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 3dkn_1_A DATA FIRST_RESID 2 DATA SEQUENCE KKLIPILEKI PEVELPVKEI TFKEKLKWTG IVLVLYFIMG CIDVYTAGAQ DATA SEQUENCE IPAIFEFWQT ITASRIGTLI TLGIGPIVTA GIIMQLLVGS GIIQMDLSIP DATA SEQUENCE ENRALFQGCQ KLLSIIMCFV EAVLFVGAGA FGILTPLLAF LVIIQIAFGS DATA SEQUENCE IILIYLDEIV SKYGIGSGIG LFIAAGVSQT IFVGALGPEG YLWKFLNSLI DATA SEQUENCE QGVPNIEYIA PIIGTIIVFL MVVYAECMRV EIPLAHGRIK GAVGKYPIKF DATA SEQUENCE VYVSNIPVIL AAALFANIQL WGLALYRMGI PILGHYEGGR AVDGIAYYLS DATA SEQUENCE TPYGLSSVIS DPIHAIVYMI AMIITCVMFG IFWVETTGLD PKSMAKRIGS DATA SEQUENCE LGMAIKGFRK SAIEHRLKRY IPPLTVMSSA FVGFLATIAN FIGALGGGTG DATA SEQUENCE VLLTVSIVYR MYEQLLREKV SELHPAIAKL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.611 176.600 0.018 0.000 0.988 2 K CA 0.000 56.296 56.287 0.015 0.000 0.838 2 K CB 0.000 32.508 32.500 0.014 0.000 1.064 3 K N 1.047 121.458 120.400 0.018 0.000 2.571 3 K HA 0.355 4.675 4.320 -0.000 0.000 0.289 3 K C -0.032 176.579 176.600 0.019 0.000 1.028 3 K CA -0.767 55.532 56.287 0.020 0.000 0.895 3 K CB 1.195 33.708 32.500 0.023 0.000 1.534 3 K HN 0.578 nan 8.250 nan 0.000 0.421 4 L N 2.470 123.705 121.223 0.020 0.000 2.962 4 L HA 0.069 4.409 4.340 -0.000 0.000 0.263 4 L C 1.666 178.547 176.870 0.018 0.000 1.152 4 L CA 0.239 55.091 54.840 0.019 0.000 0.954 4 L CB -1.013 41.058 42.059 0.020 0.000 1.213 4 L HN 0.458 nan 8.230 nan 0.000 0.422 5 I N 0.673 121.253 120.570 0.018 0.000 2.315 5 I HA -0.213 3.956 4.170 -0.000 0.000 0.251 5 I C 0.077 176.205 176.117 0.017 0.000 1.125 5 I CA 1.201 62.511 61.300 0.017 0.000 1.392 5 I CB -1.654 36.356 38.000 0.016 0.000 1.065 5 I HN 0.365 nan 8.210 nan 0.000 0.424 6 P HA -0.180 nan 4.420 nan 0.000 0.210 6 P C 1.833 179.144 177.300 0.018 0.000 1.189 6 P CA 1.745 64.855 63.100 0.016 0.000 0.920 6 P CB -0.163 31.546 31.700 0.015 0.000 0.782 7 I N -0.520 120.062 120.570 0.019 0.000 2.361 7 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 7 I C 2.718 178.850 176.117 0.025 0.000 1.133 7 I CA 0.844 62.157 61.300 0.021 0.000 1.413 7 I CB -1.694 36.318 38.000 0.020 0.000 1.073 7 I HN -0.037 nan 8.210 nan 0.000 0.424 8 L N 1.018 122.254 121.223 0.023 0.000 2.079 8 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 8 L C 2.297 179.181 176.870 0.025 0.000 1.081 8 L CA 1.630 56.484 54.840 0.023 0.000 0.752 8 L CB -0.170 41.901 42.059 0.019 0.000 0.896 8 L HN 0.213 nan 8.230 nan 0.000 0.433 9 E N -0.710 119.504 120.200 0.023 0.000 2.427 9 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 9 E C 1.747 178.364 176.600 0.027 0.000 1.028 9 E CA 0.337 56.750 56.400 0.023 0.000 0.864 9 E CB 0.235 29.947 29.700 0.020 0.000 0.813 9 E HN 0.250 nan 8.360 nan 0.000 0.514 10 K N 0.740 121.157 120.400 0.029 0.000 2.243 10 K HA 0.086 4.405 4.320 -0.000 0.000 0.201 10 K C 0.322 176.949 176.600 0.044 0.000 1.051 10 K CA 0.162 56.469 56.287 0.032 0.000 0.970 10 K CB 0.290 32.807 32.500 0.027 0.000 0.755 10 K HN -0.017 nan 8.250 nan 0.000 0.465 11 I N 3.663 124.263 120.570 0.051 0.000 2.483 11 I HA 0.039 4.209 4.170 -0.000 0.000 0.291 11 I C -1.892 174.283 176.117 0.098 0.000 1.112 11 I CA -1.780 59.568 61.300 0.079 0.000 1.350 11 I CB 0.302 38.348 38.000 0.076 0.000 1.419 11 I HN 0.086 nan 8.210 nan 0.000 0.523 12 P HA -0.013 nan 4.420 nan 0.000 0.271 12 P C -0.340 177.018 177.300 0.098 0.000 1.228 12 P CA 0.207 63.399 63.100 0.153 0.000 0.797 12 P CB 0.653 32.496 31.700 0.239 0.000 0.914 13 E N -0.351 119.862 120.200 0.022 0.000 2.415 13 E HA 0.565 4.914 4.350 -0.000 0.000 0.255 13 E C -1.709 174.831 176.600 -0.099 0.000 0.936 13 E CA -0.691 55.651 56.400 -0.097 0.000 0.876 13 E CB 1.053 30.719 29.700 -0.056 0.000 1.696 13 E HN 0.028 nan 8.360 nan 0.000 0.435 14 V N 1.894 121.741 119.914 -0.112 0.000 2.495 14 V HA 0.332 4.452 4.120 -0.000 0.000 0.298 14 V C -0.309 175.784 176.094 -0.003 0.000 1.031 14 V CA -0.918 61.331 62.300 -0.084 0.000 0.871 14 V CB 1.517 33.253 31.823 -0.146 0.000 0.988 14 V HN 0.619 nan 8.190 nan 0.000 0.432 15 E N 5.795 126.016 120.200 0.035 0.000 2.238 15 E HA 0.080 4.430 4.350 -0.000 0.000 0.264 15 E C -0.597 176.099 176.600 0.161 0.000 1.136 15 E CA -0.310 56.141 56.400 0.084 0.000 0.929 15 E CB 0.532 30.287 29.700 0.091 0.000 1.010 15 E HN 0.696 nan 8.360 nan 0.000 0.440 16 L N 3.958 125.233 121.223 0.087 0.000 2.268 16 L HA 0.539 4.878 4.340 -0.000 0.000 0.289 16 L C -2.283 174.580 176.870 -0.011 0.000 1.064 16 L CA -2.103 52.760 54.840 0.039 0.000 0.824 16 L CB 0.394 42.454 42.059 0.002 0.000 1.202 16 L HN 0.167 nan 8.230 nan 0.000 0.433 17 P HA 0.169 nan 4.420 nan 0.000 0.280 17 P C 0.536 177.795 177.300 -0.068 0.000 1.244 17 P CA -0.495 62.573 63.100 -0.052 0.000 0.784 17 P CB 1.809 33.470 31.700 -0.064 0.000 0.913 18 V N 1.972 121.866 119.914 -0.033 0.000 3.646 18 V HA -0.004 4.116 4.120 -0.000 0.000 0.277 18 V C 1.221 177.301 176.094 -0.025 0.000 1.274 18 V CA 0.689 62.972 62.300 -0.029 0.000 1.164 18 V CB -0.993 30.822 31.823 -0.014 0.000 0.926 18 V HN 0.493 nan 8.190 nan 0.000 0.442 19 K N 1.257 121.641 120.400 -0.027 0.000 2.386 19 K HA 0.188 4.508 4.320 -0.000 0.000 0.249 19 K C 0.520 177.108 176.600 -0.020 0.000 1.055 19 K CA -0.318 55.960 56.287 -0.015 0.000 0.930 19 K CB 0.355 32.853 32.500 -0.004 0.000 1.230 19 K HN 0.359 nan 8.250 nan 0.000 0.507 20 E N 1.782 121.978 120.200 -0.006 0.000 2.129 20 E HA 0.101 4.451 4.350 -0.000 0.000 0.283 20 E C -0.818 175.783 176.600 0.003 0.000 1.080 20 E CA -0.464 55.937 56.400 0.000 0.000 0.867 20 E CB 0.031 29.737 29.700 0.010 0.000 1.056 20 E HN 0.248 nan 8.360 nan 0.000 0.404 21 I N 2.716 123.283 120.570 -0.005 0.000 2.361 21 I HA 0.179 4.348 4.170 -0.000 0.000 0.282 21 I C 0.191 176.332 176.117 0.041 0.000 1.075 21 I CA -0.956 60.347 61.300 0.005 0.000 1.205 21 I CB 0.350 38.317 38.000 -0.055 0.000 1.406 21 I HN 0.214 nan 8.210 nan 0.000 0.481 22 T N 0.426 115.016 114.554 0.059 0.000 2.932 22 T HA 0.087 4.437 4.350 -0.000 0.000 0.312 22 T C 0.975 175.752 174.700 0.128 0.000 1.071 22 T CA -0.220 61.935 62.100 0.092 0.000 1.128 22 T CB 0.643 69.559 68.868 0.080 0.000 0.984 22 T HN 0.481 nan 8.240 nan 0.000 0.549 23 F N 2.464 122.420 119.950 0.010 0.000 2.063 23 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 23 F C 2.374 178.188 175.800 0.024 0.000 1.105 23 F CA 1.878 59.886 58.000 0.013 0.000 1.215 23 F CB -0.364 38.636 39.000 -0.001 0.000 0.972 23 F HN 0.627 nan 8.300 nan 0.000 0.483 24 K N -0.171 120.354 120.400 0.207 0.000 2.113 24 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 24 K C 2.004 178.598 176.600 -0.009 0.000 1.047 24 K CA 2.072 58.411 56.287 0.087 0.000 0.928 24 K CB -0.329 32.233 32.500 0.102 0.000 0.716 24 K HN 0.509 nan 8.250 nan 0.000 0.446 25 E N 0.459 120.667 120.200 0.014 0.000 2.086 25 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 25 E C 1.889 178.556 176.600 0.111 0.000 0.975 25 E CA 0.650 57.062 56.400 0.020 0.000 0.813 25 E CB 0.151 29.887 29.700 0.061 0.000 0.768 25 E HN 0.199 nan 8.360 nan 0.000 0.457 26 K N 0.768 121.210 120.400 0.069 0.000 2.103 26 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 26 K C 2.199 178.802 176.600 0.004 0.000 1.048 26 K CA 0.783 57.111 56.287 0.069 0.000 0.930 26 K CB -0.095 32.361 32.500 -0.073 0.000 0.716 26 K HN 0.094 nan 8.250 nan 0.000 0.444 27 L N 1.280 122.404 121.223 -0.164 0.000 1.948 27 L HA -0.245 4.094 4.340 -0.000 0.000 0.212 27 L C 2.199 179.051 176.870 -0.030 0.000 1.074 27 L CA 1.610 56.345 54.840 -0.176 0.000 0.753 27 L CB -0.211 41.681 42.059 -0.278 0.000 0.888 27 L HN 0.089 nan 8.230 nan 0.000 0.432 28 K N -1.185 119.196 120.400 -0.031 0.000 2.160 28 K HA -0.266 4.054 4.320 -0.000 0.000 0.206 28 K C 1.781 178.398 176.600 0.028 0.000 1.047 28 K CA 2.109 58.376 56.287 -0.033 0.000 0.930 28 K CB -0.345 32.094 32.500 -0.101 0.000 0.720 28 K HN 0.375 nan 8.250 nan 0.000 0.450 29 W N 1.241 122.541 121.300 -0.000 0.000 2.348 29 W HA -0.221 4.439 4.660 -0.000 0.000 0.324 29 W C 2.564 179.092 176.519 0.015 0.000 1.209 29 W CA 1.357 58.722 57.345 0.033 0.000 1.275 29 W CB -0.657 28.849 29.460 0.076 0.000 1.175 29 W HN 0.025 nan 8.180 nan 0.000 0.461 30 T N -0.013 114.711 114.554 0.283 0.000 2.594 30 T HA -0.339 4.011 4.350 -0.000 0.000 0.266 30 T C 1.699 176.477 174.700 0.130 0.000 1.070 30 T CA 2.157 64.330 62.100 0.122 0.000 1.166 30 T CB -1.406 67.475 68.868 0.021 0.000 0.862 30 T HN 0.430 nan 8.240 nan 0.000 0.436 31 G N 0.797 109.661 108.800 0.108 0.000 2.503 31 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.221 31 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.221 31 G C 1.546 176.536 174.900 0.150 0.000 1.131 31 G CA 1.060 46.224 45.100 0.107 0.000 0.756 31 G HN 0.490 nan 8.290 nan 0.000 0.572 32 I N 0.895 121.566 120.570 0.168 0.000 2.315 32 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 32 I C 2.789 179.047 176.117 0.234 0.000 1.117 32 I CA 0.821 62.231 61.300 0.183 0.000 1.404 32 I CB -0.107 38.004 38.000 0.185 0.000 1.071 32 I HN 0.084 nan 8.210 nan 0.000 0.419 33 V N 0.138 120.203 119.914 0.252 0.000 2.261 33 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 33 V C 2.461 178.747 176.094 0.320 0.000 1.047 33 V CA 1.782 64.239 62.300 0.262 0.000 1.015 33 V CB -1.358 30.577 31.823 0.186 0.000 0.642 33 V HN 0.472 nan 8.190 nan 0.000 0.446 34 L N 0.560 121.945 121.223 0.271 0.000 2.010 34 L HA -0.222 4.118 4.340 -0.000 0.000 0.219 34 L C 2.384 179.579 176.870 0.542 0.000 1.077 34 L CA 2.312 57.355 54.840 0.338 0.000 0.773 34 L CB -0.635 41.611 42.059 0.312 0.000 0.892 34 L HN 0.173 nan 8.230 nan 0.000 0.436 35 V N -0.556 119.638 119.914 0.467 0.000 2.261 35 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 35 V C 2.570 178.910 176.094 0.410 0.000 1.047 35 V CA 1.977 64.573 62.300 0.494 0.000 1.015 35 V CB -0.723 31.244 31.823 0.240 0.000 0.642 35 V HN 0.478 nan 8.190 nan 0.000 0.446 36 L N -1.052 120.341 121.223 0.284 0.000 2.189 36 L HA -0.270 4.069 4.340 -0.000 0.000 0.214 36 L C 2.461 179.433 176.870 0.171 0.000 1.097 36 L CA 2.061 57.021 54.840 0.200 0.000 0.764 36 L CB -0.691 41.471 42.059 0.171 0.000 0.900 36 L HN 0.462 nan 8.230 nan 0.000 0.436 37 Y N 0.254 120.599 120.300 0.076 0.000 2.114 37 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 37 Y C 2.282 178.090 175.900 -0.153 0.000 1.143 37 Y CA 1.729 59.748 58.100 -0.136 0.000 1.135 37 Y CB -0.398 37.925 38.460 -0.229 0.000 0.980 37 Y HN -0.033 nan 8.280 nan 0.000 0.499 38 F N -0.177 119.886 119.950 0.188 0.000 2.134 38 F HA -0.286 4.241 4.527 -0.000 0.000 0.299 38 F C 2.275 178.069 175.800 -0.010 0.000 1.097 38 F CA 1.034 59.089 58.000 0.091 0.000 1.264 38 F CB -0.730 38.358 39.000 0.146 0.000 1.001 38 F HN 0.052 nan 8.300 nan 0.000 0.479 39 I N 0.138 120.829 120.570 0.202 0.000 2.087 39 I HA -0.360 3.810 4.170 -0.000 0.000 0.240 39 I C 2.345 178.470 176.117 0.013 0.000 1.054 39 I CA 1.972 63.331 61.300 0.098 0.000 1.311 39 I CB -1.340 36.713 38.000 0.088 0.000 1.024 39 I HN 0.241 nan 8.210 nan 0.000 0.402 40 M N 0.273 119.839 119.600 -0.058 0.000 2.067 40 M HA -0.106 4.374 4.480 -0.000 0.000 0.260 40 M C 2.345 178.550 176.300 -0.159 0.000 1.069 40 M CA 2.031 57.261 55.300 -0.117 0.000 1.117 40 M CB -1.083 31.411 32.600 -0.177 0.000 1.334 40 M HN 0.341 nan 8.290 nan 0.000 0.407 41 G N 0.083 108.714 108.800 -0.282 0.000 2.516 41 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 41 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 41 G C 1.588 176.435 174.900 -0.089 0.000 1.107 41 G CA 1.295 46.233 45.100 -0.269 0.000 0.747 41 G HN 0.687 nan 8.290 nan 0.000 0.567 42 C N -0.711 118.572 119.300 -0.028 0.000 2.543 42 C HA 0.470 4.930 4.460 -0.000 0.000 0.289 42 C C 1.373 176.371 174.990 0.013 0.000 1.368 42 C CA -1.274 57.757 59.018 0.022 0.000 1.778 42 C CB -0.682 27.096 27.740 0.063 0.000 2.155 42 C HN 0.146 nan 8.230 nan 0.000 0.529 43 I N 3.973 124.548 120.570 0.009 0.000 2.919 43 I HA 0.059 4.229 4.170 -0.000 0.000 0.303 43 I C -0.115 176.011 176.117 0.015 0.000 1.221 43 I CA 0.767 62.076 61.300 0.014 0.000 1.444 43 I CB -0.784 37.222 38.000 0.010 0.000 1.331 43 I HN 0.474 nan 8.210 nan 0.000 0.572 44 D N 3.948 124.367 120.400 0.031 0.000 2.348 44 D HA 0.360 5.000 4.640 -0.000 0.000 0.249 44 D C -0.215 176.119 176.300 0.057 0.000 1.110 44 D CA -0.293 53.733 54.000 0.044 0.000 0.967 44 D CB 1.190 42.018 40.800 0.047 0.000 1.139 44 D HN 0.389 nan 8.370 nan 0.000 0.466 45 V N 0.190 120.147 119.914 0.072 0.000 2.649 45 V HA 0.172 4.292 4.120 -0.000 0.000 0.292 45 V C -0.230 175.907 176.094 0.071 0.000 1.055 45 V CA -0.852 61.487 62.300 0.065 0.000 1.023 45 V CB 0.365 32.221 31.823 0.056 0.000 0.992 45 V HN 0.431 nan 8.190 nan 0.000 0.480 46 Y N 3.745 124.021 120.300 -0.039 0.000 2.754 46 Y HA 0.419 4.969 4.550 -0.000 0.000 0.349 46 Y C 0.284 176.153 175.900 -0.052 0.000 1.179 46 Y CA 0.714 58.791 58.100 -0.040 0.000 1.538 46 Y CB -0.510 37.920 38.460 -0.050 0.000 1.200 46 Y HN 0.940 nan 8.280 nan 0.000 0.522 47 T N 6.056 120.353 114.554 -0.429 0.000 3.705 47 T HA 0.406 4.756 4.350 -0.000 0.000 0.342 47 T C 0.667 175.190 174.700 -0.295 0.000 1.043 47 T CA -0.217 61.633 62.100 -0.416 0.000 1.071 47 T CB 1.078 69.820 68.868 -0.211 0.000 1.124 47 T HN 0.675 nan 8.240 nan 0.000 0.467 48 A N 2.273 124.895 122.820 -0.330 0.000 1.948 48 A HA 0.148 4.468 4.320 -0.000 0.000 0.220 48 A C 1.780 179.307 177.584 -0.095 0.000 1.177 48 A CA 1.580 53.510 52.037 -0.178 0.000 0.636 48 A CB -0.763 18.147 19.000 -0.150 0.000 0.815 48 A HN 0.963 nan 8.150 nan 0.000 0.449 49 G N -0.506 108.243 108.800 -0.085 0.000 2.789 49 G HA2 0.374 4.334 3.960 -0.000 0.000 0.281 49 G HA3 0.374 4.334 3.960 -0.000 0.000 0.281 49 G C 0.867 175.759 174.900 -0.012 0.000 0.708 49 G CA 0.354 45.433 45.100 -0.035 0.000 2.067 49 G HN 0.752 nan 8.290 nan 0.000 0.554 50 A N 1.949 124.759 122.820 -0.016 0.000 2.272 50 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 50 A C 1.364 178.949 177.584 0.002 0.000 1.183 50 A CA 0.676 52.711 52.037 -0.004 0.000 0.719 50 A CB -0.028 18.969 19.000 -0.005 0.000 0.771 50 A HN 0.613 nan 8.150 nan 0.000 0.484 51 Q N -0.235 119.567 119.800 0.003 0.000 2.340 51 Q HA 0.555 4.895 4.340 -0.000 0.000 0.259 51 Q C -1.537 174.464 176.000 0.001 0.000 0.964 51 Q CA -0.292 55.511 55.803 -0.000 0.000 0.900 51 Q CB 1.401 30.139 28.738 -0.000 0.000 1.228 51 Q HN 0.403 nan 8.270 nan 0.000 0.449 52 I N 3.258 123.813 120.570 -0.024 0.000 2.465 52 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 52 I C -2.211 173.854 176.117 -0.086 0.000 1.014 52 I CA -2.481 58.778 61.300 -0.068 0.000 1.093 52 I CB 1.370 39.292 38.000 -0.129 0.000 1.267 52 I HN 0.387 nan 8.210 nan 0.000 0.431 53 P HA 0.289 nan 4.420 nan 0.000 0.252 53 P C 0.478 177.732 177.300 -0.076 0.000 1.635 53 P CA 0.415 63.478 63.100 -0.062 0.000 1.206 53 P CB -0.056 31.623 31.700 -0.036 0.000 1.911 54 A N 2.548 125.332 122.820 -0.060 0.000 5.483 54 A HA -0.261 4.059 4.320 -0.000 0.000 0.309 54 A C 0.208 177.722 177.584 -0.117 0.000 1.898 54 A CA 1.413 53.422 52.037 -0.047 0.000 0.716 54 A CB -1.845 17.162 19.000 0.011 0.000 1.309 54 A HN 0.403 nan 8.150 nan 0.000 0.380 55 I N -3.608 116.914 120.570 -0.081 0.000 3.149 55 I HA 0.464 4.633 4.170 -0.000 0.000 0.310 55 I C -0.712 175.411 176.117 0.010 0.000 1.343 55 I CA -0.660 60.533 61.300 -0.179 0.000 0.955 55 I CB 