 0.000 0.000 0.264 370 M C 0.971 177.352 176.300 0.136 0.000 1.063 370 M CA 0.632 56.011 55.300 0.132 0.000 1.114 370 M CB -0.076 32.603 32.600 0.132 0.000 1.387 370 M HN 0.311 nan 8.290 nan 0.000 0.420 371 W N 1.765 123.063 121.300 -0.002 0.000 2.397 371 W HA 0.150 4.810 4.660 0.000 0.000 0.327 371 W C 0.854 177.373 176.519 -0.000 0.000 1.421 371 W CA 1.594 58.930 57.345 -0.015 0.000 1.288 371 W CB 0.278 29.708 29.460 -0.050 0.000 1.312 371 W HN 0.580 nan 8.180 nan 0.000 0.559 372 G N 3.638 112.370 108.800 -0.113 0.000 2.179 372 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 372 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 372 G C 0.389 175.269 174.900 -0.032 0.000 0.977 372 G CA 0.045 45.124 45.100 -0.035 0.000 0.641 372 G HN 0.910 nan 8.290 nan 0.000 0.533 373 G N -0.715 108.057 108.800 -0.047 0.000 2.508 373 G HA2 0.539 4.499 3.960 0.000 0.000 0.278 373 G HA3 0.539 4.499 3.960 0.000 0.000 0.278 373 G C 0.250 175.102 174.900 -0.081 0.000 1.389 373 G CA 0.709 45.774 45.100 -0.058 0.000 1.050 373 G HN 1.244 nan 8.290 nan 0.000 0.522 374 S N -0.443 115.205 115.700 -0.087 0.000 2.395 374 S HA 0.429 4.899 4.470 0.000 0.000 0.207 374 S C -0.271 174.298 174.600 -0.052 0.000 1.454 374 S CA -0.646 57.513 58.200 -0.068 0.000 1.211 374 S CB -0.399 62.764 63.200 -0.061 0.000 1.093 374 S HN 0.372 nan 8.310 nan 0.000 0.472 375 I N 3.504 124.047 120.570 -0.045 0.000 2.352 375 I HA 0.309 4.480 4.170 0.000 0.000 0.290 375 I C 0.530 176.646 176.117 -0.003 0.000 1.036 375 I CA -0.168 61.116 61.300 -0.026 0.000 1.336 375 I CB 0.967 38.941 38.000 -0.043 0.000 1.407 375 I HN 0.549 nan 8.210 nan 0.000 0.497 376 E N 7.037 127.264 120.200 0.045 0.000 2.113 376 E HA 0.306 4.656 4.350 0.000 0.000 0.273 376 E C -0.506 176.085 176.600 -0.015 0.000 0.924 376 E CA -0.604 55.838 56.400 0.071 0.000 0.764 376 E CB 1.068 30.883 29.700 0.192 0.000 1.104 376 E HN 0.608 nan 8.360 nan 0.000 0.406 377 L N 5.371 126.548 121.223 -0.076 0.000 2.955 377 L HA 0.168 4.509 4.340 0.000 0.000 0.238 377 L C 0.528 177.248 176.870 -0.249 0.000 1.359 377 L CA -0.162 54.565 54.840 -0.189 0.000 1.214 377 L CB -0.525 41.451 42.059 -0.139 0.000 1.600 377 L HN 0.270 nan 8.230 nan 0.000 0.442 378 K N -0.174 120.031 120.400 -0.325 0.000 2.230 378 K HA 0.116 4.436 4.320 0.000 0.000 0.253 378 K C 1.371 177.669 176.600 -0.502 0.000 1.008 378 K CA -0.099 56.002 56.287 -0.310 0.000 0.910 378 K CB 0.843 33.178 32.500 -0.275 0.000 0.994 378 K HN 0.063 nan 8.250 nan 0.000 0.495 379 T N 2.499 116.867 114.554 -0.310 0.000 2.624 379 T HA -0.144 4.206 4.350 0.000 0.000 0.268 379 T C -1.059 173.342 174.700 -0.499 0.000 1.041 379 T CA 1.774 63.584 62.100 -0.482 0.000 1.159 379 T CB -0.890 67.684 68.868 -0.491 0.000 0.863 379 T HN 0.483 nan 8.240 nan 0.000 0.434 380 P HA -0.058 nan 4.420 nan 0.000 0.217 380 P C 1.533 178.530 177.300 -0.505 0.000 1.148 380 P CA 0.963 63.875 63.100 -0.314 0.000 0.828 380 P CB -0.099 31.397 31.700 -0.340 0.000 0.783 381 M N -1.352 117.740 119.600 -0.845 0.000 2.254 381 M HA -0.030 4.450 4.480 0.000 0.000 0.265 381 M C 1.785 177.754 176.300 -0.552 0.000 1.066 381 M CA 1.566 56.484 55.300 -0.637 0.000 1.123 381 M CB -1.253 30.949 32.600 -0.663 0.000 1.388 381 M HN -0.202 nan 8.290 nan 0.000 0.425 382 L N -1.542 119.199 121.223 -0.804 0.000 1.989 382 L HA -0.238 4.102 4.340 0.000 0.000 0.211 382 L C 2.209 178.407 176.870 -1.120 0.000 1.071 382 L CA 1.786 55.837 54.840 -1.314 0.000 0.749 382 L CB -0.994 39.780 42.059 -2.142 0.000 0.890 382 L HN 0.411 nan 8.230 nan 0.000 0.431 383 W N -0.269 120.632 121.300 -0.665 0.000 2.335 383 W HA -0.228 4.432 4.660 0.000 0.000 0.311 383 W C 2.749 179.314 176.519 0.076 0.000 1.213 383 W CA 1.000 58.264 57.345 -0.135 0.000 1.274 383 W CB -0.460 28.915 29.460 -0.142 0.000 1.148 383 W HN 0.128 nan 8.180 nan 0.000 0.498 384 A N 0.042 122.907 122.820 0.075 0.000 1.933 384 A HA -0.151 4.169 4.320 0.000 0.000 0.218 384 A C 1.935 179.570 177.584 0.084 0.000 1.175 384 A CA 1.463 53.497 52.037 -0.006 0.000 0.628 384 A CB -0.967 17.899 19.000 -0.224 0.000 0.814 384 A HN 0.318 nan 8.150 nan 0.000 0.444 385 L N -0.844 120.383 121.223 0.007 0.000 2.109 385 L HA -0.056 4.284 4.340 0.000 0.000 0.207 385 L C 2.828 179.849 176.870 0.251 0.000 1.086 385 L CA 0.855 55.735 54.840 0.066 0.000 0.760 385 L CB -0.817 41.200 42.059 -0.070 0.000 0.910 385 L HN 0.476 nan 8.230 nan 0.000 0.437 386 G N 0.076 109.102 108.800 0.376 0.000 2.459 386 G HA2 -0.353 3.607 3.960 0.000 0.000 0.217 386 G HA3 -0.353 3.607 3.960 0.000 0.000 0.217 386 G C 1.497 176.737 174.900 0.566 0.000 1.183 386 G CA 0.811 46.347 45.100 0.726 0.000 0.776 386 G HN 0.290 nan 8.290 nan 0.000 0.552 387 F N 1.433 121.640 119.950 0.429 0.000 2.063 387 F HA -0.175 4.352 4.527 0.000 0.000 0.298 387 F C 2.559 178.481 175.800 0.204 0.000 1.109 387 F CA 1.742 59.877 58.000 0.225 0.000 1.212 387 F CB -0.316 38.761 39.000 0.128 0.000 0.973 387 F HN 0.069 nan 8.300 nan 0.000 0.480 388 L N -1.038 120.403 121.223 0.363 0.000 2.013 388 L HA -0.251 4.089 4.340 0.000 0.000 0.212 388 L C 2.451 179.473 176.870 0.253 0.000 1.073 388 L CA 1.826 56.847 54.840 0.303 0.000 0.753 388 L CB -1.022 41.226 42.059 0.315 0.000 0.890 388 L HN 0.308 nan 8.230 nan 0.000 0.432 389 F N 0.569 120.608 119.950 0.149 0.000 2.128 389 F HA -0.108 4.419 4.527 0.000 0.000 0.295 389 F C 2.117 177.962 175.800 0.073 0.000 1.100 389 F CA 1.369 59.450 58.000 0.134 0.000 1.260 389 F CB -0.188 38.933 39.000 0.202 0.000 1.009 389 F HN -0.160 nan 8.300 nan 0.000 0.476 390 L N -1.230 119.892 121.223 -0.169 0.000 2.131 390 L HA -0.103 4.237 4.340 0.000 0.000 0.206 390 L C 2.368 179.086 176.870 -0.253 0.000 1.087 390 L CA 0.938 55.597 54.840 -0.302 0.000 0.767 390 L CB -0.928 40.976 42.059 -0.258 0.000 0.917 390 L HN 0.166 nan 8.230 nan 0.000 0.441 391 F N 1.186 120.852 119.950 -0.472 0.000 2.171 391 F HA -0.237 4.290 4.527 0.000 0.000 0.300 391 F C 2.434 178.069 175.800 -0.275 0.000 1.090 391 F CA 1.928 59.635 58.000 -0.489 0.000 1.293 391 F CB -0.379 38.053 39.000 -0.946 0.000 1.013 391 F HN -0.051 nan 8.300 nan 0.000 0.486 392 T N -0.028 114.403 114.554 -0.205 0.000 2.746 392 T HA -0.174 4.176 4.350 0.000 0.000 0.267 392 T C 2.200 176.706 174.700 -0.324 0.000 1.039 392 T CA 1.630 63.605 62.100 -0.209 0.000 1.142 392 T CB -0.709 68.125 68.868 -0.057 0.000 0.866 392 T HN 0.120 nan 8.240 nan 0.000 0.444 393 V N 