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 1l0q_1_D DATA FIRST_RESID 1 DATA SEQUENCE STFAYIANSE SDNISVIDVT SNKVTATIPV GSNPXGAVIS PDGTKVYVAN DATA SEQUENCE AHSNDVSIID TATNNVIATV PAGSSPQGVA VSPDGKQVYV TNXASSTLSV DATA SEQUENCE IDTTSNTVAG TVKTGKSPLG LALSPDGKKL YVTNNGDKTV SVINTVTKAV DATA SEQUENCE INTVSVGRSP KGIAVTPDGT KVYVANFDSX SISVIDTVTN SVIDTVKVEA DATA SEQUENCE APSGIAVNPE GTKAYVTNVD KYFNTVSXID TGTNKITARI PVGPDPAGIA DATA SEQUENCE VTPDGKKVYV ALSFXNTVSV IDTATNTITA TXAVGKNPYA SGQFIGSIPV DATA SEQUENCE QPVYPSADFK SNITSGYIFL SEPVQFTDLS KDATEWKWDF GDGSSSKKQN DATA SEQUENCE PTHTYSETGI YTVRLTVSNS NGTDSQISTV NVVLKGSPTP S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.648 174.600 0.081 0.000 1.055 1 S CA 0.000 58.254 58.200 0.090 0.000 1.107 1 S CB 0.000 63.420 63.200 0.367 0.000 0.593 2 T N 3.658 118.094 114.554 -0.196 0.000 2.797 2 T HA 0.749 5.099 4.350 -0.000 0.000 0.279 2 T C -1.086 173.330 174.700 -0.473 0.000 0.991 2 T CA -0.238 61.773 62.100 -0.149 0.000 0.979 2 T CB 0.240 69.029 68.868 -0.132 0.000 0.943 2 T HN 0.510 nan 8.240 nan 0.000 0.444 3 F N 1.064 121.006 119.950 -0.013 0.000 2.588 3 F HA 0.734 5.261 4.527 -0.000 0.000 0.314 3 F C 0.151 175.846 175.800 -0.175 0.000 1.069 3 F CA -1.155 56.762 58.000 -0.138 0.000 0.931 3 F CB 1.689 40.573 39.000 -0.193 0.000 1.260 3 F HN 0.615 nan 8.300 nan 0.000 0.465 4 A N 1.304 124.024 122.820 -0.166 0.000 2.337 4 A HA 0.807 5.127 4.320 -0.000 0.000 0.329 4 A C -2.107 175.306 177.584 -0.286 0.000 1.146 4 A CA -0.510 51.486 52.037 -0.068 0.000 0.800 4 A CB 0.550 19.438 19.000 -0.187 0.000 1.220 4 A HN 0.645 nan 8.150 nan 0.000 0.472 5 Y N 2.470 122.868 120.300 0.165 0.000 2.326 5 Y HA 0.462 5.012 4.550 -0.000 0.000 0.331 5 Y C -0.191 175.642 175.900 -0.112 0.000 0.962 5 Y CA -0.945 57.183 58.100 0.047 0.000 1.167 5 Y CB 1.451 39.955 38.460 0.074 0.000 1.148 5 Y HN 0.395 nan 8.280 nan 0.000 0.463 6 I N 3.229 123.746 120.570 -0.088 0.000 2.339 6 I HA 0.458 4.628 4.170 -0.000 0.000 0.290 6 I C 0.307 176.366 176.117 -0.097 0.000 0.994 6 I CA -1.192 59.972 61.300 -0.226 0.000 1.191 6 I CB 1.004 38.868 38.000 -0.227 0.000 1.343 6 I HN 0.676 nan 8.210 nan 0.000 0.458 7 A N 7.184 129.954 122.820 -0.084 0.000 2.354 7 A HA 0.389 4.709 4.320 -0.000 0.000 0.281 7 A C 0.099 177.675 177.584 -0.014 0.000 1.174 7 A CA -0.489 51.537 52.037 -0.019 0.000 0.828 7 A CB -0.164 18.844 19.000 0.014 0.000 1.099 7 A HN 0.707 nan 8.150 nan 0.000 0.516 8 N N 2.732 121.425 118.700 -0.011 0.000 2.589 8 N HA 0.089 4.829 4.740 -0.000 0.000 0.232 8 N C 1.282 176.798 175.510 0.010 0.000 1.015 8 N CA 0.474 53.519 53.050 -0.008 0.000 0.931 8 N CB 1.554 40.024 38.487 -0.028 0.000 1.150 8 N HN 0.772 nan 8.380 nan 0.000 0.512 9 S N 1.683 117.416 115.700 0.055 0.000 2.372 9 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 9 S C 1.268 175.855 174.600 -0.022 0.000 1.044 9 S CA 1.014 59.227 58.200 0.021 0.000 1.050 9 S CB -0.048 63.195 63.200 0.072 0.000 0.901 9 S HN 0.482 nan 8.310 nan 0.000 0.447 10 E N 1.469 121.669 120.200 -0.000 0.000 2.152 10 E HA -0.029 4.320 4.350 -0.000 0.000 0.192 10 E C 2.095 178.682 176.600 -0.023 0.000 0.983 10 E CA 1.258 57.647 56.400 -0.018 0.000 0.818 10 E CB -0.256 29.435 29.700 -0.015 0.000 0.758 10 E HN 0.844 nan 8.360 nan 0.000 0.467 11 S N 0.480 116.167 115.700 -0.022 0.000 2.605 11 S HA 0.026 4.496 4.470 -0.000 0.000 0.217 11 S C -0.015 174.574 174.600 -0.019 0.000 0.958 11 S CA -0.203 57.984 58.200 -0.022 0.000 0.919 11 S CB 0.041 63.225 63.200 -0.027 0.000 0.780 11 S HN -0.052 nan 8.310 nan 0.000 0.507 12 D N 2.659 123.047 120.400 -0.020 0.000 2.704 12 D HA -0.140 4.500 4.640 -0.000 0.000 0.232 12 D C -0.172 176.120 176.300 -0.012 0.000 1.183 12 D CA 1.506 55.496 54.000 -0.016 0.000 0.647 12 D CB -1.812 38.981 40.800 -0.012 0.000 1.013 12 D HN 0.859 nan 8.370 nan 0.000 0.415 13 N N -1.488 117.205 118.700 -0.011 0.000 3.020 13 N HA 0.560 5.300 4.740 -0.000 0.000 0.248 13 N C -1.412 174.096 175.510 -0.003 0.000 1.480 13 N CA -0.893 52.153 53.050 -0.008 0.000 0.874 13 N CB 0.821 39.299 38.487 -0.014 0.000 1.433 13 N HN -0.102 nan 8.380 nan 0.000 0.530 14 I N 0.500 121.074 120.570 0.007 0.000 2.433 14 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 14 I C -0.293 175.830 176.117 0.010 0.000 1.001 14 I CA -0.561 60.754 61.300 0.024 0.000 1.119 14 I CB 1.338 39.384 38.000 0.076 0.000 1.289 14 I HN 0.535 nan 8.210 nan 0.000 0.438 15 S N 5.043 120.732 115.700 -0.018 0.000 2.438 15 S HA 0.473 4.943 4.470 -0.000 0.000 0.293 15 S C -0.014 174.538 174.600 -0.080 0.000 1.141 15 S CA -0.518 57.653 58.200 -0.048 0.000 1.080 15 S CB 1.373 64.537 63.200 -0.060 0.000 0.978 15 S HN 0.308 nan 8.310 nan 0.000 0.479 16 V N 5.754 125.603 119.914 -0.108 0.000 2.383 16 V HA 0.405 4.525 4.120 -0.000 0.000 0.275 16 V C -0.097 175.908 176.094 -0.149 0.000 1.036 16 V CA -0.363 61.798 62.300 -0.232 0.000 0.889 16 V CB 0.512 32.225 31.823 -0.184 0.000 0.985 16 V HN 0.747 nan 8.190 nan 0.000 0.459 17 I N 3.833 124.320 120.570 -0.139 0.000 2.406 17 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 17 I C -0.125 175.988 176.117 -0.008 0.000 0.999 17 I CA -0.518 60.757 61.300 -0.042 0.000 1.124 17 I CB 1.832 39.825 38.000 -0.011 0.000 1.289 17 I HN 0.519 nan 8.210 nan 0.000 0.441 18 D N 6.387 126.771 120.400 -0.025 0.000 2.344 18 D HA 0.026 4.666 4.640 -0.000 0.000 0.253 18 D C 1.239 177.385 176.300 -0.256 0.000 1.255 18 D CA -0.139 53.656 54.000 -0.341 0.000 0.894 18 D CB 1.518 42.218 40.800 -0.167 0.000 1.067 18 D HN 0.463 nan 8.370 nan 0.000 0.492 19 V N 2.540 122.260 119.914 -0.324 0.000 2.568 19 V HA -0.209 3.911 4.120 -0.000 0.000 0.253 19 V C 1.858 177.918 176.094 -0.056 0.000 1.072 19 V CA 1.864 64.096 62.300 -0.114 0.000 1.084 19 V CB -1.030 30.682 31.823 -0.185 0.000 0.676 19 V HN 0.469 nan 8.190 nan 0.000 0.469 20 T N 2.000 116.462 114.554 -0.153 0.000 2.643 20 T HA -0.139 4.211 4.350 -0.000 0.000 0.264 20 T C 1.950 176.615 174.700 -0.058 0.000 1.045 20 T CA 2.491 64.533 62.100 -0.097 0.000 1.155 20 T CB -0.494 68.301 68.868 -0.121 0.000 0.863 20 T HN 0.880 nan 8.240 nan 0.000 0.420 21 S N 0.614 116.273 115.700 -0.067 0.000 2.575 21 S HA 0.090 4.560 4.470 -0.000 0.000 0.215 21 S C 0.647 175.230 174.600 -0.028 0.000 0.966 21 S CA -0.142 58.032 58.200 -0.043 0.000 0.911 21 S CB -0.188 62.986 63.200 -0.044 0.000 0.780 21 S HN 0.431 nan 8.310 nan 0.000 0.514 22 N N 1.403 120.100 118.700 -0.006 0.000 2.735 22 N HA -0.123 4.617 4.740 -0.000 0.000 0.248 22 N C -1.008 174.503 175.510 0.002 0.000 1.083 22 N CA 1.000 54.069 53.050 0.032 0.000 0.703 22 N CB -1.263 37.222 38.487 -0.004 0.000 1.005 22 N HN 0.664 nan 8.380 nan 0.000 0.550 23 K N -0.030 120.357 120.400 -0.022 0.000 2.259 23 K HA 0.518 4.837 4.320 -0.000 0.000 0.252 23 K C 0.031 176.595 176.600 -0.061 0.000 0.936 23 K CA -0.804 55.456 56.287 -0.045 0.000 0.810 23 K CB 2.284 34.746 32.500 -0.064 0.000 1.143 23 K HN -0.184 nan 8.250 nan 0.000 0.427 24 V N 2.864 122.734 119.914 -0.072 0.000 2.439 24 V HA -0.023 4.097 4.120 -0.000 0.000 0.271 24 V C 1.440 177.436 176.094 -0.163 0.000 1.040 24 V CA 0.283 62.525 62.300 -0.095 0.000 1.002 24 V CB 0.476 32.251 31.823 -0.080 0.000 1.000 24 V HN 1.023 nan 8.190 nan 0.000 0.477 25 T N 1.401 115.807 114.554 -0.246 0.000 3.037 25 T HA 0.562 4.912 4.350 -0.000 0.000 0.251 25 T C 0.447 174.883 174.700 -0.440 0.000 1.079 25 T CA 0.507 62.300 62.100 -0.511 0.000 1.067 25 T CB 0.423 68.677 68.868 -1.022 0.000 0.948 25 T HN 1.006 nan 8.240 nan 0.000 0.496 26 A N 0.189 122.881 122.820 -0.212 0.000 2.597 26 A HA 0.630 4.950 4.320 -0.000 0.000 0.292 26 A C -0.983 176.572 177.584 -0.049 0.000 1.057 26 A CA -0.825 51.168 52.037 -0.074 0.000 0.674 26 A CB 1.127 20.164 19.000 0.061 0.000 1.278 26 A HN 0.115 nan 8.150 nan 0.000 0.416 27 T N 1.721 116.259 114.554 -0.027 0.000 2.847 27 T HA 0.569 4.919 4.350 -0.000 0.000 0.291 27 T C -0.711 173.985 174.700 -0.007 0.000 0.998 27 T CA 0.054 62.141 62.100 -0.022 0.000 0.967 27 T CB 0.261 69.108 68.868 -0.034 0.000 0.954 27 T HN 0.455 nan 8.240 nan 0.000 0.441 28 I N 5.458 126.032 120.570 0.007 0.000 2.355 28 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 28 I C -2.292 173.825 176.117 0.001 0.000 0.999 28 I CA -2.756 58.550 61.300 0.009 0.000 1.163 28 I CB 1.691 39.707 38.000 0.026 0.000 1.316 28 I HN 0.270 nan 8.210 nan 0.000 0.454 29 P HA 0.077 nan 4.420 nan 0.000 0.267 29 P C -0.114 177.180 177.300 -0.009 0.000 1.205 29 P CA 0.036 63.130 63.100 -0.010 0.000 0.765 29 P CB 0.989 32.682 31.700 -0.012 0.000 0.828 30 V N 1.462 121.371 119.914 -0.007 0.000 4.665 30 V HA 0.871 4.991 4.120 -0.000 0.000 0.293 30 V C 0.703 176.795 176.094 -0.003 0.000 1.444 30 V CA -0.169 62.127 62.300 -0.007 0.000 0.868 30 V CB 0.190 32.011 31.823 -0.003 0.000 1.311 30 V HN 0.545 nan 8.190 nan 0.000 0.455 31 G N -0.048 108.752 108.800 0.001 0.000 2.531 31 G HA2 0.478 4.438 3.960 -0.000 0.000 0.253 31 G HA3 0.478 4.438 3.960 -0.000 0.000 0.253 31 G C -0.279 174.625 174.900 0.005 0.000 1.439 31 G CA -0.170 44.934 45.100 0.006 0.000 1.056 31 G HN 0.836 nan 8.290 nan 0.000 0.555 32 S N 0.151 115.862 115.700 0.018 0.000 2.452 32 S HA 0.317 4.787 4.470 -0.000 0.000 0.284 32 S C -0.079 174.505 174.600 -0.026 0.000 1.171 32 S CA -0.279 57.932 58.200 0.019 0.000 1.064 32 S CB 0.736 63.981 63.200 0.075 0.000 0.967 32 S HN 0.557 nan 8.310 nan 0.000 0.484 33 N N 1.602 120.244 118.700 -0.098 0.000 2.708 33 N HA -0.113 4.627 4.740 -0.000 0.000 0.255 33 N C -2.600 172.839 175.510 -0.119 0.000 1.046 33 N CA 0.423 53.354 53.050 -0.199 0.000 0.715 33 N CB -0.939 37.215 38.487 -0.555 0.000 0.895 33 N HN 0.397 nan 8.380 nan 0.000 0.545 37 A N -0.645 122.269 122.820 0.157 0.000 2.539 37 A HA 0.975 5.295 4.320 -0.000 0.000 0.296 37 A C -1.313 176.407 177.584 0.226 0.000 1.073 37 A CA -0.642 51.495 52.037 0.167 0.000 0.700 37 A CB 2.214 21.303 19.000 0.149 0.000 1.296 37 A HN 2.162 nan 8.150 nan 0.000 0.405 38 V N 2.525 122.555 119.914 0.194 0.000 2.932 38 V HA 0.656 4.776 4.120 -0.000 0.000 0.307 38 V C -1.289 174.899 176.094 0.156 0.000 1.147 38 V CA -0.572 61.843 62.300 0.191 0.000 0.951 38 V CB 1.765 33.692 31.823 0.172 0.000 1.031 38 V HN 1.001 nan 8.190 nan 0.000 0.426 39 I N 5.295 125.934 120.570 0.114 0.000 2.437 39 I HA 0.573 4.742 4.170 -0.000 0.000 0.298 39 I C 0.759 176.938 176.117 0.104 0.000 0.984 39 I CA -0.027 61.303 61.300 0.051 0.000 1.214 39 I CB 2.036 40.057 38.000 0.035 0.000 1.365 39 I HN 0.929 nan 8.210 nan 0.000 0.469 40 S N 6.266 122.039 115.700 0.122 0.000 2.576 40 S HA 0.219 4.689 4.470 -0.000 0.000 0.272 40 S C -1.869 172.778 174.600 0.079 0.000 1.352 40 S CA -0.741 57.539 58.200 0.133 0.000 1.021 40 S CB 0.561 63.854 63.200 0.156 0.000 0.887 40 S HN 0.537 nan 8.310 nan 0.000 0.542 41 P HA -0.120 nan 4.420 nan 0.000 0.216 41 P C 0.775 178.103 177.300 0.047 0.000 1.150 41 P CA 1.539 64.670 63.100 0.052 0.000 0.837 41 P CB -0.161 31.567 31.700 0.047 0.000 0.786 42 D N -1.985 