1.872 39.801 38.000 -0.119 0.000 1.309 55 I HN 0.569 nan 8.210 nan 0.000 0.478 56 F N 2.407 122.166 119.950 -0.318 0.000 2.384 56 F HA 0.182 4.709 4.527 -0.000 0.000 0.359 56 F C 0.829 176.237 175.800 -0.653 0.000 1.143 56 F CA -0.754 56.822 58.000 -0.707 0.000 1.216 56 F CB 0.477 38.829 39.000 -1.081 0.000 1.512 56 F HN 0.483 nan 8.300 nan 0.000 0.573 57 E N 3.071 123.221 120.200 -0.084 0.000 2.323 57 E HA -0.008 4.342 4.350 -0.000 0.000 0.313 57 E C -0.165 176.557 176.600 0.202 0.000 1.236 57 E CA 0.120 56.569 56.400 0.081 0.000 1.333 57 E CB -0.536 29.253 29.700 0.149 0.000 1.138 57 E HN 0.758 nan 8.360 nan 0.000 0.492 58 F N -1.622 118.493 119.950 0.275 0.000 2.466 58 F HA 0.122 4.649 4.527 -0.000 0.000 0.421 58 F C 1.056 177.061 175.800 0.341 0.000 0.838 58 F CA -0.884 57.249 58.000 0.221 0.000 0.867 58 F CB -0.516 38.564 39.000 0.133 0.000 1.150 58 F HN 0.237 nan 8.300 nan 0.000 0.583 59 W N 3.114 124.580 121.300 0.277 0.000 2.574 59 W HA 0.134 4.794 4.660 -0.000 0.000 0.282 59 W C 1.740 178.391 176.519 0.219 0.000 1.197 59 W CA 1.830 59.395 57.345 0.367 0.000 1.376 59 W CB -0.241 29.472 29.460 0.422 0.000 1.091 59 W HN 0.204 nan 8.180 nan 0.000 0.569 60 Q N 0.869 120.839 119.800 0.283 0.000 1.943 60 Q HA -0.250 4.090 4.340 -0.000 0.000 0.213 60 Q C 2.078 178.091 176.000 0.021 0.000 1.017 60 Q CA 3.275 59.154 55.803 0.127 0.000 0.874 60 Q CB -1.148 27.683 28.738 0.154 0.000 0.960 60 Q HN 0.076 nan 8.270 nan 0.000 0.417 61 T N 1.494 116.108 114.554 0.100 0.000 2.152 61 T HA -0.276 4.074 4.350 -0.000 0.000 0.194 61 T C 1.855 176.555 174.700 0.000 0.000 1.715 61 T CA 2.167 64.313 62.100 0.076 0.000 1.135 61 T CB -0.728 68.232 68.868 0.152 0.000 0.856 61 T HN 0.171 nan 8.240 nan 0.000 0.393 62 I N 1.534 122.104 120.570 -0.000 0.000 2.121 62 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 62 I C 2.602 178.611 176.117 -0.180 0.000 1.047 62 I CA 1.832 63.087 61.300 -0.076 0.000 1.308 62 I CB -1.421 36.540 38.000 -0.065 0.000 1.015 62 I HN 0.350 nan 8.210 nan 0.000 0.410 63 T N 1.102 115.440 114.554 -0.360 0.000 3.163 63 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 63 T C 1.019 175.577 174.700 -0.237 0.000 1.156 63 T CA 0.651 62.442 62.100 -0.515 0.000 1.072 63 T CB -0.780 67.327 68.868 -1.269 0.000 0.937 63 T HN 0.567 nan 8.240 nan 0.000 0.528 64 A N 1.765 124.519 122.820 -0.110 0.000 1.928 64 A HA -0.129 4.191 4.320 -0.000 0.000 0.252 64 A C 1.430 179.041 177.584 0.045 0.000 1.250 64 A CA 0.857 52.897 52.037 0.005 0.000 0.764 64 A CB -1.365 17.656 19.000 0.035 0.000 1.129 64 A HN 0.727 nan 8.150 nan 0.000 0.318 65 S N -0.152 115.548 115.700 -0.000 0.000 3.571 65 S HA 0.775 5.244 4.470 -0.000 0.000 0.175 65 S C 0.310 174.890 174.600 -0.033 0.000 0.907 65 S CA 0.392 58.569 58.200 -0.039 0.000 1.087 65 S CB 0.722 63.901 63.200 -0.035 0.000 1.471 65 S HN 1.834 nan 8.310 nan 0.000 0.877 66 R N 0.299 120.810 120.500 0.019 0.000 7.107 66 R HA 0.079 4.419 4.340 -0.000 0.000 0.265 66 R C -2.029 174.281 176.300 0.016 0.000 0.795 66 R CA -0.219 55.893 56.100 0.020 0.000 1.772 66 R CB -0.722 29.564 30.300 -0.024 0.000 1.264 66 R HN 0.640 nan 8.270 nan 0.000 0.846 67 I N 3.997 124.584 120.570 0.029 0.000 2.618 67 I HA 0.252 4.422 4.170 -0.000 0.000 0.284 67 I C 1.541 177.607 176.117 -0.085 0.000 1.146 67 I CA 1.498 62.780 61.300 -0.030 0.000 1.425 67 I CB 1.081 39.003 38.000 -0.129 0.000 1.383 67 I HN 1.017 nan 8.210 nan 0.000 0.562 68 G N 3.731 112.501 108.800 -0.051 0.000 2.213 68 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.226 68 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.226 68 G C 0.259 175.205 174.900 0.076 0.000 0.992 68 G CA 0.114 45.227 45.100 0.023 0.000 0.632 68 G HN 0.794 nan 8.290 nan 0.000 0.511 69 T N -1.447 113.128 114.554 0.035 0.000 2.937 69 T HA 0.669 5.019 4.350 -0.000 0.000 0.283 69 T C 1.223 175.919 174.700 -0.007 0.000 1.012 69 T CA -0.364 61.740 62.100 0.006 0.000 0.997 69 T CB 1.423 70.267 68.868 -0.040 0.000 1.136 69 T HN 0.268 nan 8.240 nan 0.000 0.551 70 L N 0.507 121.710 121.223 -0.033 0.000 2.651 70 L HA 0.168 4.508 4.340 -0.000 0.000 0.236 70 L C 1.504 178.318 176.870 -0.093 0.000 1.173 70 L CA 1.267 56.077 54.840 -0.049 0.000 0.843 70 L CB -1.195 40.834 42.059 -0.051 0.000 0.964 70 L HN 0.738 nan 8.230 nan 0.000 0.454 71 I N -7.352 113.144 120.570 -0.122 0.000 3.813 71 I HA 0.178 4.348 4.170 -0.000 0.000 0.323 71 I C 1.127 177.174 176.117 -0.116 0.000 1.536 71 I CA -0.061 61.137 61.300 -0.170 0.000 1.083 71 I CB -0.426 37.381 38.000 -0.323 0.000 1.265 71 I HN -0.223 nan 8.210 nan 0.000 0.507 72 T N 1.447 115.960 114.554 -0.068 0.000 2.896 72 T HA -0.126 4.223 4.350 -0.000 0.000 0.270 72 T C 1.502 176.110 174.700 -0.154 0.000 1.104 72 T CA 1.671 63.737 62.100 -0.056 0.000 1.115 72 T CB -0.093 68.792 68.868 0.028 0.000 0.843 72 T HN 0.334 nan 8.240 nan 0.000 0.523 73 L N -0.550 120.599 121.223 -0.124 0.000 2.575 73 L HA 0.415 4.755 4.340 -0.000 0.000 0.228 73 L C 1.570 178.500 176.870 0.101 0.000 1.075 73 L CA 0.955 55.766 54.840 -0.048 0.000 0.867 73 L CB -0.800 41.198 42.059 -0.102 0.000 1.097 73 L HN 0.360 nan 8.230 nan 0.000 0.485 74 G N 0.289 109.073 108.800 -0.027 0.000 2.564 74 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.309 74 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.309 74 G C 0.991 175.860 174.900 -0.052 0.000 1.320 74 G CA 0.175 45.231 45.100 -0.074 0.000 0.941 74 G HN 0.098 nan 8.290 nan 0.000 0.543 75 I N 2.653 123.186 120.570 -0.061 0.000 2.850 75 I HA -0.103 4.067 4.170 -0.000 0.000 0.266 75 I C 3.001 179.083 176.117 -0.058 0.000 1.257 75 I CA 1.764 63.052 61.300 -0.020 0.000 1.465 75 I CB -2.191 35.819 38.000 0.016 0.000 1.091 75 I HN 0.744 nan 8.210 nan 0.000 0.467 76 G N 2.366 111.074 108.800 -0.153 0.000 2.624 76 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 76 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 76 G C -0.407 174.551 174.900 0.098 0.000 1.169 76 G CA 0.961 45.943 45.100 -0.197 0.000 0.771 76 G HN 0.307 nan 8.290 nan 0.000 0.598 77 P HA -0.062 nan 4.420 nan 0.000 0.210 77 P C 2.096 179.463 177.300 0.112 0.000 1.189 77 P CA 0.999 64.198 63.100 0.165 0.000 0.920 77 P CB -0.218 31.552 31.700 0.117 0.000 0.782 78 I N -1.019 119.597 120.570 0.077 0.000 2.182 78 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 78 I C 2.134 178.287 176.117 0.060 0.000 1.073 78 I CA 1.702 63.041 61.300 0.064 0.000 1.335 78 I CB -1.181 36.856 38.000 0.063 0.000 1.031 78 I HN -0.138 nan 8.210 nan 0.000 0.420 79 V N 0.574 120.515 119.914 0.046 0.000 2.283 79 V HA -0.234 3.886 4.120 -0.000 0.000 0.243 79 V C 2.516 178.655 176.094 0.075 0.000 1.039 79 V CA 2.468 64.790 62.300 0.036 0.000 1.016 79 V CB -1.175 30.636 31.823 -0.019 0.000 0.650 79 V HN 0.486 nan 8.190 nan 0.000 0.449 80 T N 1.150 115.768 114.554 0.107 0.000 2.570 80 T HA -0.325 4.025 4.350 -0.000 0.000 0.266 80 T C 2.085 176.850 174.700 0.109 0.000 1.071 80 T CA 2.169 64.354 62.100 0.142 0.000 1.172 80 T CB -0.857 68.137 68.868 0.209 0.000 0.864 80 T HN 0.582 nan 8.240 nan 0.000 0.421 81 A N 1.974 124.853 122.820 0.098 0.000 1.870 81 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 81 A C 2.747 180.361 177.584 0.050 0.000 1.224 81 A CA 2.577 54.653 52.037 0.064 0.000 0.650 81 A CB -1.729 17.300 19.000 0.049 0.000 0.836 81 A HN 0.606 nan 8.150 nan 0.000 0.454 82 G N -0.447 108.388 108.800 0.059 0.000 2.507 82 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 82 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 82 G C 1.485 176.475 174.900 0.151 0.000 1.119 82 G CA 1.279 46.434 45.100 0.091 0.000 0.751 82 G HN 0.567 nan 8.290 nan 0.000 0.574 83 I N 0.620 121.280 120.570 0.150 0.000 2.179 83 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 83 I C 2.679 178.864 176.117 0.112 0.000 1.088 83 I CA 0.930 62.353 61.300 0.204 0.000 1.357 83 I CB -0.291 37.831 38.000 0.204 0.000 1.051 83 I HN 0.198 nan 8.210 nan 0.000 0.409 84 I N -0.047 120.559 120.570 0.061 0.000 2.113 84 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 84 I C 2.671 178.806 176.117 0.029 0.000 1.070 84 I CA 1.113 62.421 61.300 0.013 0.000 1.332 84 I CB -0.574 37.432 38.000 0.011 0.000 1.044 84 I HN 0.168 nan 8.210 nan 0.000 0.402 85 M N 0.674 120.304 119.600 0.051 0.000 2.226 85 M HA -0.277 4.203 4.480 -0.000 0.000 0.257 85 M C 2.383 178.834 176.300 0.252 0.000 1.070 85 M CA 1.941 57.308 55.300 0.112 0.000 1.087 85 M CB -1.625 30.928 32.600 -0.078 0.000 1.278 85 M HN 0.328 nan 8.290 nan 0.000 0.426 86 Q N -0.012 119.951 119.800 0.273 0.000 2.248 86 Q HA -0.091 4.249 4.340 -0.000 0.000 0.208 86 Q C 2.305 178.283 176.000 -0.037 0.000 0.984 86 Q CA 1.291 57.242 55.803 0.246 0.000 0.875 86 Q CB -0.691 28.232 28.738 0.307 0.000 0.910 86 Q HN 0.592 nan 8.270 nan 0.000 0.433 87 L N -0.407 120.728 121.223 -0.146 0.000 2.023 87 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 87 L C 2.297 179.077 176.870 -0.150 0.000 1.073 87 L CA 0.739 55.372 54.840 -0.346 0.000 0.745 87 L CB -0.348 41.561 42.059 -0.249 0.000 0.900 87 L HN 0.168 nan 8.230 nan 0.000 0.435 88 L N -1.078 120.136 121.223 -0.015 0.000 1.938 88 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 88 L C 2.277 179.208 176.870 0.102 0.000 1.085 88 L CA 0.720 55.586 54.840 0.044 0.000 0.760 88 L CB -0.880 41.217 42.059 0.062 0.000 0.888 88 L HN -0.044 nan 8.230 nan 0.000 0.433 89 V N 0.760 120.768 119.914 0.158 0.000 3.207 89 V HA -0.212 3.908 4.120 -0.000 0.000 0.273 89 V C 2.060 178.238 176.094 0.138 0.000 1.182 89 V CA 1.605 63.995 62.300 0.149 0.000 1.186 89 V CB -1.657 30.307 31.823 0.234 0.000 0.801 89 V HN 0.669 nan 8.190 nan 0.000 0.548 90 G N 0.093 109.032 108.800 0.232 0.000 2.692 90 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.209 90 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.209 90 G C 1.309 176.559 174.900 0.583 0.000 1.166 90 G CA 0.678 46.114 45.100 0.560 0.000 0.844 90 G HN 0.645 nan 8.290 nan 0.000 0.596 91 S N 0.673 116.687 115.700 0.523 0.000 2.906 91 S HA 0.375 4.845 4.470 -0.000 0.000 0.234 91 S C 1.869 176.562 174.600 0.155 0.000 0.973 91 S CA 0.827 59.264 58.200 0.395 0.000 1.036 91 S CB -0.442 62.936 63.200 0.297 0.000 0.798 91 S HN 1.478 nan 8.310 nan 0.000 0.498 92 G N 2.172 111.042 108.800 0.117 0.000 2.413 92 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.259 92 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.259 92 G C 0.814 175.745 174.900 0.051 0.000 1.003 92 G CA 0.573 45.707 45.100 0.056 0.000 0.629 92 G HN 0.620 nan 8.290 nan 0.000 0.548 93 I N 0.268 120.874 120.570 0.061 0.000 2.285 93 I HA -0.226 3.944 4.170 -0.000 0.000 0.254 93 I C 1.520 177.662 176.117 0.040 0.000 1.093 93 I CA 1.833 63.159 61.300 0.044 0.000 1.368 93 I CB -0.195 37.830 38.000 0.040 0.000 1.054 93 I HN 0.357 nan 8.210 nan 0.000 0.435 94 I N 0.315 120.914 120.570 0.049 0.000 2.900 94 I HA 0.122 4.292 4.170 -0.000 0.000 0.331 94 I C -0.266 175.877 176.117 0.043 0.000 1.427 94 I CA -0.415 60.913 61.300 0.047 0.000 0.836 94 I CB 0.256 38.292 38.000 0.060 0.000 2.115 94 I HN 0.107 nan 8.210 nan 0.000 0.578 95 Q N 2.949 122.766 119.800 0.028 0.000 2.757 95 Q HA 0.071 4.411 4.340 -0.000 0.000 0.366 95 Q C -0.506 175.496 176.000 0.003 0.000 1.083 95 Q CA 1.102 56.910 55.803 0.009 0.000 1.146 95 Q CB 0.424 29.163 28.738 0.001 0.000 1.060 95 Q HN 0.470 nan 8.270 nan 0.000 0.416 96 M N 2.116 121.705 119.600 -0.018 0.000 2.322 96 M HA 0.194 4.674 4.480 -0.000 0.000 0.286 96 M C -1.273 174.988 176.300 -0.064 0.000 1.111 96 M CA -0.573 54.711 55.300 -0.026 0.000 0.941 96 M CB 2.193 34.789 32.600 -0.007 0.000 1.671 96 M HN 0.416 nan 8.290 nan 0.000 0.470 97 D N 4.124 124.493 120.400 -0.053 0.000 2.493 97 D HA 0.296 4.936 4.640 -0.000 0.000 0.235 97 D C 0.980 177.240 176.300 -0.067 0.000 1.117 97 D CA -0.100 53.860 54.000 -0.067 0.000 0.930 97 D CB 0.757 41.527 40.800 -0.049 0.000 1.010 97 D HN 0.660 nan 8.370 nan 0.000 0.514 98 L N 1.931 123.094 121.223 -0.100 0.000 2.064 98 L HA -0.367 3.973 4.340 -0.000 0.000 0.216 98 L C 2.599 179.432 176.870 -0.061 0.000 1.077 98 L CA 1.513 56.300 54.840 -0.089 0.000 0.766 98 L CB -1.019 40.949 42.059 -0.152 0.000 0.890 98 L HN 0.421 nan 8.230 nan 0.000 0.435 99 S N 0.526 116.184 115.700 -0.069 0.000 2.557 99 S HA -0.349 4.121 4.470 -0.000 0.000 0.344 99 S C 0.886 175.466 174.600 -0.034 0.000 1.291 99 S CA 1.646 59.816 58.200 -0.051 0.000 1.306 99 S CB -1.714 61.459 63.200 -0.045 0.000 1.335 99 S HN 0.366 nan 8.310 nan 0.000 0.466 100 I N 3.567 124.121 120.570 -0.026 0.000 2.752 100 I HA 0.084 4.254 4.170 -0.000 0.000 0.287 100 I C -1.491 174.621 176.117 -0.009 0.000 1.188 100 I CA -1.524 59.767 61.300 -0.015 0.000 1.427 100 I CB 0.286 38.280 38.000 -0.010 0.000 1.365 100 I HN 0.149 nan 8.210 nan 0.000 0.585 101 P HA -0.159 nan 4.420 nan 0.000 0.224 101 P C 0.803 178.109 177.300 0.010 0.000 1.142 101 P CA 1.178 64.279 63.100 0.002 0.000 0.778 101 P CB 0.165 31.866 31.700 0.001 0.000 0.764 102 E N -0.306 119.900 120.200 0.009 0.000 2.004 102 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 102 E C 1.722 178.339 176.600 0.029 0.000 0.981 102 E CA 1.190 57.600 56.400 0.017 0.000 0.842 102 E CB -0.696 29.012 29.700 0.013 0.000 0.796 102 E HN 0.196 nan 8.360 nan 0.000 0.477 103 N N 0.885 119.599 118.700 0.024 0.000 2.096 103 N HA -0.245 4.495 4.740 -0.000 0.000 0.195 103 N C 1.699 177.248 175.510 0.064 0.000 1.017 103 N CA 1.432 54.504 53.050 0.037 0.000 0.870 103 N CB -0.286 38.201 38.487 0.001 0.000 1.024 103 N HN 0.095 nan 8.380 nan 0.000 0.434 104 R N 0.541 121.062 120.500 0.034 0.000 2.088 104 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 104 R C 1.827 178.187 176.300 0.101 0.000 1.136 104 R CA 1.742 57.873 56.100 0.051 0.000 0.926 104 R CB -0.435 29.874 30.300 0.014 0.000 0.837 104 R HN 0.305 nan 8.270 nan 0.000 0.429 105 A N 0.538 123.396 122.820 0.063 0.000 2.172 105 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 105 A C 2.051 179.671 177.584 0.059 0.000 1.154 105 A CA 0.747 52.816 52.037 0.054 0.000 0.701 105 A CB -0.214 18.804 19.000 0.030 0.000 0.789 105 A HN 0.327 nan 8.150 nan 0.000 0.465 106 L N -2.529 118.744 121.223 0.082 0.000 2.071 106 L HA 0.005 4.345 4.340 -0.000 0.000 0.201 106 L C 2.345 179.279 176.870 0.108 0.000 1.076 106 L CA 1.129 56.017 54.840 0.080 0.000 0.755 106 L CB -0.736 41.372 42.059 0.082 0.000 0.915 106 L HN 0.421 nan 8.230 nan 0.000 0.445 107 F N 1.186 121.136 119.950 0.000 0.000 2.087 107 F HA -0.320 4.207 4.527 -0.000 0.000 0.299 107 F C 2.481 178.289 175.800 0.012 0.000 1.100 107 F CA 1.821 59.823 58.000 0.004 0.000 1.226 107 F CB -0.179 38.815 39.000 -0.010 0.000 0.983 107 F HN 0.036 nan 8.300 nan 0.000 0.479 108 Q N 0.266 120.091 119.800 0.042 0.000 1.813 108 Q HA 0.049 4.389 4.340 -0.000 0.000 0.261 108 Q C 2.623 178.574 176.000 -0.080 0.000 0.975 108 Q CA 1.909 57.677 55.803 -0.058 0.000 0.881 108 Q CB -1.511 27.253 28.738 0.042 0.000 0.924 108 Q HN 0.431 nan 8.270 nan 0.000 0.425 109 G N 0.339 109.124 108.800 -0.024 0.000 2.740 109 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.224 109 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.224 109 G C 1.814 176.694 174.900 -0.033 0.000 1.156 109 G CA 1.528 46.616 45.100 -0.020 0.000 0.766 109 G HN 0.540 nan 8.290 nan 0.000 0.623 110 C N -0.186 119.087 