1.486 121.144 119.914 -0.426 0.000 2.255 393 V HA -0.163 3.957 4.120 0.000 0.000 0.247 393 V C 2.880 178.694 176.094 -0.467 0.000 1.051 393 V CA 2.130 64.126 62.300 -0.507 0.000 1.018 393 V CB -1.403 29.972 31.823 -0.746 0.000 0.641 393 V HN 0.609 nan 8.190 nan 0.000 0.445 394 G N -0.294 108.253 108.800 -0.422 0.000 2.418 394 G HA2 -0.135 3.825 3.960 0.000 0.000 0.217 394 G HA3 -0.135 3.825 3.960 0.000 0.000 0.217 394 G C 1.613 176.350 174.900 -0.272 0.000 1.158 394 G CA 0.927 45.830 45.100 -0.328 0.000 0.771 394 G HN 0.603 nan 8.290 nan 0.000 0.545 395 G N 0.686 109.188 108.800 -0.497 0.000 2.418 395 G HA2 -0.131 3.829 3.960 0.000 0.000 0.217 395 G HA3 -0.131 3.829 3.960 0.000 0.000 0.217 395 G C 1.951 176.733 174.900 -0.198 0.000 1.158 395 G CA 1.993 46.864 45.100 -0.382 0.000 0.771 395 G HN 0.785 nan 8.290 nan 0.000 0.545 396 V N -0.000 119.793 119.914 -0.201 0.000 2.548 396 V HA -0.091 4.029 4.120 0.000 0.000 0.249 396 V C 2.834 178.851 176.094 -0.128 0.000 1.055 396 V CA 2.429 64.643 62.300 -0.142 0.000 1.065 396 V CB -1.311 30.437 31.823 -0.126 0.000 0.681 396 V HN 0.450 nan 8.190 nan 0.000 0.462 397 T N -1.551 112.912 114.554 -0.151 0.000 2.951 397 T HA 0.050 4.400 4.350 0.000 0.000 0.268 397 T C 2.034 176.611 174.700 -0.206 0.000 1.073 397 T CA 1.311 63.339 62.100 -0.119 0.000 1.134 397 T CB -0.858 67.866 68.868 -0.240 0.000 0.884 397 T HN 0.634 nan 8.240 nan 0.000 0.479 398 G N 2.037 110.642 108.800 -0.325 0.000 2.440 398 G HA2 -0.096 3.864 3.960 0.000 0.000 0.218 398 G HA3 -0.096 3.864 3.960 0.000 0.000 0.218 398 G C 1.497 176.215 174.900 -0.302 0.000 1.154 398 G CA 0.762 45.508 45.100 -0.588 0.000 0.767 398 G HN 0.462 nan 8.290 nan 0.000 0.552 399 I N 0.935 121.403 120.570 -0.170 0.000 2.226 399 I HA -0.116 4.054 4.170 0.000 0.000 0.245 399 I C 2.975 179.045 176.117 -0.079 0.000 1.100 399 I CA 0.711 61.946 61.300 -0.108 0.000 1.374 399 I CB -1.064 36.891 38.000 -0.075 0.000 1.057 399 I HN 0.037 nan 8.210 nan 0.000 0.413 400 V N 1.282 121.166 119.914 -0.051 0.000 2.287 400 V HA -0.277 3.843 4.120 0.000 0.000 0.248 400 V C 2.585 178.691 176.094 0.019 0.000 1.053 400 V CA 1.654 63.959 62.300 0.008 0.000 1.027 400 V CB -0.649 31.224 31.823 0.082 0.000 0.646 400 V HN 0.340 nan 8.190 nan 0.000 0.447 401 L N 0.925 122.138 121.223 -0.017 0.000 2.201 401 L HA -0.128 4.212 4.340 0.000 0.000 0.212 401 L C 2.654 179.534 176.870 0.017 0.000 1.105 401 L CA 1.551 56.391 54.840 0.001 0.000 0.775 401 L CB -0.719 41.267 42.059 -0.121 0.000 0.913 401 L HN 0.561 nan 8.230 nan 0.000 0.440 402 S N -1.271 114.394 115.700 -0.058 0.000 2.447 402 S HA -0.124 4.346 4.470 0.000 0.000 0.233 402 S C 1.097 175.738 174.600 0.068 0.000 1.006 402 S CA 0.389 58.605 58.200 0.027 0.000 0.957 402 S CB -0.291 62.872 63.200 -0.062 0.000 0.773 402 S HN 0.334 nan 8.310 nan 0.000 0.507 403 Q N 1.492 121.277 119.800 -0.026 0.000 2.359 403 Q HA 0.453 4.793 4.340 0.000 0.000 0.249 403 Q C 1.265 177.137 176.000 -0.213 0.000 1.181 403 Q CA 0.443 56.178 55.803 -0.112 0.000 0.897 403 Q CB 0.408 29.097 28.738 -0.082 0.000 1.424 403 Q HN 0.510 nan 8.270 nan 0.000 0.478 404 A N 2.945 125.456 122.820 -0.515 0.000 1.986 404 A HA -0.255 4.065 4.320 0.000 0.000 0.220 404 A C 2.125 179.490 177.584 -0.364 0.000 1.171 404 A CA 2.144 53.675 52.037 -0.843 0.000 0.640 404 A CB -0.281 17.996 19.000 -1.206 0.000 0.811 404 A HN 0.711 nan 8.150 nan 0.000 0.451 405 S N -0.793 114.757 115.700 -0.250 0.000 2.402 405 S HA -0.061 4.409 4.470 0.000 0.000 0.229 405 S C 1.627 176.146 174.600 -0.135 0.000 1.021 405 S CA 1.331 59.434 58.200 -0.161 0.000 0.974 405 S CB -0.563 62.559 63.200 -0.131 0.000 0.800 405 S HN 0.271 nan 8.310 nan 0.000 0.484 406 V N 2.086 121.917 119.914 -0.139 0.000 2.599 406 V HA -0.015 4.106 4.120 0.000 0.000 0.245 406 V C 2.401 178.424 176.094 -0.119 0.000 1.046 406 V CA 1.567 63.766 62.300 -0.168 0.000 1.065 406 V CB -0.882 30.851 31.823 -0.149 0.000 0.703 406 V HN 0.440 nan 8.190 nan 0.000 0.464 407 D N 0.394 120.793 120.400 -0.001 0.000 2.228 407 D HA -0.239 4.401 4.640 0.000 0.000 0.203 407 D C 2.173 178.546 176.300 0.122 0.000 0.988 407 D CA 1.049 55.130 54.000 0.136 0.000 0.864 407 D CB -0.049 40.893 40.800 0.238 0.000 0.928 407 D HN 0.180 nan 8.370 nan 0.000 0.469 408 R N -1.111 119.405 120.500 0.025 0.000 2.103 408 R HA -0.209 4.131 4.340 0.000 0.000 0.242 408 R C 1.978 178.312 176.300 0.057 0.000 1.142 408 R CA 1.500 57.621 56.100 0.034 0.000 0.960 408 R CB -0.781 29.512 30.300 -0.010 0.000 0.858 408 R HN 0.376 nan 8.270 nan 0.000 0.439 409 Y N -1.331 118.888 120.300 -0.135 0.000 2.206 409 Y HA -0.114 4.436 4.550 0.000 0.000 0.292 409 Y C 1.324 177.166 175.900 -0.096 0.000 1.123 409 Y CA 1.410 59.400 58.100 -0.184 0.000 1.142 409 Y CB -0.096 38.123 38.460 -0.402 0.000 1.006 409 Y HN 0.067 nan 8.280 nan 0.000 0.518 410 Y N -0.829 119.596 120.300 0.207 0.000 2.475 410 Y HA -0.005 4.545 4.550 0.000 0.000 0.289 410 Y C 0.917 176.878 175.900 0.102 0.000 1.121 410 Y CA 0.617 58.793 58.100 0.127 0.000 1.257 410 Y CB -1.319 37.137 38.460 -0.007 0.000 1.026 410 Y HN 0.103 nan 8.280 nan 0.000 0.555 411 H N 1.654 120.839 119.070 0.191 0.000 3.094 411 H HA -0.015 4.542 4.556 0.000 0.000 0.320 411 H C 0.667 176.050 175.328 0.092 0.000 1.000 411 H CA 0.617 56.743 56.048 0.130 0.000 1.413 411 H CB -0.021 29.804 29.762 0.105 0.000 1.405 411 H HN 0.231 nan 8.280 nan 0.000 0.586 412 D N 2.400 122.419 120.400 -0.636 0.000 2.945 412 D HA -0.203 4.437 4.640 0.000 0.000 0.225 412 D C -0.291 175.898 176.300 -0.185 0.000 1.158 412 D CA 1.391 55.137 54.000 -0.424 0.000 0.805 412 D CB -0.877 39.691 40.800 -0.387 0.000 1.098 412 D HN 0.755 nan 8.370 nan 0.000 0.426 413 T N -4.000 110.501 114.554 -0.088 0.000 2.938 413 T HA 0.433 4.783 4.350 0.000 0.000 0.285 413 T C 1.145 175.809 174.700 -0.061 0.000 1.028 413 T CA -0.689 61.395 62.100 -0.026 0.000 1.005 413 T CB 0.915 69.852 68.868 0.116 0.000 1.157 413 T HN -0.065 nan 8.240 nan 0.000 0.550 414 Y N -0.640 119.605 120.300 -0.091 0.000 2.574 414 Y HA 0.022 4.572 4.550 0.000 0.000 0.294 414 Y C 2.044 177.839 175.900 -0.175 0.000 1.142 414 Y CA 0.828 58.844 58.100 -0.140 0.000 1.314 414 Y CB -0.597 37.750 38.460 -0.189 0.000 0.991 414 Y HN 0.823 nan 8.280 nan 0.000 0.555 415 Y N -0.740 119.486 120.300 -0.123 0.000 2.224 415 Y HA -0.256 4.294 4.550 0.000 0.000 0.289 415 Y C 2.199 177.911 175.900 -0.314 0.000 1.146 