118.442 120.400 0.046 0.000 2.349 42 D HA 0.075 4.715 4.640 -0.000 0.000 0.224 42 D C 1.389 177.712 176.300 0.039 0.000 1.029 42 D CA 0.613 54.636 54.000 0.038 0.000 0.879 42 D CB -1.149 39.670 40.800 0.032 0.000 0.906 42 D HN 0.194 nan 8.370 nan 0.000 0.528 43 G N 0.141 108.967 108.800 0.043 0.000 2.155 43 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.257 43 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.257 43 G C 1.148 176.053 174.900 0.008 0.000 0.983 43 G CA 1.235 46.361 45.100 0.042 0.000 0.676 43 G HN 0.594 nan 8.290 nan 0.000 0.528 44 T N -3.152 111.398 114.554 -0.006 0.000 2.978 44 T HA 0.355 4.705 4.350 -0.000 0.000 0.262 44 T C 0.988 175.629 174.700 -0.098 0.000 1.063 44 T CA 1.281 63.359 62.100 -0.037 0.000 1.140 44 T CB 0.498 69.353 68.868 -0.020 0.000 0.886 44 T HN 0.334 nan 8.240 nan 0.000 0.470 45 K N 0.699 121.028 120.400 -0.118 0.000 2.435 45 K HA 0.738 5.058 4.320 -0.000 0.000 0.251 45 K C -1.541 174.839 176.600 -0.367 0.000 0.954 45 K CA -0.775 55.345 56.287 -0.280 0.000 0.820 45 K CB 2.990 35.300 32.500 -0.318 0.000 1.292 45 K HN -0.002 nan 8.250 nan 0.000 0.436 46 V N 2.391 121.961 119.914 -0.574 0.000 2.588 46 V HA 0.410 4.530 4.120 -0.000 0.000 0.304 46 V C -1.437 174.306 176.094 -0.584 0.000 1.042 46 V CA -0.884 61.123 62.300 -0.488 0.000 0.877 46 V CB 1.367 32.811 31.823 -0.633 0.000 0.996 46 V HN 0.568 nan 8.190 nan 0.000 0.425 47 Y N 2.934 123.186 120.300 -0.080 0.000 2.377 47 Y HA 0.720 5.269 4.550 -0.000 0.000 0.339 47 Y C -0.023 175.869 175.900 -0.014 0.000 1.011 47 Y CA -0.975 57.100 58.100 -0.042 0.000 1.093 47 Y CB 2.061 40.504 38.460 -0.029 0.000 1.201 47 Y HN 0.340 nan 8.280 nan 0.000 0.455 48 V N 2.552 122.527 119.914 0.101 0.000 2.487 48 V HA 0.667 4.787 4.120 -0.000 0.000 0.298 48 V C -0.245 175.891 176.094 0.070 0.000 1.028 48 V CA -1.234 61.109 62.300 0.072 0.000 0.860 48 V CB 1.487 33.328 31.823 0.029 0.000 0.991 48 V HN 0.897 nan 8.190 nan 0.000 0.427 49 A N 4.336 127.196 122.820 0.066 0.000 2.343 49 A HA 0.449 4.769 4.320 -0.000 0.000 0.305 49 A C 0.229 177.829 177.584 0.027 0.000 1.308 49 A CA -0.363 51.703 52.037 0.049 0.000 0.949 49 A CB -0.298 18.730 19.000 0.048 0.000 1.148 49 A HN 0.779 nan 8.150 nan 0.000 0.545 50 N N 2.837 121.552 118.700 0.025 0.000 2.521 50 N HA 0.267 5.007 4.740 -0.000 0.000 0.236 50 N C 1.147 176.672 175.510 0.025 0.000 1.067 50 N CA 0.478 53.537 53.050 0.015 0.000 0.939 50 N CB 1.652 40.152 38.487 0.020 0.000 1.201 50 N HN 0.698 nan 8.380 nan 0.000 0.511 51 A N 1.852 124.675 122.820 0.006 0.000 1.940 51 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 51 A C 1.441 179.136 177.584 0.184 0.000 1.176 51 A CA 1.296 53.362 52.037 0.049 0.000 0.631 51 A CB -0.417 18.576 19.000 -0.012 0.000 0.814 51 A HN 0.718 nan 8.150 nan 0.000 0.446 52 H N -1.116 117.942 119.070 -0.021 0.000 2.592 52 H HA 0.083 4.639 4.556 -0.000 0.000 0.265 52 H C 1.238 176.558 175.328 -0.013 0.000 0.955 52 H CA 0.483 56.519 56.048 -0.019 0.000 1.175 52 H CB 0.365 30.115 29.762 -0.019 0.000 1.433 52 H HN 0.639 nan 8.280 nan 0.000 0.537 53 S N 0.171 115.935 115.700 0.107 0.000 2.601 53 S HA 0.016 4.486 4.470 -0.000 0.000 0.244 53 S C 0.214 174.835 174.600 0.035 0.000 1.001 53 S CA -0.630 57.602 58.200 0.053 0.000 0.984 53 S CB -0.121 63.103 63.200 0.041 0.000 0.842 53 S HN 0.244 nan 8.310 nan 0.000 0.474 54 N N 3.397 122.120 118.700 0.039 0.000 2.702 54 N HA -0.160 4.580 4.740 -0.000 0.000 0.261 54 N C -0.748 174.775 175.510 0.021 0.000 0.965 54 N CA 1.958 55.024 53.050 0.026 0.000 0.795 54 N CB -1.261 37.234 38.487 0.013 0.000 0.909 54 N HN 0.957 nan 8.380 nan 0.000 0.546 55 D N -3.587 116.828 120.400 0.025 0.000 2.692 55 D HA 0.591 5.231 4.640 -0.000 0.000 0.303 55 D C -0.802 175.516 176.300 0.030 0.000 1.278 55 D CA -0.718 53.295 54.000 0.023 0.000 0.852 55 D CB 0.953 41.764 40.800 0.018 0.000 1.375 55 D HN -0.159 nan 8.370 nan 0.000 0.453 56 V N 0.372 120.307 119.914 0.036 0.000 2.487 56 V HA 0.605 4.725 4.120 -0.000 0.000 0.298 56 V C -0.352 175.771 176.094 0.049 0.000 1.028 56 V CA -0.685 61.649 62.300 0.056 0.000 0.860 56 V CB 1.610 33.484 31.823 0.084 0.000 0.991 56 V HN 0.655 nan 8.190 nan 0.000 0.427 57 S N 5.443 121.162 115.700 0.033 0.000 2.554 57 S HA 0.662 5.132 4.470 -0.000 0.000 0.278 57 S C -0.302 174.272 174.600 -0.044 0.000 1.242 57 S CA -0.370 57.828 58.200 -0.005 0.000 1.051 57 S CB 0.956 64.146 63.200 -0.017 0.000 0.986 57 S HN 0.524 nan 8.310 nan 0.000 0.502 58 I N 3.339 123.854 120.570 -0.092 0.000 2.389 58 I HA 0.424 4.594 4.170 -0.000 0.000 0.288 58 I C -0.667 175.311 176.117 -0.231 0.000 0.999 58 I CA -0.348 60.811 61.300 -0.235 0.000 1.129 58 I CB 1.054 38.956 38.000 -0.164 0.000 1.288 58 I HN 0.418 nan 8.210 nan 0.000 0.444 59 I N 4.976 125.357 120.570 -0.314 0.000 2.460 59 I HA 0.236 4.406 4.170 -0.000 0.000 0.298 59 I C -0.254 175.708 176.117 -0.259 0.000 0.989 59 I CA -0.560 60.598 61.300 -0.236 0.000 1.173 59 I CB 1.827 39.700 38.000 -0.211 0.000 1.338 59 I HN 0.494 nan 8.210 nan 0.000 0.456 60 D N 4.118 124.413 120.400 -0.176 0.000 2.347 60 D HA 0.058 4.697 4.640 -0.000 0.000 0.235 60 D C 1.238 177.456 176.300 -0.136 0.000 1.149 60 D CA -0.271 53.639 54.000 -0.150 0.000 0.850 60 D CB 1.380 42.115 40.800 -0.109 0.000 1.061 60 D HN 0.692 nan 8.370 nan 0.000 0.487 61 T N 1.121 115.586 114.554 -0.148 0.000 3.025 61 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 61 T C 1.593 176.234 174.700 -0.098 0.000 1.126 61 T CA 0.919 62.958 62.100 -0.103 0.000 1.105 61 T CB 0.022 68.843 68.868 -0.079 0.000 0.884 61 T HN 0.300 nan 8.240 nan 0.000 0.522 62 A N 1.606 124.365 122.820 -0.102 0.000 2.072 62 A HA 0.186 4.506 4.320 -0.000 0.000 0.216 62 A C 2.420 179.918 177.584 -0.143 0.000 1.156 62 A CA 1.270 53.238 52.037 -0.115 0.000 0.701 62 A CB -0.423 18.526 19.000 -0.085 0.000 0.816 62 A HN 0.701 nan 8.150 nan 0.000 0.458 63 T N -5.749 108.731 114.554 -0.123 0.000 3.058 63 T HA 0.147 4.497 4.350 -0.000 0.000 0.278 63 T C 0.406 175.045 174.700 -0.101 0.000 0.974 63 T CA 0.353 62.381 62.100 -0.121 0.000 0.893 63 T CB -0.113 68.700 68.868 -0.092 0.000 1.138 63 T HN 0.267 nan 8.240 nan 0.000 0.529 64 N N 1.768 120.419 118.700 -0.082 0.000 2.714 64 N HA -0.144 4.596 4.740 -0.000 0.000 0.250 64 N C -1.008 174.478 175.510 -0.040 0.000 1.117 64 N CA 0.692 53.722 53.050 -0.033 0.000 0.719 64 N CB -1.976 36.513 38.487 0.003 0.000 1.081 64 N HN 0.734 nan 8.380 nan 0.000 0.557 65 N N -0.636 118.028 118.700 -0.061 0.000 2.399 65 N HA 0.378 5.118 4.740 -0.000 0.000 0.295 65 N C -0.242 175.227 175.510 -0.068 0.000 1.048 65 N CA -0.674 52.341 53.050 -0.057 0.000 0.886 65 N CB 1.677 40.129 38.487 -0.058 0.000 1.185 65 N HN -0.178 nan 8.380 nan 0.000 0.487 66 V N 4.057 123.937 119.914 -0.057 0.000 2.397 66 V HA 0.033 4.153 4.120 -0.000 0.000 0.262 66 V C 1.401 177.460 176.094 -0.057 0.000 1.047 66 V CA 0.068 62.330 62.300 -0.063 0.000 1.003 66 V CB -0.412 31.383 31.823 -0.046 0.000 1.037 66 V HN 0.683 nan 8.190 nan 0.000 0.480 67 I N 2.104 122.632 120.570 -0.070 0.000 3.728 67 I HA 0.665 4.834 4.170 -0.000 0.000 0.307 67 I C 0.725 176.816 176.117 -0.042 0.000 1.276 67 I CA 0.438 61.704 61.300 -0.056 0.000 1.285 67 I CB 0.243 38.205 38.000 -0.063 0.000 1.038 67 I HN 0.548 nan 8.210 nan 0.000 0.445 68 A N 0.154 122.949 122.820 -0.042 0.000 2.590 68 A HA 0.689 5.009 4.320 -0.000 0.000 0.294 68 A C -0.722 176.852 177.584 -0.016 0.000 1.046 68 A CA -0.423 51.600 52.037 -0.023 0.000 0.684 68 A CB 1.063 20.055 19.000 -0.014 0.000 1.279 68 A HN 0.071 nan 8.150 nan 0.000 0.415 69 T N 1.494 116.045 114.554 -0.005 0.000 2.930 69 T HA 0.520 4.870 4.350 -0.000 0.000 0.313 69 T C -0.820 173.886 174.700 0.010 0.000 1.019 69 T CA -0.274 61.828 62.100 0.004 0.000 1.004 69 T CB 0.970 69.838 68.868 -0.000 0.000 0.987 69 T HN 0.766 nan 8.240 nan 0.000 0.456 70 V N 6.735 126.661 119.914 0.021 0.000 2.439 70 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 70 V C -1.932 174.170 176.094 0.014 0.000 1.039 70 V CA -2.228 60.082 62.300 0.017 0.000 0.913 70 V CB 1.163 33.000 31.823 0.023 0.000 0.983 70 V HN 0.634 nan 8.190 nan 0.000 0.460 71 P HA 0.303 nan 4.420 nan 0.000 0.271 71 P C -0.314 176.989 177.300 0.004 0.000 1.220 71 P CA 0.192 63.295 63.100 0.006 0.000 0.768 71 P CB 1.721 33.422 31.700 0.002 0.000 0.848 72 A N 4.005 126.830 122.820 0.008 0.000 3.533 72 A HA 0.823 5.143 4.320 -0.000 0.000 0.189 72 A C 0.705 178.293 177.584 0.006 0.000 1.339 72 A CA 0.255 52.295 52.037 0.006 0.000 1.552 72 A CB -0.205 18.802 19.000 0.012 0.000 1.591 72 A HN 0.527 nan 8.150 nan 0.000 0.603 73 G N -1.050 107.755 108.800 0.009 0.000 2.890 73 G HA2 0.455 4.415 3.960 -0.000 0.000 0.189 73 G HA3 0.455 4.415 3.960 -0.000 0.000 0.189 73 G C -0.343 174.561 174.900 0.007 0.000 1.342 73 G CA 0.427 45.531 45.100 0.007 0.000 1.026 73 G HN 0.819 nan 8.290 nan 0.000 0.579 74 S N -0.560 115.142 115.700 0.005 0.000 2.411 74 S HA 0.423 4.893 4.470 -0.000 0.000 0.294 74 S C 0.483 175.088 174.600 0.008 0.000 1.115 74 S CA 0.753 58.955 58.200 0.003 0.000 1.071 74 S CB 0.004 63.201 63.200 -0.005 0.000 0.967 74 S HN 1.562 nan 8.310 nan 0.000 0.488 75 S N 4.746 120.458 115.700 0.019 0.000 3.866 75 S HA -0.068 4.402 4.470 -0.000 0.000 0.427 75 S C -2.490 172.124 174.600 0.023 0.000 0.891 75 S CA -0.210 58.009 58.200 0.032 0.000 1.275 75 S CB -0.789 62.426 63.200 0.024 0.000 0.872 75 S HN 0.703 nan 8.310 nan 0.000 0.562 76 P HA 0.151 nan 4.420 nan 0.000 0.267 76 P C 0.409 177.719 177.300 0.016 0.000 1.205 76 P CA 0.033 63.146 63.100 0.022 0.000 0.765 76 P CB 0.822 32.538 31.700 0.027 0.000 0.828 77 Q N 1.755 121.564 119.800 0.016 0.000 2.548 77 Q HA 0.242 4.582 4.340 -0.000 0.000 0.230 77 Q C 1.104 177.124 176.000 0.032 0.000 0.899 77 Q CA 0.846 56.653 55.803 0.007 0.000 0.936 77 Q CB 0.374 29.108 28.738 -0.005 0.000 1.114 77 Q HN 0.621 nan 8.270 nan 0.000 0.606 78 G N 0.606 109.435 108.800 0.048 0.000 2.533 78 G HA2 0.586 4.546 3.960 -0.000 0.000 0.304 78 G HA3 0.586 4.546 3.960 -0.000 0.000 0.304 78 G C -1.045 173.903 174.900 0.079 0.000 1.263 78 G CA -0.428 44.715 45.100 0.072 0.000 0.964 78 G HN 0.005 nan 8.290 nan 0.000 0.479 79 V N -2.296 117.675 119.914 0.095 0.000 2.925 79 V HA 0.977 5.096 4.120 -0.000 0.000 0.311 79 V C -0.119 176.035 176.094 0.100 0.000 1.104 79 V CA -0.970 61.383 62.300 0.088 0.000 0.954 79 V CB 1.199 33.076 31.823 0.090 0.000 1.022 79 V HN 1.759 nan 8.190 nan 0.000 0.427 80 A N 2.371 125.250 122.820 0.099 0.000 2.515 80 A HA 0.922 5.242 4.320 -0.000 0.000 0.298 80 A C -1.113 176.533 177.584 0.104 0.000 1.059 80 A CA -0.695 51.413 52.037 0.119 0.000 0.698 80 A CB 2.147 21.233 19.000 0.142 0.000 1.289 80 A HN 1.371 nan 8.150 nan 0.000 0.404 81 V N 1.888 121.846 119.914 0.073 0.000 2.513 81 V HA 0.569 4.689 4.120 -0.000 0.000 0.299 81 V C 0.866 177.019 176.094 0.099 0.000 1.035 81 V CA -0.242 62.063 62.300 0.008 0.000 0.889 81 V CB 1.649 33.463 31.823 -0.015 0.000 0.988 81 V HN 1.193 nan 