119.300 -0.045 0.000 2.386 110 C HA -0.142 4.318 4.460 -0.000 0.000 0.279 110 C C 2.803 177.743 174.990 -0.083 0.000 1.208 110 C CA 2.130 61.118 59.018 -0.050 0.000 1.747 110 C CB -1.156 26.554 27.740 -0.049 0.000 2.046 110 C HN 0.665 nan 8.230 nan 0.000 0.453 111 Q N 0.264 119.956 119.800 -0.180 0.000 2.096 111 Q HA -0.285 4.055 4.340 -0.000 0.000 0.208 111 Q C 2.365 178.316 176.000 -0.082 0.000 0.993 111 Q CA 2.187 57.877 55.803 -0.187 0.000 0.862 111 Q CB -0.341 28.186 28.738 -0.353 0.000 0.915 111 Q HN 0.603 nan 8.270 nan 0.000 0.416 112 K N 0.803 121.164 120.400 -0.065 0.000 2.001 112 K HA -0.209 4.111 4.320 -0.000 0.000 0.214 112 K C 2.103 178.716 176.600 0.021 0.000 1.050 112 K CA 1.460 57.738 56.287 -0.015 0.000 0.934 112 K CB -0.940 31.551 32.500 -0.016 0.000 0.718 112 K HN 0.378 nan 8.250 nan 0.000 0.443 113 L N 1.457 122.691 121.223 0.018 0.000 1.951 113 L HA -0.241 4.099 4.340 -0.000 0.000 0.222 113 L C 2.507 179.409 176.870 0.053 0.000 1.078 113 L CA 1.959 56.823 54.840 0.041 0.000 0.778 113 L CB -1.348 40.728 42.059 0.029 0.000 0.893 113 L HN 0.332 nan 8.230 nan 0.000 0.436 114 L N 0.261 121.506 121.223 0.036 0.000 2.103 114 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 114 L C 2.810 179.726 176.870 0.076 0.000 1.080 114 L CA 2.278 57.149 54.840 0.053 0.000 0.764 114 L CB -0.945 41.129 42.059 0.026 0.000 0.890 114 L HN 0.423 nan 8.230 nan 0.000 0.435 115 S N -1.038 114.698 115.700 0.061 0.000 2.370 115 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 115 S C 1.863 176.521 174.600 0.096 0.000 1.033 115 S CA 1.660 59.905 58.200 0.075 0.000 1.011 115 S CB -0.348 62.887 63.200 0.059 0.000 0.852 115 S HN 0.477 nan 8.310 nan 0.000 0.457 116 I N 1.306 121.940 120.570 0.107 0.000 2.394 116 I HA -0.056 4.114 4.170 -0.000 0.000 0.251 116 I C 2.010 178.276 176.117 0.248 0.000 1.136 116 I CA 0.810 62.197 61.300 0.145 0.000 1.425 116 I CB -0.407 37.681 38.000 0.146 0.000 1.079 116 I HN 0.316 nan 8.210 nan 0.000 0.425 117 I N -0.415 120.271 120.570 0.194 0.000 2.113 117 I HA -0.286 3.884 4.170 -0.000 0.000 0.238 117 I C 2.327 178.587 176.117 0.238 0.000 1.070 117 I CA 1.271 62.696 61.300 0.209 0.000 1.332 117 I CB -0.285 37.799 38.000 0.139 0.000 1.044 117 I HN 0.182 nan 8.210 nan 0.000 0.402 118 M N -0.312 119.403 119.600 0.191 0.000 2.446 118 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 118 M C 2.420 178.831 176.300 0.185 0.000 1.066 118 M CA 1.121 56.544 55.300 0.205 0.000 1.087 118 M CB -1.765 30.946 32.600 0.185 0.000 1.406 118 M HN 0.460 nan 8.290 nan 0.000 0.459 119 C N 0.056 119.438 119.300 0.137 0.000 2.436 119 C HA -0.192 4.268 4.460 -0.000 0.000 0.277 119 C C 2.645 177.595 174.990 -0.066 0.000 1.241 119 C CA 0.790 59.806 59.018 -0.004 0.000 1.721 119 C CB -1.054 26.619 27.740 -0.112 0.000 2.043 119 C HN 0.452 nan 8.230 nan 0.000 0.472 120 F N 0.616 120.614 119.950 0.081 0.000 2.098 120 F HA -0.066 4.461 4.527 -0.000 0.000 0.294 120 F C 2.329 178.181 175.800 0.087 0.000 1.107 120 F CA 1.748 59.797 58.000 0.081 0.000 1.234 120 F CB -1.129 37.920 39.000 0.081 0.000 1.002 120 F HN 0.019 nan 8.300 nan 0.000 0.472 121 V N 0.509 120.600 119.914 0.295 0.000 2.233 121 V HA -0.362 3.758 4.120 -0.000 0.000 0.252 121 V C 2.375 178.574 176.094 0.175 0.000 1.063 121 V CA 2.276 64.708 62.300 0.219 0.000 1.032 121 V CB -0.734 31.243 31.823 0.257 0.000 0.645 121 V HN 0.344 nan 8.190 nan 0.000 0.446 122 E N 0.218 120.537 120.200 0.198 0.000 2.070 122 E HA -0.277 4.072 4.350 -0.000 0.000 0.197 122 E C 2.379 179.053 176.600 0.123 0.000 1.004 122 E CA 1.605 58.112 56.400 0.178 0.000 0.805 122 E CB -0.608 29.214 29.700 0.204 0.000 0.744 122 E HN 0.612 nan 8.360 nan 0.000 0.451 123 A N 1.541 124.406 122.820 0.076 0.000 1.859 123 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 123 A C 2.696 180.354 177.584 0.124 0.000 1.209 123 A CA 2.355 54.426 52.037 0.058 0.000 0.639 123 A CB -1.105 17.890 19.000 -0.007 0.000 0.835 123 A HN 0.145 nan 8.150 nan 0.000 0.450 124 V N -0.396 119.584 119.914 0.110 0.000 2.287 124 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 124 V C 2.530 178.661 176.094 0.062 0.000 1.053 124 V CA 2.112 64.462 62.300 0.084 0.000 1.027 124 V CB -0.953 30.921 31.823 0.084 0.000 0.646 124 V HN 0.579 nan 8.190 nan 0.000 0.447 125 L N -1.044 120.202 121.223 0.037 0.000 2.079 125 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 125 L C 2.133 179.030 176.870 0.044 0.000 1.081 125 L CA 1.955 56.765 54.840 -0.051 0.000 0.752 125 L CB -0.596 41.382 42.059 -0.135 0.000 0.896 125 L HN 0.228 nan 8.230 nan 0.000 0.433 126 F N -1.180 118.745 119.950 -0.042 0.000 2.031 126 F HA -0.222 4.305 4.527 -0.000 0.000 0.295 126 F C 2.562 178.432 175.800 0.117 0.000 1.133 126 F CA 2.011 60.019 58.000 0.012 0.000 1.188 126 F CB -0.898 38.114 39.000 0.021 0.000 0.974 126 F HN -0.050 nan 8.300 nan 0.000 0.473 127 V N -0.057 120.041 119.914 0.307 0.000 2.392 127 V HA -0.202 3.917 4.120 -0.000 0.000 0.249 127 V C 2.318 178.470 176.094 0.097 0.000 1.059 127 V CA 2.274 64.713 62.300 0.232 0.000 1.051 127 V CB -1.161 30.696 31.823 0.057 0.000 0.658 127 V HN 0.445 nan 8.190 nan 0.000 0.455 128 G N -1.183 107.642 108.800 0.042 0.000 2.559 128 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.216 128 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.216 128 G C 1.370 176.244 174.900 -0.044 0.000 1.126 128 G CA 0.709 45.801 45.100 -0.014 0.000 0.778 128 G HN 0.800 nan 8.290 nan 0.000 0.543 129 A N -0.308 122.482 122.820 -0.050 0.000 2.275 129 A HA 0.518 4.838 4.320 -0.000 0.000 0.212 129 A C 1.685 179.264 177.584 -0.008 0.000 1.201 129 A CA 0.967 52.955 52.037 -0.082 0.000 0.843 129 A CB -0.300 18.611 19.000 -0.149 0.000 0.873 129 A HN 1.498 nan 8.150 nan 0.000 0.492 130 G N -1.131 107.680 108.800 0.018 0.000 2.326 130 G HA2 0.030 3.990 3.960 -0.000 0.000 0.286 130 G HA3 0.030 3.990 3.960 -0.000 0.000 0.286 130 G C 0.750 175.645 174.900 -0.008 0.000 1.096 130 G CA 0.327 45.451 45.100 0.041 0.000 1.003 130 G HN 1.358 nan 8.290 nan 0.000 0.503 131 A N -1.176 121.582 122.820 -0.104 0.000 2.178 131 A HA 0.619 4.939 4.320 -0.000 0.000 0.211 131 A C 1.536 178.678 177.584 -0.738 0.000 1.157 131 A CA 1.677 53.340 52.037 -0.622 0.000 0.780 131 A CB -0.063 18.346 19.000 -0.985 0.000 0.828 131 A HN 0.786 nan 8.150 nan 0.000 0.476 132 F N -2.751 117.114 119.950 -0.141 0.000 2.819 132 F HA 0.407 4.934 4.527 -0.000 0.000 0.325 132 F C 1.907 177.664 175.800 -0.071 0.000 1.041 132 F CA 0.317 58.256 58.000 -0.101 0.000 1.184 132 F CB 0.341 39.296 39.000 -0.076 0.000 1.019 132 F HN 0.309 nan 8.300 nan 0.000 0.590 133 G N 1.100 109.972 108.800 0.120 0.000 2.490 133 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.214 133 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.214 133 G C 0.249 175.177 174.900 0.047 0.000 1.151 133 G CA -0.075 45.061 45.100 0.059 0.000 0.684 133 G HN 0.150 nan 8.290 nan 0.000 0.518 134 I N 2.527 123.125 120.570 0.047 0.000 2.287 134 I HA 0.343 4.512 4.170 -0.000 0.000 0.290 134 I C 0.345 176.462 176.117 0.001 0.000 1.069 134 I CA -0.589 60.719 61.300 0.013 0.000 1.237 134 I CB 1.177 39.174 38.000 -0.006 0.000 1.418 134 I HN 0.069 nan 8.210 nan 0.000 0.481 135 L N 5.636 126.861 121.223 0.002 0.000 2.939 135 L HA 0.123 4.462 4.340 -0.000 0.000 0.239 135 L C 0.908 177.772 176.870 -0.010 0.000 1.325 135 L CA 0.258 55.096 54.840 -0.004 0.000 1.170 135 L CB -1.259 40.801 42.059 0.001 0.000 1.538 135 L HN 0.449 nan 8.230 nan 0.000 0.452 136 T N 2.015 116.559 114.554 -0.018 0.000 2.800 136 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 136 T C -1.171 173.528 174.700 -0.003 0.000 0.939 136 T CA -0.535 61.556 62.100 -0.015 0.000 1.199 136 T CB 0.255 69.108 68.868 -0.025 0.000 0.899 136 T HN 0.182 nan 8.240 nan 0.000 0.555 137 P HA -0.224 nan 4.420 nan 0.000 0.225 137 P C 1.496 178.824 177.300 0.047 0.000 1.154 137 P CA 0.689 63.801 63.100 0.020 0.000 0.885 137 P CB 0.106 31.806 31.700 0.001 0.000 0.785 138 L N -1.428 119.812 121.223 0.028 0.000 1.993 138 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 138 L C 2.167 179.091 176.870 0.089 0.000 1.074 138 L CA 1.764 56.634 54.840 0.050 0.000 0.746 138 L CB -1.647 40.423 42.059 0.018 0.000 0.896 138 L HN -0.141 nan 8.230 nan 0.000 0.435 139 L N 0.261 121.497 121.223 0.023 0.000 2.042 139 L HA -0.105 4.234 4.340 -0.000 0.000 0.210 139 L C 2.552 179.392 176.870 -0.050 0.000 1.076 139 L CA 2.089 56.913 54.840 -0.027 0.000 0.749 139 L CB -1.267 40.746 42.059 -0.078 0.000 0.893 139 L HN 0.384 nan 8.230 nan 0.000 0.432 140 A N -0.747 122.053 122.820 -0.033 0.000 1.873 140 A HA -0.328 3.992 4.320 -0.000 0.000 0.218 140 A C 2.294 179.858 177.584 -0.035 0.000 1.193 140 A CA 2.156 54.156 52.037 -0.061 0.000 0.629 140 A CB -1.344 17.649 19.000 -0.011 0.000 0.826 140 A HN 0.537 nan 8.150 nan 0.000 0.447 141 F N 0.887 120.798 119.950 -0.066 0.000 2.043 141 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 141 F C 1.985 177.753 175.800 -0.054 0.000 1.121 141 F CA 2.109 60.084 58.000 -0.042 0.000 1.199 141 F CB -0.563 38.419 39.000 -0.030 0.000 0.968 141 F HN 0.184 nan 8.300 nan 0.000 0.478 142 L N -0.376 120.802 121.223 -0.074 0.000 1.997 142 L HA -0.325 4.015 4.340 -0.000 0.000 0.216 142 L C 2.414 179.126 176.870 -0.264 0.000 1.074 142 L CA 1.709 56.452 54.840 -0.161 0.000 0.763 142 L CB -1.474 40.602 42.059 0.029 0.000 0.890 142 L HN 0.112 nan 8.230 nan 0.000 0.434 143 V N 0.341 120.110 119.914 -0.243 0.000 2.214 143 V HA -0.361 3.759 4.120 -0.000 0.000 0.247 143 V C 2.390 178.308 176.094 -0.293 0.000 1.051 143 V CA 2.379 64.496 62.300 -0.305 0.000 1.003 143 V CB -0.432 31.099 31.823 -0.487 0.000 0.635 143 V HN 0.322 nan 8.190 nan 0.000 0.447 144 I N -0.484 119.916 120.570 -0.282 0.000 2.161 144 I HA -0.368 3.802 4.170 -0.000 0.000 0.246 144 I C 2.339 178.332 176.117 -0.207 0.000 1.048 144 I CA 1.774 62.958 61.300 -0.194 0.000 1.314 144 I CB -0.498 37.423 38.000 -0.132 0.000 1.014 144 I HN 0.294 nan 8.210 nan 0.000 0.418 145 I N 0.592 120.947 120.570 -0.358 0.000 2.043 145 I HA -0.386 3.784 4.170 -0.000 0.000 0.231 145 I C 2.638 178.586 176.117 -0.281 0.000 1.024 145 I CA 1.928 62.997 61.300 -0.385 0.000 1.309 145 I CB -1.580 36.079 38.000 -0.568 0.000 1.030 145 I HN 0.395 nan 8.210 nan 0.000 0.389 146 Q N 0.111 119.754 119.800 -0.262 0.000 2.047 146 Q HA -0.253 4.087 4.340 -0.000 0.000 0.211 146 Q C 2.170 178.130 176.000 -0.068 0.000 1.005 146 Q CA 1.911 57.628 55.803 -0.144 0.000 0.866 146 Q CB -0.318 28.357 28.738 -0.104 0.000 0.938 146 Q HN 0.377 nan 8.270 nan 0.000 0.414 147 I N 0.825 121.338 120.570 -0.095 0.000 2.148 147 I HA -0.375 3.795 4.170 -0.000 0.000 0.229 147 I C 2.382 178.439 176.117 -0.101 0.000 0.993 147 I CA 2.060 63.312 61.300 -0.080 0.000 1.295 147 I CB -1.725 36.230 38.000 -0.075 0.000 1.004 147 I HN 0.311 nan 8.210 nan 0.000 0.386 148 A N -0.373 122.347 122.820 -0.167 0.000 1.986 148 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 148 A C 2.202 179.632 177.584 -0.258 0.000 1.171 148 A CA 1.638 53.483 52.037 -0.320 0.000 0.640 148 A CB -0.978 17.576 19.000 -0.744 0.000 0.811 148 A HN 0.389 nan 8.150 nan 0.000 0.451 149 F N 0.236 119.981 119.950 -0.341 0.000 2.234 149 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 149 F C 2.515 178.214 175.800 -0.169 0.000 1.087 149 F CA 0.733 58.597 58.000 -0.227 0.000 1.340 149 F CB -0.797 38.116 39.000 -0.145 0.000 1.031 149 F HN 0.268 nan 8.300 nan 0.000 0.500 150 G N -1.582 107.225 108.800 0.013 0.000 2.404 150 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.215 150 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.215 150 G C 1.900 176.746 174.900 -0.090 0.000 1.174 150 G CA 0.981 46.054 45.100 -0.044 0.000 0.780 150 G HN 0.371 nan 8.290 nan 0.000 0.537 151 S N 0.053 115.689 115.700 -0.107 0.000 2.383 151 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 151 S C 2.369 176.918 174.600 -0.084 0.000 1.030 151 S CA 0.976 59.115 58.200 -0.100 0.000 1.002 151 S CB -0.252 62.891 63.200 -0.094 0.000 0.829 151 S HN 0.172 nan 8.310 nan 0.000 0.467 152 I N 1.965 122.448 120.570 -0.145 0.000 2.099 152 I HA -0.175 3.995 4.170 -0.000 0.000 0.239 152 I C 2.332 178.402 176.117 -0.078 0.000 1.066 152 I CA 1.403 62.602 61.300 -0.167 0.000 1.324 152 I CB -1.368 36.401 38.000 -0.384 0.000 1.037 152 I HN 0.385 nan 8.210 nan 0.000 0.401 153 I N 0.519 121.035 120.570 -0.091 0.000 2.181 153 I HA -0.371 3.799 4.170 -0.000 0.000 0.247 153 I C 2.596 178.761 176.117 0.079 0.000 1.081 153 I CA 1.512 62.803 61.300 -0.015 0.000 1.340 153 I CB -0.359 37.631 38.000 -0.017 0.000 1.036 153 I HN 0.243 nan 8.210 nan 0.000 0.417 154 L N 0.368 121.613 121.223 0.037 0.000 2.017 154 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 154 L C 2.556 179.556 176.870 0.216 0.000 1.073 154 L CA 1.537 56.433 54.840 0.094 0.000 0.745 154 L CB -0.645 41.378 42.059 -0.060 0.000 0.894 154 L HN 0.231 nan 8.230 nan 0.000 0.432 155 I N -1.324 119.353 120.570 0.178 0.000 2.248 155 I HA -0.345 3.825 4.170 -0.000 0.000 0.248 155 I C 2.334 178.579 176.117 0.214 0.000 1.107 155 I CA 1.675 63.098 61.300 0.204 0.000 1.373 155 I CB -0.532 37.607 38.000 0.232 0.000 1.055 155 I HN 0.183 nan 8.210 nan 0.000 0.418 156 Y N 0.315 120.620 120.300 0.008 0.000 2.420 156 Y HA 0.069 4.619 4.550 -0.000 0.000 0.292 156 Y C 2.303 178.198 175.900 -0.008 0.000 1.119 156 Y CA 0.522 58.613 58.100 -0.015 0.000 1.229 156 Y CB -0.337 38.102 38.460 -0.035 0.000 1.026 156 Y HN 0.051 nan 8.280 nan 0.000 0.554 157 L N -0.348 120.991 121.223 0.193 0.000 2.156 157 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 157 L C 2.078 179.010 176.870 0.103 0.000 1.095 157 L CA 1.566 56.508 54.840 0.169 0.000 0.770 157 L CB -0.307 41.942 42.059 0.317 0.000 0.914 157 L HN 0.159 nan 8.230 nan 0.000 0.439 158 D N -0.012 120.471 120.400 0.138 0.000 2.084 158 D HA -0.221 4.419 4.640 -0.000 0.000 0.194 158 D C 2.019 178.271 176.300 -0.080 0.000 0.990 158 D CA 1.281 55.285 54.000 0.007 0.000 0.826 158 D CB 0.140 40.979 40.800 0.065 0.000 0.971 158 D HN 0.108 nan 8.370 nan 0.000 0.453 159 E N 0.305 120.443 120.200 -0.103 0.000 2.086 159 E HA -0.205 4.145 4.350 -0.000 0.000 0.200 159 E C 2.509 179.004 176.600 -0.175 0.000 1.012 159 E CA 0.881 57.180 56.400 -0.169 0.000 0.812 159 E CB -0.485 29.034 29.700 -0.301 0.000 0.743 159 E HN 0.511 nan 8.360 nan 0.000 0.453 160 I N 0.815 121.254 120.570 -0.217 0.000 2.052 160 I HA -0.311 3.859 4.170 -0.000 0.000 0.235 160 I C 2.579 178.538 176.117 -0.263 0.000 1.046 160 I CA 1.295 62.380 61.300 -0.358 0.000 1.308 160 I CB -0.822 36.933 38.000 -0.409 0.000 1.031 160 I HN -0.062 nan 8.210 nan 0.000 0.395 161 V N 0.555 120.354 119.914 -0.191 0.000 2.250 161 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 161 V C 2.471 178.496 176.094 -0.116 0.000 1.060 161 V CA 2.457 64.670 62.300 -0.146 0.000 1.030 161 V CB -1.179 30.534 31.823 -0.183 0.000 0.643 161 V HN 0.426 nan 8.190 nan 0.000 0.445 162 S N -0.378 115.254 115.700 -0.114 0.000 2.440 162 S HA -0.201 4.269 4.470 -0.000 0.000 0.240 162 S C 1.446 176.014 174.600 -0.054 0.000 1.014 162 S CA 1.731 59.883 58.200 -0.080 0.000 0.980 162 S CB -0.257 62.897 63.200 -0.076 0.000 0.775 162 S HN 0.747 nan 8.310 nan 0.000 0.499 163 K N -1.405 118.977 120.400 -0.030 0.000 2.562 163 