415 Y CA 1.510 59.423 58.100 -0.311 0.000 1.182 415 Y CB -0.307 37.832 38.460 -0.536 0.000 0.983 415 Y HN -0.094 nan 8.280 nan 0.000 0.524 416 V N -1.218 118.675 119.914 -0.034 0.000 2.358 416 V HA -0.294 3.826 4.120 0.000 0.000 0.246 416 V C 2.284 178.207 176.094 -0.285 0.000 1.047 416 V CA 1.639 63.935 62.300 -0.006 0.000 1.035 416 V CB -0.835 31.063 31.823 0.125 0.000 0.658 416 V HN 0.303 nan 8.190 nan 0.000 0.452 417 V N 0.590 120.188 119.914 -0.527 0.000 2.324 417 V HA -0.311 3.809 4.120 0.000 0.000 0.250 417 V C 2.722 178.311 176.094 -0.842 0.000 1.060 417 V CA 2.185 63.858 62.300 -1.046 0.000 1.042 417 V CB -1.270 30.141 31.823 -0.686 0.000 0.650 417 V HN 0.566 nan 8.190 nan 0.000 0.450 418 A N -0.198 122.255 122.820 -0.612 0.000 1.877 418 A HA -0.292 4.028 4.320 0.000 0.000 0.216 418 A C 2.124 179.372 177.584 -0.562 0.000 1.186 418 A CA 2.272 53.905 52.037 -0.673 0.000 0.620 418 A CB -0.880 17.313 19.000 -1.344 0.000 0.822 418 A HN 0.781 nan 8.150 nan 0.000 0.443 419 H N 0.258 118.947 119.070 -0.636 0.000 2.265 419 H HA -0.231 4.325 4.556 0.000 0.000 0.295 419 H C 1.647 176.804 175.328 -0.285 0.000 1.084 419 H CA 2.669 58.474 56.048 -0.405 0.000 1.261 419 H CB -0.730 28.852 29.762 -0.301 0.000 1.360 419 H HN 0.603 nan 8.280 nan 0.000 0.487 420 F N -1.154 118.417 119.950 -0.632 0.000 2.456 420 F HA 0.107 4.634 4.527 0.000 0.000 0.298 420 F C 1.892 177.256 175.800 -0.728 0.000 1.104 420 F CA 0.968 58.504 58.000 -0.772 0.000 1.435 420 F CB -1.009 37.696 39.000 -0.492 0.000 1.078 420 F HN 0.199 nan 8.300 nan 0.000 0.546 421 H N -1.572 117.057 119.070 -0.734 0.000 2.428 421 H HA -0.012 4.544 4.556 0.000 0.000 0.296 421 H C 1.592 176.442 175.328 -0.797 0.000 1.062 421 H CA 1.977 57.472 56.048 -0.921 0.000 1.350 421 H CB -0.454 28.156 29.762 -1.921 0.000 1.403 421 H HN 0.248 nan 8.280 nan 0.000 0.533 422 Y N 0.332 120.294 120.300 -0.565 0.000 2.114 422 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 422 Y C 2.646 178.307 175.900 -0.397 0.000 1.143 422 Y CA 1.610 59.447 58.100 -0.438 0.000 1.135 422 Y CB -0.488 37.742 38.460 -0.384 0.000 0.980 422 Y HN 0.137 nan 8.280 nan 0.000 0.499 423 V N -2.635 117.100 119.914 -0.300 0.000 2.626 423 V HA -0.250 3.870 4.120 0.000 0.000 0.252 423 V C 1.755 177.799 176.094 -0.084 0.000 1.067 423 V CA 1.866 64.048 62.300 -0.197 0.000 1.081 423 V CB -0.583 31.055 31.823 -0.309 0.000 0.686 423 V HN 0.402 nan 8.190 nan 0.000 0.468 424 M N 0.170 119.642 119.600 -0.213 0.000 2.738 424 M HA 0.090 4.571 4.480 0.000 0.000 0.256 424 M C 2.427 178.644 176.300 -0.138 0.000 1.253 424 M CA 1.470 56.659 55.300 -0.186 0.000 1.223 424 M CB -0.104 32.330 32.600 -0.276 0.000 1.263 424 M HN 0.367 nan 8.290 nan 0.000 0.521 425 S N 0.164 115.746 115.700 -0.196 0.000 2.496 425 S HA 0.136 4.606 4.470 0.000 0.000 0.224 425 S C 1.361 175.953 174.600 -0.014 0.000 0.996 425 S CA 0.531 58.687 58.200 -0.074 0.000 0.927 425 S CB 0.246 63.406 63.200 -0.068 0.000 0.774 425 S HN 0.284 nan 8.310 nan 0.000 0.524 426 L N 0.357 121.435 121.223 -0.242 0.000 2.906 426 L HA 0.403 4.744 4.340 0.000 0.000 0.255 426 L C 1.420 177.985 176.870 -0.509 0.000 1.166 426 L CA 0.630 55.130 54.840 -0.565 0.000 0.977 426 L CB -0.133 41.495 42.059 -0.717 0.000 1.313 426 L HN 0.416 nan 8.230 nan 0.000 0.549 427 G N -0.643 108.093 108.800 -0.106 0.000 2.446 427 G HA2 0.225 4.186 3.960 0.000 0.000 0.202 427 G HA3 0.225 4.186 3.960 0.000 0.000 0.202 427 G C 1.379 176.538 174.900 0.431 0.000 1.842 427 G CA 0.718 45.875 45.100 0.095 0.000 0.703 427 G HN 0.097 nan 8.290 nan 0.000 0.731 428 A N 0.135 123.107 122.820 0.253 0.000 1.917 428 A HA 0.002 4.322 4.320 0.000 0.000 0.219 428 A C 2.515 180.151 177.584 0.087 0.000 1.182 428 A CA 2.341 54.463 52.037 0.142 0.000 0.633 428 A CB -0.862 18.131 19.000 -0.013 0.000 0.819 428 A HN 0.431 nan 8.150 nan 0.000 0.448 429 V N -1.417 118.541 119.914 0.072 0.000 2.515 429 V HA -0.190 3.930 4.120 0.000 0.000 0.250 429 V C 2.259 178.352 176.094 -0.001 0.000 1.058 429 V CA 1.736 63.999 62.300 -0.063 0.000 1.064 429 V CB -0.891 30.908 31.823 -0.041 0.000 0.675 429 V HN 0.543 nan 8.190 nan 0.000 0.461 430 F N 1.438 121.438 119.950 0.083 0.000 2.171 430 F HA -0.018 4.509 4.527 0.000 0.000 0.300 430 F C 2.364 178.216 175.800 0.085 0.000 1.090 430 F CA 1.165 59.325 58.000 0.267 0.000 1.293 430 F CB -1.371 37.962 39.000 0.555 0.000 1.013 430 F HN 0.202 nan 8.300 nan 0.000 0.486 431 G N 0.179 109.101 108.800 0.203 0.000 2.440 431 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 431 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 431 G C 1.883 176.717 174.900 -0.109 0.000 1.154 431 G CA 0.982 46.034 45.100 -0.080 0.000 0.767 431 G HN 0.353 nan 8.290 nan 0.000 0.552 432 I N -0.198 120.305 120.570 -0.112 0.000 2.179 432 I HA -0.137 4.033 4.170 0.000 0.000 0.242 432 I C 2.451 178.471 176.117 -0.160 0.000 1.088 432 I CA 0.961 62.209 61.300 -0.086 0.000 1.357 432 I CB -0.268 37.580 38.000 -0.253 0.000 1.051 432 I HN 0.048 nan 8.210 nan 0.000 0.409 433 F N 1.000 120.721 119.950 -0.382 0.000 2.186 433 F HA -0.130 4.397 4.527 0.000 0.000 0.299 433 F C 2.623 178.107 175.800 -0.527 0.000 1.090 433 F CA 0.931 58.499 58.000 -0.720 0.000 1.307 433 F CB -1.314 36.590 39.000 -1.826 0.000 1.019 433 F HN 0.003 nan 8.300 nan 0.000 0.489 434 A N 0.413 123.080 122.820 -0.255 0.000 1.892 434 A HA -0.138 4.182 4.320 0.000 0.000 0.218 434 A C 2.629 180.116 177.584 -0.162 0.000 1.188 434 A CA 2.067 54.039 52.037 -0.108 0.000 0.631 434 A CB -1.571 17.344 19.000 -0.142 0.000 0.822 434 A HN 0.404 nan 8.150 nan 0.000 0.447 435 G N -0.345 108.275 108.800 -0.299 0.000 2.402 435 G HA2 -0.129 3.831 3.960 0.000 0.000 0.216 435 G HA3 -0.129 3.831 3.960 0.000 0.000 0.216 435 G C 1.541 176.406 174.900 -0.058 0.000 1.162 435 G CA 1.002 45.772 45.100 -0.551 0.000 0.777 435 G HN 0.475 nan 8.290 nan 0.000 0.539 436 I N -0.563 120.149 120.570 0.238 0.000 2.127 436 I HA -0.210 3.960 4.170 0.000 0.000 0.241 436 I C 2.479 178.709 176.117 0.188 0.000 1.075 436 I CA 1.182 62.691 61.300 0.348 0.000 1.334 436 I CB -0.268 37.884 38.000 0.254 0.000 1.040 436 I HN 0.134 nan 8.210 nan 0.000 0.405 437 Y N -0.607 119.795 120.300 0.169 0.000 2.242 437 Y HA -0.259 4.291 4.550 0.000 0.000 0.291 437 Y C 2.306 178.509 175.900 0.504 0.000 1.137 437 Y CA 1.483 59.641 58.100 0.096 0.000 1.181 437 Y CB -0.608 37.754 38.460 -0.162 0.000 0.989 437 Y HN 