8.190 nan 0.000 0.440 82 S N 4.400 120.167 115.700 0.112 0.000 2.576 82 S HA 0.174 4.643 4.470 -0.000 0.000 0.272 82 S C -1.694 172.952 174.600 0.078 0.000 1.352 82 S CA -0.561 57.731 58.200 0.155 0.000 1.021 82 S CB 0.509 63.792 63.200 0.138 0.000 0.887 82 S HN 0.584 nan 8.310 nan 0.000 0.542 83 P HA -0.129 nan 4.420 nan 0.000 0.216 83 P C 0.728 178.052 177.300 0.040 0.000 1.150 83 P CA 1.601 64.732 63.100 0.050 0.000 0.843 83 P CB -0.130 31.597 31.700 0.045 0.000 0.787 84 D N -2.532 117.889 120.400 0.035 0.000 2.339 84 D HA 0.112 4.752 4.640 -0.000 0.000 0.217 84 D C 1.389 177.701 176.300 0.019 0.000 1.050 84 D CA 0.484 54.499 54.000 0.025 0.000 0.856 84 D CB -0.976 39.836 40.800 0.020 0.000 0.922 84 D HN 0.185 nan 8.370 nan 0.000 0.518 85 G N 0.951 109.762 108.800 0.017 0.000 2.168 85 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.263 85 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.263 85 G C 1.207 176.093 174.900 -0.022 0.000 0.977 85 G CA 0.623 45.728 45.100 0.008 0.000 0.659 85 G HN 0.368 nan 8.290 nan 0.000 0.533 86 K N -0.237 120.144 120.400 -0.033 0.000 2.167 86 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 86 K C 1.176 177.704 176.600 -0.120 0.000 1.052 86 K CA 0.952 57.209 56.287 -0.052 0.000 0.956 86 K CB 0.176 32.657 32.500 -0.030 0.000 0.735 86 K HN 0.647 nan 8.250 nan 0.000 0.451 87 Q N 0.595 120.286 119.800 -0.182 0.000 2.356 87 Q HA 0.411 4.751 4.340 -0.000 0.000 0.270 87 Q C -1.212 174.432 176.000 -0.593 0.000 1.058 87 Q CA -0.595 54.980 55.803 -0.381 0.000 0.802 87 Q CB 3.032 31.517 28.738 -0.422 0.000 1.303 87 Q HN -0.209 nan 8.270 nan 0.000 0.444 88 V N 2.638 122.136 119.914 -0.693 0.000 2.555 88 V HA 0.436 4.556 4.120 -0.000 0.000 0.302 88 V C -1.260 174.411 176.094 -0.706 0.000 1.038 88 V CA -0.693 61.201 62.300 -0.677 0.000 0.887 88 V CB 0.969 32.339 31.823 -0.755 0.000 0.991 88 V HN 0.615 nan 8.190 nan 0.000 0.434 89 Y N 2.924 123.145 120.300 -0.131 0.000 2.360 89 Y HA 0.727 5.277 4.550 -0.000 0.000 0.337 89 Y C -0.044 175.826 175.900 -0.052 0.000 1.039 89 Y CA -0.995 57.060 58.100 -0.074 0.000 1.109 89 Y CB 1.949 40.379 38.460 -0.051 0.000 1.201 89 Y HN 0.324 nan 8.280 nan 0.000 0.458 90 V N 1.932 121.901 119.914 0.092 0.000 2.577 90 V HA 0.364 4.484 4.120 -0.000 0.000 0.303 90 V C -0.448 175.681 176.094 0.058 0.000 1.042 90 V CA -1.175 61.160 62.300 0.058 0.000 0.872 90 V CB 1.923 33.760 31.823 0.024 0.000 0.998 90 V HN 0.863 nan 8.190 nan 0.000 0.423 91 T N 1.783 116.369 114.554 0.053 0.000 2.761 91 T HA 0.465 4.815 4.350 -0.000 0.000 0.296 91 T C -0.125 174.592 174.700 0.027 0.000 0.934 91 T CA -0.645 61.479 62.100 0.039 0.000 1.091 91 T CB 0.553 69.443 68.868 0.037 0.000 0.896 91 T HN 0.577 nan 8.240 nan 0.000 0.515 95 S N -0.079 115.620 115.700 -0.002 0.000 2.548 95 S HA 0.324 4.793 4.470 -0.000 0.000 0.215 95 S C 0.710 175.310 174.600 0.000 0.000 0.976 95 S CA 1.078 59.277 58.200 -0.002 0.000 0.908 95 S CB -0.221 62.979 63.200 -0.001 0.000 0.781 95 S HN 1.350 nan 8.310 nan 0.000 0.519 96 S N 1.475 117.176 115.700 0.002 0.000 3.706 96 S HA -0.115 4.355 4.470 -0.000 0.000 0.363 96 S C 0.224 174.827 174.600 0.005 0.000 0.999 96 S CA 0.851 59.053 58.200 0.003 0.000 1.143 96 S CB -2.313 60.888 63.200 0.002 0.000 0.902 96 S HN 1.193 nan 8.310 nan 0.000 0.476 97 T N -1.715 112.843 114.554 0.007 0.000 2.865 97 T HA 0.802 5.152 4.350 -0.000 0.000 0.294 97 T C -0.865 173.845 174.700 0.017 0.000 1.119 97 T CA -1.073 61.032 62.100 0.010 0.000 1.007 97 T CB 2.040 70.912 68.868 0.008 0.000 1.225 97 T HN 0.310 nan 8.240 nan 0.000 0.515 98 L N 1.104 122.340 121.223 0.023 0.000 2.356 98 L HA 0.730 5.070 4.340 -0.000 0.000 0.277 98 L C -0.542 176.354 176.870 0.043 0.000 0.996 98 L CA -0.210 54.655 54.840 0.040 0.000 0.822 98 L CB 2.149 44.238 42.059 0.049 0.000 1.256 98 L HN 0.866 nan 8.230 nan 0.000 0.413 99 S N 3.257 118.980 115.700 0.038 0.000 2.508 99 S HA 0.646 5.116 4.470 -0.000 0.000 0.284 99 S C -0.625 173.976 174.600 0.002 0.000 1.192 99 S CA -0.562 57.647 58.200 0.015 0.000 1.070 99 S CB 1.607 64.806 63.200 -0.001 0.000 1.004 99 S HN 0.407 nan 8.310 nan 0.000 0.493 100 V N 4.633 124.530 119.914 -0.029 0.000 2.398 100 V HA 0.476 4.596 4.120 -0.000 0.000 0.286 100 V C -0.313 175.685 176.094 -0.161 0.000 1.026 100 V CA -0.512 61.713 62.300 -0.125 0.000 0.868 100 V CB 1.130 32.916 31.823 -0.061 0.000 0.982 100 V HN 0.761 nan 8.190 nan 0.000 0.443 101 I N 3.850 124.268 120.570 -0.254 0.000 2.378 101 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 101 I C -0.083 175.908 176.117 -0.210 0.000 0.992 101 I CA -0.352 60.834 61.300 -0.189 0.000 1.154 101 I CB 1.734 39.635 38.000 -0.166 0.000 1.315 101 I HN 0.617 nan 8.210 nan 0.000 0.448 102 D N 5.248 125.571 120.400 -0.128 0.000 2.336 102 D HA 0.024 4.664 4.640 -0.000 0.000 0.249 102 D C 1.119 177.377 176.300 -0.070 0.000 1.213 102 D CA -0.122 53.816 54.000 -0.103 0.000 0.870 102 D CB 1.397 42.158 40.800 -0.065 0.000 1.076 102 D HN 0.705 nan 8.370 nan 0.000 0.483 103 T N 0.368 114.879 114.554 -0.072 0.000 3.118 103 T HA -0.067 4.283 4.350 -0.000 0.000 0.260 103 T C 1.539 176.247 174.700 0.013 0.000 1.139 103 T CA 0.629 62.728 62.100 -0.002 0.000 1.085 103 T CB 0.065 68.946 68.868 0.022 0.000 0.934 103 T HN 0.266 nan 8.240 nan 0.000 0.518 104 T N 2.083 116.632 114.554 -0.009 0.000 2.978 104 T HA 0.017 4.367 4.350 -0.000 0.000 0.262 104 T C 2.163 176.861 174.700 -0.004 0.000 1.063 104 T CA 1.288 63.385 62.100 -0.004 0.000 1.140 104 T CB -0.178 68.683 68.868 -0.010 0.000 0.886 104 T HN 0.715 nan 8.240 nan 0.000 0.470 105 S N 0.254 115.949 115.700 -0.008 0.000 2.526 105 S HA 0.151 4.621 4.470 -0.000 0.000 0.220 105 S C 0.545 175.143 174.600 -0.003 0.000 1.017 105 S CA -0.373 57.823 58.200 -0.008 0.000 0.930 105 S CB -0.028 63.164 63.200 -0.013 0.000 0.856 105 S HN 0.279 nan 8.310 nan 0.000 0.497 106 N N 2.508 121.209 118.700 0.002 0.000 2.725 106 N HA -0.116 4.624 4.740 -0.000 0.000 0.251 106 N C -0.385 175.126 175.510 0.002 0.000 1.031 106 N CA 1.562 54.621 53.050 0.015 0.000 0.720 106 N CB -1.799 36.702 38.487 0.024 0.000 0.930 106 N HN 0.937 nan 8.380 nan 0.000 0.543 107 T N -4.956 109.590 114.554 -0.013 0.000 2.864 107 T HA 0.602 4.952 4.350 -0.000 0.000 0.299 107 T C 0.096 174.777 174.700 -0.030 0.000 1.166 107 T CA -0.862 61.228 62.100 -0.016 0.000 1.007 107 T CB 2.084 70.943 68.868 -0.015 0.000 1.219 107 T HN -0.108 nan 8.240 nan 0.000 0.506 108 V N 1.592 121.490 119.914 -0.027 0.000 2.655 108 V HA 0.489 4.609 4.120 -0.000 0.000 0.300 108 V C 1.215 177.288 176.094 -0.034 0.000 1.044 108 V CA 0.508 62.788 62.300 -0.034 0.000 1.095 108 V CB 0.697 32.507 31.823 -0.022 0.000 0.952 108 V HN 1.235 nan 8.190 nan 0.000 0.485 109 A N 3.407 126.200 122.820 -0.045 0.000 2.545 109 A HA 0.739 5.059 4.320 -0.000 0.000 0.263 109 A C 0.690 178.259 177.584 -0.025 0.000 1.202 109 A CA 0.461 52.476 52.037 -0.037 0.000 0.959 109 A CB 0.295 19.265 19.000 -0.050 0.000 1.124 109 A HN 1.390 nan 8.150 nan 0.000 0.543 110 G N -1.628 107.160 108.800 -0.020 0.000 2.361 110 G HA2 0.460 4.420 3.960 -0.000 0.000 0.299 110 G HA3 0.460 4.420 3.960 -0.000 0.000 0.299 110 G C -1.222 173.679 174.900 0.002 0.000 1.544 110 G CA -0.119 44.978 45.100 -0.005 0.000 0.860 110 G HN 0.254 nan 8.290 nan 0.000 0.610 111 T N 0.269 114.827 114.554 0.007 0.000 2.937 111 T HA 0.603 4.953 4.350 -0.000 0.000 0.297 111 T C -0.586 174.122 174.700 0.012 0.000 0.991 111 T CA -0.454 61.652 62.100 0.011 0.000 0.990 111 T CB 1.778 70.649 68.868 0.004 0.000 0.991 111 T HN 0.756 nan 8.240 nan 0.000 0.440 112 V N 3.322 123.247 119.914 0.018 0.000 2.495 112 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 112 V C 0.089 176.187 176.094 0.006 0.000 1.031 112 V CA -1.095 61.211 62.300 0.010 0.000 0.871 112 V CB 1.824 33.654 31.823 0.011 0.000 0.988 112 V HN 0.667 nan 8.190 nan 0.000 0.432 113 K N 3.796 124.196 120.400 0.000 0.000 2.379 113 K HA 0.409 4.729 4.320 -0.000 0.000 0.284 113 K C 0.353 176.951 176.600 -0.004 0.000 1.044 113 K CA 0.210 56.496 56.287 -0.001 0.000 0.974 113 K CB 0.627 33.126 32.500 -0.003 0.000 0.962 113 K HN 0.995 nan 8.250 nan 0.000 0.474 114 T N 0.495 115.048 114.554 -0.002 0.000 2.819 114 T HA 0.691 5.041 4.350 -0.000 0.000 0.271 114 T C 0.728 175.427 174.700 -0.001 0.000 0.986 114 T CA -0.615 61.483 62.100 -0.003 0.000 0.989 114 T CB 0.937 69.806 68.868 0.001 0.000 1.396 114 T HN 0.456 nan 8.240 nan 0.000 0.597 115 G N -0.235 108.566 108.800 0.002 0.000 2.588 115 G HA2 0.446 4.406 3.960 -0.000 0.000 0.278 115 G HA3 0.446 4.406 3.960 -0.000 0.000 0.278 115 G C -0.424 174.480 174.900 0.006 0.000 1.307 115 G CA -0.764 44.339 45.100 0.004 0.000 1.016 115 G HN 0.784 nan 8.290 nan 0.000 0.503 116 K N 0.153 120.558 120.400 0.007 0.000 2.447 116 K HA 0.206 4.526 4.320 -0.000 0.000 0.281 116 K C 0.477 177.081 176.600 0.006 0.000 1.031 116 K CA 0.672 56.963 56.287 0.006 0.000 1.019 116 K CB -0.236 32.268 32.500 0.007 0.000 0.918 116 K HN 0.516 nan 8.250 nan 0.000 0.476 117 S N 4.026 119.728 115.700 0.003 0.000 3.477 117 S HA -0.105 4.365 4.470 -0.000 0.000 0.426 117 S C -2.431 172.172 174.600 0.005 0.000 0.874 117 S CA 0.215 58.416 58.200 0.001 0.000 1.341 117 S CB -1.553 61.645 63.200 -0.004 0.000 0.917 117 S HN 0.631 nan 8.310 nan 0.000 0.607 118 P HA 0.355 nan 4.420 nan 0.000 0.269 118 P C 0.555 177.864 177.300 0.013 0.000 1.209 118 P CA -0.362 62.747 63.100 0.014 0.000 0.776 118 P CB 0.891 32.600 31.700 0.016 0.000 0.876 119 L N 2.596 123.831 121.223 0.020 0.000 2.865 119 L HA 0.516 4.856 4.340 -0.000 0.000 0.167 119 L C 0.868 177.761 176.870 0.037 0.000 1.135 119 L CA 1.145 55.996 54.840 0.018 0.000 0.895 119 L CB -0.571 41.491 42.059 0.006 0.000 1.643 119 L HN 0.452 nan 8.230 nan 0.000 0.518 120 G N 0.990 109.819 108.800 0.048 0.000 2.476 120 G HA2 0.574 4.534 3.960 -0.000 0.000 0.286 120 G HA3 0.574 4.534 3.960 -0.000 0.000 0.286 120 G C -1.323 173.618 174.900 0.068 0.000 1.177 120 G CA 0.051 45.190 45.100 0.066 0.000 0.870 120 G HN 0.635 nan 8.290 nan 0.000 0.528 121 L N -1.495 119.775 121.223 0.077 0.000 2.545 121 L HA 0.900 5.240 4.340 -0.000 0.000 0.258 121 L C -0.773 176.147 176.870 0.084 0.000 0.942 121 L CA -1.213 53.671 54.840 0.073 0.000 0.855 121 L CB 1.898 43.992 42.059 0.058 0.000 1.374 121 L HN 0.898 nan 8.230 nan 0.000 0.411 122 A N 3.301 126.182 122.820 0.102 0.000 2.520 122 A HA 0.820 5.140 4.320 -0.000 0.000 0.298 122 A C -1.353 176.314 177.584 0.137 0.000 1.051 122 A CA -0.558 51.545 52.037 0.110 0.000 0.690 122 A CB 1.900 20.963 19.000 0.104 0.000 1.281 122 A HN 0.759 nan 8.150 nan 0.000 0.402 123 L N 1.956 123.232 121.223 0.089 0.000 2.325 123 L HA 0.496 4.836 4.340 -0.000 0.000 0.279 123 L C 1.047 177.988 176.870 0.119 0.000 1.054 123 L CA -0.594 54.284 54.840 0.064 0.000 0.804 123 L CB 1.992 44.060 42.059 0.016 0.000 1.200 123 L HN 0.917 nan 8.230 nan 0.000 0.436 124 S N 1.470 117.258 115.700 0.146 0.000 2.585 124 S HA 0.204 4.673 4.470 -0.000 