K HA 0.268 4.588 4.320 -0.000 0.000 0.201 163 K C -0.471 176.141 176.600 0.020 0.000 1.131 163 K CA 0.030 56.323 56.287 0.011 0.000 1.059 163 K CB 0.859 33.396 32.500 0.062 0.000 0.913 163 K HN 0.225 nan 8.250 nan 0.000 0.563 164 Y N -0.807 119.311 120.300 -0.304 0.000 2.648 164 Y HA 0.254 4.804 4.550 -0.000 0.000 0.270 164 Y C 0.985 176.749 175.900 -0.227 0.000 1.043 164 Y CA -0.383 57.454 58.100 -0.438 0.000 1.238 164 Y CB 1.738 39.509 38.460 -1.147 0.000 1.385 164 Y HN 0.104 nan 8.280 nan 0.000 0.569 165 G N -0.329 108.459 108.800 -0.021 0.000 3.310 165 G HA2 0.561 4.521 3.960 -0.000 0.000 0.174 165 G HA3 0.561 4.521 3.960 -0.000 0.000 0.174 165 G C -0.783 174.089 174.900 -0.047 0.000 1.097 165 G CA -0.483 44.631 45.100 0.023 0.000 0.795 165 G HN -0.090 nan 8.290 nan 0.000 0.670 166 I N -0.115 120.413 120.570 -0.070 0.000 3.170 166 I HA 0.625 4.795 4.170 -0.000 0.000 0.312 166 I C 1.280 177.341 176.117 -0.092 0.000 1.085 166 I CA -0.274 60.971 61.300 -0.090 0.000 0.999 166 I CB 1.523 39.450 38.000 -0.122 0.000 1.233 166 I HN 1.025 nan 8.210 nan 0.000 0.467 167 G N 1.965 110.714 108.800 -0.084 0.000 2.602 167 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.306 167 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.306 167 G C -0.088 174.751 174.900 -0.101 0.000 1.301 167 G CA 0.471 45.517 45.100 -0.090 0.000 0.974 167 G HN 0.923 nan 8.290 nan 0.000 0.547 168 S N -1.111 114.508 115.700 -0.135 0.000 2.549 168 S HA 0.665 5.135 4.470 -0.000 0.000 0.280 168 S C 1.320 175.741 174.600 -0.298 0.000 1.109 168 S CA 0.411 58.515 58.200 -0.160 0.000 0.905 168 S CB 1.295 64.438 63.200 -0.095 0.000 1.081 168 S HN 1.950 nan 8.310 nan 0.000 0.477 169 G N 3.275 111.854 108.800 -0.368 0.000 2.552 169 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 169 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 169 G C 1.292 175.738 174.900 -0.756 0.000 1.240 169 G CA 1.314 45.946 45.100 -0.781 0.000 0.796 169 G HN 0.793 nan 8.290 nan 0.000 0.568 170 I N 1.453 121.880 120.570 -0.237 0.000 2.064 170 I HA -0.248 3.921 4.170 -0.000 0.000 0.234 170 I C 3.123 179.185 176.117 -0.091 0.000 1.019 170 I CA 1.641 62.933 61.300 -0.014 0.000 1.301 170 I CB -1.270 36.738 38.000 0.012 0.000 1.017 170 I HN 0.264 nan 8.210 nan 0.000 0.392 171 G N 1.198 109.935 108.800 -0.105 0.000 2.649 171 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 171 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 171 G C 1.640 176.454 174.900 -0.143 0.000 1.189 171 G CA 1.512 46.552 45.100 -0.099 0.000 0.777 171 G HN 0.450 nan 8.290 nan 0.000 0.602 172 L N -0.532 120.545 121.223 -0.244 0.000 1.915 172 L HA -0.122 4.218 4.340 -0.000 0.000 0.225 172 L C 2.747 179.476 176.870 -0.235 0.000 1.084 172 L CA 2.272 56.945 54.840 -0.279 0.000 0.788 172 L CB -0.649 41.141 42.059 -0.448 0.000 0.892 172 L HN 0.351 nan 8.230 nan 0.000 0.434 173 F N 0.099 119.849 119.950 -0.333 0.000 2.068 173 F HA -0.457 4.070 4.527 -0.000 0.000 0.289 173 F C 2.484 178.057 175.800 -0.378 0.000 1.089 173 F CA 1.941 59.609 58.000 -0.554 0.000 1.263 173 F CB -0.624 38.173 39.000 -0.339 0.000 0.955 173 F HN 0.252 nan 8.300 nan 0.000 0.501 174 I N 0.009 120.583 120.570 0.007 0.000 2.099 174 I HA -0.348 3.822 4.170 -0.000 0.000 0.239 174 I C 2.758 178.855 176.117 -0.034 0.000 1.066 174 I CA 1.363 62.656 61.300 -0.012 0.000 1.324 174 I CB -1.029 36.961 38.000 -0.017 0.000 1.037 174 I HN 0.174 nan 8.210 nan 0.000 0.401 175 A N 0.874 123.661 122.820 -0.055 0.000 1.940 175 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 175 A C 2.566 180.131 177.584 -0.032 0.000 1.176 175 A CA 1.972 53.982 52.037 -0.044 0.000 0.631 175 A CB -0.808 18.156 19.000 -0.061 0.000 0.814 175 A HN 0.483 nan 8.150 nan 0.000 0.446 176 A N -0.364 122.399 122.820 -0.096 0.000 1.851 176 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 176 A C 2.474 180.052 177.584 -0.010 0.000 1.195 176 A CA 2.207 54.177 52.037 -0.112 0.000 0.622 176 A CB -1.561 17.161 19.000 -0.463 0.000 0.831 176 A HN 0.766 nan 8.150 nan 0.000 0.444 177 G N -0.536 108.252 108.800 -0.020 0.000 2.480 177 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 177 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 177 G C 1.549 176.518 174.900 0.115 0.000 1.200 177 G CA 1.644 46.807 45.100 0.105 0.000 0.782 177 G HN 0.377 nan 8.290 nan 0.000 0.554 178 V N 1.211 121.173 119.914 0.080 0.000 2.231 178 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 178 V C 3.125 179.298 176.094 0.131 0.000 1.054 178 V CA 2.448 64.804 62.300 0.093 0.000 1.015 178 V CB -1.064 30.801 31.823 0.071 0.000 0.638 178 V HN 0.391 nan 8.190 nan 0.000 0.444 179 S N -0.848 114.921 115.700 0.116 0.000 2.369 179 S HA -0.390 4.080 4.470 -0.000 0.000 0.225 179 S C 1.997 176.719 174.600 0.202 0.000 1.043 179 S CA 2.315 60.596 58.200 0.135 0.000 1.074 179 S CB -0.489 62.766 63.200 0.091 0.000 0.962 179 S HN 0.709 nan 8.310 nan 0.000 0.433 180 Q N 0.416 120.358 119.800 0.237 0.000 2.014 180 Q HA -0.181 4.159 4.340 -0.000 0.000 0.207 180 Q C 2.074 178.226 176.000 0.253 0.000 0.993 180 Q CA 2.073 58.057 55.803 0.302 0.000 0.850 180 Q CB -0.586 28.380 28.738 0.379 0.000 0.916 180 Q HN 0.506 nan 8.270 nan 0.000 0.417 181 T N 1.437 116.109 114.554 0.196 0.000 2.751 181 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 181 T C 1.730 176.517 174.700 0.145 0.000 1.045 181 T CA 1.616 63.806 62.100 0.151 0.000 1.142 181 T CB -0.200 68.740 68.868 0.119 0.000 0.851 181 T HN 0.297 nan 8.240 nan 0.000 0.474 182 I N -0.483 120.191 120.570 0.175 0.000 2.188 182 I HA -0.010 4.160 4.170 -0.000 0.000 0.237 182 I C 2.039 178.262 176.117 0.177 0.000 1.073 182 I CA 0.961 62.361 61.300 0.167 0.000 1.359 182 I CB -0.389 37.749 38.000 0.229 0.000 1.083 182 I HN 0.125 nan 8.210 nan 0.000 0.412 183 F N 1.189 121.186 119.950 0.079 0.000 2.236 183 F HA -0.222 4.305 4.527 -0.000 0.000 0.302 183 F C 2.125 177.952 175.800 0.045 0.000 1.073 183 F CA 1.418 59.450 58.000 0.054 0.000 1.336 183 F CB -0.165 38.870 39.000 0.059 0.000 1.040 183 F HN -0.202 nan 8.300 nan 0.000 0.507 184 V N -0.486 119.468 119.914 0.065 0.000 2.426 184 V HA -0.045 4.075 4.120 -0.000 0.000 0.242 184 V C 2.693 178.750 176.094 -0.063 0.000 1.036 184 V CA 1.634 63.913 62.300 -0.035 0.000 1.044 184 V CB -1.096 30.785 31.823 0.096 0.000 0.688 184 V HN 0.430 nan 8.190 nan 0.000 0.462 185 G N -0.298 108.516 108.800 0.023 0.000 2.442 185 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 185 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 185 G C 1.651 176.596 174.900 0.075 0.000 1.141 185 G CA 1.258 46.400 45.100 0.070 0.000 0.763 185 G HN 0.600 nan 8.290 nan 0.000 0.554 186 A N -0.255 122.551 122.820 -0.022 0.000 1.911 186 A HA 0.417 4.737 4.320 -0.000 0.000 0.212 186 A C 2.191 179.550 177.584 -0.375 0.000 1.189 186 A CA 0.929 52.904 52.037 -0.104 0.000 0.639 186 A CB -0.033 18.896 19.000 -0.118 0.000 0.839 186 A HN 0.324 nan 8.150 nan 0.000 0.449 187 L N -1.560 119.370 121.223 -0.489 0.000 2.749 187 L HA 0.272 4.612 4.340 -0.000 0.000 0.242 187 L C 1.810 178.460 176.870 -0.368 0.000 1.103 187 L CA 0.044 54.468 54.840 -0.695 0.000 0.906 187 L CB -0.240 41.366 42.059 -0.754 0.000 1.228 187 L HN 0.385 nan 8.230 nan 0.000 0.517 188 G N 1.356 109.991 108.800 -0.276 0.000 2.335 188 G HA2 0.016 3.976 3.960 -0.000 0.000 0.285 188 G HA3 0.016 3.976 3.960 -0.000 0.000 0.285 188 G C -1.747 173.214 174.900 0.100 0.000 1.448 188 G CA -0.210 44.848 45.100 -0.070 0.000 1.070 188 G HN -0.030 nan 8.290 nan 0.000 0.564 189 P HA -0.034 nan 4.420 nan 0.000 0.202 189 P C 1.166 178.531 177.300 0.108 0.000 1.171 189 P CA 1.165 64.322 63.100 0.095 0.000 0.925 189 P CB 0.019 31.749 31.700 0.050 0.000 0.760 190 E N 0.269 120.492 120.200 0.037 0.000 2.357 190 E HA 0.133 4.483 4.350 -0.000 0.000 0.194 190 E C 0.849 177.417 176.600 -0.054 0.000 1.177 190 E CA -0.384 56.016 56.400 -0.001 0.000 0.998 190 E CB -0.844 28.830 29.700 -0.043 0.000 1.106 190 E HN 0.218 nan 8.360 nan 0.000 0.470 191 G N 0.108 108.920 108.800 0.021 0.000 2.464 191 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.231 191 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.231 191 G C 0.085 174.933 174.900 -0.087 0.000 1.267 191 G CA -0.168 44.873 45.100 -0.099 0.000 0.863 191 G HN 0.213 nan 8.290 nan 0.000 0.559 192 Y N 1.444 121.708 120.300 -0.060 0.000 2.220 192 Y HA -0.049 4.501 4.550 -0.000 0.000 0.291 192 Y C 2.628 178.534 175.900 0.009 0.000 1.129 192 Y CA 1.054 59.183 58.100 0.049 0.000 1.161 192 Y CB -0.423 38.050 38.460 0.021 0.000 0.997 192 Y HN 0.468 nan 8.280 nan 0.000 0.522 193 L N -0.815 120.363 121.223 -0.075 0.000 2.089 193 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 193 L C 1.770 178.696 176.870 0.093 0.000 1.079 193 L CA 1.843 56.590 54.840 -0.155 0.000 0.758 193 L CB -0.738 40.964 42.059 -0.595 0.000 0.891 193 L HN 0.330 nan 8.230 nan 0.000 0.433 194 W N -0.266 121.102 121.300 0.113 0.000 2.418 194 W HA -0.129 4.531 4.660 -0.000 0.000 0.319 194 W C 2.547 179.063 176.519 -0.005 0.000 1.183 194 W CA 0.355 57.724 57.345 0.039 0.000 1.327 194 W CB -0.409 29.044 29.460 -0.011 0.000 1.163 194 W HN -0.116 nan 8.180 nan 0.000 0.479 195 K N -0.151 120.374 120.400 0.209 0.000 2.207 195 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 195 K C 1.749 178.214 176.600 -0.224 0.000 1.046 195 K CA 2.054 58.265 56.287 -0.126 0.000 0.929 195 K CB -0.549 31.900 32.500 -0.085 0.000 0.720 195 K HN 0.146 nan 8.250 nan 0.000 0.463 196 F N 0.725 120.686 119.950 0.019 0.000 2.147 196 F HA -0.107 4.420 4.527 -0.000 0.000 0.291 196 F C 1.815 177.643 175.800 0.047 0.000 1.093 196 F CA 0.704 58.747 58.000 0.072 0.000 1.263 196 F CB -0.328 38.758 39.000 0.144 0.000 1.036 196 F HN -0.165 nan 8.300 nan 0.000 0.481 197 L N 1.604 122.866 121.223 0.065 0.000 2.013 197 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 197 L C 2.427 179.219 176.870 -0.129 0.000 1.073 197 L CA 1.998 56.830 54.840 -0.012 0.000 0.753 197 L CB -1.783 40.456 42.059 0.300 0.000 0.890 197 L HN 0.421 nan 8.230 nan 0.000 0.432 198 N N -1.042 117.616 118.700 -0.071 0.000 2.084 198 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 198 N C 1.972 177.368 175.510 -0.189 0.000 1.030 198 N CA 1.653 54.634 53.050 -0.115 0.000 0.849 198 N CB 0.009 38.437 38.487 -0.098 0.000 1.012 198 N HN 0.295 nan 8.380 nan 0.000 0.423 199 S N 0.247 115.783 115.700 -0.272 0.000 2.419 199 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 199 S C 2.052 176.492 174.600 -0.266 0.000 1.019 199 S CA 0.480 58.520 58.200 -0.267 0.000 0.982 199 S CB -0.188 62.843 63.200 -0.282 0.000 0.789 199 S HN 0.374 nan 8.310 nan 0.000 0.490 200 L N 0.396 121.394 121.223 -0.376 0.000 2.044 200 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 200 L C 2.244 179.014 176.870 -0.167 0.000 1.075 200 L CA 1.176 55.829 54.840 -0.310 0.000 0.747 200 L CB -0.345 41.485 42.059 -0.382 0.000 0.903 200 L HN 0.373 nan 8.230 nan 0.000 0.435 201 I N -0.600 119.883 120.570 -0.145 0.000 2.127 201 I HA -0.351 3.819 4.170 -0.000 0.000 0.241 201 I C 2.483 178.551 176.117 -0.081 0.000 1.075 201 I CA 1.153 62.397 61.300 -0.093 0.000 1.334 201 I CB -0.233 37.718 38.000 -0.082 0.000 1.040 201 I HN 0.315 nan 8.210 nan 0.000 0.405 202 Q N 0.839 120.584 119.800 -0.092 0.000 2.248 202 Q HA -0.160 4.180 4.340 -0.000 0.000 0.208 202 Q C 1.421 177.387 176.000 -0.057 0.000 0.984 202 Q CA 1.633 57.393 55.803 -0.072 0.000 0.875 202 Q CB -0.292 28.399 28.738 -0.079 0.000 0.910 202 Q HN 0.647 nan 8.270 nan 0.000 0.433 203 G N -1.268 107.492 108.800 -0.067 0.000 2.131 203 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.223 203 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.223 203 G C 0.077 174.956 174.900 -0.035 0.000 0.990 203 G CA 0.266 45.338 45.100 -0.047 0.000 0.671 203 G HN 0.797 nan 8.290 nan 0.000 0.521 204 V N -2.861 117.027 119.914 -0.043 0.000 2.666 204 V HA 0.571 4.691 4.120 -0.000 0.000 0.306 204 V C -1.777 174.312 176.094 -0.008 0.000 1.156 204 V CA -1.970 60.321 62.300 -0.014 0.000 1.274 204 V CB 0.757 32.579 31.823 -0.001 0.000 1.536 204 V HN 0.025 nan 8.190 nan 0.000 0.640 205 P HA -0.144 nan 4.420 nan 0.000 0.240 205 P C -0.145 177.212 177.300 0.095 0.000 1.079 205 P CA 1.141 64.228 63.100 -0.021 0.000 0.839 205 P CB -0.163 31.551 31.700 0.022 0.000 0.750 206 N N 3.693 122.490 118.700 0.161 0.000 2.462 206 N HA 0.118 4.857 4.740 -0.000 0.000 0.242 206 N C 0.881 176.640 175.510 0.414 0.000 1.010 206 N CA -0.244 52.992 53.050 0.309 0.000 0.939 206 N CB 0.329 39.118 38.487 0.503 0.000 1.127 206 N HN 0.306 nan 8.380 nan 0.000 0.509 207 I N 2.582 123.310 120.570 0.263 0.000 3.083 207 I HA -0.101 4.069 4.170 -0.000 0.000 0.273 207 I C 1.266 177.443 176.117 0.100 0.000 1.297 207 I CA 0.922 62.335 61.300 0.188 0.000 1.452 207 I CB 0.300 38.359 38.000 0.098 0.000 1.078 207 I HN 0.576 nan 8.210 nan 0.000 0.484 208 E N -0.718 119.542 120.200 0.099 0.000 2.478 208 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 208 E C 1.192 177.719 176.600 -0.122 0.000 1.045 208 E CA 0.409 56.776 56.400 -0.055 0.000 0.868 208 E CB 0.254 29.882 29.700 -0.119 0.000 0.885 208 E HN 0.571 nan 8.360 nan 0.000 0.505 209 Y N -0.448 119.946 120.300 0.157 0.000 2.476 209 Y HA 0.091 4.641 4.550 -0.000 0.000 0.283 209 Y C 1.960 177.895 175.900 0.058 0.000 1.109 209 Y CA 0.413 58.657 58.100 0.240 0.000 1.246 209 Y CB 0.420 39.114 38.460 0.389 0.000 1.068 209 Y HN 0.077 nan 8.280 nan 0.000 0.552 210 I N -1.038 119.555 120.570 0.038 0.000 3.265 210 I HA 0.050 4.220 4.170 -0.000 0.000 0.282 210 I C 2.170 178.105 176.117 -0.302 0.000 1.207 210 I CA 0.806 61.902 61.300 -0.340 0.000 1.449 210 I CB -0.181 37.217 38.000 -1.003 0.000 1.121 210 I HN 0.118 nan 8.210 nan 0.000 0.442 211 A N 3.487 126.172 122.820 -0.226 0.000 1.862 211 A HA -0.206 4.113 4.320 -0.000 0.000 0.217 211 A C 0.115 177.540 177.584 -0.266 0.000 1.251 211 A CA 2.589 54.498 52.037 -0.213 0.000 0.673 211 A CB -2.538 16.363 19.000 -0.165 0.000 0.843 211 A HN 0.428 nan 8.150 nan 0.000 0.458 212 P HA -0.211 nan 4.420 nan 0.000 0.218 212 P C 1.582 178.676 177.300 -0.343 0.000 1.150 212 P CA 1.712 64.587 63.100 -0.375 0.000 0.841 212 P CB -0.251 31.103 31.700 -0.577 0.000 0.784 213 I N -0.819 119.547 120.570 -0.340 0.000 2.252 213 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 213 I C 2.604 178.571 176.117 -0.249 0.000 1.102 213 I CA 1.118 62.258 61.300 -0.267 0.000 1.385 213 I CB -0.333 37.529 38.000 -0.231 0.000 1.064 213 I HN -0.148 nan 8.210 nan 0.000 0.414 214 I N 0.281 120.709 120.570 -0.238 0.000 2.133 214 I HA -0.195 3.974 4.170 -0.000 0.000 0.238 214 I C 2.749 178.738 176.117 -0.214 0.000 1.074 214 I CA 1.499 62.679 61.300 -0.199 0.000 1.342 214 I CB -1.401 36.496 38.000 -0.173 0.000 1.053 214 I HN 0.231 nan 8.210 nan 0.000 0.404 215 G N 0.996 109.665 108.800 -0.218 0.000 2.606 215 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.221 215 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.221 215 G C 1.629 176.347 174.900 -0.302 0.000 1.152 215 G CA 2.030 46.997 45.100 -0.221 0.000 0.765 215 G HN 0.372 nan 8.290 nan 0.000 0.595 216 T N 1.091 115.406 114.554 -0.397 0.000 2.777 216 T HA 0.013 4.362 4.350 -0.000 0.000 0.266 216 T C 2.402 176.643 174.700 -0.766 0.000 1.040 216 T CA 1.036 62.718 62.100 -0.696 