0.079 nan 8.280 nan 0.000 0.527 438 F N -1.121 119.029 119.950 0.333 0.000 2.134 438 F HA -0.250 4.277 4.527 0.000 0.000 0.299 438 F C 1.391 177.598 175.800 0.679 0.000 1.097 438 F CA 1.547 59.744 58.000 0.328 0.000 1.264 438 F CB -0.288 38.459 39.000 -0.422 0.000 1.001 438 F HN 0.070 nan 8.300 nan 0.000 0.479 439 W N -0.900 120.678 121.300 0.464 0.000 2.998 439 W HA 0.244 4.904 4.660 0.000 0.000 0.336 439 W C 2.014 178.731 176.519 0.330 0.000 1.112 439 W CA -0.402 57.111 57.345 0.279 0.000 1.682 439 W CB -0.752 28.701 29.460 -0.011 0.000 1.065 439 W HN 0.014 nan 8.180 nan 0.000 0.570 440 I N 0.645 121.527 120.570 0.520 0.000 2.208 440 I HA -0.213 3.957 4.170 0.000 0.000 0.245 440 I C 2.358 178.611 176.117 0.227 0.000 1.097 440 I CA 2.241 63.722 61.300 0.302 0.000 1.363 440 I CB -0.559 37.565 38.000 0.206 0.000 1.051 440 I HN -0.069 nan 8.210 nan 0.000 0.413 441 G N 0.543 109.471 108.800 0.213 0.000 2.446 441 G HA2 -0.374 3.586 3.960 0.000 0.000 0.217 441 G HA3 -0.374 3.586 3.960 0.000 0.000 0.217 441 G C 1.641 176.652 174.900 0.185 0.000 1.168 441 G CA 1.221 46.262 45.100 -0.099 0.000 0.771 441 G HN 0.297 nan 8.290 nan 0.000 0.551 442 K N 0.340 121.056 120.400 0.528 0.000 2.057 442 K HA 0.083 4.403 4.320 0.000 0.000 0.207 442 K C 2.487 179.198 176.600 0.184 0.000 1.049 442 K CA 1.287 57.808 56.287 0.390 0.000 0.931 442 K CB -0.375 32.295 32.500 0.283 0.000 0.714 442 K HN 0.378 nan 8.250 nan 0.000 0.440 443 M N -0.387 119.282 119.600 0.114 0.000 2.288 443 M HA -0.022 4.458 4.480 0.000 0.000 0.266 443 M C 1.796 178.134 176.300 0.063 0.000 1.072 443 M CA 1.520 56.793 55.300 -0.045 0.000 1.132 443 M CB 0.081 32.520 32.600 -0.269 0.000 1.386 443 M HN 0.296 nan 8.290 nan 0.000 0.432 444 S N -1.486 114.254 115.700 0.067 0.000 2.520 444 S HA 0.326 4.796 4.470 0.000 0.000 0.219 444 S C 1.505 176.126 174.600 0.034 0.000 1.028 444 S CA 0.432 58.667 58.200 0.058 0.000 0.921 444 S CB 0.550 63.773 63.200 0.039 0.000 0.844 444 S HN 0.580 nan 8.310 nan 0.000 0.495 445 G N 1.404 110.219 108.800 0.025 0.000 2.162 445 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 445 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 445 G C 0.034 174.900 174.900 -0.057 0.000 0.976 445 G CA 0.266 45.361 45.100 -0.009 0.000 0.655 445 G HN 0.634 nan 8.290 nan 0.000 0.533 446 R N -0.633 119.827 120.500 -0.065 0.000 2.686 446 R HA 0.588 4.929 4.340 0.000 0.000 0.286 446 R C -0.628 175.606 176.300 -0.111 0.000 0.969 446 R CA -0.888 55.155 56.100 -0.094 0.000 0.898 446 R CB 1.480 31.731 30.300 -0.083 0.000 1.183 446 R HN 0.155 nan 8.270 nan 0.000 0.456 447 Q N 1.980 121.691 119.800 -0.148 0.000 2.245 447 Q HA 0.214 4.554 4.340 0.000 0.000 0.256 447 Q C -1.295 174.677 176.000 -0.047 0.000 0.942 447 Q CA -0.628 55.064 55.803 -0.185 0.000 0.896 447 Q CB 0.909 29.447 28.738 -0.333 0.000 1.272 447 Q HN 0.474 nan 8.270 nan 0.000 0.442 448 Y N 1.398 121.739 120.300 0.068 0.000 2.326 448 Y HA 0.653 5.203 4.550 0.000 0.000 0.333 448 Y C -2.175 173.815 175.900 0.151 0.000 1.240 448 Y CA -2.749 55.439 58.100 0.146 0.000 1.365 448 Y CB -0.204 38.404 38.460 0.246 0.000 1.289 448 Y HN 0.488 nan 8.280 nan 0.000 0.548 449 P HA 0.089 nan 4.420 nan 0.000 0.276 449 P C 0.055 177.413 177.300 0.096 0.000 1.253 449 P CA -0.051 63.083 63.100 0.056 0.000 0.766 449 P CB 1.402 33.036 31.700 -0.111 0.000 0.845 450 E N 4.548 124.800 120.200 0.086 0.000 2.097 450 E HA -0.191 4.159 4.350 0.000 0.000 0.196 450 E C 1.421 178.159 176.600 0.229 0.000 1.000 450 E CA 1.653 58.187 56.400 0.224 0.000 0.804 450 E CB -0.590 29.212 29.700 0.169 0.000 0.740 450 E HN 0.639 nan 8.360 nan 0.000 0.454 451 W N 0.084 121.497 121.300 0.188 0.000 2.374 451 W HA -0.043 4.617 4.660 0.000 0.000 0.288 451 W C 1.714 178.384 176.519 0.251 0.000 1.218 451 W CA 1.185 58.636 57.345 0.176 0.000 1.245 451 W CB -0.942 28.593 29.460 0.126 0.000 1.126 451 W HN 0.159 nan 8.180 nan 0.000 0.545 452 A N 2.127 124.386 122.820 -0.935 0.000 1.897 452 A HA 0.092 4.412 4.320 0.000 0.000 0.215 452 A C 2.417 180.007 177.584 0.009 0.000 1.181 452 A CA 2.037 53.592 52.037 -0.804 0.000 0.620 452 A CB -1.536 16.836 19.000 -1.048 0.000 0.821 452 A HN 0.363 nan 8.150 nan 0.000 0.443 453 G N -0.002 108.830 108.800 0.054 0.000 2.440 453 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 453 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 453 G C 1.688 176.520 174.900 -0.115 0.000 1.154 453 G CA 1.210 46.247 45.100 -0.104 0.000 0.767 453 G HN 0.572 nan 8.290 nan 0.000 0.552 454 K N -0.614 119.794 120.400 0.013 0.000 2.062 454 K HA 0.089 4.409 4.320 0.000 0.000 0.205 454 K C 2.361 179.103 176.600 0.237 0.000 1.051 454 K CA 0.654 56.976 56.287 0.058 0.000 0.941 454 K CB -0.271 32.335 32.500 0.176 0.000 0.719 454 K HN 0.245 nan 8.250 nan 0.000 0.440 455 L N 1.314 122.709 121.223 0.286 0.000 1.989 455 L HA -0.225 4.115 4.340 0.000 0.000 0.211 455 L C 2.355 179.367 176.870 0.237 0.000 1.071 455 L CA 1.900 56.898 54.840 0.263 0.000 0.749 455 L CB -0.811 41.357 42.059 0.181 0.000 0.890 455 L HN 0.307 nan 8.230 nan 0.000 0.431 456 H N -1.715 117.520 119.070 0.275 0.000 2.289 456 H HA -0.317 4.239 4.556 0.000 0.000 0.294 456 H C 2.199 177.577 175.328 0.083 0.000 1.095 456 H CA 2.186 58.428 56.048 0.324 0.000 1.256 456 H CB -0.313 29.744 29.762 0.492 0.000 1.359 456 H HN 0.450 nan 8.280 nan 0.000 0.487 457 F N 0.448 120.112 119.950 -0.477 0.000 2.065 457 F HA -0.253 4.274 4.527 0.000 0.000 0.298 457 F C 1.951 177.333 175.800 -0.697 0.000 1.112 457 F CA 2.015 59.267 58.000 -1.246 0.000 1.212 457 F CB -0.838 37.140 39.000 -1.704 0.000 0.975 457 F HN 0.203 nan 8.300 nan 0.000 0.476 458 W N 0.088 121.207 121.300 -0.302 0.000 2.402 458 W HA -0.123 4.537 4.660 0.000 0.000 0.286 458 W C 2.471 178.911 176.519 -0.133 0.000 1.221 458 W CA 0.982 58.180 57.345 -0.245 0.000 1.257 458 W CB -0.363 29.073 29.460 -0.040 0.000 1.120 458 W HN 0.037 nan 8.180 nan 0.000 0.551 459 M N -0.989 118.689 119.600 0.129 0.000 2.132 459 M HA -0.206 4.274 4.480 0.000 0.000 0.263 459 M C 2.244 178.616 176.300 0.119 0.000 1.065 459 M CA 1.514 56.892 55.300 0.131 0.000 1.122 459 M CB -0.575 32.102 32.600 0.129 0.000 1.365 459 M HN 0.006 nan 8.290 nan 0.000 0.411 460 M N 0.117 119.761 119.600 0.074 0.000 2.086 460 M HA -0.169 4.311 4.480 0.000 0.000 0.261 460 M C 1.913 178.274 176.300 0.101 0.000 1.067 460 M CA 1.838 57.214 55.300 0.127 0.000 1.116 460 