0.000 0.273 124 S C -1.926 172.718 174.600 0.073 0.000 1.339 124 S CA -1.041 57.245 58.200 0.144 0.000 1.028 124 S CB 0.763 64.062 63.200 0.165 0.000 0.906 124 S HN 0.437 nan 8.310 nan 0.000 0.528 125 P HA -0.133 nan 4.420 nan 0.000 0.218 125 P C 0.747 178.070 177.300 0.038 0.000 1.146 125 P CA 1.437 64.563 63.100 0.043 0.000 0.813 125 P CB -0.111 31.610 31.700 0.035 0.000 0.778 126 D N -2.358 118.064 120.400 0.036 0.000 2.348 126 D HA 0.073 4.713 4.640 -0.000 0.000 0.211 126 D C 1.507 177.823 176.300 0.028 0.000 0.998 126 D CA 0.821 54.839 54.000 0.029 0.000 0.873 126 D CB -0.952 39.862 40.800 0.023 0.000 0.925 126 D HN 0.204 nan 8.370 nan 0.000 0.524 127 G N 0.755 109.571 108.800 0.027 0.000 2.179 127 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 127 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 127 G C 1.193 176.086 174.900 -0.011 0.000 0.977 127 G CA 0.470 45.582 45.100 0.021 0.000 0.641 127 G HN 0.326 nan 8.290 nan 0.000 0.533 128 K N 0.068 120.458 120.400 -0.017 0.000 2.296 128 K HA 0.095 4.415 4.320 -0.000 0.000 0.200 128 K C 1.038 177.579 176.600 -0.098 0.000 1.048 128 K CA 0.797 57.060 56.287 -0.039 0.000 0.966 128 K CB 0.182 32.668 32.500 -0.023 0.000 0.754 128 K HN 0.470 nan 8.250 nan 0.000 0.466 129 K N 0.885 121.213 120.400 -0.120 0.000 2.324 129 K HA 0.334 4.653 4.320 -0.000 0.000 0.253 129 K C -1.169 175.227 176.600 -0.339 0.000 0.932 129 K CA -0.878 55.254 56.287 -0.259 0.000 0.799 129 K CB 2.020 34.353 32.500 -0.279 0.000 1.154 129 K HN -0.188 nan 8.250 nan 0.000 0.425 130 L N 3.239 124.177 121.223 -0.476 0.000 2.333 130 L HA 0.431 4.771 4.340 -0.000 0.000 0.280 130 L C -1.690 174.900 176.870 -0.467 0.000 1.004 130 L CA -0.455 54.142 54.840 -0.405 0.000 0.820 130 L CB 0.784 42.560 42.059 -0.471 0.000 1.247 130 L HN 0.453 nan 8.230 nan 0.000 0.416 131 Y N 4.272 124.517 120.300 -0.092 0.000 2.331 131 Y HA 0.655 5.205 4.550 -0.000 0.000 0.338 131 Y C -0.221 175.657 175.900 -0.037 0.000 0.992 131 Y CA -0.773 57.295 58.100 -0.053 0.000 1.121 131 Y CB 1.808 40.247 38.460 -0.035 0.000 1.184 131 Y HN 0.272 nan 8.280 nan 0.000 0.469 132 V N 2.728 122.688 119.914 0.077 0.000 2.540 132 V HA 0.375 4.494 4.120 -0.000 0.000 0.302 132 V C -0.255 175.876 176.094 0.061 0.000 1.035 132 V CA -1.142 61.190 62.300 0.054 0.000 0.873 132 V CB 2.048 33.879 31.823 0.012 0.000 0.992 132 V HN 0.847 nan 8.190 nan 0.000 0.428 133 T N 1.044 115.636 114.554 0.062 0.000 2.832 133 T HA 0.309 4.659 4.350 -0.000 0.000 0.296 133 T C 0.011 174.735 174.700 0.040 0.000 0.968 133 T CA -0.655 61.478 62.100 0.056 0.000 1.107 133 T CB 0.321 69.226 68.868 0.061 0.000 0.916 133 T HN 0.524 nan 8.240 nan 0.000 0.517 134 N N 3.712 122.433 118.700 0.035 0.000 2.949 134 N HA 0.101 4.841 4.740 -0.000 0.000 0.243 134 N C 1.173 176.699 175.510 0.026 0.000 1.113 134 N CA -0.278 52.787 53.050 0.025 0.000 0.980 134 N CB 0.580 39.080 38.487 0.021 0.000 1.256 134 N HN 0.751 nan 8.380 nan 0.000 0.508 135 N N 1.427 120.140 118.700 0.023 0.000 2.247 135 N HA -0.165 4.575 4.740 -0.000 0.000 0.189 135 N C 1.127 176.649 175.510 0.020 0.000 1.009 135 N CA 1.160 54.223 53.050 0.021 0.000 0.872 135 N CB 0.230 38.718 38.487 0.001 0.000 0.980 135 N HN 0.453 nan 8.380 nan 0.000 0.436 136 G N -1.507 107.302 108.800 0.015 0.000 3.233 136 G HA2 0.037 3.997 3.960 -0.000 0.000 0.234 136 G HA3 0.037 3.997 3.960 -0.000 0.000 0.234 136 G C 0.574 175.485 174.900 0.017 0.000 1.137 136 G CA -0.146 44.962 45.100 0.015 0.000 0.763 136 G HN 0.214 nan 8.290 nan 0.000 0.549 137 D N 0.390 120.802 120.400 0.020 0.000 2.474 137 D HA 0.115 4.755 4.640 -0.000 0.000 0.213 137 D C 0.931 177.246 176.300 0.024 0.000 1.120 137 D CA -0.027 53.985 54.000 0.019 0.000 0.836 137 D CB 0.294 41.104 40.800 0.017 0.000 1.019 137 D HN 0.153 nan 8.370 nan 0.000 0.507 138 K N 0.275 120.694 120.400 0.030 0.000 3.160 138 K HA -0.155 4.165 4.320 -0.000 0.000 0.280 138 K C 0.034 176.653 176.600 0.031 0.000 1.154 138 K CA 1.084 57.392 56.287 0.034 0.000 0.822 138 K CB -2.159 30.359 32.500 0.031 0.000 1.239 138 K HN 0.381 nan 8.250 nan 0.000 0.489 139 T N -3.942 110.630 114.554 0.031 0.000 2.865 139 T HA 0.678 5.028 4.350 -0.000 0.000 0.294 139 T C -0.396 174.326 174.700 0.037 0.000 1.119 139 T CA -0.900 61.218 62.100 0.030 0.000 1.007 139 T CB 2.644 71.525 68.868 0.023 0.000 1.225 139 T HN -0.095 nan 8.240 nan 0.000 0.515 140 V N 1.696 121.635 119.914 0.042 0.000 2.487 140 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 140 V C -0.118 176.004 176.094 0.046 0.000 1.028 140 V CA -0.756 61.580 62.300 0.059 0.000 0.860 140 V CB 1.957 33.834 31.823 0.090 0.000 0.991 140 V HN 1.088 nan 8.190 nan 0.000 0.427 141 S N 3.566 119.283 115.700 0.027 0.000 2.457 141 S HA 0.535 5.005 4.470 -0.000 0.000 0.289 141 S C -0.235 174.331 174.600 -0.057 0.000 1.163 141 S CA -0.482 57.712 58.200 -0.011 0.000 1.078 141 S CB 1.512 64.699 63.200 -0.022 0.000 0.987 141 S HN 0.470 nan 8.310 nan 0.000 0.482 142 V N 5.335 125.188 119.914 -0.100 0.000 2.364 142 V HA 0.419 4.539 4.120 -0.000 0.000 0.272 142 V C -0.155 175.796 176.094 -0.238 0.000 1.036 142 V CA -0.376 61.766 62.300 -0.263 0.000 0.880 142 V CB 0.520 32.215 31.823 -0.212 0.000 0.991 142 V HN 0.755 nan 8.190 nan 0.000 0.460 143 I N 4.449 124.838 120.570 -0.301 0.000 2.433 143 I HA 0.363 4.533 4.170 -0.000 0.000 0.292 143 I C 0.143 176.124 176.117 -0.228 0.000 1.001 143 I CA -0.514 60.657 61.300 -0.215 0.000 1.119 143 I CB 1.779 39.671 38.000 -0.179 0.000 1.289 143 I HN 0.521 nan 8.210 nan 0.000 0.438 144 N N 4.326 122.936 118.700 -0.150 0.000 2.401 144 N HA 0.015 4.755 4.740 -0.000 0.000 0.255 144 N C 1.094 176.549 175.510 -0.092 0.000 1.110 144 N CA 0.063 53.044 53.050 -0.117 0.000 0.949 144 N CB 1.212 39.654 38.487 -0.075 0.000 1.110 144 N HN 0.765 nan 8.380 nan 0.000 0.490 145 T N 0.258 114.750 114.554 -0.103 0.000 2.962 145 T HA -0.065 4.285 4.350 -0.000 0.000 0.270 145 T C 1.742 176.457 174.700 0.026 0.000 1.088 145 T CA 0.763 62.839 62.100 -0.040 0.000 1.127 145 T CB -0.056 68.784 68.868 -0.047 0.000 0.883 145 T HN 0.183 nan 8.240 nan 0.000 0.493 146 V N 2.606 122.520 119.914 -0.000 0.000 2.407 146 V HA -0.046 4.074 4.120 -0.000 0.000 0.245 146 V C 3.073 179.170 176.094 0.004 0.000 1.041 146 V CA 1.974 64.279 62.300 0.009 0.000 1.040 146 V CB -0.645 31.178 31.823 -0.000 0.000 0.671 146 V HN 0.814 nan 8.190 nan 0.000 0.455 147 T N -3.564 110.986 114.554 -0.008 0.000 3.081 147 T HA 0.069 4.419 4.350 -0.000 0.000 0.250 147 T C 0.780 175.477 174.700 -0.006 0.000 1.100 147 T CA -0.070 62.025 62.100 -0.008 0.000 1.038 147 T CB -0.236 68.622 68.868 -0.016 0.000 0.962 147 T HN 0.467 nan 8.240 nan 0.000 0.516 148 K N 0.940 121.339 120.400 -0.002 0.000 3.148 148 K HA -0.088 4.232 4.320 -0.000 0.000 0.267 148 K C -0.149 176.445 176.600 -0.010 0.000 0.996 148 K CA 0.303 56.593 56.287 0.005 0.000 0.737 148 K CB -2.121 30.391 32.500 0.020 0.000 1.308 148 K HN 0.743 nan 8.250 nan 0.000 0.470 149 A N -0.340 122.464 122.820 -0.028 0.000 2.587 149 A HA 0.627 4.947 4.320 -0.000 0.000 0.293 149 A C -0.397 177.157 177.584 -0.050 0.000 1.087 149 A CA -0.749 51.270 52.037 -0.031 0.000 0.692 149 A CB 1.670 20.655 19.000 -0.025 0.000 1.291 149 A HN 0.038 nan 8.150 nan 0.000 0.407 150 V N 2.547 122.434 119.914 -0.044 0.000 2.427 150 V HA 0.177 4.297 4.120 -0.000 0.000 0.268 150 V C 1.174 177.238 176.094 -0.050 0.000 1.046 150 V CA 0.510 62.777 62.300 -0.054 0.000 0.970 150 V CB 0.319 32.118 31.823 -0.040 0.000 1.001 150 V HN 0.782 nan 8.190 nan 0.000 0.476 151 I N 0.823 121.354 120.570 -0.064 0.000 3.968 151 I HA 0.462 4.631 4.170 -0.000 0.000 0.328 151 I C 0.533 176.625 176.117 -0.041 0.000 1.290 151 I CA 0.344 61.614 61.300 -0.050 0.000 1.163 151 I CB 0.297 38.262 38.000 -0.058 0.000 1.024 151 I HN 0.601 nan 8.210 nan 0.000 0.413 152 N N 0.058 118.731 118.700 -0.044 0.000 2.815 152 N HA 0.329 5.069 4.740 -0.000 0.000 0.253 152 N C -1.597 173.903 175.510 -0.017 0.000 1.202 152 N CA -0.188 52.847 53.050 -0.024 0.000 0.925 152 N CB 2.203 40.680 38.487 -0.016 0.000 1.622 152 N HN -0.027 nan 8.380 nan 0.000 0.497 153 T N 1.122 115.674 114.554 -0.003 0.000 2.847 153 T HA 0.464 4.814 4.350 -0.000 0.000 0.291 153 T C -0.701 174.009 174.700 0.016 0.000 0.998 153 T CA -0.407 61.697 62.100 0.006 0.000 0.967 153 T CB 0.921 69.790 68.868 0.002 0.000 0.954 153 T HN 0.214 nan 8.240 nan 0.000 0.441 154 V N 3.105 123.036 119.914 0.029 0.000 2.439 154 V HA 0.407 4.527 4.120 -0.000 0.000 0.282 154 V C 0.480 176.589 176.094 0.025 0.000 1.039 154 V CA -0.786 61.531 62.300 0.029 0.000 0.913 154 V CB 1.678 33.528 31.823 0.044 0.000 0.983 154 V HN 0.919 nan 8.190 nan 0.000 0.460 155 S N 3.745 119.455 115.700 0.018 0.000 2.499 155 S HA 0.565 5.035 4.470 -0.000 0.000 0.275 155 S C 0.168 174.779 174.600 0.017 0.000 1.257 155 S CA -0.500 57.710 58.200 0.017 0.000 1.050 155 S CB 1.181 64.388 63.200 0.013 0.000 0.937 155 S HN 0.772 nan 8.310 nan 0.000 0.490 156 V N 1.487 121.414 119.914 0.023 0.000 3.528 156 V HA 0.971 5.091 4.120 -0.000 0.000 0.301 156 V C 0.735 176.847 176.094 0.029 0.000 1.332 156 V CA -0.661 61.654 62.300 0.024 0.000 1.004 156 V CB 0.316 32.157 31.823 0.031 0.000 1.222 156 V HN 0.749 nan 8.190 nan 0.000 0.478 157 G N -0.531 108.290 108.800 0.036 0.000 2.535 157 G HA2 0.507 4.466 3.960 -0.000 0.000 0.282 157 G HA3 0.507 4.466 3.960 -0.000 0.000 0.282 157 G C -0.374 174.556 174.900 0.050 0.000 1.350 157 G CA -1.002 44.121 45.100 0.039 0.000 1.039 157 G HN 0.776 nan 8.290 nan 0.000 0.509 158 R N -0.320 120.212 120.500 0.054 0.000 2.389 158 R HA 0.355 4.695 4.340 -0.000 0.000 0.295 158 R C 0.527 176.886 176.300 0.100 0.000 1.075 158 R CA 0.542 56.682 56.100 0.066 0.000 1.005 158 R CB 0.867 31.203 30.300 0.061 0.000 0.987 158 R HN 0.598 nan 8.270 nan 0.000 0.452 159 S N 2.045 117.803 115.700 0.095 0.000 3.711 159 S HA -0.065 4.405 4.470 -0.000 0.000 0.374 159 S C -2.223 172.456 174.600 0.132 0.000 0.969 159 S CA -0.372 57.896 58.200 0.115 0.000 1.198 159 S CB -0.567 62.741 63.200 0.181 0.000 0.903 159 S HN 0.544 nan 8.310 nan 0.000 0.493 160 P HA 0.202 nan 4.420 nan 0.000 0.271 160 P C 0.326 177.677 177.300 0.085 0.000 1.220 160 P CA -0.125 63.033 63.100 0.097 0.000 0.768 160 P CB 1.038 32.782 31.700 0.073 0.000 0.848 161 K N 2.239 122.702 120.400 0.105 0.000 2.847 161 K HA 0.256 4.576 4.320 -0.000 0.000 0.251 161 K C 1.236 177.891 176.600 0.091 0.000 1.299 161 K CA -0.241 56.094 56.287 0.080 0.000 0.926 161 K CB -0.520 32.026 32.500 0.076 0.000 1.824 161 K HN 0.463 nan 8.250 nan 0.000 0.388 162 G N 1.948 110.816 108.800 0.113 0.000 2.491 162 G HA2 0.355 4.315 3.960 -0.000 0.000 0.238 162 G HA3 0.355 4.315 3.960 -0.000 0.000 0.238 162 G C -0.679 174.285 174.900 0.106 0.000 1.277 162 G CA -0.058 45.109 45.100 0.112 0.000 0.851 162 G HN 0.357 nan 8.290 nan 0.000 0.573 163 I N 0.422 121.052 120.570 0.101 0.000 2.775 163 I HA 0.667 4.836 4.170 -0.000 0.000 0.295 163 I C -0.795 175.376 176.117 