0.000 1.141 216 T CB -0.117 68.316 68.868 -0.726 0.000 0.868 216 T HN 0.324 nan 8.240 nan 0.000 0.444 217 I N 0.839 121.174 120.570 -0.392 0.000 2.113 217 I HA -0.154 4.016 4.170 -0.000 0.000 0.238 217 I C 2.307 178.360 176.117 -0.107 0.000 1.070 217 I CA 1.391 62.589 61.300 -0.171 0.000 1.332 217 I CB -0.560 37.390 38.000 -0.083 0.000 1.044 217 I HN 0.184 nan 8.210 nan 0.000 0.402 218 I N 0.254 120.747 120.570 -0.128 0.000 2.087 218 I HA -0.344 3.825 4.170 -0.000 0.000 0.240 218 I C 2.642 178.718 176.117 -0.069 0.000 1.054 218 I CA 1.574 62.825 61.300 -0.082 0.000 1.311 218 I CB -0.624 37.318 38.000 -0.096 0.000 1.024 218 I HN 0.052 nan 8.210 nan 0.000 0.402 219 V N 0.828 120.658 119.914 -0.139 0.000 2.214 219 V HA -0.326 3.793 4.120 -0.000 0.000 0.247 219 V C 2.342 178.481 176.094 0.075 0.000 1.051 219 V CA 2.234 64.479 62.300 -0.091 0.000 1.003 219 V CB -0.649 31.068 31.823 -0.176 0.000 0.635 219 V HN 0.198 nan 8.190 nan 0.000 0.447 220 F N -0.168 119.746 119.950 -0.059 0.000 2.048 220 F HA -0.289 4.238 4.527 -0.000 0.000 0.296 220 F C 2.279 178.062 175.800 -0.028 0.000 1.109 220 F CA 1.671 59.644 58.000 -0.045 0.000 1.214 220 F CB -1.616 37.359 39.000 -0.042 0.000 0.963 220 F HN 0.095 nan 8.300 nan 0.000 0.491 221 L N -0.938 120.402 121.223 0.195 0.000 1.990 221 L HA -0.304 4.036 4.340 -0.000 0.000 0.213 221 L C 2.621 179.559 176.870 0.114 0.000 1.072 221 L CA 1.890 56.799 54.840 0.115 0.000 0.755 221 L CB -0.693 41.413 42.059 0.079 0.000 0.889 221 L HN 0.246 nan 8.230 nan 0.000 0.432 222 M N -0.065 119.583 119.600 0.079 0.000 2.126 222 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 222 M C 2.335 178.687 176.300 0.088 0.000 1.073 222 M CA 2.172 57.505 55.300 0.055 0.000 1.103 222 M CB -0.215 32.373 32.600 -0.019 0.000 1.284 222 M HN 0.021 nan 8.290 nan 0.000 0.420 223 V N 0.368 120.318 119.914 0.059 0.000 2.363 223 V HA -0.317 3.803 4.120 -0.000 0.000 0.254 223 V C 2.412 178.554 176.094 0.078 0.000 1.074 223 V CA 2.026 64.360 62.300 0.056 0.000 1.069 223 V CB -1.191 30.668 31.823 0.060 0.000 0.659 223 V HN 0.524 nan 8.190 nan 0.000 0.455 224 V N -1.386 118.572 119.914 0.074 0.000 2.270 224 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 224 V C 2.105 178.247 176.094 0.080 0.000 1.043 224 V CA 2.409 64.723 62.300 0.025 0.000 1.014 224 V CB -0.689 31.122 31.823 -0.020 0.000 0.645 224 V HN 0.625 nan 8.190 nan 0.000 0.447 225 Y N 1.129 121.427 120.300 -0.003 0.000 2.030 225 Y HA -0.418 4.132 4.550 -0.000 0.000 0.272 225 Y C 2.451 178.376 175.900 0.041 0.000 1.185 225 Y CA 2.369 60.475 58.100 0.010 0.000 1.120 225 Y CB -0.449 38.025 38.460 0.023 0.000 0.955 225 Y HN 0.217 nan 8.280 nan 0.000 0.495 226 A N -0.018 123.066 122.820 0.441 0.000 1.917 226 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 226 A C 2.079 179.835 177.584 0.287 0.000 1.182 226 A CA 1.968 54.243 52.037 0.397 0.000 0.633 226 A CB -0.789 18.432 19.000 0.369 0.000 0.819 226 A HN 0.590 nan 8.150 nan 0.000 0.448 227 E N -0.481 119.822 120.200 0.172 0.000 2.472 227 E HA -0.097 4.253 4.350 -0.000 0.000 0.200 227 E C 1.709 178.333 176.600 0.040 0.000 1.046 227 E CA 0.766 57.226 56.400 0.099 0.000 0.871 227 E CB -0.393 29.313 29.700 0.010 0.000 0.806 227 E HN 0.693 nan 8.360 nan 0.000 0.533 228 C N -0.135 119.180 119.300 0.025 0.000 2.564 228 C HA 0.171 4.631 4.460 -0.000 0.000 0.281 228 C C 1.401 176.406 174.990 0.023 0.000 1.314 228 C CA -0.424 58.565 59.018 -0.047 0.000 1.706 228 C CB -0.700 26.940 27.740 -0.166 0.000 2.109 228 C HN 0.354 nan 8.230 nan 0.000 0.502 229 M N 1.684 121.325 119.600 0.069 0.000 2.148 229 M HA -0.141 4.339 4.480 -0.000 0.000 0.443 229 M C 0.060 176.416 176.300 0.094 0.000 1.197 229 M CA 1.625 56.970 55.300 0.075 0.000 0.698 229 M CB -0.241 32.408 32.600 0.083 0.000 1.885 229 M HN 0.547 nan 8.290 nan 0.000 0.540 230 R N 1.051 121.589 120.500 0.062 0.000 2.752 230 R HA 0.584 4.924 4.340 -0.000 0.000 0.277 230 R C -0.956 175.380 176.300 0.059 0.000 1.024 230 R CA -1.075 55.080 56.100 0.093 0.000 0.866 230 R CB 1.158 31.514 30.300 0.094 0.000 1.278 230 R HN 0.434 nan 8.270 nan 0.000 0.473 231 V N 0.463 120.424 119.914 0.079 0.000 5.049 231 V HA 0.398 4.517 4.120 -0.000 0.000 0.272 231 V C -0.285 175.839 176.094 0.050 0.000 1.299 231 V CA -0.141 62.194 62.300 0.058 0.000 0.684 231 V CB 0.442 32.313 31.823 0.080 0.000 1.251 231 V HN 0.717 nan 8.190 nan 0.000 0.380 232 E N -0.792 119.443 120.200 0.057 0.000 2.431 232 E HA 0.303 4.653 4.350 -0.000 0.000 0.287 232 E C -1.060 175.579 176.600 0.064 0.000 1.032 232 E CA -0.659 55.771 56.400 0.049 0.000 0.839 232 E CB 2.205 31.922 29.700 0.029 0.000 1.218 232 E HN 0.577 nan 8.360 nan 0.000 0.424 233 I N 2.390 122.988 120.570 0.046 0.000 3.224 233 I HA -0.197 3.973 4.170 -0.000 0.000 0.306 233 I C -1.992 174.163 176.117 0.063 0.000 1.231 233 I CA 0.833 62.153 61.300 0.032 0.000 1.421 233 I CB 0.352 38.335 38.000 -0.028 0.000 1.315 233 I HN 0.660 nan 8.210 nan 0.000 0.581 234 P HA -0.136 nan 4.420 nan 0.000 0.535 234 P C -0.295 176.910 177.300 -0.159 0.000 0.586 234 P CA 0.536 63.605 63.100 -0.052 0.000 2.509 234 P CB -0.286 31.430 31.700 0.027 0.000 1.141 235 L N -5.687 115.477 121.223 -0.099 0.000 1.914 235 L HA 0.514 4.854 4.340 -0.000 0.000 0.219 235 L C 1.270 178.046 176.870 -0.157 0.000 1.231 235 L CA 1.329 56.079 54.840 -0.149 0.000 1.377 235 L CB -1.042 40.938 42.059 -0.132 0.000 2.633 235 L HN 0.085 nan 8.230 nan 0.000 0.500 236 A N -0.425 122.321 122.820 -0.123 0.000 3.567 236 A HA -0.090 4.230 4.320 -0.000 0.000 0.196 236 A C 0.126 177.703 177.584 -0.013 0.000 1.297 236 A CA 0.378 52.375 52.037 -0.066 0.000 1.171 236 A CB -1.609 17.393 19.000 0.004 0.000 0.811 236 A HN 1.116 nan 8.150 nan 0.000 0.391 237 H N 0.725 119.782 119.070 -0.023 0.000 3.563 237 H HA 0.311 4.867 4.556 -0.000 0.000 0.200 237 H C 1.340 176.659 175.328 -0.014 0.000 0.570 237 H CA 1.303 57.339 56.048 -0.020 0.000 1.322 237 H CB -1.420 28.330 29.762 -0.019 0.000 1.445 237 H HN 2.461 nan 8.280 nan 0.000 0.676 238 G N 2.061 110.951 108.800 0.149 0.000 2.137 238 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.237 238 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.237 238 G C 0.471 175.465 174.900 0.156 0.000 1.002 238 G CA 0.141 45.369 45.100 0.214 0.000 0.702 238 G HN 0.712 nan 8.290 nan 0.000 0.515 239 R N -0.839 119.712 120.500 0.085 0.000 2.599 239 R HA 0.575 4.915 4.340 -0.000 0.000 0.451 239 R C 0.968 177.308 176.300 0.067 0.000 0.988 239 R CA 0.077 56.229 56.100 0.088 0.000 1.085 239 R CB 0.215 30.539 30.300 0.040 0.000 1.452 239 R HN 0.839 nan 8.270 nan 0.000 0.596 240 I N -2.227 118.399 120.570 0.092 0.000 4.999 240 I HA -0.250 3.920 4.170 -0.000 0.000 0.222 240 I C -0.394 175.978 176.117 0.425 0.000 0.551 240 I CA 2.180 63.592 61.300 0.187 0.000 1.589 240 I CB -0.750 37.218 38.000 -0.052 0.000 3.277 240 I HN 0.355 nan 8.210 nan 0.000 1.032 241 K N -0.868 119.653 120.400 0.201 0.000 7.384 241 K HA 0.174 4.494 4.320 -0.000 0.000 0.573 241 K C 0.086 176.585 176.600 -0.168 0.000 1.348 241 K CA 0.519 56.804 56.287 -0.003 0.000 1.003 241 K CB -1.223 31.281 32.500 0.007 0.000 1.422 241 K HN 0.651 nan 8.250 nan 0.000 0.774 242 G N 0.254 108.861 108.800 -0.322 0.000 3.247 242 G HA2 0.679 4.639 3.960 -0.000 0.000 0.163 242 G HA3 0.679 4.639 3.960 -0.000 0.000 0.163 242 G C 0.451 175.232 174.900 -0.198 0.000 1.206 242 G CA 0.308 45.190 45.100 -0.364 0.000 0.918 242 G HN 0.751 nan 8.290 nan 0.000 0.625 243 A N -1.167 121.540 122.820 -0.189 0.000 3.289 243 A HA 0.472 4.792 4.320 -0.000 0.000 0.157 243 A C 1.889 179.379 177.584 -0.156 0.000 1.293 243 A CA 1.581 53.531 52.037 -0.146 0.000 0.896 243 A CB -1.168 17.744 19.000 -0.147 0.000 0.998 243 A HN 1.513 nan 8.150 nan 0.000 0.519 244 V N -1.101 118.711 119.914 -0.171 0.000 0.695 244 V HA -0.150 3.970 4.120 -0.000 0.000 0.092 244 V C 1.114 177.123 176.094 -0.143 0.000 0.781 244 V CA 2.493 64.695 62.300 -0.164 0.000 3.097 244 V CB -1.685 30.027 31.823 -0.185 0.000 0.193 244 V HN 2.440 nan 8.190 nan 0.000 0.089 245 G N -0.109 108.579 108.800 -0.187 0.000 2.681 245 G HA2 0.378 4.338 3.960 -0.000 0.000 0.210 245 G HA3 0.378 4.338 3.960 -0.000 0.000 0.210 245 G C -0.450 174.276 174.900 -0.291 0.000 3.399 245 G CA 0.241 45.233 45.100 -0.180 0.000 0.649 245 G HN 1.074 nan 8.290 nan 0.000 0.428 246 K N 1.144 121.319 120.400 -0.376 0.000 2.491 246 K HA 0.139 4.459 4.320 -0.000 0.000 0.249 246 K C 0.354 176.696 176.600 -0.430 0.000 0.830 246 K CA 1.097 56.992 56.287 -0.654 0.000 0.804 246 K CB -0.121 32.243 32.500 -0.225 0.000 0.637 246 K HN 1.934 nan 8.250 nan 0.000 0.914 247 Y N -4.921 115.388 120.300 0.015 0.000 1.976 247 Y HA 0.031 4.581 4.550 -0.000 0.000 0.294 247 Y C -3.252 172.664 175.900 0.026 0.000 1.469 247 Y CA -1.028 57.082 58.100 0.016 0.000 1.837 247 Y CB -1.150 37.322 38.460 0.020 0.000 1.295 247 Y HN 0.594 nan 8.280 nan 0.000 0.359 248 P HA 0.732 nan 4.420 nan 0.000 0.275 248 P C -0.431 176.955 177.300 0.143 0.000 1.208 248 P CA 0.815 64.009 63.100 0.157 0.000 0.722 248 P CB 2.695 34.479 31.700 0.139 0.000 1.891 249 I N -4.583 116.070 120.570 0.138 0.000 5.486 249 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 249 I C -0.961 175.286 176.117 0.216 0.000 1.808 249 I CA -0.850 60.544 61.300 0.157 0.000 1.803 249 I CB -1.355 36.729 38.000 0.141 0.000 3.328 249 I HN -0.029 nan 8.210 nan 0.000 0.272 250 K N 3.454 123.975 120.400 0.202 0.000 2.570 250 K HA 0.258 4.578 4.320 -0.000 0.000 0.274 250 K C -0.577 176.234 176.600 0.352 0.000 0.967 250 K CA 1.588 57.944 56.287 0.115 0.000 0.963 250 K CB 0.290 32.723 32.500 -0.110 0.000 0.883 250 K HN 0.509 nan 8.250 nan 0.000 0.519 251 F N -2.228 117.767 119.950 0.075 0.000 2.008 251 F HA 0.001 4.527 4.527 -0.000 0.000 0.221 251 F C 1.274 177.153 175.800 0.131 0.000 1.298 251 F CA -0.462 57.592 58.000 0.090 0.000 1.160 251 F CB -0.301 38.724 39.000 0.042 0.000 2.088 251 F HN 0.277 nan 8.300 nan 0.000 0.106 252 V N -1.613 118.450 119.914 0.247 0.000 2.627 252 V HA 0.014 4.133 4.120 -0.000 0.000 0.239 252 V C 1.609 177.794 176.094 0.151 0.000 1.077 252 V CA 1.125 63.570 62.300 0.241 0.000 1.103 252 V CB -1.147 30.851 31.823 0.291 0.000 0.802 252 V HN 0.640 nan 8.190 nan 0.000 0.482 253 Y N 2.780 123.110 120.300 0.050 0.000 2.736 253 Y HA -0.030 4.520 4.550 -0.000 0.000 0.298 253 Y C 2.138 178.019 175.900 -0.031 0.000 1.156 253 Y CA 0.710 58.818 58.100 0.014 0.000 1.384 253 Y CB -0.643 37.850 38.460 0.055 0.000 0.976 253 Y HN 0.232 nan 8.280 nan 0.000 0.556 254 V N -0.845 118.953 119.914 -0.193 0.000 2.244 254 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 254 V C 1.576 177.488 176.094 -0.305 0.000 1.042 254 V CA 2.116 64.239 62.300 -0.295 0.000 1.006 254 V CB -1.086 30.577 31.823 -0.267 0.000 0.641 254 V HN 0.280 nan 8.190 nan 0.000 0.446 255 S N 1.813 117.386 115.700 -0.213 0.000 3.122 255 S HA 0.156 4.626 4.470 -0.000 0.000 0.249 255 S C 1.070 175.551 174.600 -0.199 0.000 1.334 255 S CA 0.072 58.150 58.200 -0.204 0.000 1.251 255 S CB -1.213 61.923 63.200 -0.105 0.000 1.034 255 S HN 0.711 nan 8.310 nan 0.000 0.478 256 N N 2.044 120.600 118.700 -0.241 0.000 2.202 256 N HA 0.035 4.775 4.740 -0.000 0.000 0.191 256 N C 1.643 177.011 175.510 -0.237 0.000 1.054 256 N CA 0.852 53.826 53.050 -0.128 0.000 0.877 256 N CB -0.250 38.281 38.487 0.073 0.000 1.057 256 N HN 0.329 nan 8.380 nan 0.000 0.456 257 I N 2.299 122.659 120.570 -0.350 0.000 2.229 257 I HA -0.205 3.965 4.170 -0.000 0.000 0.250 257 I C -1.088 174.764 176.117 -0.441 0.000 1.096 257 I CA 1.410 62.457 61.300 -0.423 0.000 1.358 257 I CB -0.960 36.616 38.000 -0.706 0.000 1.047 257 I HN 0.320 nan 8.210 nan 0.000 0.422 258 P HA -0.185 nan 4.420 nan 0.000 0.212 258 P C 2.153 179.256 177.300 -0.329 0.000 1.178 258 P CA 1.387 64.299 63.100 -0.315 0.000 0.915 258 P CB -0.055 31.502 31.700 -0.239 0.000 0.788 259 V N -0.456 119.297 119.914 -0.267 0.000 2.490 259 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 259 V C 2.151 178.061 176.094 -0.306 0.000 1.061 259 V CA 1.484 63.622 62.300 -0.270 0.000 1.064 259 V CB -1.095 30.617 31.823 -0.185 0.000 0.670 259 V HN 0.034 nan 8.190 nan 0.000 0.461 260 I N -0.734 119.677 120.570 -0.264 0.000 2.361 260 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 260 I C 2.114 178.066 176.117 -0.275 0.000 1.133 260 I CA 1.538 62.707 61.300 -0.218 0.000 1.413 260 I CB -0.204 37.697 38.000 -0.165 0.000 1.073 260 I HN 0.314 nan 8.210 nan 0.000 0.424 261 L N 0.024 120.991 121.223 -0.425 0.000 2.162 261 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 261 L C 2.818 179.110 176.870 -0.964 0.000 1.086 261 L CA 0.825 55.318 54.840 -0.580 0.000 0.778 261 L CB -0.597 41.134 42.059 -0.548 0.000 0.928 261 L HN 0.148 nan 8.230 nan 0.000 0.446 262 A N 0.528 122.640 122.820 -1.180 0.000 1.845 262 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 262 A C 2.541 179.939 177.584 -0.311 0.000 1.195 262 A CA 1.945 53.531 52.037 -0.752 0.000 0.616 262 A CB -0.932 17.809 19.000 -0.432 0.000 0.832 262 A HN 0.358 nan 8.150 nan 0.000 0.443 263 A N -0.293 122.315 122.820 -0.354 0.000 1.908 263 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 263 A C 2.479 180.038 177.584 -0.041 0.000 1.181 263 A CA 2.335 54.214 52.037 -0.263 0.000 0.627 263 A CB -1.022 17.868 19.000 -0.184 0.000 0.818 263 A HN 1.173 nan 8.150 nan 0.000 0.445 264 A N -0.660 122.119 122.820 -0.068 0.000 2.015 264 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 264 A C 2.107 179.790 177.584 0.164 0.000 1.163 264 A CA 1.341 53.392 52.037 0.023 0.000 0.646 264 A CB -0.438 18.535 19.000 -0.046 0.000 0.806 264 A HN 0.480 nan 8.150 nan 0.000 0.448 265 L N -1.117 120.223 121.223 0.195 0.000 1.976 265 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 265 L C 2.333 179.424 176.870 0.368 0.000 1.071 265 L CA 2.230 57.256 54.840 0.309 0.000 0.746 265 L CB -1.126 41.203 42.059 0.450 0.000 0.890 265 L HN 0.418 nan 8.230 nan 0.000 0.432 266 F N 0.639 120.655 119.950 0.110 0.000 2.184 266 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 266 F C 2.690 178.586 175.800 0.160 0.000 1.076 266 F CA 1.152 59.224 58.000 0.121 0.000 1.295 266 F CB -1.386 37.693 39.000 0.131 0.000 1.026 266 F HN 0.199 nan 8.300 nan 0.000 0.494 267 A N 0.043 123.123 122.820 0.434 0.000 1.902 267 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 267 A C 2.060 180.014 177.584 0.618 0.000 1.181 267 A CA 1.856 54.214 52.037 0.535 0.000 0.623 267 A CB -0.703 18.567 19.000 0.450 0.000 0.818 267 A HN 0.354 nan 8.150 nan 0.000 0.443 268 N N -0.502 118.494 118.700 0.492 0.000 2.461 268 N HA 0.102 4.842 4.740 -0.000 0.000 0.188 268 N C 1.329 177.042 175.510 0.340 0.000 1.134 268 N CA 0.564 53.900 53.050 0.477 0.000 0.878 268 N CB -0.028 38.647 38.487 0.313 0.000 0.972 268 N HN 0.589 nan 8.380 nan 0.000 0.456 269 I N 0.488 121.199 120.570 0.235 0.000 2.499 269 I HA -0.114 4.056 4.170 -0.000 0.000 0.243 269 I C 1.985 178.200 176.117 0.163 0.000 1.085 269 I CA 0.422 61.815 61.300 0.155 0.000 1.422 269 I CB -0.083 37.927 38.000 0.017 0.000 1.165 269 I HN -0.095 nan 8.210 nan 0.000 0.440 270 Q N 0.558 120.387 119.800 0.047 0.000 2.181 270 Q HA -0.206 4.134 4.340 -0.000 0.000 0.205 270 Q C 2.134 178.101 176.000 -0.055 0.000 0.980 270 Q CA 1.529 57.265 55.803 -0.112 0.000 0.862 270 Q