M CB -0.555 32.142 32.600 0.161 0.000 1.348 460 M HN 0.193 nan 8.290 nan 0.000 0.407 461 F N -0.390 119.385 119.950 -0.292 0.000 2.095 461 F HA -0.220 4.307 4.527 0.000 0.000 0.298 461 F C 1.856 177.665 175.800 0.015 0.000 1.104 461 F CA 2.005 59.893 58.000 -0.188 0.000 1.232 461 F CB -0.401 38.207 39.000 -0.653 0.000 0.987 461 F HN -0.001 nan 8.300 nan 0.000 0.475 462 V N -0.005 120.024 119.914 0.193 0.000 2.283 462 V HA -0.178 3.942 4.120 0.000 0.000 0.243 462 V C 2.730 178.847 176.094 0.037 0.000 1.039 462 V CA 1.869 64.254 62.300 0.141 0.000 1.016 462 V CB -1.550 30.385 31.823 0.188 0.000 0.650 462 V HN 0.521 nan 8.190 nan 0.000 0.449 463 G N -0.166 108.667 108.800 0.054 0.000 2.491 463 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 463 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 463 G C 1.754 176.622 174.900 -0.055 0.000 1.180 463 G CA 1.232 46.343 45.100 0.019 0.000 0.774 463 G HN 0.614 nan 8.290 nan 0.000 0.562 464 A N 0.732 123.545 122.820 -0.013 0.000 1.930 464 A HA -0.036 4.284 4.320 0.000 0.000 0.217 464 A C 2.274 179.781 177.584 -0.129 0.000 1.175 464 A CA 1.663 53.681 52.037 -0.032 0.000 0.627 464 A CB -0.384 18.695 19.000 0.132 0.000 0.815 464 A HN 0.377 nan 8.150 nan 0.000 0.443 465 N N 0.162 118.765 118.700 -0.163 0.000 2.142 465 N HA -0.078 4.662 4.740 0.000 0.000 0.186 465 N C 1.719 177.220 175.510 -0.015 0.000 1.023 465 N CA 1.320 54.314 53.050 -0.094 0.000 0.852 465 N CB -0.349 38.038 38.487 -0.166 0.000 0.998 465 N HN 0.474 nan 8.380 nan 0.000 0.424 466 L N 0.914 122.104 121.223 -0.056 0.000 2.131 466 L HA -0.151 4.189 4.340 0.000 0.000 0.210 466 L C 2.242 179.019 176.870 -0.155 0.000 1.092 466 L CA 1.038 55.851 54.840 -0.046 0.000 0.759 466 L CB -0.657 41.381 42.059 -0.034 0.000 0.903 466 L HN 0.175 nan 8.230 nan 0.000 0.435 467 T N -0.621 113.730 114.554 -0.337 0.000 2.701 467 T HA -0.111 4.239 4.350 0.000 0.000 0.263 467 T C 1.430 175.721 174.700 -0.682 0.000 1.040 467 T CA 1.492 63.193 62.100 -0.666 0.000 1.147 467 T CB -0.211 67.966 68.868 -1.152 0.000 0.865 467 T HN 0.130 nan 8.240 nan 0.000 0.426 468 F N -0.618 119.215 119.950 -0.195 0.000 2.505 468 F HA 0.386 4.913 4.527 0.000 0.000 0.289 468 F C 1.769 177.502 175.800 -0.111 0.000 1.101 468 F CA -1.126 56.740 58.000 -0.224 0.000 1.446 468 F CB -0.689 38.095 39.000 -0.359 0.000 1.123 468 F HN 0.026 nan 8.300 nan 0.000 0.564 469 F N 2.503 122.515 119.950 0.103 0.000 2.095 469 F HA -0.107 4.420 4.527 0.000 0.000 0.298 469 F C -0.764 174.782 175.800 -0.423 0.000 1.104 469 F CA 1.528 59.539 58.000 0.018 0.000 1.232 469 F CB -1.503 37.473 39.000 -0.039 0.000 0.987 469 F HN -0.130 nan 8.300 nan 0.000 0.475 470 P HA -0.155 nan 4.420 nan 0.000 0.228 470 P C 0.953 177.960 177.300 -0.489 0.000 1.151 470 P CA 1.382 64.088 63.100 -0.657 0.000 0.770 470 P CB -0.196 31.470 31.700 -0.056 0.000 0.786 471 Q N -1.681 117.888 119.800 -0.386 0.000 2.291 471 Q HA -0.167 4.174 4.340 0.000 0.000 0.205 471 Q C 1.670 177.451 176.000 -0.364 0.000 0.970 471 Q CA 1.022 56.654 55.803 -0.285 0.000 0.876 471 Q CB -0.617 28.041 28.738 -0.133 0.000 0.935 471 Q HN 0.520 nan 8.270 nan 0.000 0.455 472 H N -0.570 118.156 119.070 -0.573 0.000 2.353 472 H HA -0.145 4.411 4.556 0.000 0.000 0.300 472 H C 1.478 176.727 175.328 -0.131 0.000 1.090 472 H CA 1.627 57.366 56.048 -0.515 0.000 1.327 472 H CB -0.043 29.169 29.762 -0.917 0.000 1.383 472 H HN 0.193 nan 8.280 nan 0.000 0.508 473 F N 0.441 120.323 119.950 -0.112 0.000 2.102 473 F HA -0.137 4.390 4.527 0.000 0.000 0.298 473 F C 2.276 178.127 175.800 0.085 0.000 1.105 473 F CA 0.872 58.822 58.000 -0.083 0.000 1.239 473 F CB -1.127 37.626 39.000 -0.412 0.000 0.991 473 F HN 0.084 nan 8.300 nan 0.000 0.474 474 L N -0.300 121.059 121.223 0.226 0.000 2.042 474 L HA -0.150 4.190 4.340 0.000 0.000 0.210 474 L C 2.758 179.717 176.870 0.148 0.000 1.076 474 L CA 1.489 56.419 54.840 0.150 0.000 0.749 474 L CB -1.416 40.568 42.059 -0.125 0.000 0.893 474 L HN 0.278 nan 8.230 nan 0.000 0.432 475 G N -0.391 108.526 108.800 0.194 0.000 2.402 475 G HA2 -0.214 3.747 3.960 0.000 0.000 0.216 475 G HA3 -0.214 3.747 3.960 0.000 0.000 0.216 475 G C 1.729 176.918 174.900 0.482 0.000 1.162 475 G CA 0.342 45.622 45.100 0.299 0.000 0.777 475 G HN 0.255 nan 8.290 nan 0.000 0.539 476 R N -0.233 120.561 120.500 0.489 0.000 2.120 476 R HA -0.016 4.324 4.340 0.000 0.000 0.234 476 R C 2.569 179.145 176.300 0.460 0.000 1.123 476 R CA 1.133 57.521 56.100 0.479 0.000 0.975 476 R CB -0.108 30.395 30.300 0.338 0.000 0.866 476 R HN 0.276 nan 8.270 nan 0.000 0.446 477 Q N -0.771 119.292 119.800 0.439 0.000 2.472 477 Q HA 0.036 4.376 4.340 0.000 0.000 0.208 477 Q C 0.816 177.129 176.000 0.521 0.000 0.958 477 Q CA 1.047 57.129 55.803 0.466 0.000 0.932 477 Q CB 1.101 30.151 28.738 0.520 0.000 1.007 477 Q HN 0.611 nan 8.270 nan 0.000 0.508 478 G N 1.343 110.387 108.800 0.406 0.000 2.138 478 G HA2 -0.246 3.714 3.960 0.000 0.000 0.193 478 G HA3 -0.246 3.714 3.960 0.000 0.000 0.193 478 G C 0.033 174.963 174.900 0.050 0.000 0.998 478 G CA 0.207 45.419 45.100 0.186 0.000 0.668 478 G HN 0.318 nan 8.290 nan 0.000 0.516 479 M N 1.656 121.126 119.600 -0.216 0.000 2.307 479 M HA 0.375 4.855 4.480 0.000 0.000 0.346 479 M C -2.041 174.080 176.300 -0.297 0.000 1.552 479 M CA -1.320 53.569 55.300 -0.686 0.000 1.116 479 M CB 0.612 32.516 32.600 -1.159 0.000 1.889 479 M HN 0.015 nan 8.290 nan 0.000 0.460 480 P HA 0.202 nan 4.420 nan 0.000 0.274 480 P C -1.107 176.013 177.300 -0.300 0.000 1.237 480 P CA -0.232 62.589 63.100 -0.466 0.000 0.793 480 P CB 0.545 31.682 31.700 -0.939 0.000 0.977 481 R N 1.423 121.795 120.500 -0.213 0.000 2.641 481 R HA 0.256 4.596 4.340 0.000 0.000 0.269 481 R C 0.462 176.828 176.300 0.111 0.000 1.074 481 R CA -0.098 55.925 56.100 -0.128 0.000 1.133 481 R CB -0.007 30.218 30.300 -0.124 0.000 1.029 481 R HN 0.439 nan 8.270 nan 0.000 0.488 482 R N -0.043 120.648 120.500 0.319 0.000 3.654 482 R HA -0.187 4.153 4.340 0.000 0.000 0.302 482 R C -1.291 175.373 176.300 0.606 0.000 1.166 482 R CA 0.590 57.003 56.100 0.522 0.000 0.810 482 R CB -1.598 28.909 30.300 0.344 0.000 1.323 482 R HN 0.411 nan 8.270 nan 0.000 0.478 483 Y N -0.133 120.241 120.300 0.123 0.000 2.331 483 Y HA 0.272 4.822 4.550 0.000 0.000 0.338 483 Y C 1.468 176.850 175.900 -0.863 0.000 0.976 483 Y CA -1.599 56.389 58.100 -0.187 0.000 1.137 483 Y CB 0.970 39.397 38.460 -0.055 