0.090 0.000 1.287 163 I CA -0.830 60.526 61.300 0.094 0.000 1.029 163 I CB 2.017 40.068 38.000 0.084 0.000 1.282 163 I HN 0.851 nan 8.210 nan 0.000 0.426 164 A N 5.862 128.737 122.820 0.091 0.000 2.589 164 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 164 A C -1.970 175.655 177.584 0.068 0.000 1.062 164 A CA -0.504 51.584 52.037 0.085 0.000 0.686 164 A CB 1.818 20.876 19.000 0.097 0.000 1.282 164 A HN 0.417 nan 8.150 nan 0.000 0.404 165 V N 1.618 121.553 119.914 0.034 0.000 2.547 165 V HA 0.614 4.734 4.120 -0.000 0.000 0.299 165 V C 0.798 176.922 176.094 0.050 0.000 1.040 165 V CA -0.096 62.198 62.300 -0.010 0.000 0.913 165 V CB 1.834 33.629 31.823 -0.046 0.000 0.992 165 V HN 1.136 nan 8.190 nan 0.000 0.449 166 T N 2.490 117.080 114.554 0.061 0.000 2.918 166 T HA 0.196 4.546 4.350 -0.000 0.000 0.302 166 T C -1.642 173.082 174.700 0.040 0.000 1.045 166 T CA -1.366 60.780 62.100 0.078 0.000 1.114 166 T CB 1.005 69.933 68.868 0.100 0.000 0.965 166 T HN 0.522 nan 8.240 nan 0.000 0.540 167 P HA -0.091 nan 4.420 nan 0.000 0.221 167 P C 0.889 178.204 177.300 0.026 0.000 1.145 167 P CA 1.059 64.177 63.100 0.031 0.000 0.795 167 P CB -0.089 31.628 31.700 0.029 0.000 0.775 168 D N -1.605 118.810 120.400 0.024 0.000 2.340 168 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 168 D C 1.443 177.750 176.300 0.012 0.000 1.039 168 D CA 0.444 54.455 54.000 0.017 0.000 0.866 168 D CB -1.154 39.655 40.800 0.016 0.000 0.913 168 D HN 0.194 nan 8.370 nan 0.000 0.523 169 G N 0.295 109.101 108.800 0.011 0.000 2.166 169 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.260 169 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.260 169 G C 1.132 176.023 174.900 -0.016 0.000 0.986 169 G CA 1.324 46.427 45.100 0.004 0.000 0.683 169 G HN 0.626 nan 8.290 nan 0.000 0.527 170 T N -3.174 111.365 114.554 -0.026 0.000 3.009 170 T HA 0.377 4.727 4.350 -0.000 0.000 0.258 170 T C 0.929 175.570 174.700 -0.098 0.000 1.063 170 T CA 1.314 63.388 62.100 -0.044 0.000 1.139 170 T CB 0.463 69.313 68.868 -0.029 0.000 0.890 170 T HN 0.495 nan 8.240 nan 0.000 0.471 171 K N 0.530 120.854 120.400 -0.127 0.000 2.426 171 K HA 0.690 5.010 4.320 -0.000 0.000 0.251 171 K C -1.835 174.578 176.600 -0.313 0.000 0.941 171 K CA -0.934 55.201 56.287 -0.254 0.000 0.808 171 K CB 3.206 35.511 32.500 -0.325 0.000 1.265 171 K HN -0.083 nan 8.250 nan 0.000 0.432 172 V N 2.732 122.381 119.914 -0.441 0.000 2.444 172 V HA 0.321 4.441 4.120 -0.000 0.000 0.294 172 V C -1.310 174.552 176.094 -0.386 0.000 1.022 172 V CA -0.910 61.152 62.300 -0.397 0.000 0.850 172 V CB 0.671 32.149 31.823 -0.576 0.000 0.992 172 V HN 0.605 nan 8.190 nan 0.000 0.426 173 Y N 3.281 123.523 120.300 -0.096 0.000 2.326 173 Y HA 0.609 5.159 4.550 -0.000 0.000 0.337 173 Y C 0.171 176.056 175.900 -0.025 0.000 1.023 173 Y CA -0.590 57.481 58.100 -0.049 0.000 1.143 173 Y CB 1.827 40.268 38.460 -0.031 0.000 1.183 173 Y HN 0.389 nan 8.280 nan 0.000 0.485 174 V N 3.272 123.251 119.914 0.110 0.000 2.495 174 V HA 0.677 4.797 4.120 -0.000 0.000 0.298 174 V C -0.261 175.897 176.094 0.106 0.000 1.031 174 V CA -1.130 61.223 62.300 0.089 0.000 0.871 174 V CB 1.599 33.452 31.823 0.049 0.000 0.988 174 V HN 0.851 nan 8.190 nan 0.000 0.432 175 A N 3.749 126.637 122.820 0.114 0.000 2.260 175 A HA 0.514 4.834 4.320 -0.000 0.000 0.312 175 A C 0.095 177.757 177.584 0.129 0.000 1.321 175 A CA -0.463 51.646 52.037 0.120 0.000 0.928 175 A CB -0.403 18.680 19.000 0.137 0.000 1.158 175 A HN 0.927 nan 8.150 nan 0.000 0.542 176 N N 2.631 121.395 118.700 0.105 0.000 2.602 176 N HA 0.208 4.948 4.740 -0.000 0.000 0.238 176 N C 0.336 175.921 175.510 0.125 0.000 1.084 176 N CA -0.343 52.773 53.050 0.109 0.000 0.952 176 N CB 0.237 38.766 38.487 0.069 0.000 1.244 176 N HN 0.706 nan 8.380 nan 0.000 0.512 177 F N 1.924 121.893 119.950 0.031 0.000 2.087 177 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 177 F C 1.505 177.317 175.800 0.019 0.000 1.100 177 F CA 1.766 59.782 58.000 0.025 0.000 1.226 177 F CB 0.302 39.318 39.000 0.027 0.000 0.983 177 F HN 0.430 nan 8.300 nan 0.000 0.479 178 D N -0.615 119.891 120.400 0.176 0.000 2.340 178 D HA 0.079 4.719 4.640 -0.000 0.000 0.220 178 D C 0.721 177.029 176.300 0.012 0.000 1.039 178 D CA 0.353 54.398 54.000 0.076 0.000 0.866 178 D CB 0.223 41.104 40.800 0.135 0.000 0.913 178 D HN 0.122 nan 8.370 nan 0.000 0.523 182 I N 1.971 122.573 120.570 0.054 0.000 2.447 182 I HA 0.419 4.589 4.170 -0.000 0.000 0.287 182 I C -0.228 175.932 176.117 0.072 0.000 1.023 182 I CA -0.561 60.789 61.300 0.083 0.000 1.083 182 I CB 2.170 40.242 38.000 0.119 0.000 1.245 182 I HN 0.658 nan 8.210 nan 0.000 0.434 183 S N 4.932 120.663 115.700 0.052 0.000 2.565 183 S HA 0.442 4.912 4.470 -0.000 0.000 0.274 183 S C -0.112 174.463 174.600 -0.043 0.000 1.309 183 S CA -0.610 57.595 58.200 0.008 0.000 1.043 183 S CB 1.692 64.894 63.200 0.002 0.000 0.939 183 S HN 0.338 nan 8.310 nan 0.000 0.504 184 V N 4.527 124.377 119.914 -0.106 0.000 2.304 184 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 184 V C -0.231 175.724 176.094 -0.232 0.000 1.018 184 V CA -0.440 61.693 62.300 -0.277 0.000 0.814 184 V CB 0.442 32.108 31.823 -0.261 0.000 1.021 184 V HN 0.758 nan 8.190 nan 0.000 0.440 185 I N 3.537 123.950 120.570 -0.261 0.000 2.342 185 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 185 I C 0.146 176.140 176.117 -0.205 0.000 1.010 185 I CA -0.218 60.969 61.300 -0.187 0.000 1.308 185 I CB 1.308 39.212 38.000 -0.161 0.000 1.400 185 I HN 0.568 nan 8.210 nan 0.000 0.488 186 D N 4.128 124.450 120.400 -0.130 0.000 2.317 186 D HA 0.047 4.687 4.640 -0.000 0.000 0.252 186 D C 1.339 177.596 176.300 -0.071 0.000 1.174 186 D CA -0.314 53.623 54.000 -0.105 0.000 0.866 186 D CB 1.267 42.026 40.800 -0.068 0.000 1.127 186 D HN 0.674 nan 8.370 nan 0.000 0.467 187 T N 0.449 114.958 114.554 -0.074 0.000 2.962 187 T HA -0.113 4.236 4.350 -0.000 0.000 0.270 187 T C 1.819 176.534 174.700 0.025 0.000 1.088 187 T CA 0.746 62.841 62.100 -0.008 0.000 1.127 187 T CB -0.268 68.596 68.868 -0.007 0.000 0.883 187 T HN 0.236 nan 8.240 nan 0.000 0.493 188 V N 2.660 122.574 119.914 0.001 0.000 2.427 188 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 188 V C 2.882 178.981 176.094 0.008 0.000 1.051 188 V CA 2.033 64.337 62.300 0.006 0.000 1.048 188 V CB -0.766 31.054 31.823 -0.004 0.000 0.666 188 V HN 0.868 nan 8.190 nan 0.000 0.456 189 T N -4.715 109.841 114.554 0.004 0.000 3.040 189 T HA 0.192 4.542 4.350 -0.000 0.000 0.266 189 T C 0.553 175.261 174.700 0.013 0.000 1.005 189 T CA 0.299 62.402 62.100 0.005 0.000 0.906 189 T CB -0.479 68.387 68.868 -0.004 0.000 1.082 189 T HN 0.478 nan 8.240 nan 0.000 0.531 190 N N 1.597 120.312 118.700 0.026 0.000 2.727 190 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 190 N C -0.778 174.745 175.510 0.022 0.000 1.048 190 N CA 0.523 53.602 53.050 0.047 0.000 0.714 190 N CB -1.044 37.479 38.487 0.060 0.000 0.959 190 N HN 0.763 nan 8.380 nan 0.000 0.544 191 S N -2.134 113.565 115.700 -0.002 0.000 2.569 191 S HA 0.604 5.074 4.470 -0.000 0.000 0.280 191 S C -0.114 174.469 174.600 -0.028 0.000 1.111 191 S CA -1.031 57.164 58.200 -0.009 0.000 0.887 191 S CB 2.281 65.477 63.200 -0.008 0.000 1.095 191 S HN -0.001 nan 8.310 nan 0.000 0.476 192 V N 2.793 122.691 119.914 -0.026 0.000 2.446 192 V HA 0.136 4.256 4.120 -0.000 0.000 0.276 192 V C 1.164 177.235 176.094 -0.038 0.000 1.030 192 V CA -0.064 62.213 62.300 -0.039 0.000 1.033 192 V CB -0.199 31.610 31.823 -0.024 0.000 0.993 192 V HN 0.901 nan 8.190 nan 0.000 0.477 193 I N 0.110 120.647 120.570 -0.054 0.000 3.968 193 I HA 0.529 4.699 4.170 -0.000 0.000 0.328 193 I C 0.282 176.377 176.117 -0.037 0.000 1.290 193 I CA 0.315 61.588 61.300 -0.044 0.000 1.163 193 I CB 0.554 38.522 38.000 -0.053 0.000 1.024 193 I HN 0.563 nan 8.210 nan 0.000 0.413 194 D N 0.049 120.425 120.400 -0.041 0.000 2.706 194 D HA 0.385 5.025 4.640 -0.000 0.000 0.225 194 D C -1.362 174.931 176.300 -0.013 0.000 1.241 194 D CA -0.086 53.901 54.000 -0.022 0.000 0.784 194 D CB 2.341 43.130 40.800 -0.019 0.000 1.521 194 D HN -0.038 nan 8.370 nan 0.000 0.461 195 T N 1.607 116.164 114.554 0.004 0.000 2.930 195 T HA 0.395 4.745 4.350 -0.000 0.000 0.313 195 T C -0.667 174.047 174.700 0.024 0.000 1.019 195 T CA -0.466 61.642 62.100 0.015 0.000 1.004 195 T CB 1.087 69.961 68.868 0.010 0.000 0.987 195 T HN 0.188 nan 8.240 nan 0.000 0.456 196 V N 3.877 123.815 119.914 0.040 0.000 2.461 196 V HA 0.389 4.509 4.120 -0.000 0.000 0.275 196 V C 0.435 176.547 176.094 0.030 0.000 1.047 196 V CA -0.721 61.602 62.300 0.038 0.000 0.955 196 V CB 1.044 32.900 31.823 0.055 0.000 0.988 196 V HN 0.585 nan 8.190 nan 0.000 0.471 197 K N 5.151 125.564 120.400 0.021 0.000 2.276 197 K HA 0.518 4.838 4.320 -0.000 0.000 0.285 197 K C -0.503 176.109 176.600 0.019 0.000 1.062 197 K CA -0.290 56.007 56.287 0.017 0.000 0.918 197 K CB 1.082 33.589 32.500 0.013 0.000 1.055 197 K HN 0.606 nan 8.250 nan 0.000 0.477 198 V N 0.647 120.573 119.914 0.020 0.000 3.177 198 V HA 0.485 4.605 4.120 -0.000 0.000 0.319 198 V C 0.501 176.622 176.094 0.045 0.000 1.125 198 V CA -0.340 61.977 62.300 0.030 0.000 1.029 198 V CB 1.788 33.627 31.823 0.027 0.000 1.119 198 V HN 0.868 nan 8.190 nan 0.000 0.452 199 E N 0.689 120.943 120.200 0.090 0.000 2.385 199 E HA 0.401 4.751 4.350 -0.000 0.000 0.194 199 E C 0.720 177.451 176.600 0.217 0.000 1.013 199 E CA 0.913 57.412 56.400 0.165 0.000 0.866 199 E CB 0.704 30.528 29.700 0.207 0.000 0.832 199 E HN 0.903 nan 8.360 nan 0.000 0.500 200 A N 0.997 123.867 122.820 0.084 0.000 3.434 200 A HA 0.774 5.094 4.320 -0.000 0.000 0.247 200 A C -1.136 176.332 177.584 -0.193 0.000 1.075 200 A CA -0.327 51.651 52.037 -0.098 0.000 0.737 200 A CB 0.499 19.325 19.000 -0.291 0.000 1.412 200 A HN 0.065 nan 8.150 nan 0.000 0.691 201 A N 1.873 124.482 122.820 -0.351 0.000 2.294 201 A HA 0.646 4.966 4.320 -0.000 0.000 0.316 201 A C -2.621 174.742 177.584 -0.368 0.000 1.359 201 A CA -1.583 50.087 52.037 -0.611 0.000 0.956 201 A CB -0.348 17.857 19.000 -1.325 0.000 1.155 201 A HN 0.398 nan 8.150 nan 0.000 0.544 202 P HA 0.101 nan 4.420 nan 0.000 0.276 202 P C 0.353 177.782 177.300 0.214 0.000 1.243 202 P CA 0.272 63.391 63.100 0.032 0.000 0.768 202 P CB 1.925 33.648 31.700 0.039 0.000 0.856 203 S N 2.635 118.488 115.700 0.256 0.000 2.942 203 S HA 0.346 4.815 4.470 -0.000 0.000 0.220 203 S C 0.906 175.624 174.600 0.197 0.000 0.945 203 S CA 0.566 58.958 58.200 0.320 0.000 0.851 203 S CB -0.532 62.861 63.200 0.322 0.000 0.820 203 S HN 0.553 nan 8.310 nan 0.000 0.624 204 G N 0.833 109.733 108.800 0.167 0.000 2.434 204 G HA2 0.701 4.661 3.960 -0.000 0.000 0.330 204 G HA3 0.701 4.661 3.960 -0.000 0.000 0.330 204 G C -1.244 173.733 174.900 0.129 0.000 1.155 204 G CA -0.616 44.573 45.100 0.148 0.000 0.917 204 G HN 0.485 nan 8.290 nan 0.000 0.493 205 I N -0.058 120.582 120.570 0.117 0.000 2.722 205 I HA 0.610 4.780 4.170 -0.000 0.000 0.295 205 I C -0.371 175.799 176.117 0.087 0.000 1.161 205 I CA -0.998 60.358 61.300 0.093 0.000 1.032 205 I CB 2.530 40.578 38.000 0.080 0.000 1.244 205 I HN 0.663 nan 8.210 nan 0.000 0.421 206 A N 5.048 127.923 122.820 0.090 0.000 2.408 206 A HA 0.776 5.096 4.320 -0.000 0.000 0.295 206 A C -1.274 176.373 177.584 0.105 0.000 1.040 206 A CA -0.497 51.590 52.037 0.084 0.000 0.707 206 A CB 1.662 20.703 19.000 0.069 0.000 1.235 206 A HN 0.365 nan 8.150 nan 0.000 0.418 207 V N 3.447 123.396 119.914 0.057 0.000 2.472 207 V HA 0.303 4.422 4.120 -0.000 0.000 0.290 207 V C 0.252 176.392 176.094 0.077 0.000 1.037 207 V CA -0.849 61.473 62.300 0.036 0.000 0.908 207 V CB 1.487 33.320 31.823 0.016 0.000 0.985 207 V HN 1.048 nan 8.190 nan 0.000 0.454 208 N N 5.768 124.534 118.700 0.109 0.000 2.444 208 N HA 0.192 4.932 4.740 -0.000 0.000 0.255 208 N C -2.077 173.464 175.510 0.053 0.000 1.255 208 N CA -1.835 51.279 53.050 0.107 0.000 0.933 208 N CB -0.084 38.498 38.487 0.158 0.000 1.143 208 N HN 0.192 nan 8.380 nan 0.000 0.453 209 P HA -0.147 nan 4.420 nan 0.000 0.217 209 P C 0.780 178.096 177.300 0.027 0.000 1.148 209 P CA 1.385 64.501 63.100 0.026 0.000 0.828 209 P CB 0.224 31.936 31.700 0.019 0.000 0.783 210 E N -1.803 118.415 120.200 0.029 0.000 2.285 210 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 210 E C 1.620 178.233 176.600 0.022 0.000 0.997 210 E CA 1.071 57.485 56.400 0.023 0.000 0.845 210 E CB -0.602 29.111 29.700 0.022 0.000 0.782 210 E HN 0.235 nan 8.360 nan 0.000 0.491 211 G N 1.263 110.077 108.800 0.023 0.000 2.143 211 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.249 211 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.249 211 G C 1.114 176.018 174.900 0.007 0.000 0.981 211 G CA 1.078 46.191 45.100 0.021 0.000 0.665 211 G HN 0.400 nan 8.290 nan 0.000 0.528 212 T N -2.881 111.670 114.554 -0.005 0.000 3.057 212 T HA 0.447 4.797 4.350 -0.000 0.000 0.254 212 T C 0.814 175.471 174.700 -0.072 0.000 1.094 212 T CA 1.143 63.229 62.100 -0.023 0.000 1.088 212 T CB 0.589 69.450 68.868 -0.012 0.000 0.934 212 T HN 0.500 nan 8.240 nan 0.000 0.497 213 K N 0.446 120.785 120.400 -0.101 0.000 2.469 213 K HA 0.769 5.089 4.320 -0.000 0.000 0.254 213 K C -1.565 174.843 176.600 -0.320 0.000 0.939 213 K CA -0.935 55.205 56.287 -0.244 0.000 0.812 213 K CB 2.595 34.924 32.500 -0.285 0.000 1.301 213 K HN 0.170 nan 8.250 nan 0.000 0.433 214 A N 2.050 124.570 122.820 -0.499 0.000 2.371 214 A HA 0.683 5.003 4.320 -0.000 0.000 0.311 214 A C -1.749 175.505 177.584 -0.549 0.000 1.068 214 A CA -0.595 51.175 52.037 -0.444 0.000 0.744 214 A CB 0.556 19.200 19.000 -0.594 0.000 1.239 214 A HN 0.626 nan 8.150 nan 0.000 0.435 215 Y N 0.949 121.191 120.300 -0.097 0.000 2.364 215 Y HA 0.556 5.106 4.550 -0.000 0.000 0.340 215 Y C -0.024 175.860 175.900 -0.027 0.000 0.975 215 Y CA -0.686 57.386 58.100 -0.047 0.000 1.089 215 Y CB 2.238 40.688 38.460 -0.018 0.000 1.192 215 Y HN 0.418 nan 8.280 nan 0.000 0.454 216 V N 2.069 122.050 119.914 0.112 0.000 2.656 216 V HA 0.451 4.571 4.120 -0.000 0.000 0.307 216 V C -0.332 175.824 176.094 0.104 0.000 1.051 216 V CA -1.128 61.225 62.300 0.089 0.000 0.893 216 V CB 2.154 34.002 31.823 0.042 0.000 0.999 216 V HN 0.834 nan 8.190 nan 0.000 0.426 217 T N 1.072 115.692 114.554 0.109 0.000 2.771 217 T HA 0.453 4.803 4.350 -0.000 0.000 0.291 217 T C -0.342 174.406 174.700 0.080 0.000 0.954 217 T CA -0.723 61.436 62.100 0.099 0.000 1.045 217 T CB 0.321 69.256 68.868 0.112 0.000 0.917 217 T HN 0.591 nan 8.240 nan 0.000 0.484 218 N N 3.029 121.756 118.700 0.046 0.000 2.407 218 N HA 0.406 5.146 4.740 -0.000 0.000 0.277 218 N C -0.990 174.471 175.510 -0.083 0.000 0.995 218 N CA -0.532 52.511 53.050 -0.012 0.000 0.903 218 N CB 2.241 40.733 38.487 0.009 0.000 1.218 218 N HN 0.439 nan 8.380 nan 0.000 0.487 219 V N 1.879 121.727 119.914 -0.111 0.000 2.472 219 V HA 0.424 4.544 4.120 -0.000 0.000 0.290 219 V C 0.141 176.053 176.094 -0.303 0.000 1.037 219 V CA -0.329 61.889 62.300 -0.137 0.000 0.908 219 V CB 1.705 33.569 31.823 0.068 0.000 0.985 219 V HN 0.675 nan 8.190 nan 0.000 0.454 220 D N 2.617 122.789 120.400 -0.380 0.000 2.623 220 D HA 0.198 4.838 4.640 -0.000 0.000 0.241 220 D C 0.344 176.406 176.300 -0.396 0.000 1.241 220 D CA -0.609 53.111 54.000 -0.465 0.000 0.788 220 D CB 2.553 42.809 40.800 -0.908 0.000 1.413 220 D HN 0.408 nan 8.370 nan 0.000 0.429 221 K N 1.077 121.234 120.400 -0.406 0.000 2.097 221 K HA -0.106 4.213 4.320 -0.000 0.000 0.205 221 K C 1.087 177.292 176.600 -0.657 0.000 1.050 221 K CA 1.441 57.378 56.287 -0.583 0.000 0.938 221 K CB 0.038 32.056 32.500 -0.802 0.000 0.718 221 K HN 0.413 nan 8.250 nan 0.000 0.442 222 Y N -1.070 119.193 120.300 -0.062 0.000 2.509 222 Y HA 0.152 4.702 4.550 -0.000 0.000 0.270 222 Y C 0.140 176.119 175.900 0.131 0.000 1.103 222 Y CA -0.625 57.501 58.100 0.043 0.000 1.278 222 Y CB 0.511 39.040 38.460 0.115 0.000 1.087 222 Y HN 0.006 nan 8.280 nan 0.000 0.542 223 F N -1.073 118.916 119.950 0.064 0.000 2.588 223 F HA 0.603 5.130 4.527 -0.000 0.000 0.314 223 F C -1.565 174.233 175.800 -0.004 0.000 1.134 223 F CA -1.537 56.481 58.000 0.030 0.000 0.961 223 F CB 1.145 40.173 39.000 0.047 0.000 1.239 223 F HN -0.296 nan 8.300 nan 0.000 0.448 224 N N 2.087 120.787 118.700 0.000 0.000 2.269 224 N HA 0.671 5.411 4.740 -0.000 0.000 0.304 224 N C -1.130 174.430 175.510 0.084 0.000 1.072 224 N CA -0.398 52.606 53.050 -0.077 0.000 0.802 224 N CB 2.570 41.008 38.487 -0.081 0.000 1.348 224 N HN 0.970 nan 8.380 nan 0.000 0.484 225 T N -2.811 111.793 114.554 0.082 0.000 2.816 225 T HA 0.534 4.883 4.350 -0.000 0.000 0.299 225 T C -1.209 173.543 174.700 0.088 0.000 1.230 225 T CA -0.614 61.556 62.100 0.118 0.000 1.007 225 T CB 1.163 70.144 68.868 0.188 0.000 1.289 225 T HN 0.033 nan 8.240 nan 0.000 0.508 226 V N 2.973 122.943 119.914 0.092 0.000 2.349 226 V HA 0.569 4.689 4.120 -0.000 0.000 0.284 226 V C 0.678 176.841 176.094 0.115 0.000 1.014 226 V CA -0.531 61.832 62.300 0.105 0.000 0.826 226 V CB 0.871 32.756 31.823 0.103 0.000 1.009 226 V HN 1.222 nan 8.190 nan 0.000 0.431 230 D N 3.188 123.501 120.400 -0.146 0.000 2.325 230 D HA 0.202 4.842 4.640 -0.000 0.000 0.251 230 D C 1.394 177.650 176.300 -0.073 0.000 1.196 230 D CA 0.050 53.985 54.000 -0.108 0.000 0.866 230 D CB 1.308 42.070 40.800 -0.063 0.000 1.101 230 D HN 0.671 nan 8.370 nan 0.000 0.476 231 T N 0.425 114.934 114.554 -0.075 0.000 2.929 231 T HA -0.073 4.277 4.350 -0.000 0.000 0.271 231 T C 1.849 176.587 174.700 0.063 0.000 1.085 231 T CA 0.807 62.920 62.100 0.022 0.000 1.125 231 T CB -0.277 68.610 68.868 0.031 0.000 0.874 231 T HN 0.390 nan 8.240 nan 0.000 0.494 232 G N 1.511 110.323 108.800 0.019 0.000 2.408 232 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.215 232 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.215 232 G C 1.708 176.620 174.900 0.019 0.000 1.156 232 G CA 1.161 46.273 45.100 0.019 0.000 0.793 232 G HN 0.681 nan 8.290 nan 0.000 0.535 233 T N -2.969 111.592 114.554 0.013 0.000 3.023 233 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 233 T C 0.867 175.581 174.700 0.024 0.000 1.038 233 T CA 0.221 62.328 62.100 0.012 0.000 0.962 233 T CB 0.085 68.953 68.868 -0.001 0.000 1.018 233 T HN 0.108 nan 8.240 nan 0.000 0.521 234 N N 2.267 120.993 118.700 0.043 0.000 2.727 234 N HA -0.128 4.612 4.740 -0.000 0.000 0.251 234 N C -0.719 174.811 175.510 0.035 0.000 1.040 234 N CA 1.349 54.445 53.050 0.077 0.000 0.712 234 N CB -1.096 37.449 38.487 0.097 0.000 0.912 234 N HN 0.928 nan 8.380 nan 0.000 0.545 235 K N -1.763 118.635 120.400 -0.004 0.000 2.575 235 K HA 0.554 4.874 4.320 -0.000 0.000 0.279 235 K C -0.544 176.031 176.600 -0.042 0.000 0.969 235 K CA -0.909 55.369 56.287 -0.015 0.000 0.868 235 K CB 1.137 33.632 32.500 -0.009 0.000 1.457 235 K HN -0.006 nan 8.250 nan 0.000 0.426 236 I N 2.652 123.201 120.570 -0.035 0.000 2.505 236 I HA 0.008 4.177 4.170 -0.000 0.000 0.287 236 I C 0.706 176.800 176.117 -0.038 0.000 1.104 236 I CA -0.054 61.221 61.300 -0.042 0.000 1.387 236 I CB 0.893 38.880 38.000 -0.021 0.000 1.404 236 I HN 0.941 nan 8.210 nan 0.000 0.528 237 T N 1.851 116.375 114.554 -0.050 0.000 3.044 237 T HA 0.582 4.932 4.350 -0.000 0.000 0.260 237 T C 0.256 174.940 174.700 -0.027 0.000 1.019 237 T CA -0.169 61.908 62.100 -0.039 0.000 0.921 237 T CB 0.500 69.339 68.868 -0.047 0.000 1.053 237 T HN 0.634 nan 8.240 nan 0.000 0.533 238 A N 1.078 123.883 122.820 -0.024 0.000 2.594 238 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 238 A C -1.410 176.182 177.584 0.014 0.000 1.061 238 A CA -1.156 50.880 52.037 -0.002 0.000 0.689 238 A CB 1.281 20.288 19.000 0.012 0.000 1.280 238 A HN 0.264 nan 8.150 nan 0.000 0.406 239 R N 1.277 121.791 120.500 0.023 0.000 2.483 239 R HA 0.556 4.896 4.340 -0.000 0.000 0.303 239 R C -1.461 174.868 176.300 0.047 0.000 0.987 239 R CA -0.391 55.734 56.100 0.042 0.000 0.881 239 R CB 1.798 32.118 30.300 0.033 0.000 1.177 239 R HN 0.636 nan 8.270 nan 0.000 0.451 240 I N 4.646 125.255 120.570 0.065 0.000 2.328 240 I HA 0.293 4.463 4.170 -0.000 0.000 0.287 240 I C -2.101 174.054 176.117 0.063 0.000 1.012 240 I CA -2.539 58.794 61.300 0.055 0.000 1.195 240 I CB 1.659 39.692 38.000 0.054 0.000 1.350 240 I HN 0.206 nan 8.210 nan 0.000 0.464 241 P HA 0.082 nan 4.420 nan 0.000 0.268 241 P C -0.524 176.805 177.300 0.048 0.000 1.204 241 P CA 0.069 63.213 63.100 0.072 0.000 0.768 241 P CB 0.816 32.553 31.700 0.061 0.000 0.842 242 V N 0.155 120.097 119.914 0.048 0.000 3.167 242 V HA 0.890 5.010 4.120 -0.000 0.000 0.310 242 V C 0.365 176.466 176.094 0.012 0.000 1.207 242 V CA -1.004 61.310 62.300 0.023 0.000 1.059 242 V CB 1.257 33.092 31.823 0.020 0.000 1.079 242 V HN 0.625 nan 8.190 nan 0.000 0.446 243 G N 0.935 109.736 108.800 0.002 0.000 2.699 243 G HA2 0.461 4.421 3.960 -0.000 0.000 0.246 243 G HA3 0.461 4.421 3.960 -0.000 0.000 0.246 243 G C -2.230 172.653 174.900 -0.027 0.000 1.219 243 G CA -0.798 44.300 45.100 -0.004 0.000 0.866 243 G HN 0.862 nan 8.290 nan 0.000 0.572 244 P HA 0.088 nan 4.420 nan 0.000 0.267 244 P C -0.534 176.720 177.300 -0.077 0.000 1.200 244 P CA 0.329 63.341 63.100 -0.146 0.000 0.772 244 P CB 0.451 31.941 31.700 -0.351 0.000 0.855 245 D N -0.335 120.011 120.400 -0.088 0.000 2.737 245 D HA -0.125 4.515 4.640 -0.000 0.000 0.238 245 D C -2.140 174.155 176.300 -0.008 0.000 1.157 245 D CA 0.427 54.414 54.000 -0.021 0.000 0.694 245 D CB -1.279 39.534 40.800 0.021 0.000 1.021 245 D HN 0.366 nan 8.370 nan 0.000 0.420 246 P HA 0.245 nan 4.420 nan 0.000 0.271 246 P C -0.084 177.250 177.300 0.057 0.000 1.216 246 P CA -0.018 63.097 63.100 0.024 0.000 0.771 246 P CB 1.759 33.481 31.700 0.036 0.000 0.864 247 A N 3.540 126.394 122.820 0.057 0.000 1.936 247 A HA 0.625 4.945 4.320 -0.000 0.000 0.197 247 A C 0.933 178.606 177.584 0.148 0.000 2.189 247 A CA 0.493 52.595 52.037 0.109 0.000 1.491 247 A CB -0.578 18.480 19.000 0.097 0.000 1.021 247 A HN 0.532 nan 8.150 nan 0.000 0.537 