CB -0.515 27.794 28.738 -0.715 0.000 0.905 270 Q HN 0.385 nan 8.270 nan 0.000 0.429 271 L N -1.194 120.099 121.223 0.117 0.000 2.049 271 L HA -0.037 4.303 4.340 -0.000 0.000 0.203 271 L C 1.781 178.685 176.870 0.057 0.000 1.074 271 L CA 1.520 56.415 54.840 0.092 0.000 0.749 271 L CB -0.759 41.438 42.059 0.231 0.000 0.907 271 L HN 0.130 nan 8.230 nan 0.000 0.439 272 W N 0.165 121.473 121.300 0.014 0.000 2.421 272 W HA -0.009 4.651 4.660 -0.000 0.000 0.270 272 W C 2.362 178.871 176.519 -0.017 0.000 1.233 272 W CA 1.588 58.942 57.345 0.015 0.000 1.226 272 W CB -0.762 28.733 29.460 0.059 0.000 1.121 272 W HN 0.313 nan 8.180 nan 0.000 0.579 273 G N -0.620 108.285 108.800 0.175 0.000 2.408 273 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.213 273 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.213 273 G C 1.424 176.155 174.900 -0.282 0.000 1.177 273 G CA 0.672 45.866 45.100 0.157 0.000 0.802 273 G HN 0.127 nan 8.290 nan 0.000 0.533 274 L N 1.421 122.056 121.223 -0.981 0.000 2.017 274 L HA 0.020 4.359 4.340 -0.000 0.000 0.208 274 L C 2.984 179.593 176.870 -0.435 0.000 1.073 274 L CA 2.431 56.465 54.840 -1.345 0.000 0.745 274 L CB -1.216 40.131 42.059 -1.187 0.000 0.894 274 L HN 0.289 nan 8.230 nan 0.000 0.432 275 A N 0.412 123.040 122.820 -0.321 0.000 1.849 275 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 275 A C 1.823 179.311 177.584 -0.159 0.000 1.202 275 A CA 1.487 53.387 52.037 -0.228 0.000 0.629 275 A CB -1.031 17.785 19.000 -0.307 0.000 0.834 275 A HN 0.473 nan 8.150 nan 0.000 0.447 276 L N -0.582 120.566 121.223 -0.125 0.000 2.803 276 L HA 0.116 4.456 4.340 -0.000 0.000 0.241 276 L C 0.804 177.703 176.870 0.047 0.000 1.404 276 L CA 0.113 54.927 54.840 -0.043 0.000 1.211 276 L CB -0.528 41.540 42.059 0.015 0.000 1.585 276 L HN 0.732 nan 8.230 nan 0.000 0.430 277 Y N 0.922 121.144 120.300 -0.131 0.000 3.280 277 Y HA 0.102 4.651 4.550 -0.000 0.000 0.195 277 Y C 1.800 177.661 175.900 -0.066 0.000 0.916 277 Y CA -0.142 57.908 58.100 -0.085 0.000 1.655 277 Y CB 0.216 38.575 38.460 -0.169 0.000 1.472 277 Y HN 0.214 nan 8.280 nan 0.000 0.384 278 R N 1.939 122.324 120.500 -0.191 0.000 2.535 278 R HA 0.194 4.534 4.340 -0.000 0.000 0.233 278 R C 0.132 176.340 176.300 -0.154 0.000 1.202 278 R CA 0.747 56.695 56.100 -0.253 0.000 1.205 278 R CB -0.476 29.798 30.300 -0.043 0.000 1.153 278 R HN 0.546 nan 8.270 nan 0.000 0.512 279 M N -0.302 119.211 119.600 -0.145 0.000 4.752 279 M HA 0.233 4.713 4.480 -0.000 0.000 0.582 279 M C -0.760 175.487 176.300 -0.087 0.000 2.135 279 M CA -0.052 55.187 55.300 -0.102 0.000 0.515 279 M CB 1.108 33.653 32.600 -0.091 0.000 1.472 279 M HN 0.420 nan 8.290 nan 0.000 0.624 280 G N 0.958 109.698 108.800 -0.101 0.000 2.534 280 G HA2 0.231 4.191 3.960 -0.000 0.000 0.142 280 G HA3 0.231 4.191 3.960 -0.000 0.000 0.142 280 G C -1.790 173.075 174.900 -0.058 0.000 1.178 280 G CA -0.758 44.303 45.100 -0.063 0.000 1.037 280 G HN 0.131 nan 8.290 nan 0.000 0.474 281 I N 1.797 122.358 120.570 -0.014 0.000 2.498 281 I HA 0.467 4.636 4.170 -0.000 0.000 0.301 281 I C -2.093 174.054 176.117 0.050 0.000 0.984 281 I CA -2.436 58.871 61.300 0.013 0.000 1.204 281 I CB 1.899 39.911 38.000 0.021 0.000 1.362 281 I HN 0.105 nan 8.210 nan 0.000 0.471 282 P HA 0.206 nan 4.420 nan 0.000 0.237 282 P C 0.928 178.225 177.300 -0.006 0.000 1.701 282 P CA 0.371 63.517 63.100 0.076 0.000 0.955 282 P CB -0.195 31.525 31.700 0.034 0.000 1.937 283 I N -0.649 119.945 120.570 0.041 0.000 2.127 283 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 283 I C 1.980 178.102 176.117 0.009 0.000 1.075 283 I CA 1.709 63.028 61.300 0.032 0.000 1.334 283 I CB -0.396 37.643 38.000 0.066 0.000 1.040 283 I HN 0.152 nan 8.210 nan 0.000 0.405 284 L N -0.520 120.729 121.223 0.043 0.000 2.145 284 L HA 0.259 4.599 4.340 -0.000 0.000 0.201 284 L C 1.045 177.874 176.870 -0.068 0.000 1.075 284 L CA 0.579 55.434 54.840 0.025 0.000 0.773 284 L CB -0.551 41.574 42.059 0.110 0.000 0.936 284 L HN 0.371 nan 8.230 nan 0.000 0.451 285 G N -2.126 106.632 108.800 -0.071 0.000 2.489 285 G HA2 0.286 4.246 3.960 -0.000 0.000 0.291 285 G HA3 0.286 4.246 3.960 -0.000 0.000 0.291 285 G C -1.606 173.119 174.900 -0.293 0.000 1.487 285 G CA -0.723 44.199 45.100 -0.298 0.000 0.795 285 G HN 0.006 nan 8.290 nan 0.000 0.513 286 H N 1.552 120.526 119.070 -0.160 0.000 2.820 286 H HA 0.336 4.891 4.556 -0.000 0.000 0.278 286 H C 0.125 175.219 175.328 -0.391 0.000 1.142 286 H CA -0.105 55.865 56.048 -0.129 0.000 1.346 286 H CB 0.659 30.392 29.762 -0.047 0.000 1.438 286 H HN 0.461 nan 8.280 nan 0.000 0.473 287 Y N 1.861 121.740 120.300 -0.701 0.000 2.433 287 Y HA -0.092 4.458 4.550 -0.000 0.000 0.250 287 Y C 0.862 176.583 175.900 -0.298 0.000 1.027 287 Y CA 0.269 58.049 58.100 -0.534 0.000 1.040 287 Y CB -0.028 38.010 38.460 -0.704 0.000 1.033 287 Y HN 0.573 nan 8.280 nan 0.000 0.469 288 E N -1.201 118.959 120.200 -0.068 0.000 7.548 288 E HA -0.086 4.264 4.350 -0.000 0.000 0.443 288 E C 0.455 177.083 176.600 0.046 0.000 0.387 288 E CA 0.398 56.833 56.400 0.059 0.000 0.714 288 E CB -1.301 28.436 29.700 0.061 0.000 0.961 288 E HN 0.881 nan 8.360 nan 0.000 0.264 289 G N 0.914 109.755 108.800 0.068 0.000 2.157 289 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.239 289 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.239 289 G C 0.896 175.844 174.900 0.080 0.000 0.982 289 G CA 0.768 45.904 45.100 0.060 0.000 0.650 289 G HN 1.839 nan 8.290 nan 0.000 0.527 290 G N 0.046 108.903 108.800 0.095 0.000 3.700 290 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.211 290 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.211 290 G C 0.777 175.753 174.900 0.126 0.000 1.777 290 G CA 0.907 46.080 45.100 0.121 0.000 1.460 290 G HN 1.591 nan 8.290 nan 0.000 0.615 291 R N 1.169 121.759 120.500 0.149 0.000 2.611 291 R HA 0.780 5.120 4.340 -0.000 0.000 0.243 291 R C 0.426 176.774 176.300 0.080 0.000 1.260 291 R CA 0.128 56.334 56.100 0.175 0.000 1.095 291 R CB 0.220 30.598 30.300 0.131 0.000 1.259 291 R HN 1.268 nan 8.270 nan 0.000 0.575 292 A N 0.146 122.820 122.820 -0.243 0.000 2.301 292 A HA 0.468 4.788 4.320 -0.000 0.000 0.312 292 A C 0.056 177.516 177.584 -0.207 0.000 1.182 292 A CA -0.900 50.733 52.037 -0.674 0.000 0.826 292 A CB 1.404 19.614 19.000 -1.317 0.000 1.134 292 A HN 0.465 nan 8.150 nan 0.000 0.501 293 V N 1.698 121.489 119.914 -0.205 0.000 3.070 293 V HA 0.308 4.428 4.120 -0.000 0.000 0.345 293 V C -0.435 175.382 176.094 -0.463 0.000 1.403 293 V CA 0.554 62.755 62.300 -0.165 0.000 1.155 293 V CB -1.068 30.661 31.823 -0.156 0.000 1.140 293 V HN 1.003 nan 8.190 nan 0.000 0.505 294 D N -1.151 119.029 120.400 -0.366 0.000 2.951 294 D HA 0.484 5.124 4.640 -0.000 0.000 0.262 294 D C -0.215 175.904 176.300 -0.302 0.000 1.110 294 D CA 0.940 54.699 54.000 -0.402 0.000 0.724 294 D CB 1.361 42.024 40.800 -0.229 0.000 1.516 294 D HN 0.528 nan 8.370 nan 0.000 0.447 295 G N 0.787 109.390 108.800 -0.329 0.000 2.685 295 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.387 295 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.387 295 G C 1.055 175.821 174.900 -0.225 0.000 1.324 295 G CA -0.284 44.650 45.100 -0.277 0.000 0.878 295 G HN 0.707 nan 8.290 nan 0.000 0.527 296 I N 0.915 121.405 120.570 -0.132 0.000 2.185 296 I HA -0.285 3.885 4.170 -0.000 0.000 0.246 296 I C 3.283 179.364 176.117 -0.060 0.000 1.088 296 I CA 2.534 63.805 61.300 -0.049 0.000 1.347 296 I CB -0.749 37.229 38.000 -0.037 0.000 1.041 296 I HN 0.850 nan 8.210 nan 0.000 0.415 297 A N 0.411 123.155 122.820 -0.127 0.000 1.859 297 A HA -0.336 3.984 4.320 -0.000 0.000 0.217 297 A C 2.271 179.750 177.584 -0.174 0.000 1.198 297 A CA 2.163 54.088 52.037 -0.187 0.000 0.629 297 A CB -1.354 17.397 19.000 -0.416 0.000 0.830 297 A HN 0.510 nan 8.150 nan 0.000 0.446 298 Y N -0.849 119.251 120.300 -0.334 0.000 2.053 298 Y HA -0.320 4.230 4.550 -0.000 0.000 0.277 298 Y C 2.293 178.177 175.900 -0.027 0.000 1.159 298 Y CA 2.134 60.063 58.100 -0.286 0.000 1.125 298 Y CB -0.718 37.501 38.460 -0.402 0.000 0.969 298 Y HN 0.459 nan 8.280 nan 0.000 0.492 299 Y N -0.480 119.829 120.300 0.015 0.000 2.569 299 Y HA -0.120 4.430 4.550 -0.000 0.000 0.293 299 Y C 0.757 176.750 175.900 0.154 0.000 1.144 299 Y CA 0.031 58.192 58.100 0.101 0.000 1.321 299 Y CB 0.053 38.593 38.460 0.133 0.000 0.982 299 Y HN 0.101 nan 8.280 nan 0.000 0.558 300 L N 0.775 122.124 121.223 0.211 0.000 3.096 300 L HA 0.221 4.561 4.340 -0.000 0.000 0.272 300 L C -0.253 176.749 176.870 0.220 0.000 1.311 300 L CA -0.224 54.739 54.840 0.205 0.000 0.943 300 L CB 0.046 42.019 42.059 -0.143 0.000 1.348 300 L HN -0.045 nan 8.230 nan 0.000 0.562 301 S N -1.730 114.051 115.700 0.136 0.000 2.659 301 S HA 0.445 4.915 4.470 -0.000 0.000 0.312 301 S C 0.075 174.507 174.600 -0.280 0.000 1.114 301 S CA -0.597 57.568 58.200 -0.058 0.000 1.063 301 S CB 1.461 64.544 63.200 -0.195 0.000 0.996 301 S HN 0.177 nan 8.310 nan 0.000 0.478 302 T N 5.085 119.408 114.554 -0.384 0.000 2.867 302 T HA 0.177 4.527 4.350 -0.000 0.000 0.297 302 T C -1.582 172.785 174.700 -0.555 0.000 0.989 302 T CA -0.566 61.085 62.100 -0.748 0.000 1.159 302 T CB 0.264 68.846 68.868 -0.477 0.000 0.928 302 T HN 0.437 nan 8.240 nan 0.000 0.538 303 P HA -0.044 nan 4.420 nan 0.000 0.222 303 P C 0.478 177.700 177.300 -0.130 0.000 1.147 303 P CA 0.587 63.515 63.100 -0.286 0.000 0.790 303 P CB -0.124 31.351 31.700 -0.375 0.000 0.780 304 Y N -0.338 119.930 120.300 -0.053 0.000 2.130 304 Y HA 0.342 4.892 4.550 -0.000 0.000 0.383 304 Y C 1.730 177.627 175.900 -0.005 0.000 1.258 304 Y CA -0.160 57.930 58.100 -0.017 0.000 1.776 304 Y CB -0.836 37.622 38.460 -0.004 0.000 1.501 304 Y HN 0.087 nan 8.280 nan 0.000 0.719 305 G N -1.359 107.761 108.800 0.534 0.000 3.532 305 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.196 305 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.196 305 G C 0.148 175.109 174.900 0.102 0.000 2.074 305 G CA 0.190 45.487 45.100 0.328 0.000 1.323 305 G HN 0.683 nan 8.290 nan 0.000 0.439 306 L N 0.847 122.097 121.223 0.045 0.000 2.932 306 L HA 0.559 4.899 4.340 -0.000 0.000 0.168 306 L C 1.135 177.973 176.870 -0.054 0.000 1.125 306 L CA 1.267 56.080 54.840 -0.044 0.000 0.868 306 L CB -0.229 41.802 42.059 -0.046 0.000 1.496 306 L HN 0.662 nan 8.230 nan 0.000 0.519 307 S N -0.708 114.976 115.700 -0.027 0.000 2.566 307 S HA 0.668 5.138 4.470 -0.000 0.000 0.298 307 S C -0.218 174.376 174.600 -0.011 0.000 1.083 307 S CA -0.548 57.636 58.200 -0.028 0.000 0.978 307 S CB 1.554 64.733 63.200 -0.036 0.000 1.073 307 S HN 0.232 nan 8.310 nan 0.000 0.491 308 S N 0.943 116.637 115.700 -0.011 0.000 2.549 308 S HA 0.403 4.873 4.470 -0.000 0.000 0.283 308 S C 0.028 174.596 174.600 -0.053 0.000 1.320 308 S CA -0.783 57.404 58.200 -0.022 0.000 1.058 308 S CB 0.055 63.258 63.200 0.005 0.000 0.882 308 S HN 0.805 nan 8.310 nan 0.000 0.498 309 V N 4.482 124.336 119.914 -0.100 0.000 2.348 309 V HA 0.267 4.387 4.120 -0.000 0.000 0.270 309 V C 0.929 176.957 176.094 -0.110 0.000 1.037 309 V CA -0.539 61.711 62.300 -0.084 0.000 0.872 309 V CB 0.053 31.837 31.823 -0.065 0.000 1.002 309 V HN 0.984 nan 8.190 nan 0.000 0.464 310 I N 2.864 123.397 120.570 -0.063 0.000 2.703 310 I HA -0.053 4.117 4.170 -0.000 0.000 0.259 310 I C 2.116 178.217 176.117 -0.027 0.000 1.151 310 I CA 0.808 62.077 61.300 -0.053 0.000 1.470 310 I CB -0.059 37.925 38.000 -0.027 0.000 1.112 310 I HN 0.742 nan 8.210 nan 0.000 0.437 311 S N 0.487 116.181 115.700 -0.009 0.000 3.170 311 S HA -0.097 4.373 4.470 -0.000 0.000 0.251 311 S C 0.216 174.837 174.600 0.035 0.000 1.036 311 S CA 0.480 58.687 58.200 0.011 0.000 1.181 311 S CB -0.686 62.522 63.200 0.013 0.000 0.922 311 S HN 0.423 nan 8.310 nan 0.000 0.514 312 D N -0.489 119.932 120.400 0.036 0.000 4.198 312 D HA 0.127 4.767 4.640 -0.000 0.000 0.248 312 D C -2.331 174.008 176.300 0.065 0.000 1.482 312 D CA -0.627 53.425 54.000 0.087 0.000 0.784 312 D CB 0.266 41.168 40.800 0.171 0.000 1.375 312 D HN 0.105 nan 8.370 nan 0.000 0.821 313 P HA -0.269 nan 4.420 nan 0.000 0.218 313 P C 1.786 179.089 177.300 0.006 0.000 1.132 313 P CA 1.673 64.771 63.100 -0.004 0.000 0.968 313 P CB 0.028 31.733 31.700 0.010 0.000 0.783 314 I N -2.582 118.005 120.570 0.028 0.000 2.143 314 I HA -0.319 3.850 4.170 -0.000 0.000 0.245 314 I C 2.334 178.446 176.117 -0.008 0.000 1.068 314 I CA 2.117 63.419 61.300 0.004 0.000 1.326 314 I CB -2.236 35.771 38.000 0.011 0.000 1.028 314 I HN 0.040 nan 8.210 nan 0.000 0.412 315 H N 1.411 120.445 119.070 -0.059 0.000 2.319 315 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 315 H C 2.126 177.407 175.328 -0.077 0.000 1.097 315 H CA 1.863 57.870 56.048 -0.069 0.000 1.285 315 H CB -0.636 29.121 29.762 -0.009 0.000 1.368 315 H HN 0.416 nan 8.280 nan 0.000 0.495 316 A N 0.565 123.259 122.820 -0.209 0.000 1.834 316 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 316 A C 2.594 180.210 177.584 0.054 0.000 1.203 316 A CA 1.924 53.797 52.037 -0.273 0.000 0.621 316 A CB -1.144 17.637 19.000 -0.364 0.000 0.841 316 A HN 0.391 nan 8.150 nan 0.000 0.446 317 I N -0.140 120.462 120.570 0.053 0.000 2.093 317 I HA -0.334 3.835 4.170 -0.000 0.000 0.239 317 I C 2.490 178.650 176.117 0.073 0.000 1.026 317 I CA 2.080 63.429 61.300 0.082 0.000 1.295 317 I CB -0.827 37.191 38.000 0.029 0.000 1.007 317 I HN 0.212 nan 8.210 nan 0.000 0.401 318 V N -0.266 119.648 119.914 0.000 0.000 2.220 318 V HA -0.396 3.723 4.120 -0.000 0.000 0.250 318 V C 2.198 178.346 176.094 0.091 0.000 1.056 318 V CA 2.519 64.810 62.300 -0.014 0.000 1.016 318 V CB -1.275 30.446 31.823 -0.170 0.000 0.639 318 V HN 0.465 nan 8.190 nan 0.000 0.446 319 Y N 0.377 120.693 120.300 0.027 0.000 2.002 319 Y HA -0.440 4.110 4.550 -0.000 0.000 0.268 319 Y C 2.707 178.713 175.900 0.177 0.000 1.177 319 Y CA 2.704 60.878 58.100 0.124 0.000 1.111 319 Y CB -0.588 37.896 38.460 0.039 0.000 0.952 319 Y HN 0.221 nan 8.280 nan 0.000 0.491 320 M N -0.001 119.717 119.600 0.196 0.000 2.151 320 M HA -0.332 4.147 4.480 -0.000 0.000 0.256 320 M C 2.073 178.376 176.300 0.004 0.000 1.072 320 M CA 3.020 58.379 55.300 0.098 0.000 1.090 320 M CB -0.576 32.173 32.600 0.248 0.000 1.294 320 M HN 0.455 nan 8.290 nan 0.000 0.415 321 I N -0.035 120.560 120.570 0.042 0.000 2.226 321 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 321 I C 2.652 178.785 176.117 0.026 0.000 1.100 321 I CA 1.143 62.459 61.300 0.027 0.000 1.374 321 I CB -1.081 36.935 38.000 0.027 0.000 1.057 321 I HN 0.484 nan 8.210 nan 0.000 0.413 322 A N 0.952 123.789 122.820 0.028 0.000 1.865 322 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 322 A C 2.340 180.005 177.584 0.135 0.000 1.191 322 A CA 2.253 54.330 52.037 0.067 0.000 0.623 322 A CB -0.684 18.359 19.000 0.071 0.000 0.826 322 A HN 0.402 nan 8.150 nan 0.000 0.444 323 M N -0.025 119.585 119.600 0.016 0.000 2.108 323 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 323 M C 1.632 177.926 176.300 -0.009 0.000 1.066 323 M CA 1.505 56.755 55.300 -0.085 0.000 1.107 323 M CB -0.484 31.803 32.600 -0.523 0.000 1.356 323 M HN 0.349 nan 8.290 nan 0.000 0.406 324 I N 0.820 121.390 120.570 0.001 0.000 2.163 324 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 324 I C 2.500 178.668 176.117 0.084 0.000 1.085 324 I CA 1.901 63.226 