0.000 1.172 483 Y HN 0.089 nan 8.280 nan 0.000 0.478 484 I N 1.165 121.195 120.570 -0.901 0.000 2.361 484 I HA -0.191 3.979 4.170 0.000 0.000 0.251 484 I C 0.041 175.806 176.117 -0.586 0.000 1.133 484 I CA 1.730 62.409 61.300 -1.034 0.000 1.413 484 I CB 0.297 38.077 38.000 -0.366 0.000 1.073 484 I HN 0.581 nan 8.210 nan 0.000 0.424 485 D N -1.770 118.440 120.400 -0.317 0.000 2.583 485 D HA 0.373 5.013 4.640 0.000 0.000 0.248 485 D C -1.613 174.699 176.300 0.019 0.000 1.209 485 D CA -0.363 53.500 54.000 -0.227 0.000 0.848 485 D CB 1.535 42.192 40.800 -0.238 0.000 1.431 485 D HN 0.102 nan 8.370 nan 0.000 0.436 486 Y N -1.847 118.484 120.300 0.052 0.000 2.552 486 Y HA 0.676 5.226 4.550 0.000 0.000 0.337 486 Y C -2.800 173.240 175.900 0.234 0.000 1.094 486 Y CA -2.367 55.858 58.100 0.207 0.000 1.028 486 Y CB 0.416 38.985 38.460 0.181 0.000 1.321 486 Y HN 0.085 nan 8.280 nan 0.000 0.456 487 P HA -0.044 nan 4.420 nan 0.000 0.263 487 P C 0.586 178.033 177.300 0.244 0.000 1.175 487 P CA 0.474 63.725 63.100 0.253 0.000 0.761 487 P CB 0.946 32.735 31.700 0.148 0.000 0.794 488 E N 3.786 124.031 120.200 0.074 0.000 2.209 488 E HA -0.221 4.129 4.350 0.000 0.000 0.196 488 E C 1.699 178.325 176.600 0.043 0.000 0.993 488 E CA 1.754 58.192 56.400 0.063 0.000 0.819 488 E CB -0.707 28.987 29.700 -0.009 0.000 0.745 488 E HN 0.451 nan 8.360 nan 0.000 0.477 489 A N -0.364 122.392 122.820 -0.106 0.000 2.125 489 A HA -0.082 4.238 4.320 0.000 0.000 0.219 489 A C 1.371 178.859 177.584 -0.161 0.000 1.156 489 A CA 0.981 52.898 52.037 -0.199 0.000 0.671 489 A CB -0.700 18.099 19.000 -0.335 0.000 0.794 489 A HN 0.366 nan 8.150 nan 0.000 0.459 490 F N -0.591 119.433 119.950 0.124 0.000 2.797 490 F HA 0.294 4.821 4.527 0.000 0.000 0.302 490 F C 2.283 178.073 175.800 -0.017 0.000 1.130 490 F CA -0.210 57.800 58.000 0.017 0.000 1.387 490 F CB -0.528 38.372 39.000 -0.166 0.000 1.107 490 F HN 0.244 nan 8.300 nan 0.000 0.577 491 A N 0.087 123.064 122.820 0.262 0.000 1.865 491 A HA -0.197 4.123 4.320 0.000 0.000 0.217 491 A C 2.368 180.013 177.584 0.102 0.000 1.191 491 A CA 2.475 54.661 52.037 0.249 0.000 0.623 491 A CB -1.220 17.873 19.000 0.155 0.000 0.826 491 A HN 0.302 nan 8.150 nan 0.000 0.444 492 T N -1.085 113.432 114.554 -0.060 0.000 2.635 492 T HA -0.248 4.102 4.350 0.000 0.000 0.267 492 T C 1.540 176.128 174.700 -0.187 0.000 1.040 492 T CA 1.841 63.787 62.100 -0.257 0.000 1.156 492 T CB -0.445 68.077 68.868 -0.576 0.000 0.863 492 T HN 0.747 nan 8.240 nan 0.000 0.430 493 W N 1.509 122.894 121.300 0.140 0.000 2.584 493 W HA 0.114 4.774 4.660 0.000 0.000 0.264 493 W C 2.490 179.012 176.519 0.005 0.000 1.264 493 W CA -0.448 56.974 57.345 0.128 0.000 1.306 493 W CB -0.264 29.324 29.460 0.213 0.000 1.110 493 W HN 0.202 nan 8.180 nan 0.000 0.606 494 N N 0.206 118.974 118.700 0.114 0.000 2.216 494 N HA -0.160 4.580 4.740 0.000 0.000 0.183 494 N C 1.518 177.061 175.510 0.054 0.000 1.017 494 N CA 1.201 54.221 53.050 -0.050 0.000 0.861 494 N CB -0.577 37.766 38.487 -0.239 0.000 0.986 494 N HN 0.119 nan 8.380 nan 0.000 0.428 495 F N 2.195 122.150 119.950 0.008 0.000 2.075 495 F HA -0.164 4.363 4.527 0.000 0.000 0.297 495 F C 2.278 178.075 175.800 -0.006 0.000 1.113 495 F CA 1.027 59.034 58.000 0.011 0.000 1.218 495 F CB -0.517 38.489 39.000 0.010 0.000 0.984 495 F HN -0.258 nan 8.300 nan 0.000 0.472 496 V N -0.573 119.408 119.914 0.111 0.000 2.287 496 V HA -0.335 3.785 4.120 0.000 0.000 0.248 496 V C 2.667 178.707 176.094 -0.090 0.000 1.053 496 V CA 2.110 64.450 62.300 0.066 0.000 1.027 496 V CB -1.250 30.797 31.823 0.375 0.000 0.646 496 V HN 0.525 nan 8.190 nan 0.000 0.447 497 S N -0.457 115.192 115.700 -0.084 0.000 2.370 497 S HA -0.224 4.246 4.470 0.000 0.000 0.226 497 S C 2.207 176.552 174.600 -0.424 0.000 1.033 497 S CA 2.168 60.218 58.200 -0.249 0.000 1.011 497 S CB -0.317 62.737 63.200 -0.242 0.000 0.852 497 S HN 0.625 nan 8.310 nan 0.000 0.457 498 S N 1.392 116.813 115.700 -0.466 0.000 2.368 498 S HA 0.074 4.544 4.470 0.000 0.000 0.224 498 S C 1.785 175.681 174.600 -1.174 0.000 1.029 498 S CA 1.212 58.932 58.200 -0.799 0.000 0.988 498 S CB -0.459 62.390 63.200 -0.585 0.000 0.838 498 S HN 0.469 nan 8.310 nan 0.000 0.462 499 L N 0.993 121.785 121.223 -0.718 0.000 2.012 499 L HA -0.111 4.229 4.340 0.000 0.000 0.210 499 L C 2.833 179.526 176.870 -0.294 0.000 1.073 499 L CA 1.385 55.972 54.840 -0.422 0.000 0.748 499 L CB -1.423 40.447 42.059 -0.316 0.000 0.891 499 L HN 0.425 nan 8.230 nan 0.000 0.431 500 G N -0.173 108.453 108.800 -0.289 0.000 2.513 500 G HA2 -0.327 3.633 3.960 0.000 0.000 0.219 500 G HA3 -0.327 3.633 3.960 0.000 0.000 0.219 500 G C 1.732 176.480 174.900 -0.255 0.000 1.160 500 G CA 1.018 45.982 45.100 -0.226 0.000 0.767 500 G HN 0.501 nan 8.290 nan 0.000 0.571 501 A N 0.116 122.672 122.820 -0.440 0.000 1.972 501 A HA 0.175 4.495 4.320 0.000 0.000 0.219 501 A C 2.128 179.670 177.584 -0.069 0.000 1.169 501 A CA 1.444 53.268 52.037 -0.355 0.000 0.635 501 A CB -0.415 18.285 19.000 -0.501 0.000 0.810 501 A HN 0.276 nan 8.150 nan 0.000 0.446 502 F N -0.771 119.176 119.950 -0.004 0.000 2.163 502 F HA -0.017 4.510 4.527 0.000 0.000 0.297 502 F C 1.978 177.868 175.800 0.150 0.000 1.094 502 F CA 0.617 58.670 58.000 0.089 0.000 1.290 502 F CB -1.128 37.892 39.000 0.033 0.000 1.017 502 F HN 0.238 nan 8.300 nan 0.000 0.483 503 L N -0.117 121.249 121.223 0.239 0.000 2.046 503 L HA -0.173 4.168 4.340 0.000 0.000 0.208 503 L C 2.368 179.360 176.870 0.203 0.000 1.077 503 L CA 1.744 56.692 54.840 0.180 0.000 0.747 503 L CB -1.178 40.946 42.059 0.107 0.000 0.896 503 L HN 0.000 nan 8.230 nan 0.000 0.432 504 S N -0.659 115.152 115.700 0.185 0.000 2.370 504 S HA -0.214 4.256 4.470 0.000 0.000 0.226 504 S C 1.808 176.626 174.600 0.363 0.000 1.033 504 S CA 1.630 59.971 58.200 0.235 0.000 1.011 504 S CB -0.702 62.591 63.200 0.155 0.000 0.852 504 S HN 0.538 nan 8.310 nan 0.000 0.457 505 F N 2.594 122.672 119.950 0.214 0.000 2.134 505 F HA -0.033 4.494 4.527 0.000 0.000 0.299 505 F C 2.346 178.328 175.800 0.303 0.000 1.097 505 F CA 0.701 58.864 58.000 0.272 0.000 1.264 505 F CB -0.970 38.179 39.000 0.248 0.000 1.001 505 F HN 0.166 nan 8.300 nan 0.000 0.479 506 A N -0.198 122.737 122.820 0.191 0.000 1.908 506 A HA -0.232 4.088 4.320 0.000 0.000 0.218 506 A C 2.425 180.090 177.584 0.135 0.000 1.181 506 A CA 2.354 54.438 52.037 0.078 0.000 0.627 506 A