248 G N -0.044 108.853 108.800 0.162 0.000 2.442 248 G HA2 0.466 4.425 3.960 -0.000 0.000 0.249 248 G HA3 0.466 4.425 3.960 -0.000 0.000 0.249 248 G C -0.565 174.527 174.900 0.320 0.000 1.263 248 G CA 0.197 45.447 45.100 0.251 0.000 0.846 248 G HN 0.775 nan 8.290 nan 0.000 0.555 249 I N 0.710 121.490 120.570 0.349 0.000 2.802 249 I HA 0.742 4.912 4.170 -0.000 0.000 0.298 249 I C -0.621 175.549 176.117 0.090 0.000 1.176 249 I CA -0.950 60.514 61.300 0.274 0.000 1.025 249 I CB 2.183 40.283 38.000 0.166 0.000 1.243 249 I HN 0.782 nan 8.210 nan 0.000 0.424 250 A N 5.625 128.404 122.820 -0.069 0.000 2.589 250 A HA 0.720 5.040 4.320 -0.000 0.000 0.296 250 A C -1.926 175.535 177.584 -0.206 0.000 1.062 250 A CA -0.486 51.338 52.037 -0.356 0.000 0.686 250 A CB 1.716 20.022 19.000 -1.157 0.000 1.282 250 A HN 0.402 nan 8.150 nan 0.000 0.404 251 V N 1.887 121.696 119.914 -0.176 0.000 2.472 251 V HA 0.573 4.693 4.120 -0.000 0.000 0.290 251 V C 0.956 176.982 176.094 -0.112 0.000 1.037 251 V CA 0.035 62.259 62.300 -0.126 0.000 0.908 251 V CB 1.720 33.502 31.823 -0.068 0.000 0.985 251 V HN 1.159 nan 8.190 nan 0.000 0.454 252 T N 2.743 117.255 114.554 -0.070 0.000 2.856 252 T HA 0.147 4.497 4.350 -0.000 0.000 0.306 252 T C -1.792 172.881 174.700 -0.045 0.000 1.062 252 T CA -1.108 60.950 62.100 -0.069 0.000 1.083 252 T CB 0.683 69.534 68.868 -0.029 0.000 0.984 252 T HN 0.473 nan 8.240 nan 0.000 0.542 253 P HA -0.094 nan 4.420 nan 0.000 0.219 253 P C 1.035 178.331 177.300 -0.006 0.000 1.146 253 P CA 1.122 64.212 63.100 -0.017 0.000 0.808 253 P CB -0.072 31.622 31.700 -0.009 0.000 0.779 254 D N -2.036 118.359 120.400 -0.008 0.000 2.355 254 D HA 0.061 4.701 4.640 -0.000 0.000 0.218 254 D C 1.463 177.767 176.300 0.006 0.000 1.004 254 D CA 0.739 54.739 54.000 -0.001 0.000 0.880 254 D CB -1.118 39.680 40.800 -0.004 0.000 0.911 254 D HN 0.190 nan 8.370 nan 0.000 0.528 255 G N 0.670 109.473 108.800 0.005 0.000 2.168 255 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.263 255 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.263 255 G C 1.005 175.913 174.900 0.013 0.000 0.977 255 G CA 0.616 45.727 45.100 0.018 0.000 0.659 255 G HN 0.483 nan 8.290 nan 0.000 0.533 256 K N -0.463 119.939 120.400 0.003 0.000 2.379 256 K HA 0.185 4.505 4.320 -0.000 0.000 0.194 256 K C 0.840 177.432 176.600 -0.014 0.000 1.031 256 K CA 0.597 56.884 56.287 0.000 0.000 1.037 256 K CB 0.331 32.832 32.500 0.002 0.000 0.824 256 K HN 0.335 nan 8.250 nan 0.000 0.516 257 K N 0.824 121.217 120.400 -0.012 0.000 2.464 257 K HA 0.394 4.714 4.320 -0.000 0.000 0.253 257 K C -1.413 175.176 176.600 -0.019 0.000 0.933 257 K CA -0.703 55.582 56.287 -0.003 0.000 0.801 257 K CB 3.142 35.708 32.500 0.110 0.000 1.271 257 K HN -0.270 nan 8.250 nan 0.000 0.430 258 V N 3.079 122.933 119.914 -0.101 0.000 2.444 258 V HA 0.333 4.453 4.120 -0.000 0.000 0.294 258 V C -1.306 174.791 176.094 0.005 0.000 1.022 258 V CA -0.838 61.378 62.300 -0.141 0.000 0.850 258 V CB 0.829 32.376 31.823 -0.460 0.000 0.992 258 V HN 0.589 nan 8.190 nan 0.000 0.426 259 Y N 3.437 123.717 120.300 -0.034 0.000 2.330 259 Y HA 0.625 5.175 4.550 -0.000 0.000 0.336 259 Y C 0.114 176.109 175.900 0.158 0.000 1.036 259 Y CA -0.711 57.447 58.100 0.096 0.000 1.125 259 Y CB 1.967 40.578 38.460 0.253 0.000 1.194 259 Y HN 0.359 nan 8.280 nan 0.000 0.469 260 V N 3.596 123.613 119.914 0.172 0.000 2.483 260 V HA 0.650 4.770 4.120 -0.000 0.000 0.297 260 V C -0.207 175.938 176.094 0.084 0.000 1.027 260 V CA -1.248 61.135 62.300 0.138 0.000 0.855 260 V CB 1.376 33.236 31.823 0.061 0.000 0.995 260 V HN 0.882 nan 8.190 nan 0.000 0.424 261 A N 6.264 129.129 122.820 0.075 0.000 2.362 261 A HA 0.761 5.081 4.320 -0.000 0.000 0.276 261 A C -0.420 177.138 177.584 -0.043 0.000 1.153 261 A CA -0.227 51.799 52.037 -0.020 0.000 0.813 261 A CB 0.130 19.084 19.000 -0.078 0.000 1.081 261 A HN 0.840 nan 8.150 nan 0.000 0.507 262 L N 3.756 124.942 121.223 -0.062 0.000 2.313 262 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 262 L C 1.444 178.247 176.870 -0.112 0.000 1.028 262 L CA -0.345 54.460 54.840 -0.059 0.000 0.871 262 L CB 1.298 43.347 42.059 -0.016 0.000 1.242 262 L HN 0.973 nan 8.230 nan 0.000 0.434 263 S N 2.394 117.957 115.700 -0.229 0.000 2.370 263 S HA -0.155 4.315 4.470 -0.000 0.000 0.226 263 S C 0.836 175.337 174.600 -0.165 0.000 1.033 263 S CA 0.560 58.535 58.200 -0.376 0.000 1.011 263 S CB -0.263 62.364 63.200 -0.955 0.000 0.852 263 S HN 0.412 nan 8.310 nan 0.000 0.457 267 T N -3.000 111.519 114.554 -0.059 0.000 2.841 267 T HA 0.748 5.098 4.350 -0.000 0.000 0.296 267 T C -0.826 173.846 174.700 -0.047 0.000 1.166 267 T CA -0.674 61.398 62.100 -0.048 0.000 1.007 267 T CB 2.578 71.424 68.868 -0.035 0.000 1.253 267 T HN -0.192 nan 8.240 nan 0.000 0.511 268 V N 1.259 121.149 119.914 -0.039 0.000 2.588 268 V HA 0.642 4.762 4.120 -0.000 0.000 0.304 268 V C -0.290 175.761 176.094 -0.072 0.000 1.042 268 V CA -0.679 61.605 62.300 -0.026 0.000 0.877 268 V CB 2.087 33.930 31.823 0.034 0.000 0.996 268 V HN 1.089 nan 8.190 nan 0.000 0.425 269 S N 3.204 118.851 115.700 -0.087 0.000 2.462 269 S HA 0.634 5.104 4.470 -0.000 0.000 0.294 269 S C -0.369 174.070 174.600 -0.268 0.000 1.144 269 S CA -0.447 57.669 58.200 -0.140 0.000 1.088 269 S CB 1.686 64.837 63.200 -0.081 0.000 1.009 269 S HN 0.466 nan 8.310 nan 0.000 0.484 270 V N 5.148 124.848 119.914 -0.356 0.000 2.394 270 V HA 0.457 4.577 4.120 -0.000 0.000 0.282 270 V C -0.209 175.726 176.094 -0.265 0.000 1.031 270 V CA -0.451 61.544 62.300 -0.508 0.000 0.881 270 V CB 1.052 32.524 31.823 -0.586 0.000 0.982 270 V HN 0.746 nan 8.190 nan 0.000 0.451 271 I N 3.774 124.212 120.570 -0.221 0.000 2.378 271 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 271 I C -0.013 176.035 176.117 -0.115 0.000 0.992 271 I CA -0.412 60.806 61.300 -0.136 0.000 1.154 271 I CB 1.696 39.626 38.000 -0.116 0.000 1.315 271 I HN 0.570 nan 8.210 nan 0.000 0.448 272 D N 5.119 125.474 120.400 -0.074 0.000 2.336 272 D HA 0.012 4.652 4.640 -0.000 0.000 0.249 272 D C 1.280 177.567 176.300 -0.023 0.000 1.213 272 D CA -0.033 53.939 54.000 -0.047 0.000 0.870 272 D CB 1.366 42.146 40.800 -0.033 0.000 1.076 272 D HN 0.710 nan 8.370 nan 0.000 0.483 273 T N 1.270 115.812 114.554 -0.020 0.000 3.051 273 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 273 T C 1.617 176.348 174.700 0.052 0.000 1.127 273 T CA 0.808 62.929 62.100 0.035 0.000 1.107 273 T CB 0.159 69.055 68.868 0.047 0.000 0.898 273 T HN 0.325 nan 8.240 nan 0.000 0.517 274 A N 2.189 125.024 122.820 0.025 0.000 1.878 274 A HA 0.102 4.422 4.320 -0.000 0.000 0.213 274 A C 2.602 180.198 177.584 0.019 0.000 1.192 274 A CA 1.511 53.561 52.037 0.022 0.000 0.619 274 A CB -0.859 18.148 19.000 0.010 0.000 0.837 274 A HN 0.659 nan 8.150 nan 0.000 0.446 275 T N -4.600 109.961 114.554 0.012 0.000 3.040 275 T HA 0.108 4.458 4.350 -0.000 0.000 0.250 275 T C 0.472 175.181 174.700 0.014 0.000 1.058 275 T CA 0.404 62.510 62.100 0.009 0.000 0.988 275 T CB -0.218 68.650 68.868 -0.000 0.000 0.993 275 T HN 0.326 nan 8.240 nan 0.000 0.519 276 N N 2.507 121.222 118.700 0.025 0.000 2.727 276 N HA -0.127 4.613 4.740 -0.000 0.000 0.249 276 N C -0.216 175.304 175.510 0.018 0.000 1.048 276 N CA 1.522 54.594 53.050 0.037 0.000 0.714 276 N CB -1.614 36.903 38.487 0.050 0.000 0.959 276 N HN 0.949 nan 8.380 nan 0.000 0.544 277 T N -3.008 111.546 114.554 -0.000 0.000 2.916 277 T HA 0.732 5.082 4.350 -0.000 0.000 0.292 277 T C 0.417 175.100 174.700 -0.029 0.000 1.064 277 T CA -0.897 61.197 62.100 -0.010 0.000 1.011 277 T CB 2.034 70.896 68.868 -0.011 0.000 1.152 277 T HN 0.119 nan 8.240 nan 0.000 0.510 278 I N 2.621 123.172 120.570 -0.032 0.000 2.352 278 I HA 0.217 4.386 4.170 -0.000 0.000 0.290 278 I C 1.580 177.663 176.117 -0.056 0.000 1.036 278 I CA -0.547 60.720 61.300 -0.054 0.000 1.336 278 I CB 1.463 39.435 38.000 -0.046 0.000 1.407 278 I HN 1.022 nan 8.210 nan 0.000 0.497 279 T N 1.887 116.395 114.554 -0.076 0.000 3.014 279 T HA 0.529 4.879 4.350 -0.000 0.000 0.250 279 T C 0.410 175.065 174.700 -0.075 0.000 1.060 279 T CA -0.015 62.044 62.100 -0.067 0.000 1.040 279 T CB 0.452 69.280 68.868 -0.066 0.000 0.971 279 T HN 0.681 nan 8.240 nan 0.000 0.497 280 A N -0.139 122.622 122.820 -0.099 0.000 2.599 280 A HA 0.676 4.996 4.320 -0.000 0.000 0.294 280 A C -0.693 176.823 177.584 -0.114 0.000 1.055 280 A CA -0.728 51.251 52.037 -0.097 0.000 0.683 280 A CB 1.146 20.086 19.000 -0.100 0.000 1.278 280 A HN 0.162 nan 8.150 nan 0.000 0.412 284 V N 0.098 119.983 119.914 -0.049 0.000 5.502 284 V HA 1.041 5.161 4.120 -0.000 0.000 0.283 284 V C 1.065 177.126 176.094 -0.055 0.000 1.523 284 V CA -0.121 62.147 62.300 -0.053 0.000 0.749 284 V CB 0.089 31.877 31.823 -0.059 0.000 1.393 284 V HN 1.859 nan 8.190 nan 0.000 0.425 285 G N -0.296 108.470 108.800 -0.057 0.000 2.553 285 G HA2 0.441 4.401 3.960 -0.000 0.000 0.278 285 G HA3 0.441 4.401 3.960 -0.000 0.000 0.278 285 G C -0.641 174.224 174.900 -0.059 0.000 1.349 285 G CA -0.264 44.805 45.100 -0.052 0.000 1.037 285 G HN 0.857 nan 8.290 nan 0.000 0.508 286 K N -0.169 120.200 120.400 -0.052 0.000 2.234 286 K HA 0.215 4.535 4.320 -0.000 0.000 0.277 286 K C 0.460 177.029 176.600 -0.053 0.000 1.038 286 K CA -0.190 56.061 56.287 -0.060 0.000 0.888 286 K CB -0.199 32.270 32.500 -0.052 0.000 1.091 286 K HN 0.681 nan 8.250 nan 0.000 0.467 287 N N 3.341 121.988 118.700 -0.088 0.000 2.746 287 N HA -0.115 4.625 4.740 -0.000 0.000 0.250 287 N C -2.474 172.962 175.510 -0.125 0.000 1.055 287 N CA -0.113 52.871 53.050 -0.110 0.000 0.699 287 N CB -0.139 38.367 38.487 0.031 0.000 0.919 287 N HN 0.437 nan 8.380 nan 0.000 0.548 288 P HA -0.023 nan 4.420 nan 0.000 0.271 288 P C -0.508 176.649 177.300 -0.237 0.000 1.233 288 P CA 0.454 63.476 63.100 -0.129 0.000 0.764 288 P CB 0.253 31.873 31.700 -0.134 0.000 0.825 289 Y N 2.811 123.080 120.300 -0.051 0.000 2.558 289 Y HA 0.294 4.844 4.550 -0.000 0.000 0.273 289 Y C 1.933 177.819 175.900 -0.024 0.000 1.100 289 Y CA 0.712 58.798 58.100 -0.024 0.000 1.276 289 Y CB -0.438 38.009 38.460 -0.022 0.000 1.196 289 Y HN 0.432 nan 8.280 nan 0.000 0.527 290 A N 1.237 124.094 122.820 0.061 0.000 2.311 290 A HA -0.223 4.097 4.320 -0.000 0.000 0.284 290 A C 0.634 178.283 177.584 0.108 0.000 1.409 290 A CA 0.933 52.930 52.037 -0.068 0.000 0.764 290 A CB -1.750 17.006 19.000 -0.407 0.000 1.095 290 A HN 0.235 nan 8.150 nan 0.000 0.369 291 S N -0.679 115.134 115.700 0.188 0.000 2.584 291 S HA 0.697 5.167 4.470 -0.000 0.000 0.273 291 S C 0.823 175.601 174.600 0.297 0.000 1.311 291 S CA 1.150 59.498 58.200 0.246 0.000 1.034 291 S CB 1.028 64.331 63.200 0.171 0.000 0.939 291 S HN 2.541 nan 8.310 nan 0.000 0.513 292 G N 2.681 111.655 108.800 0.290 0.000 2.483 292 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.521 292 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.521 292 G C -1.277 173.710 174.900 0.144 0.000 1.278 292 G CA -0.870 44.358 45.100 