61.300 0.040 0.000 1.347 324 I CB -1.706 36.316 38.000 0.035 0.000 1.044 324 I HN 0.513 nan 8.210 nan 0.000 0.408 325 I N -0.503 120.122 120.570 0.091 0.000 2.091 325 I HA -0.302 3.867 4.170 -0.000 0.000 0.239 325 I C 2.493 178.710 176.117 0.166 0.000 1.061 325 I CA 2.157 63.521 61.300 0.107 0.000 1.317 325 I CB -1.557 36.496 38.000 0.088 0.000 1.031 325 I HN 0.055 nan 8.210 nan 0.000 0.401 326 T N 0.966 115.659 114.554 0.232 0.000 2.699 326 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 326 T C 2.100 177.126 174.700 0.542 0.000 1.036 326 T CA 2.003 64.337 62.100 0.390 0.000 1.147 326 T CB -0.725 68.488 68.868 0.576 0.000 0.862 326 T HN 0.547 nan 8.240 nan 0.000 0.446 327 C N 1.012 120.504 119.300 0.319 0.000 2.413 327 C HA -0.060 4.400 4.460 -0.000 0.000 0.278 327 C C 2.856 178.005 174.990 0.264 0.000 1.224 327 C CA 0.319 59.479 59.018 0.237 0.000 1.732 327 C CB -1.363 26.423 27.740 0.076 0.000 2.050 327 C HN 0.376 nan 8.230 nan 0.000 0.463 328 V N 0.992 121.020 119.914 0.190 0.000 2.332 328 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 328 V C 2.429 178.634 176.094 0.185 0.000 1.055 328 V CA 2.471 64.861 62.300 0.150 0.000 1.038 328 V CB -0.782 31.101 31.823 0.101 0.000 0.651 328 V HN 0.627 nan 8.190 nan 0.000 0.450 329 M N -0.554 119.184 119.600 0.229 0.000 2.065 329 M HA -0.240 4.240 4.480 -0.000 0.000 0.259 329 M C 2.168 178.767 176.300 0.499 0.000 1.069 329 M CA 2.341 57.833 55.300 0.319 0.000 1.110 329 M CB -0.313 32.408 32.600 0.201 0.000 1.328 329 M HN 0.299 nan 8.290 nan 0.000 0.405 330 F N 0.100 120.258 119.950 0.348 0.000 2.126 330 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 330 F C 2.560 178.539 175.800 0.299 0.000 1.096 330 F CA 1.637 59.821 58.000 0.306 0.000 1.255 330 F CB -1.421 37.654 39.000 0.124 0.000 0.997 330 F HN 0.302 nan 8.300 nan 0.000 0.479 331 G N 0.324 109.340 108.800 0.361 0.000 2.442 331 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 331 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 331 G C 1.714 176.740 174.900 0.210 0.000 1.141 331 G CA 1.217 46.452 45.100 0.225 0.000 0.763 331 G HN 0.375 nan 8.290 nan 0.000 0.554 332 I N -0.419 120.223 120.570 0.120 0.000 2.233 332 I HA -0.026 4.144 4.170 -0.000 0.000 0.243 332 I C 2.048 178.108 176.117 -0.095 0.000 1.093 332 I CA 0.684 61.941 61.300 -0.072 0.000 1.380 332 I CB -0.288 37.540 38.000 -0.287 0.000 1.067 332 I HN 0.052 nan 8.210 nan 0.000 0.413 333 F N -0.443 119.559 119.950 0.088 0.000 2.722 333 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 333 F C 1.893 177.785 175.800 0.153 0.000 1.175 333 F CA 0.679 58.725 58.000 0.077 0.000 1.462 333 F CB -0.275 38.754 39.000 0.048 0.000 1.111 333 F HN 0.332 nan 8.300 nan 0.000 0.592 334 W N -0.640 120.738 121.300 0.131 0.000 3.008 334 W HA 0.252 4.912 4.660 -0.000 0.000 0.355 334 W C 0.359 176.876 176.519 -0.004 0.000 1.095 334 W CA 0.443 57.833 57.345 0.075 0.000 1.738 334 W CB 0.533 30.051 29.460 0.096 0.000 1.091 334 W HN -0.196 nan 8.180 nan 0.000 0.574 335 V N 0.221 120.165 119.914 0.049 0.000 3.572 335 V HA -0.006 4.114 4.120 -0.000 0.000 0.260 335 V C 1.908 177.939 176.094 -0.106 0.000 1.324 335 V CA 0.498 62.773 62.300 -0.042 0.000 1.068 335 V CB 0.399 32.231 31.823 0.015 0.000 0.837 335 V HN -0.171 nan 8.190 nan 0.000 0.450 336 E N 1.211 121.346 120.200 -0.109 0.000 2.253 336 E HA -0.149 4.201 4.350 -0.000 0.000 0.202 336 E C 1.061 177.577 176.600 -0.139 0.000 1.014 336 E CA 1.829 58.154 56.400 -0.125 0.000 0.823 336 E CB -0.038 29.588 29.700 -0.122 0.000 0.736 336 E HN 0.722 nan 8.360 nan 0.000 0.478 337 T N -2.522 111.920 114.554 -0.187 0.000 2.534 337 T HA 0.003 4.353 4.350 -0.000 0.000 0.191 337 T C -0.797 173.677 174.700 -0.377 0.000 2.241 337 T CA 0.079 62.041 62.100 -0.230 0.000 0.926 337 T CB 0.130 68.870 68.868 -0.213 0.000 2.432 337 T HN -0.103 nan 8.240 nan 0.000 0.313 338 T N 1.094 115.414 114.554 -0.390 0.000 4.293 338 T HA 0.525 4.875 4.350 -0.000 0.000 0.201 338 T C -0.524 174.044 174.700 -0.219 0.000 0.848 338 T CA -0.001 61.802 62.100 -0.496 0.000 1.494 338 T CB 0.399 68.573 68.868 -1.157 0.000 0.788 338 T HN 1.010 nan 8.240 nan 0.000 0.598 339 G N 1.469 110.209 108.800 -0.099 0.000 2.739 339 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 339 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 339 G C -0.626 174.257 174.900 -0.029 0.000 1.478 339 G CA -0.878 44.214 45.100 -0.013 0.000 1.062 339 G HN 0.427 nan 8.290 nan 0.000 0.532 340 L N 2.406 123.621 121.223 -0.013 0.000 3.581 340 L HA -0.200 4.140 4.340 -0.000 0.000 0.539 340 L C 0.888 177.743 176.870 -0.024 0.000 1.001 340 L CA 0.491 55.325 54.840 -0.011 0.000 1.082 340 L CB -1.652 40.407 42.059 -0.000 0.000 0.853 340 L HN 0.866 nan 8.230 nan 0.000 0.683 341 D N 3.765 124.147 120.400 -0.030 0.000 2.440 341 D HA 0.456 5.096 4.640 -0.000 0.000 0.269 341 D C -1.790 174.497 176.300 -0.022 0.000 1.249 341 D CA -1.445 52.532 54.000 -0.037 0.000 1.055 341 D CB 0.234 41.006 40.800 -0.047 0.000 1.104 341 D HN 0.198 nan 8.370 nan 0.000 0.561 342 P HA 0.134 nan 4.420 nan 0.000 0.208 342 P C 0.992 178.288 177.300 -0.007 0.000 1.131 342 P CA 0.913 64.006 63.100 -0.012 0.000 0.906 342 P CB 0.490 32.180 31.700 -0.016 0.000 0.764 343 K N 0.175 120.566 120.400 -0.014 0.000 1.987 343 K HA -0.189 4.131 4.320 -0.000 0.000 0.232 343 K C 2.102 178.698 176.600 -0.006 0.000 1.003 343 K CA 2.327 58.607 56.287 -0.011 0.000 1.066 343 K CB -1.436 31.053 32.500 -0.018 0.000 0.718 343 K HN -0.058 nan 8.250 nan 0.000 0.477 344 S N 0.901 116.596 115.700 -0.009 0.000 2.407 344 S HA -0.285 4.185 4.470 -0.000 0.000 0.244 344 S C 1.957 176.561 174.600 0.006 0.000 1.077 344 S CA 1.901 60.099 58.200 -0.003 0.000 1.159 344 S CB -0.389 62.807 63.200 -0.007 0.000 1.045 344 S HN 0.231 nan 8.310 nan 0.000 0.438 345 M N 1.303 120.908 119.600 0.009 0.000 3.727 345 M HA -0.286 4.194 4.480 -0.000 0.000 0.288 345 M C 2.519 178.837 176.300 0.030 0.000 1.034 345 M CA 2.306 57.620 55.300 0.023 0.000 1.049 345 M CB -2.022 30.591 32.600 0.022 0.000 1.203 345 M HN 0.436 nan 8.290 nan 0.000 0.618 346 A N -0.199 122.637 122.820 0.027 0.000 1.859 346 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 346 A C 2.241 179.837 177.584 0.021 0.000 1.209 346 A CA 2.763 54.818 52.037 0.030 0.000 0.639 346 A CB -1.063 17.951 19.000 0.023 0.000 0.835 346 A HN 0.623 nan 8.150 nan 0.000 0.450 347 K N -0.700 119.706 120.400 0.010 0.000 2.081 347 K HA -0.324 3.996 4.320 -0.000 0.000 0.222 347 K C 2.248 178.852 176.600 0.006 0.000 1.055 347 K CA 2.420 58.709 56.287 0.004 0.000 0.954 347 K CB -0.256 32.243 32.500 -0.001 0.000 0.732 347 K HN 0.568 nan 8.250 nan 0.000 0.458 348 R N 0.181 120.688 120.500 0.011 0.000 2.056 348 R HA 0.072 4.411 4.340 -0.000 0.000 0.220 348 R C 2.066 178.378 176.300 0.021 0.000 1.187 348 R CA 1.094 57.201 56.100 0.012 0.000 0.932 348 R CB -0.706 29.602 30.300 0.013 0.000 0.821 348 R HN 0.204 nan 8.270 nan 0.000 0.449 349 I N 0.346 120.936 120.570 0.033 0.000 4.906 349 I HA -0.379 3.791 4.170 -0.000 0.000 0.038 349 I C 1.173 177.312 176.117 0.037 0.000 0.635 349 I CA 1.438 62.767 61.300 0.048 0.000 0.300 349 I CB -1.584 36.461 38.000 0.074 0.000 0.369 349 I HN 0.568 nan 8.210 nan 0.000 0.171 350 G N 0.436 109.267 108.800 0.051 0.000 2.548 350 G HA2 0.094 4.054 3.960 -0.000 0.000 0.243 350 G HA3 0.094 4.054 3.960 -0.000 0.000 0.243 350 G C 0.387 175.320 174.900 0.055 0.000 0.801 350 G CA 0.652 45.789 45.100 0.062 0.000 0.977 350 G HN 1.160 nan 8.290 nan 0.000 0.363 351 S N 2.108 117.864 115.700 0.092 0.000 5.893 351 S HA 0.252 4.722 4.470 -0.000 0.000 0.145 351 S C 0.913 175.597 174.600 0.140 0.000 1.424 351 S CA 0.323 58.571 58.200 0.081 0.000 0.940 351 S CB -0.332 62.886 63.200 0.030 0.000 1.861 351 S HN 2.181 nan 8.310 nan 0.000 0.596 352 L N 1.526 122.786 121.223 0.061 0.000 4.413 352 L HA -0.029 4.311 4.340 -0.000 0.000 0.499 352 L C 0.381 177.314 176.870 0.105 0.000 1.023 352 L CA 1.184 56.042 54.840 0.030 0.000 0.676 352 L CB -3.177 38.856 42.059 -0.044 0.000 1.640 352 L HN 0.942 nan 8.230 nan 0.000 0.760 353 G N 2.790 111.699 108.800 0.182 0.000 2.363 353 G HA2 0.452 4.412 3.960 -0.000 0.000 0.285 353 G HA3 0.452 4.412 3.960 -0.000 0.000 0.285 353 G C 0.257 175.257 174.900 0.168 0.000 1.084 353 G CA 0.404 45.684 45.100 0.300 0.000 1.216 353 G HN 1.180 nan 8.290 nan 0.000 0.429 354 M N 0.610 120.296 119.600 0.144 0.000 2.945 354 M HA 0.480 4.960 4.480 -0.000 0.000 0.213 354 M C -0.453 175.794 176.300 -0.089 0.000 0.731 354 M CA -1.162 54.159 55.300 0.034 0.000 0.875 354 M CB -0.121 32.482 32.600 0.005 0.000 1.575 354 M HN 1.284 nan 8.290 nan 0.000 0.604 355 A N 2.950 125.737 122.820 -0.055 0.000 2.553 355 A HA 0.551 4.871 4.320 -0.000 0.000 0.258 355 A C 0.838 178.349 177.584 -0.121 0.000 1.069 355 A CA 0.831 52.812 52.037 -0.093 0.000 0.767 355 A CB -0.987 17.929 19.000 -0.140 0.000 0.997 355 A HN 2.232 nan 8.150 nan 0.000 0.512 356 I N -1.107 119.354 120.570 -0.181 0.000 2.485 356 I HA 0.172 4.342 4.170 -0.000 0.000 0.319 356 I C 0.010 176.007 176.117 -0.201 0.000 1.102 356 I CA 0.246 61.453 61.300 -0.155 0.000 0.674 356 I CB -1.065 36.855 38.000 -0.134 0.000 3.283 356 I HN 0.597 nan 8.210 nan 0.000 0.871 357 K N 1.048 121.303 120.400 -0.242 0.000 2.585 357 K HA 0.442 4.762 4.320 -0.000 0.000 0.210 357 K C 1.144 177.523 176.600 -0.368 0.000 1.504 357 K CA 0.716 56.860 56.287 -0.238 0.000 1.029 357 K CB 0.986 33.413 32.500 -0.122 0.000 1.332 357 K HN 0.406 nan 8.250 nan 0.000 0.569 358 G N 0.282 108.848 108.800 -0.389 0.000 3.387 358 G HA2 0.441 4.401 3.960 -0.000 0.000 0.195 358 G HA3 0.441 4.401 3.960 -0.000 0.000 0.195 358 G C -0.122 174.239 174.900 -0.899 0.000 1.853 358 G CA -0.036 44.849 45.100 -0.358 0.000 0.879 358 G HN 0.147 nan 8.290 nan 0.000 0.651 359 F N -2.377 117.563 119.950 -0.016 0.000 4.516 359 F HA 0.523 5.050 4.527 -0.000 0.000 0.333 359 F C 0.085 175.882 175.800 -0.006 0.000 0.972 359 F CA -0.739 57.250 58.000 -0.018 0.000 0.819 359 F CB 0.967 39.959 39.000 -0.012 0.000 1.933 359 F HN 0.508 nan 8.300 nan 0.000 0.491 360 R N 0.533 121.189 120.500 0.259 0.000 3.041 360 R HA 0.737 5.077 4.340 -0.000 0.000 0.254 360 R C -1.825 174.545 176.300 0.117 0.000 1.244 360 R CA -0.341 55.850 56.100 0.151 0.000 1.023 360 R CB 2.647 33.019 30.300 0.120 0.000 1.332 360 R HN 0.722 nan 8.270 nan 0.000 0.463 361 K N -1.155 119.303 120.400 0.097 0.000 4.085 361 K HA 0.126 4.445 4.320 -0.000 0.000 0.515 361 K C -1.006 175.633 176.600 0.065 0.000 0.970 361 K CA -0.675 55.651 56.287 0.066 0.000 0.835 361 K CB -0.001 32.526 32.500 0.046 0.000 1.590 361 K HN 0.455 nan 8.250 nan 0.000 0.659 362 S N -0.700 115.027 115.700 0.046 0.000 2.737 362 S HA 0.252 4.722 4.470 -0.000 0.000 0.249 362 S C 1.242 175.874 174.600 0.053 0.000 1.415 362 S CA 2.063 60.289 58.200 0.043 0.000 0.967 362 S CB -0.214 63.015 63.200 0.049 0.000 0.937 362 S HN 1.798 nan 8.310 nan 0.000 0.574 363 A N 0.578 123.429 122.820 0.052 0.000 2.070 363 A HA -0.218 4.101 4.320 -0.000 0.000 0.231 363 A C 1.688 179.335 177.584 0.104 0.000 0.501 363 A CA 1.728 53.803 52.037 0.063 0.000 1.119 363 A CB -2.399 16.626 19.000 0.041 0.000 1.430 363 A HN 0.736 nan 8.150 nan 0.000 0.706 364 I N 0.370 120.994 120.570 0.089 0.000 2.118 364 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 364 I C 2.398 178.547 176.117 0.054 0.000 1.070 364 I CA 2.437 63.785 61.300 0.080 0.000 1.327 364 I CB -1.586 36.490 38.000 0.127 0.000 1.034 364 I HN 0.794 nan 8.210 nan 0.000 0.405 365 E N 0.265 120.508 120.200 0.072 0.000 2.049 365 E HA -0.316 4.034 4.350 -0.000 0.000 0.198 365 E C 2.440 179.074 176.600 0.055 0.000 1.007 365 E CA 1.676 58.108 56.400 0.053 0.000 0.809 365 E CB -0.339 29.397 29.700 0.060 0.000 0.749 365 E HN 0.514 nan 8.360 nan 0.000 0.450 366 H N 0.513 119.587 119.070 0.006 0.000 2.265 366 H HA -0.199 4.356 4.556 -0.000 0.000 0.295 366 H C 2.371 177.711 175.328 0.019 0.000 1.084 366 H CA 2.377 58.428 56.048 0.005 0.000 1.261 366 H CB -0.100 29.667 29.762 0.008 0.000 1.360 366 H HN 0.037 nan 8.280 nan 0.000 0.487 367 R N 0.867 121.466 120.500 0.166 0.000 2.094 367 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 367 R C 2.954 179.327 176.300 0.122 0.000 1.137 367 R CA 1.806 58.019 56.100 0.187 0.000 0.943 367 R CB -1.022 29.380 30.300 0.170 0.000 0.850 367 R HN 0.428 nan 8.270 nan 0.000 0.433 368 L N 0.457 121.673 121.223 -0.012 0.000 1.971 368 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 368 L C 2.672 179.517 176.870 -0.041 0.000 1.072 368 L CA 2.239 57.037 54.840 -0.071 0.000 0.758 368 L CB -0.738 41.232 42.059 -0.150 0.000 0.889 368 L HN 0.301 nan 8.230 nan 0.000 0.433 369 K N 0.327 120.677 120.400 -0.082 0.000 2.089 369 K HA -0.280 4.040 4.320 -0.000 0.000 0.210 369 K C 2.341 178.850 176.600 -0.153 0.000 1.048 369 K CA 1.820 58.042 56.287 -0.109 0.000 0.926 369 K CB -0.107 32.314 32.500 -0.132 0.000 0.714 369 K HN 0.149 nan 8.250 nan 0.000 0.448 370 R N -0.362 119.991 120.500 -0.245 0.000 2.070 370 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 370 R C 1.073 177.185 176.300 -0.314 0.000 1.138 370 R CA 1.792 57.681 56.100 -0.351 0.000 0.936 370 R CB -0.304 29.689 30.300 -0.511 0.000 0.839 370 R HN 0.260 nan 8.270 nan 0.000 0.429 371 Y N -0.062 120.182 120.300 -0.093 0.000 2.581 371 Y HA 0.146 4.696 4.550 -0.000 0.000 0.346 371 Y C 1.241 177.121 175.900 -0.034 0.000 1.147 371 Y CA 0.037 58.103 58.100 -0.056 0.000 1.353 371 Y CB 0.088 38.514 38.460 -0.058 0.000 1.187 371 Y HN 0.222 nan 8.280 nan 0.000 0.505 372 I N -0.547 120.052 120.570 0.047 0.000 4.526 372 I HA 0.185 4.355 4.170 -0.000 0.000 0.330 372 I C -1.731 174.409 176.117 0.038 0.000 1.323 372 I CA -0.821 60.509 61.300 0.051 0.000 1.218 372 I CB 0.750 38.758 38.000 0.012 0.000 1.233 372 I HN -0.071 nan 8.210 nan 0.000 0.430 373 P HA 0.066 nan 4.420 nan 0.000 0.252 373 P C -1.813 175.515 177.300 0.046 0.000 1.265 373 P CA 0.382 63.480 63.100 -0.003 0.000 0.775 373 P CB -0.372 31.298 31.700 -0.049 0.000 1.128 374 P HA -0.032 nan 4.420 nan 0.000 0.218 374 P C 1.328 178.845 177.300 0.363 0.000 1.151 374 P CA 0.415 63.642 63.100 0.211 0.000 0.850 374 P CB 0.083 31.921 31.700 0.230 0.000 0.801 375 L N 0.424 121.802 121.223 0.259 0.000 2.008 375 L HA -0.076 4.264 4.340 -0.000 0.000 0.236 375 L C 1.706 178.503 176.870 -0.123 0.000 1.082 375 L CA 2.270 56.957 54.840 -0.254 0.000 1.932 375 L CB -1.726 40.071 42.059 -0.437 0.000 1.627 375 L HN 0.035 nan 8.230 nan 0.000 0.843 376 T N -1.002 113.466 114.554 -0.144 0.000 2.733 376 T HA -0.418 3.932 4.350 -0.000 0.000 0.146 376 T C 1.494 176.191 174.700 -0.004 0.000 1.745 376 T CA 3.257 65.327 62.100 -0.049 0.000 0.909 376 T CB -1.736 67.126 68.868 -0.010 0.000 0.877 376 T HN 0.364 nan 8.240 nan 0.000 0.458 377 V N 2.045 121.976 119.914 0.030 0.000 2.214 377 V HA -0.275 3.844 4.120 -0.000 0.000 0.247 377 V C 2.635 178.792 176.094 0.106 0.000 1.051 377 V CA 2.675 65.011 62.300 0.060 0.000 1.003 377 V CB -0.679 31.176 31.823 0.052 0.000 0.635 377 V HN 0.436 nan 8.190 nan 0.000 0.447 378 M N 0.030 119.730 119.600 0.167 0.000 2.126 378 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 378 M C 2.543 179.050 176.300 0.345 0.000 1.073 378 M CA 2.285 57.757 55.300 0.286 0.000 1.103 378 M CB -1.890 30.955 32.600 0.410 0.000 1.284 378 M