CB -1.496 17.580 19.000 0.127 0.000 0.818 506 A HN 0.520 nan 8.150 nan 0.000 0.445 507 S N -1.538 114.297 115.700 0.227 0.000 2.399 507 S HA -0.164 4.306 4.470 0.000 0.000 0.231 507 S C 1.795 176.588 174.600 0.321 0.000 1.022 507 S CA 1.529 59.919 58.200 0.317 0.000 0.983 507 S CB -0.590 62.840 63.200 0.384 0.000 0.803 507 S HN 0.494 nan 8.310 nan 0.000 0.480 508 F N 1.956 121.996 119.950 0.151 0.000 2.234 508 F HA 0.306 4.833 4.527 0.000 0.000 0.296 508 F C 1.864 177.722 175.800 0.096 0.000 1.089 508 F CA 0.608 58.706 58.000 0.163 0.000 1.343 508 F CB -0.334 38.822 39.000 0.260 0.000 1.040 508 F HN 0.153 nan 8.300 nan 0.000 0.498 509 L N -1.227 119.961 121.223 -0.057 0.000 2.017 509 L HA -0.211 4.129 4.340 0.000 0.000 0.208 509 L C 2.404 179.207 176.870 -0.111 0.000 1.073 509 L CA 1.430 56.161 54.840 -0.183 0.000 0.745 509 L CB -1.022 40.884 42.059 -0.255 0.000 0.894 509 L HN 0.154 nan 8.230 nan 0.000 0.432 510 F N 0.759 120.627 119.950 -0.137 0.000 2.091 510 F HA -0.354 4.173 4.527 0.000 0.000 0.299 510 F C 2.421 178.102 175.800 -0.198 0.000 1.103 510 F CA 1.714 59.646 58.000 -0.112 0.000 1.228 510 F CB -0.542 38.439 39.000 -0.031 0.000 0.984 510 F HN 0.042 nan 8.300 nan 0.000 0.477 511 F N 0.893 120.552 119.950 -0.485 0.000 2.091 511 F HA -0.249 4.278 4.527 0.000 0.000 0.299 511 F C 1.857 177.349 175.800 -0.515 0.000 1.103 511 F CA 2.021 59.585 58.000 -0.728 0.000 1.228 511 F CB -0.813 37.540 39.000 -1.078 0.000 0.984 511 F HN 0.011 nan 8.300 nan 0.000 0.477 512 L N 0.009 120.781 121.223 -0.750 0.000 2.201 512 L HA -0.089 4.251 4.340 0.000 0.000 0.212 512 L C 2.760 179.369 176.870 -0.435 0.000 1.105 512 L CA 1.035 55.468 54.840 -0.679 0.000 0.775 512 L CB -1.488 40.309 42.059 -0.437 0.000 0.913 512 L HN 0.395 nan 8.230 nan 0.000 0.440 513 G N -0.406 108.161 108.800 -0.389 0.000 2.394 513 G HA2 -0.145 3.815 3.960 0.000 0.000 0.215 513 G HA3 -0.145 3.815 3.960 0.000 0.000 0.215 513 G C 1.599 176.347 174.900 -0.254 0.000 1.165 513 G CA 0.630 45.580 45.100 -0.250 0.000 0.784 513 G HN 0.150 nan 8.290 nan 0.000 0.535 514 V N 1.674 121.278 119.914 -0.517 0.000 2.287 514 V HA -0.176 3.944 4.120 0.000 0.000 0.248 514 V C 2.801 178.762 176.094 -0.222 0.000 1.053 514 V CA 1.246 63.305 62.300 -0.402 0.000 1.027 514 V CB -0.355 31.199 31.823 -0.448 0.000 0.646 514 V HN 0.257 nan 8.190 nan 0.000 0.447 515 I N -0.606 119.715 120.570 -0.414 0.000 2.179 515 I HA -0.215 3.955 4.170 0.000 0.000 0.242 515 I C 2.316 178.381 176.117 -0.085 0.000 1.088 515 I CA 1.699 62.819 61.300 -0.300 0.000 1.357 515 I CB -1.312 36.402 38.000 -0.477 0.000 1.051 515 I HN 0.355 nan 8.210 nan 0.000 0.409 516 F N 1.263 121.110 119.950 -0.172 0.000 2.069 516 F HA -0.332 4.195 4.527 0.000 0.000 0.298 516 F C 2.831 178.610 175.800 -0.035 0.000 1.113 516 F CA 1.818 59.765 58.000 -0.087 0.000 1.214 516 F CB -0.850 38.095 39.000 -0.090 0.000 0.978 516 F HN 0.096 nan 8.300 nan 0.000 0.474 517 Y N 1.029 121.292 120.300 -0.060 0.000 2.097 517 Y HA -0.286 4.264 4.550 0.000 0.000 0.282 517 Y C 2.522 178.328 175.900 -0.155 0.000 1.152 517 Y CA 2.651 60.685 58.100 -0.110 0.000 1.136 517 Y CB -1.049 37.399 38.460 -0.020 0.000 0.975 517 Y HN 0.084 nan 8.280 nan 0.000 0.498 518 T N 1.480 116.049 114.554 0.025 0.000 2.653 518 T HA -0.247 4.103 4.350 0.000 0.000 0.268 518 T C 1.846 176.437 174.700 -0.181 0.000 1.035 518 T CA 2.117 64.193 62.100 -0.041 0.000 1.154 518 T CB -0.592 68.314 68.868 0.064 0.000 0.862 518 T HN 0.365 nan 8.240 nan 0.000 0.441 519 L N 1.015 122.121 121.223 -0.194 0.000 2.478 519 L HA 0.023 4.363 4.340 0.000 0.000 0.223 519 L C 2.682 179.389 176.870 -0.272 0.000 1.140 519 L CA 1.160 55.893 54.840 -0.178 0.000 0.842 519 L CB -0.640 41.362 42.059 -0.095 0.000 0.953 519 L HN 0.491 nan 8.230 nan 0.000 0.452 520 T N -4.430 109.865 114.554 -0.430 0.000 3.038 520 T HA 0.099 4.449 4.350 0.000 0.000 0.244 520 T C 1.753 176.226 174.700 -0.380 0.000 1.016 520 T CA -0.158 61.681 62.100 -0.434 0.000 1.098 520 T CB 0.249 68.729 68.868 -0.647 0.000 0.954 520 T HN 0.161 nan 8.240 nan 0.000 0.469 521 R N 0.551 120.730 120.500 -0.535 0.000 2.541 521 R HA 0.372 4.712 4.340 0.000 0.000 0.332 521 R C 0.920 176.871 176.300 -0.581 0.000 0.951 521 R CA -0.195 55.573 56.100 -0.554 0.000 1.136 521 R CB 1.088 30.995 30.300 -0.655 0.000 1.449 521 R HN 0.413 nan 8.270 nan 0.000 0.531 522 G N 0.993 109.493 108.800 -0.500 0.000 2.527 522 G HA2 0.418 4.378 3.960 0.000 0.000 0.248 522 G HA3 0.418 4.378 3.960 0.000 0.000 0.248 522 G C 0.112 174.932 174.900 -0.134 0.000 1.231 522 G CA -0.266 44.691 45.100 -0.239 0.000 0.838 522 G HN 0.227 nan 8.290 nan 0.000 0.570 523 A N 2.075 124.856 122.820 -0.064 0.000 2.561 523 A HA 0.245 4.565 4.320 0.000 0.000 0.234 523 A C 1.077 178.604 177.584 -0.096 0.000 1.055 523 A CA 0.022 52.019 52.037 -0.067 0.000 0.756 523 A CB 0.160 19.127 19.000 -0.054 0.000 0.986 523 A HN 0.627 nan 8.150 nan 0.000 0.505 524 R N 1.099 121.551 120.500 -0.081 0.000 2.537 524 R HA 0.199 4.539 4.340 0.000 0.000 0.280 524 R C -0.529 175.714 176.300 -0.095 0.000 1.058 524 R CA -0.002 56.050 56.100 -0.079 0.000 1.057 524 R CB 0.515 30.782 30.300 -0.055 0.000 0.973 524 R HN 0.485 nan 8.270 nan 0.000 0.438 525 V N 3.579 123.430 119.914 -0.105 0.000 2.432 525 V HA 0.098 4.218 4.120 0.000 0.000 0.275 525 V C 1.471 177.546 176.094 -0.031 0.000 1.043 525 V CA -0.043 62.189 62.300 -0.113 0.000 0.925 525 V CB 1.347 33.065 31.823 -0.174 0.000 0.985 525 V HN 0.965 nan 8.190 nan 0.000 0.466 526 T N 1.257 115.805 114.554 -0.009 0.000 3.018 526 T HA 0.326 4.676 4.350 0.000 0.000 0.246 526 T C 0.817 175.548 174.700 0.052 0.000 1.026 526 T CA 0.540 62.650 62.100 0.016 0.000 1.081 526 T CB 0.329 69.200 68.868 0.005 0.000 0.970 526 T HN 0.740 nan 8.240 nan 0.000 0.475 527 A N 2.063 124.932 122.820 0.082 0.000 2.363 527 A HA 0.517 4.837 4.320 0.000 0.000 0.270 527 A C 1.050 178.744 177.584 0.183 0.000 1.121 527 A CA -0.608 51.498 52.037 0.115 0.000 0.800 527 A CB 0.161 19.225 19.000 0.107 0.000 1.052 527 A HN 0.246 nan 8.150 nan 0.000 0.493 528 N N 1.081 119.870 118.700 0.148 0.000 2.061 528 N HA -0.127 4.613 4.740 0.000 0.000 0.193 528 N C 0.309 175.986 175.510 0.279 0.000 1.030 528 N CA 1.599 54.760 53.050 0.185 0.000 0.856 528 N CB -0.153 38.416 38.487 0.137 0.000 1.023 528 N HN 0.713 nan 8.380 nan 0.000 0.424 529 N N 0.163 118.971 118.700 0.179 0.000 2.564 529 N HA 0.032 4.773 