HN 0.513 nan 8.290 nan 0.000 0.420 379 S N 0.775 116.596 115.700 0.202 0.000 2.426 379 S HA -0.266 4.204 4.470 -0.000 0.000 0.253 379 S C 2.086 176.778 174.600 0.154 0.000 1.104 379 S CA 3.350 61.531 58.200 -0.032 0.000 1.158 379 S CB -0.458 62.441 63.200 -0.503 0.000 1.043 379 S HN 0.689 nan 8.310 nan 0.000 0.443 380 S N 1.837 117.586 115.700 0.081 0.000 2.325 380 S HA 0.197 4.667 4.470 -0.000 0.000 0.214 380 S C 2.251 176.923 174.600 0.119 0.000 1.031 380 S CA 1.231 59.473 58.200 0.071 0.000 0.972 380 S CB -1.432 61.800 63.200 0.054 0.000 0.908 380 S HN 0.898 nan 8.310 nan 0.000 0.453 381 A N 1.942 124.848 122.820 0.143 0.000 1.929 381 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 381 A C 1.977 179.690 177.584 0.215 0.000 1.211 381 A CA 2.203 54.329 52.037 0.149 0.000 0.657 381 A CB -1.442 17.642 19.000 0.140 0.000 0.827 381 A HN 0.630 nan 8.150 nan 0.000 0.462 382 F N 0.429 120.468 119.950 0.149 0.000 2.000 382 F HA -0.128 4.399 4.527 -0.000 0.000 0.295 382 F C 2.274 178.185 175.800 0.186 0.000 1.159 382 F CA 1.858 59.984 58.000 0.211 0.000 1.171 382 F CB -1.075 38.067 39.000 0.236 0.000 0.971 382 F HN 0.044 nan 8.300 nan 0.000 0.479 383 V N 1.276 121.108 119.914 -0.136 0.000 2.232 383 V HA -0.436 3.684 4.120 -0.000 0.000 0.254 383 V C 2.753 178.680 176.094 -0.279 0.000 1.058 383 V CA 2.594 64.713 62.300 -0.301 0.000 1.048 383 V CB -1.821 29.966 31.823 -0.060 0.000 0.668 383 V HN 0.700 nan 8.190 nan 0.000 0.462 384 G N -1.174 107.550 108.800 -0.126 0.000 2.597 384 G HA2 -0.404 3.555 3.960 -0.000 0.000 0.222 384 G HA3 -0.404 3.555 3.960 -0.000 0.000 0.222 384 G C 1.400 176.223 174.900 -0.128 0.000 1.135 384 G CA 1.625 46.652 45.100 -0.123 0.000 0.759 384 G HN 0.527 nan 8.290 nan 0.000 0.595 385 F N 1.310 121.120 119.950 -0.234 0.000 2.010 385 F HA -0.026 4.501 4.527 -0.000 0.000 0.296 385 F C 2.431 178.031 175.800 -0.333 0.000 1.146 385 F CA 1.579 59.434 58.000 -0.241 0.000 1.181 385 F CB -1.104 37.800 39.000 -0.159 0.000 0.965 385 F HN 0.136 nan 8.300 nan 0.000 0.480 386 L N 1.129 121.845 121.223 -0.844 0.000 1.997 386 L HA -0.299 4.041 4.340 -0.000 0.000 0.227 386 L C 2.569 179.096 176.870 -0.572 0.000 1.087 386 L CA 3.032 57.352 54.840 -0.866 0.000 0.797 386 L CB -1.472 40.080 42.059 -0.844 0.000 0.902 386 L HN 0.360 nan 8.230 nan 0.000 0.441 387 A N -1.723 120.855 122.820 -0.403 0.000 1.881 387 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 387 A C 2.295 179.731 177.584 -0.246 0.000 1.215 387 A CA 3.111 54.991 52.037 -0.260 0.000 0.648 387 A CB -1.568 17.311 19.000 -0.201 0.000 0.832 387 A HN 0.610 nan 8.150 nan 0.000 0.455 388 T N -0.332 114.062 114.554 -0.266 0.000 2.607 388 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 388 T C 1.835 176.214 174.700 -0.534 0.000 1.049 388 T CA 1.675 63.647 62.100 -0.213 0.000 1.162 388 T CB -0.434 68.317 68.868 -0.194 0.000 0.863 388 T HN 0.438 nan 8.240 nan 0.000 0.424 389 I N 0.761 120.852 120.570 -0.800 0.000 2.423 389 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 389 I C 2.422 178.258 176.117 -0.469 0.000 1.151 389 I CA 1.082 61.842 61.300 -0.900 0.000 1.421 389 I CB -0.263 37.201 38.000 -0.892 0.000 1.079 389 I HN 0.231 nan 8.210 nan 0.000 0.431 390 A N 0.227 122.826 122.820 -0.367 0.000 2.070 390 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 390 A C 1.904 179.424 177.584 -0.107 0.000 1.159 390 A CA 1.980 53.888 52.037 -0.215 0.000 0.656 390 A CB -0.872 18.010 19.000 -0.198 0.000 0.800 390 A HN 0.641 nan 8.150 nan 0.000 0.453 391 N N -1.396 117.285 118.700 -0.032 0.000 2.336 391 N HA 0.095 4.835 4.740 -0.000 0.000 0.177 391 N C 1.417 177.103 175.510 0.293 0.000 1.018 391 N CA 0.556 53.722 53.050 0.192 0.000 0.878 391 N CB -0.204 38.498 38.487 0.360 0.000 0.997 391 N HN 0.539 nan 8.380 nan 0.000 0.433 392 F N 1.383 121.324 119.950 -0.016 0.000 2.043 392 F HA -0.243 4.284 4.527 -0.000 0.000 0.297 392 F C 2.544 178.323 175.800 -0.035 0.000 1.121 392 F CA 0.412 58.390 58.000 -0.036 0.000 1.199 392 F CB -0.287 38.689 39.000 -0.040 0.000 0.968 392 F HN 0.045 nan 8.300 nan 0.000 0.478 393 I N 0.768 121.432 120.570 0.158 0.000 2.185 393 I HA -0.089 4.081 4.170 -0.000 0.000 0.246 393 I C 1.070 177.190 176.117 0.005 0.000 1.088 393 I CA 1.548 62.870 61.300 0.036 0.000 1.347 393 I CB -1.113 36.864 38.000 -0.037 0.000 1.041 393 I HN 0.209 nan 8.210 nan 0.000 0.415 394 G N 0.130 108.938 108.800 0.014 0.000 2.977 394 G HA2 0.328 4.288 3.960 -0.000 0.000 0.686 394 G HA3 0.328 4.288 3.960 -0.000 0.000 0.686 394 G C -0.453 174.364 174.900 -0.139 0.000 1.088 394 G CA -0.100 44.989 45.100 -0.018 0.000 0.845 394 G HN 1.389 nan 8.290 nan 0.000 0.565 395 A N 1.839 124.516 122.820 -0.238 0.000 2.599 395 A HA 0.897 5.217 4.320 -0.000 0.000 0.290 395 A C -0.325 177.081 177.584 -0.296 0.000 1.101 395 A CA -0.198 51.669 52.037 -0.283 0.000 0.674 395 A CB 1.484 20.283 19.000 -0.335 0.000 1.277 395 A HN 2.276 nan 8.150 nan 0.000 0.419 396 L N 1.305 122.368 121.223 -0.266 0.000 2.453 396 L HA 0.478 4.818 4.340 -0.000 0.000 0.272 396 L C 1.424 178.211 176.870 -0.139 0.000 1.182 396 L CA 2.474 57.210 54.840 -0.174 0.000 0.858 396 L CB 0.576 42.547 42.059 -0.146 0.000 1.120 396 L HN 2.062 nan 8.230 nan 0.000 0.474 397 G N 2.440 111.196 108.800 -0.073 0.000 2.320 397 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.242 397 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.242 397 G C 0.716 175.551 174.900 -0.107 0.000 1.033 397 G CA -0.103 44.981 45.100 -0.026 0.000 0.620 397 G HN 2.065 nan 8.290 nan 0.000 0.517 398 G N -1.528 107.100 108.800 -0.287 0.000 3.239 398 G HA2 0.485 4.445 3.960 -0.000 0.000 0.666 398 G HA3 0.485 4.445 3.960 -0.000 0.000 0.666 398 G C 1.030 175.679 174.900 -0.418 0.000 1.313 398 G CA 0.756 45.537 45.100 -0.533 0.000 1.001 398 G HN 1.679 nan 8.290 nan 0.000 0.573 399 G N 0.606 109.063 108.800 -0.572 0.000 2.440 399 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.218 399 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.218 399 G C 1.793 176.608 174.900 -0.141 0.000 1.154 399 G CA 2.452 47.390 45.100 -0.269 0.000 0.767 399 G HN 1.496 nan 8.290 nan 0.000 0.552 400 T N -0.050 114.453 114.554 -0.086 0.000 2.937 400 T HA 0.130 4.480 4.350 -0.000 0.000 0.260 400 T C 2.477 177.151 174.700 -0.042 0.000 1.051 400 T CA 1.700 63.775 62.100 -0.041 0.000 1.141 400 T CB -0.542 68.341 68.868 0.024 0.000 0.879 400 T HN 0.257 nan 8.240 nan 0.000 0.459 401 G N 1.391 110.167 108.800 -0.040 0.000 2.422 401 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 401 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 401 G C 1.757 176.659 174.900 0.003 0.000 1.146 401 G CA 1.452 46.541 45.100 -0.019 0.000 0.769 401 G HN 0.624 nan 8.290 nan 0.000 0.547 402 V N -0.148 119.781 119.914 0.027 0.000 2.392 402 V HA -0.151 3.969 4.120 -0.000 0.000 0.249 402 V C 2.570 178.705 176.094 0.068 0.000 1.059 402 V CA 1.840 64.223 62.300 0.138 0.000 1.051 402 V CB -0.741 31.242 31.823 0.267 0.000 0.658 402 V HN 0.332 nan 8.190 nan 0.000 0.455 403 L N -0.514 120.718 121.223 0.014 0.000 1.989 403 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 403 L C 2.589 179.450 176.870 -0.015 0.000 1.071 403 L CA 2.135 56.968 54.840 -0.012 0.000 0.749 403 L CB -0.230 41.795 42.059 -0.056 0.000 0.890 403 L HN 0.318 nan 8.230 nan 0.000 0.431 404 L N -0.734 120.475 121.223 -0.023 0.000 1.976 404 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 404 L C 2.552 179.406 176.870 -0.027 0.000 1.071 404 L CA 1.952 56.778 54.840 -0.023 0.000 0.746 404 L CB -1.268 40.771 42.059 -0.034 0.000 0.890 404 L HN 0.278 nan 8.230 nan 0.000 0.432 405 T N -0.011 114.526 114.554 -0.027 0.000 2.570 405 T HA -0.239 4.110 4.350 -0.000 0.000 0.266 405 T C 1.980 176.639 174.700 -0.069 0.000 1.071 405 T CA 1.987 64.061 62.100 -0.044 0.000 1.172 405 T CB -0.499 68.349 68.868 -0.034 0.000 0.864 405 T HN 0.070 nan 8.240 nan 0.000 0.421 406 V N 1.397 121.258 119.914 -0.089 0.000 2.317 406 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 406 V C 2.690 178.753 176.094 -0.052 0.000 1.065 406 V CA 2.250 64.482 62.300 -0.113 0.000 1.049 406 V CB -0.960 30.794 31.823 -0.115 0.000 0.651 406 V HN 0.457 nan 8.190 nan 0.000 0.450 407 S N -0.141 115.540 115.700 -0.033 0.000 2.335 407 S HA -0.091 4.379 4.470 -0.000 0.000 0.216 407 S C 1.884 176.436 174.600 -0.080 0.000 1.032 407 S CA 1.775 59.960 58.200 -0.025 0.000 1.000 407 S CB -0.388 62.814 63.200 0.004 0.000 0.928 407 S HN 0.520 nan 8.310 nan 0.000 0.434 408 I N 1.543 122.061 120.570 -0.086 0.000 2.236 408 I HA -0.191 3.979 4.170 -0.000 0.000 0.249 408 I C 2.172 178.235 176.117 -0.089 0.000 1.102 408 I CA 1.009 62.243 61.300 -0.109 0.000 1.365 408 I CB -0.661 37.293 38.000 -0.076 0.000 1.051 408 I HN 0.145 nan 8.210 nan 0.000 0.420 409 V N -0.047 119.836 119.914 -0.052 0.000 2.358 409 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 409 V C 2.275 178.395 176.094 0.043 0.000 1.047 409 V CA 1.865 64.149 62.300 -0.026 0.000 1.035 409 V CB -0.710 31.085 31.823 -0.047 0.000 0.658 409 V HN 0.393 nan 8.190 nan 0.000 0.452 410 Y N 2.002 122.253 120.300 -0.081 0.000 2.220 410 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 410 Y C 2.719 178.605 175.900 -0.024 0.000 1.129 410 Y CA 1.873 59.968 58.100 -0.009 0.000 1.161 410 Y CB -0.276 38.169 38.460 -0.025 0.000 0.997 410 Y HN 0.292 nan 8.280 nan 0.000 0.522 411 R N -0.282 120.116 120.500 -0.169 0.000 2.241 411 R HA -0.147 4.193 4.340 -0.000 0.000 0.224 411 R C 1.965 178.124 176.300 -0.234 0.000 1.101 411 R CA 1.764 57.655 56.100 -0.348 0.000 0.995 411 R CB -0.648 29.281 30.300 -0.619 0.000 0.870 411 R HN 0.431 nan 8.270 nan 0.000 0.463 412 M N 0.105 119.620 119.600 -0.142 0.000 2.476 412 M HA -0.015 4.465 4.480 -0.000 0.000 0.262 412 M C 1.532 177.813 176.300 -0.033 0.000 1.111 412 M CA 0.857 56.106 55.300 -0.086 0.000 1.127 412 M CB 0.074 32.637 32.600 -0.062 0.000 1.376 412 M HN 0.260 nan 8.290 nan 0.000 0.465 413 Y N 1.008 121.189 120.300 -0.198 0.000 2.206 413 Y HA -0.074 4.475 4.550 -0.000 0.000 0.292 413 Y C 1.763 177.537 175.900 -0.210 0.000 1.123 413 Y CA 1.686 59.680 58.100 -0.177 0.000 1.142 413 Y CB -0.484 37.864 38.460 -0.188 0.000 1.006 413 Y HN 0.252 nan 8.280 nan 0.000 0.518 414 E N 0.251 120.132 120.200 -0.532 0.000 2.058 414 E HA -0.345 4.005 4.350 -0.000 0.000 0.194 414 E C 2.177 178.593 176.600 -0.307 0.000 0.997 414 E CA 1.662 57.719 56.400 -0.571 0.000 0.801 414 E CB -0.311 29.112 29.700 -0.462 0.000 0.746 414 E HN 0.595 nan 8.360 nan 0.000 0.450 415 Q N 0.786 120.471 119.800 -0.192 0.000 2.077 415 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 415 Q C 2.241 178.223 176.000 -0.032 0.000 0.989 415 Q CA 1.289 57.036 55.803 -0.094 0.000 0.853 415 Q CB -0.106 28.586 28.738 -0.076 0.000 0.907 415 Q HN 0.281 nan 8.270 nan 0.000 0.418 416 L N 0.006 121.219 121.223 -0.017 0.000 2.265 416 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 416 L C 1.988 178.940 176.870 0.137 0.000 1.117 416 L CA 0.596 55.517 54.840 0.134 0.000 0.782 416 L CB -0.215 41.934 42.059 0.151 0.000 0.914 416 L HN 0.371 nan 8.230 nan 0.000 0.441 417 L N -1.324 119.848 121.223 -0.085 0.000 2.189 417 L HA -0.045 4.294 4.340 -0.000 0.000 0.199 417 L C 2.586 179.401 176.870 -0.092 0.000 1.074 417 L CA 0.545 55.301 54.840 -0.140 0.000 0.783 417 L CB -0.464 41.409 42.059 -0.310 0.000 0.955 417 L HN 0.100 nan 8.230 nan 0.000 0.460 418 R N 0.147 120.592 120.500 -0.092 0.000 2.226 418 R HA -0.179 4.161 4.340 -0.000 0.000 0.246 418 R C 2.002 178.304 176.300 0.003 0.000 1.161 418 R CA 1.068 57.139 56.100 -0.049 0.000 0.997 418 R CB -0.052 30.221 30.300 -0.045 0.000 0.870 418 R HN 0.424 nan 8.270 nan 0.000 0.465 419 E N 0.251 120.495 120.200 0.074 0.000 2.057 419 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 419 E C 1.688 178.267 176.600 -0.034 0.000 0.969 419 E CA 0.540 57.059 56.400 0.199 0.000 0.812 419 E CB -0.206 29.819 29.700 0.541 0.000 0.777 419 E HN 0.209 nan 8.360 nan 0.000 0.455 420 K N 1.327 121.558 120.400 -0.282 0.000 2.293 420 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 420 K C 1.794 178.200 176.600 -0.324 0.000 1.045 420 K CA 1.069 56.978 56.287 -0.630 0.000 0.933 420 K CB 0.192 32.429 32.500 -0.438 0.000 0.736 420 K HN -0.065 nan 8.250 nan 0.000 0.463 421 V N -0.317 119.495 119.914 -0.171 0.000 2.581 421 V HA -0.078 4.042 4.120 -0.000 0.000 0.240 421 V C 1.903 177.961 176.094 -0.061 0.000 1.054 421 V CA 1.324 63.563 62.300 -0.102 0.000 1.076 421 V CB 0.246 32.035 31.823 -0.057 0.000 0.748 421 V HN 0.238 nan 8.190 nan 0.000 0.474 422 S N 0.122 115.805 115.700 -0.028 0.000 2.493 422 S HA -0.206 4.264 4.470 -0.000 0.000 0.243 422 S C 1.641 176.238 174.600 -0.006 0.000 0.991 422 S CA 1.276 59.480 58.200 0.007 0.000 0.957 422 S CB -0.292 62.925 63.200 0.028 0.000 0.756 422 S HN 0.607 nan 8.310 nan 0.000 0.521 423 E N 0.031 120.200 120.200 -0.052 0.000 2.416 423 E HA 0.155 4.505 4.350 -0.000 0.000 0.189 423 E C 0.850 177.394 176.600 -0.093 0.000 1.091 423 E CA 0.164 56.526 56.400 -0.063 0.000 0.889 423 E CB 0.005 29.625 29.700 -0.133 0.000 1.015 423 E HN 0.251 nan 8.360 nan 0.000 0.479 424 L N -0.810 120.351 121.223 -0.103 0.000 2.920 424 L HA 0.203 4.543 4.340 -0.000 0.000 0.168 424 L C 0.144 176.894 176.870 -0.200 0.000 1.141 424 L CA 0.341 55.067 54.840 -0.190 0.000 0.859 424 L CB 0.021 41.916 42.059 -0.275 0.000 1.398 424 L HN 0.095 nan 8.230 nan 0.000 0.517 425 H N 1.284 120.337 119.070 -0.028 0.000 3.008 425 H HA 0.263 4.818 4.556 -0.000 0.000 0.268 425 H C -1.921 173.397 175.328 -0.016 0.000 1.323 425 H CA -2.096 53.940 56.048 -0.021 0.000 1.401 425 H CB 0.023 29.773 29.762 -0.021 0.000 1.556 425 H HN 0.028 nan 8.280 nan 0.000 0.502 426 P HA 0.084 nan 4.420 nan 0.000 0.245 426 P C 0.329 177.657 177.300 0.046 0.000 1.670 426 P CA 0.385 63.513 63.100 0.047 0.000 1.146 426 P CB 0.318 32.034 31.700 0.026 0.000 1.954 427 A N 1.865 124.713 122.820 0.047 0.000 2.373 427 A HA 0.017 4.337 4.320 -0.000 0.000 0.190 427 A C 0.828 178.421 177.584 0.014 0.000 1.544 427 A CA -0.186 51.866 52.037 0.025 0.000 1.699 427 A CB -0.765 18.247 19.000 0.020 0.000 1.614 427 A HN 0.291 nan 8.150 nan 0.000 0.667 428 I N 0.228 120.805 120.570 0.013 0.000 2.908 428 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 428 I C 0.802 176.923 176.117 0.007 0.000 0.976 428 I CA 0.593 61.892 61.300 -0.002 0.000 2.557 428 I CB -0.216 37.773 38.000 -0.019 0.000 1.609 428 I HN 0.285 nan 8.210 nan 0.000 1.132 429 A N 3.449 126.274 122.820 0.008 0.000 2.476 429 A HA 0.268 4.588 4.320 -0.000 0.000 0.263 429 A C 1.301 178.887 177.584 0.004 0.000 1.342 429 A CA -0.235 51.807 52.037 0.008 0.000 0.926 429 A CB -0.254 18.751 19.000 0.009 0.000 1.019 429 A HN 0.732 nan 8.150 nan 0.000 0.515 430 K N -1.019 119.381 120.400 0.001 0.000 2.608 430 K HA 0.292 4.612 4.320 -0.000 0.000 0.209 430 K C -0.102 176.497 176.600 -0.001 0.000 1.369 430 K CA -0.139 56.149 56.287 0.000 0.000 1.029 430 K CB 0.439 32.938 32.500 -0.001 0.000 1.139 430 K HN 0.360 nan 8.250 nan 0.000 0.623 431 L N 0.000 121.220 121.223 -0.005 0.000 2.949 431 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 431 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 431 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 431 L HN 0.000 nan 8.230 nan 0.000 0.502