4.740 0.000 0.000 0.248 529 N C -0.574 174.859 175.510 -0.127 0.000 0.986 529 N CA -0.443 52.629 53.050 0.036 0.000 0.921 529 N CB 0.237 38.734 38.487 0.016 0.000 1.136 529 N HN 0.195 nan 8.380 nan 0.000 0.509 530 Y N 0.982 121.167 120.300 -0.192 0.000 2.471 530 Y HA 0.377 4.927 4.550 0.000 0.000 0.286 530 Y C 0.759 176.385 175.900 -0.457 0.000 1.188 530 Y CA -0.717 57.180 58.100 -0.338 0.000 1.286 530 Y CB -0.283 37.935 38.460 -0.404 0.000 1.072 530 Y HN 0.356 nan 8.280 nan 0.000 0.517 531 W N 1.875 122.945 121.300 -0.383 0.000 3.384 531 W HA 0.229 4.889 4.660 0.000 0.000 0.263 531 W C 0.041 176.406 176.519 -0.256 0.000 1.151 531 W CA 0.305 57.443 57.345 -0.346 0.000 2.176 531 W CB -0.008 29.031 29.460 -0.703 0.000 1.303 531 W HN 0.098 nan 8.180 nan 0.000 0.543 532 N N -1.926 116.737 118.700 -0.063 0.000 3.227 532 N HA 0.042 4.782 4.740 0.000 0.000 0.241 532 N C -0.430 175.000 175.510 -0.133 0.000 1.480 532 N CA -0.603 52.412 53.050 -0.058 0.000 0.886 532 N CB 0.764 39.260 38.487 0.015 0.000 1.406 532 N HN 0.040 nan 8.380 nan 0.000 0.514 533 E N -1.256 118.860 120.200 -0.141 0.000 2.265 533 E HA -0.164 4.186 4.350 0.000 0.000 0.196 533 E C 0.348 176.755 176.600 -0.322 0.000 0.996 533 E CA 0.998 57.254 56.400 -0.240 0.000 0.832 533 E CB -0.274 29.242 29.700 -0.307 0.000 0.756 533 E HN 0.470 nan 8.360 nan 0.000 0.491 534 H N -0.373 118.630 119.070 -0.111 0.000 2.551 534 H HA 0.192 4.748 4.556 0.000 0.000 0.266 534 H C 0.549 175.792 175.328 -0.142 0.000 0.977 534 H CA 0.408 56.392 56.048 -0.108 0.000 1.163 534 H CB 0.221 29.918 29.762 -0.108 0.000 1.381 534 H HN -0.005 nan 8.280 nan 0.000 0.581 535 A N 2.606 125.331 122.820 -0.159 0.000 2.805 535 A HA 0.052 4.372 4.320 0.000 0.000 0.301 535 A C 0.217 177.782 177.584 -0.031 0.000 1.557 535 A CA -0.391 51.505 52.037 -0.234 0.000 1.254 535 A CB -0.454 18.026 19.000 -0.866 0.000 1.114 535 A HN 0.312 nan 8.150 nan 0.000 0.553 536 D N 1.150 121.623 120.400 0.123 0.000 2.462 536 D HA 0.061 4.701 4.640 0.000 0.000 0.221 536 D C 0.520 176.948 176.300 0.214 0.000 1.173 536 D CA 0.349 54.429 54.000 0.133 0.000 0.831 536 D CB -0.431 40.390 40.800 0.035 0.000 1.001 536 D HN 0.382 nan 8.370 nan 0.000 0.499 537 T N -2.955 111.826 114.554 0.379 0.000 2.936 537 T HA 0.409 4.759 4.350 0.000 0.000 0.282 537 T C 1.489 176.421 174.700 0.386 0.000 1.003 537 T CA -0.871 61.427 62.100 0.331 0.000 1.005 537 T CB 1.243 70.288 68.868 0.296 0.000 1.097 537 T HN -0.043 nan 8.240 nan 0.000 0.532 538 L N 0.828 122.255 121.223 0.340 0.000 2.265 538 L HA -0.057 4.283 4.340 0.000 0.000 0.215 538 L C 3.003 180.062 176.870 0.314 0.000 1.117 538 L CA 1.323 56.365 54.840 0.336 0.000 0.782 538 L CB -0.535 41.724 42.059 0.334 0.000 0.914 538 L HN 0.854 nan 8.230 nan 0.000 0.441 539 E N -0.060 120.273 120.200 0.222 0.000 2.268 539 E HA -0.241 4.109 4.350 0.000 0.000 0.195 539 E C 1.559 178.064 176.600 -0.160 0.000 0.995 539 E CA 1.072 57.469 56.400 -0.004 0.000 0.836 539 E CB -0.435 29.234 29.700 -0.052 0.000 0.763 539 E HN 0.603 nan 8.360 nan 0.000 0.491 540 W N 2.097 123.535 121.300 0.229 0.000 3.180 540 W HA 0.048 4.708 4.660 0.000 0.000 0.254 540 W C 1.987 178.559 176.519 0.089 0.000 1.318 540 W CA 0.909 58.325 57.345 0.118 0.000 1.608 540 W CB 0.227 29.735 29.460 0.081 0.000 1.124 540 W HN 0.132 nan 8.180 nan 0.000 0.694 541 T N -2.238 112.467 114.554 0.251 0.000 3.081 541 T HA 0.225 4.575 4.350 0.000 0.000 0.250 541 T C 0.560 175.315 174.700 0.092 0.000 1.100 541 T CA 0.097 62.298 62.100 0.169 0.000 1.038 541 T CB -0.262 68.707 68.868 0.168 0.000 0.962 541 T HN -0.117 nan 8.240 nan 0.000 0.516 542 L N 2.138 123.398 121.223 0.063 0.000 2.365 542 L HA 0.533 4.873 4.340 0.000 0.000 0.267 542 L C 1.019 177.905 176.870 0.028 0.000 1.033 542 L CA -1.359 53.472 54.840 -0.014 0.000 0.802 542 L CB 1.061 43.061 42.059 -0.097 0.000 1.267 542 L HN 0.136 nan 8.230 nan 0.000 0.457 543 T N -1.891 112.664 114.554 0.001 0.000 2.748 543 T HA 0.175 4.526 4.350 0.000 0.000 0.304 543 T C 0.127 174.862 174.700 0.058 0.000 1.041 543 T CA -0.678 61.440 62.100 0.030 0.000 1.033 543 T CB 0.611 69.479 68.868 0.001 0.000 0.995 543 T HN 0.507 nan 8.240 nan 0.000 0.536 544 S N 3.058 118.810 115.700 0.087 0.000 2.667 544 S HA 0.448 4.918 4.470 0.000 0.000 0.304 544 S C -2.394 172.244 174.600 0.063 0.000 1.135 544 S CA -0.993 57.278 58.200 0.119 0.000 1.125 544 S CB 1.003 64.335 63.200 0.219 0.000 0.996 544 S HN 0.700 nan 8.310 nan 0.000 0.474 545 P HA 0.412 nan 4.420 nan 0.000 0.276 545 P C -2.925 174.377 177.300 0.003 0.000 1.252 545 P CA -1.877 61.252 63.100 0.050 0.000 0.802 545 P CB -0.472 31.256 31.700 0.045 0.000 1.035 546 P HA 0.166 nan 4.420 nan 0.000 0.270 546 P C -2.042 175.178 177.300 -0.133 0.000 1.223 546 P CA -0.875 62.169 63.100 -0.092 0.000 0.785 546 P CB -1.096 30.521 31.700 -0.139 0.000 0.923 547 P HA 0.064 nan 4.420 nan 0.000 0.275 547 P C 0.750 177.918 177.300 -0.221 0.000 1.266 547 P CA -0.105 62.904 63.100 -0.152 0.000 0.793 547 P CB 0.843 32.471 31.700 -0.120 0.000 1.074 548 E N -0.296 119.757 120.200 -0.244 0.000 2.070 548 E HA -0.211 4.139 4.350 0.000 0.000 0.197 548 E C -0.119 176.134 176.600 -0.577 0.000 1.004 548 E CA 1.290 57.439 56.400 -0.420 0.000 0.805 548 E CB -0.164 29.281 29.700 -0.425 0.000 0.744 548 E HN 0.547 nan 8.360 nan 0.000 0.451 549 H N -1.050 117.942 119.070 -0.130 0.000 2.685 549 H HA 0.143 4.699 4.556 0.000 0.000 0.307 549 H C 0.606 175.834 175.328 -0.168 0.000 1.017 549 H CA 0.082 56.061 56.048 -0.115 0.000 1.237 549 H CB 1.714 31.426 29.762 -0.083 0.000 1.409 549 H HN 0.072 nan 8.280 nan 0.000 0.488 550 T N 0.053 114.526 114.554 -0.137 0.000 2.939 550 T HA 0.108 4.459 4.350 0.000 0.000 0.254 550 T C 0.241 174.499 174.700 -0.736 0.000 1.041 550 T CA 0.547 62.381 62.100 -0.444 0.000 1.142 550 T CB 0.228 68.820 68.868 -0.461 0.000 0.874 550 T HN 0.178 nan 8.240 nan 0.000 0.452 551 F N 1.458 121.412 119.950 0.007 0.000 2.613 551 F HA 0.673 5.200 4.527 0.000 0.000 0.314 551 F C -0.148 175.647 175.800 -0.007 0.000 1.075 551 F CA -0.859 57.138 58.000 -0.006 0.000 0.945 551 F CB 2.004 40.989 39.000 -0.026 0.000 1.310 551 F HN 0.541 nan 8.300 nan 0.000 0.467 552 E N 0.000 120.317 120.200 0.195 0.000 2.725 552 E HA 0.000 4.350 4.350 0.000 0.000 0.291 552 E CA 0.000 56.458 56.400 0.097 0.000 0.976 552 E CB 0.000 29.742 29.700 0.069 0.000 0.812 552 E HN 0.000 nan 8.360 nan 0.000 0.440