0.213 0.000 0.965 292 G HN 0.652 nan 8.290 nan 0.000 0.504 293 Q N 0.831 120.664 119.800 0.054 0.000 2.534 293 Q HA 0.374 4.714 4.340 -0.000 0.000 0.223 293 Q C 0.589 176.582 176.000 -0.012 0.000 1.239 293 Q CA -0.068 55.682 55.803 -0.089 0.000 0.936 293 Q CB -0.215 28.510 28.738 -0.022 0.000 1.457 293 Q HN 0.610 nan 8.270 nan 0.000 0.547 294 F N -0.475 119.529 119.950 0.089 0.000 2.641 294 F HA 0.416 4.943 4.527 -0.000 0.000 0.302 294 F C 0.055 175.944 175.800 0.149 0.000 1.098 294 F CA -0.535 57.541 58.000 0.127 0.000 1.318 294 F CB 0.154 39.232 39.000 0.130 0.000 1.035 294 F HN 0.082 nan 8.300 nan 0.000 0.551 295 I N 0.757 121.298 120.570 -0.048 0.000 2.530 295 I HA 0.842 5.012 4.170 -0.000 0.000 0.297 295 I C 0.280 176.421 176.117 0.040 0.000 1.011 295 I CA -0.961 60.341 61.300 0.003 0.000 1.107 295 I CB 1.872 39.744 38.000 -0.214 0.000 1.285 295 I HN 0.211 nan 8.210 nan 0.000 0.436 296 G N 2.124 110.989 108.800 0.108 0.000 2.489 296 G HA2 0.330 4.290 3.960 -0.000 0.000 0.291 296 G HA3 0.330 4.290 3.960 -0.000 0.000 0.291 296 G C -1.703 173.281 174.900 0.140 0.000 1.487 296 G CA -0.518 44.643 45.100 0.102 0.000 0.795 296 G HN 0.513 nan 8.290 nan 0.000 0.513 297 S N -0.823 114.937 115.700 0.101 0.000 2.565 297 S HA 0.687 5.156 4.470 -0.000 0.000 0.274 297 S C 0.326 175.015 174.600 0.148 0.000 1.309 297 S CA -0.570 57.698 58.200 0.113 0.000 1.043 297 S CB 0.096 63.335 63.200 0.066 0.000 0.939 297 S HN 1.129 nan 8.310 nan 0.000 0.504 298 I N 2.235 122.919 120.570 0.190 0.000 2.569 298 I HA 0.547 4.717 4.170 -0.000 0.000 0.296 298 I C -2.118 174.062 176.117 0.106 0.000 1.028 298 I CA -2.593 58.798 61.300 0.153 0.000 1.082 298 I CB 1.959 40.074 38.000 0.191 0.000 1.264 298 I HN 0.384 nan 8.210 nan 0.000 0.429 299 P HA -0.055 nan 4.420 nan 0.000 0.214 299 P C 0.296 177.617 177.300 0.034 0.000 1.162 299 P CA 0.984 64.108 63.100 0.041 0.000 0.879 299 P CB 0.075 31.789 31.700 0.023 0.000 0.786 300 V N 0.682 120.606 119.914 0.017 0.000 2.444 300 V HA 0.284 4.404 4.120 -0.000 0.000 0.294 300 V C -0.080 175.996 176.094 -0.029 0.000 1.022 300 V CA -0.793 61.503 62.300 -0.006 0.000 0.850 300 V CB 1.655 33.461 31.823 -0.029 0.000 0.992 300 V HN 0.010 nan 8.190 nan 0.000 0.426 301 Q N 5.995 125.781 119.800 -0.025 0.000 2.278 301 Q HA 0.414 4.754 4.340 -0.000 0.000 0.257 301 Q C -2.398 173.475 176.000 -0.213 0.000 0.928 301 Q CA -1.766 53.987 55.803 -0.083 0.000 0.932 301 Q CB 1.934 30.713 28.738 0.068 0.000 1.221 301 Q HN 0.496 nan 8.270 nan 0.000 0.434 302 P HA -0.031 nan 4.420 nan 0.000 0.269 302 P C -0.850 176.092 177.300 -0.596 0.000 1.215 302 P CA -0.160 62.637 63.100 -0.506 0.000 0.780 302 P CB 0.497 31.802 31.700 -0.658 0.000 0.898 303 V N 3.858 123.546 119.914 -0.377 0.000 2.397 303 V HA 0.044 4.164 4.120 -0.000 0.000 0.262 303 V C 0.147 176.101 176.094 -0.233 0.000 1.047 303 V CA 0.188 62.346 62.300 -0.236 0.000 1.003 303 V CB -1.662 30.090 31.823 -0.119 0.000 1.037 303 V HN 0.385 nan 8.190 nan 0.000 0.480 304 Y N 6.933 127.215 120.300 -0.029 0.000 2.320 304 Y HA 0.407 4.957 4.550 -0.000 0.000 0.324 304 Y C -1.514 174.364 175.900 -0.037 0.000 1.190 304 Y CA -2.465 55.612 58.100 -0.037 0.000 1.215 304 Y CB 1.410 39.860 38.460 -0.017 0.000 1.221 304 Y HN 0.432 nan 8.280 nan 0.000 0.486 305 P HA 0.044 nan 4.420 nan 0.000 0.276 305 P C -0.947 176.374 177.300 0.034 0.000 1.244 305 P CA -0.413 62.704 63.100 0.029 0.000 0.801 305 P CB 1.610 33.278 31.700 -0.053 0.000 1.006 306 S N 0.366 116.080 115.700 0.024 0.000 2.707 306 S HA 0.584 5.054 4.470 -0.000 0.000 0.312 306 S C -0.449 174.166 174.600 0.025 0.000 1.116 306 S CA -0.668 57.547 58.200 0.026 0.000 1.078 306 S CB -0.089 63.136 63.200 0.042 0.000 0.997 306 S HN 0.588 nan 8.310 nan 0.000 0.477 307 A N 3.860 126.684 122.820 0.005 0.000 2.409 307 A HA 0.618 4.938 4.320 -0.000 0.000 0.262 307 A C -0.105 177.518 177.584 0.065 0.000 1.113 307 A CA 0.003 52.054 52.037 0.023 0.000 0.790 307 A CB 0.169 19.157 19.000 -0.020 0.000 1.046 307 A HN 0.829 nan 8.150 nan 0.000 0.496 308 D N 0.547 121.029 120.400 0.137 0.000 2.706 308 D HA 0.610 5.250 4.640 -0.000 0.000 0.227 308 D C -0.970 175.497 176.300 0.278 0.000 1.233 308 D CA -0.124 53.944 54.000 0.113 0.000 0.768 308 D CB 1.016 41.853 40.800 0.060 0.000 1.490 308 D HN 0.707 nan 8.370 nan 0.000 0.458 309 F N -0.151 119.872 119.950 0.121 0.000 2.926 309 F HA 0.707 5.234 4.527 -0.000 0.000 0.321 309 F C -1.767 174.173 175.800 0.234 0.000 1.168 309 F CA -1.050 57.084 58.000 0.224 0.000 0.890 309 F CB 0.764 39.971 39.000 0.345 0.000 1.357 309 F HN 0.426 nan 8.300 nan 0.000 0.468 310 K N 0.430 121.129 120.400 0.499 0.000 2.533 310 K HA 0.861 5.181 4.320 -0.000 0.000 0.284 310 K C -1.642 175.228 176.600 0.449 0.000 1.025 310 K CA -0.419 56.051 56.287 0.305 0.000 0.900 310 K CB 2.087 34.666 32.500 0.132 0.000 1.519 310 K HN 1.165 nan 8.250 nan 0.000 0.432 311 S N -0.728 115.111 115.700 0.231 0.000 2.740 311 S HA 0.312 4.782 4.470 -0.000 0.000 0.300 311 S C 0.015 174.586 174.600 -0.048 0.000 1.147 311 S CA -0.589 57.630 58.200 0.032 0.000 0.871 311 S CB 0.993 64.148 63.200 -0.075 0.000 1.173 311 S HN 0.803 nan 8.310 nan 0.000 0.510 312 N N -0.110 118.505 118.700 -0.141 0.000 2.398 312 N HA 0.122 4.861 4.740 -0.000 0.000 0.188 312 N C -0.028 175.406 175.510 -0.128 0.000 1.122 312 N CA -0.131 52.849 53.050 -0.116 0.000 0.866 312 N CB -0.679 37.730 38.487 -0.130 0.000 0.970 312 N HN 0.683 nan 8.380 nan 0.000 0.462 313 I N 1.116 121.607 120.570 -0.133 0.000 2.587 313 I HA -0.017 4.153 4.170 -0.000 0.000 0.284 313 I C 0.491 176.521 176.117 -0.145 0.000 1.134 313 I CA 0.224 61.431 61.300 -0.155 0.000 1.410 313 I CB 0.691 38.626 38.000 -0.109 0.000 1.392 313 I HN 0.067 nan 8.210 nan 0.000 0.545 314 T N 1.511 115.943 114.554 -0.203 0.000 2.978 314 T HA 0.000 4.350 4.350 -0.000 0.000 0.248 314 T C 1.486 176.061 174.700 -0.209 0.000 1.018 314 T CA 0.164 62.164 62.100 -0.167 0.000 1.026 314 T CB 0.324 69.109 68.868 -0.138 0.000 1.032 314 T HN 0.554 nan 8.240 nan 0.000 0.485 315 S N 0.685 116.154 115.700 -0.385 0.000 2.575 315 S HA 0.400 4.870 4.470 -0.000 0.000 0.215 315 S C 1.839 176.262 174.600 -0.295 0.000 0.966 315 S CA 0.392 58.330 58.200 -0.438 0.000 0.911 315 S CB 0.075 62.704 63.200 -0.951 0.000 0.780 315 S HN 0.730 nan 8.310 nan 0.000 0.514 316 G N 1.155 109.817 108.800 -0.230 0.000 2.176 316 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 316 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 316 G C -0.129 174.782 174.900 0.018 0.000 0.979 316 G CA 0.439 45.506 45.100 -0.054 0.000 0.641 316 G HN 0.732 nan 8.290 nan 0.000 0.530 317 Y N -1.818 118.425 120.300 -0.094 0.000 2.705 317 Y HA 0.848 5.398 4.550 -0.000 0.000 0.332 317 Y C -0.827 174.934 175.900 -0.232 0.000 1.221 317 Y CA -1.939 56.083 58.100 -0.130 0.000 1.059 317 Y CB 1.132 39.511 38.460 -0.135 0.000 1.298 317 Y HN 0.593 nan 8.280 nan 0.000 0.459 318 I N 1.291 121.871 120.570 0.016 0.000 2.841 318 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 318 I C -1.633 174.454 176.117 -0.051 0.000 1.304 318 I CA -1.076 60.123 61.300 -0.167 0.000 1.019 318 I CB 1.835 39.781 38.000 -0.090 0.000 1.282 318 I HN 0.687 nan 8.210 nan 0.000 0.432 319 F N 5.290 125.346 119.950 0.176 0.000 2.406 319 F HA 0.294 4.821 4.527 -0.000 0.000 0.327 319 F C 0.220 176.078 175.800 0.096 0.000 1.153 319 F CA -0.723 57.354 58.000 0.129 0.000 1.218 319 F CB 0.738 39.800 39.000 0.104 0.000 1.215 319 F HN 0.279 nan 8.300 nan 0.000 0.570 320 L N 2.128 123.536 121.223 0.309 0.000 2.540 320 L HA -0.003 4.337 4.340 -0.000 0.000 0.276 320 L C 0.914 177.871 176.870 0.145 0.000 1.212 320 L CA 0.794 55.750 54.840 0.193 0.000 0.893 320 L CB 0.125 42.271 42.059 0.146 0.000 1.138 320 L HN 0.776 nan 8.230 nan 0.000 0.491 321 S N 0.640 116.405 115.700 0.109 0.000 2.981 321 S HA -0.266 4.204 4.470 -0.000 0.000 0.274 321 S C 0.412 175.033 174.600 0.035 0.000 1.297 321 S CA 1.379 59.605 58.200 0.043 0.000 1.266 321 S CB -1.486 61.728 63.200 0.024 0.000 1.542 321 S HN 0.889 nan 8.310 nan 0.000 0.674 322 E N 2.318 122.570 120.200 0.087 0.000 2.290 322 E HA 0.277 4.627 4.350 -0.000 0.000 0.277 322 E C -2.555 174.051 176.600 0.010 0.000 1.035 322 E CA -2.094 54.348 56.400 0.070 0.000 0.873 322 E CB 0.635 30.419 29.700 0.141 0.000 1.029 322 E HN 0.085 nan 8.360 nan 0.000 0.419 323 P HA -0.036 nan 4.420 nan 0.000 0.266 323 P C -1.234 175.996 177.300 -0.116 0.000 1.195 323 P CA -0.085 62.958 63.100 -0.095 0.000 0.768 323 P CB 0.716 32.357 31.700 -0.098 0.000 0.838 324 V N 3.792 123.604 119.914 -0.170 0.000 2.409 324 V HA 0.302 4.422 4.120 -0.000 0.000 0.291 324 V C 0.020 175.843 176.094 -0.453 0.000 1.020 324 V CA -0.448 61.665 62.300 -0.312 0.000 0.848 324 V CB 1.338 32.980 31.823 -0.302 0.000 0.990 324 V HN 0.396 nan 8.190 nan 0.000 0.430 325 Q N 4.354 123.893 119.800 -0.435 0.000 2.340 325 Q HA 0.517 4.857 4.340 -0.000 0.000 0.259 325 Q C -1.467 174.294 176.000 -0.399 0.000 0.964 325 Q CA 0.003 55.609 55.803 -0.328 0.000 0.900 325 Q CB 0.839 29.472 28.738 -0.175 0.000 1.228 325 Q HN 0.558 nan 8.270 nan 0.000 0.449 326 F N 1.872 121.746 119.950 -0.128 0.000 2.415 326 F HA 0.419 4.946 4.527 -0.000 0.000 0.348 326 F C 0.540 176.327 175.800 -0.022 0.000 1.119 326 F CA -0.632 57.313 58.000 -0.091 0.000 1.069 326 F CB 2.076 40.752 39.000 -0.541 0.000 1.124 326 F HN 0.326 nan 8.300 nan 0.000 0.472 327 T N 2.814 117.565 114.554 0.329 0.000 2.770 327 T HA 0.163 4.513 4.350 -0.000 0.000 0.283 327 T C -0.879 174.062 174.700 0.400 0.000 0.988 327 T CA -0.680 61.575 62.100 0.258 0.000 0.957 327 T CB 0.358 69.320 68.868 0.157 0.000 0.930 327 T HN 0.592 nan 8.240 nan 0.000 0.443 328 D N 3.660 124.275 120.400 0.359 0.000 2.390 328 D HA 0.190 4.830 4.640 -0.000 0.000 0.249 328 D C 0.572 177.045 176.300 0.288 0.000 1.144 328 D CA 0.032 54.268 54.000 0.394 0.000 0.880 328 D CB 0.595 41.571 40.800 0.294 0.000 1.182 328 D HN 0.490 nan 8.370 nan 0.000 0.451 329 L N 2.140 123.541 121.223 0.296 0.000 3.184 329 L HA 0.218 4.558 4.340 -0.000 0.000 0.283 329 L C 0.504 177.487 176.870 0.187 0.000 1.218 329 L CA -0.382 54.581 54.840 0.205 0.000 1.028 329 L CB 0.313 42.471 42.059 0.166 0.000 1.400 329 L HN 0.233 nan 8.230 nan 0.000 0.591 330 S N 0.812 116.654 115.700 0.237 0.000 2.569 330 S HA 0.186 4.656 4.470 -0.000 0.000 0.274 330 S C 0.180 174.875 174.600 0.158 0.000 1.353 330 S CA 0.194 58.507 58.200 0.188 0.000 1.023 330 S CB 0.727 64.058 63.200 0.218 0.000 0.876 330 S HN 0.185 nan 8.310 nan 0.000 0.540 331 K N 1.127 121.588 120.400 0.101 0.000 2.270 331 K HA 0.267 4.587 4.320 -0.000 0.000 0.255 331 K C -0.864 175.767 176.600 0.053 0.000 0.936 331 K CA -0.722 55.614 56.287 0.082 0.000 0.809 331 K CB 1.167 33.706 32.500 0.064 0.000 1.131 331 K HN 0.531 nan 8.250 nan 0.000 0.427 332 D N 0.452 120.882 120.400 0.050 0.000 2.751 332 D HA -0.200 4.440 4.640 -0.000 0.000 0.233 332 D C -0.723 175.552 176.300 -0.042 0.000 1.149 332 D CA 1.025 55.033 54.000 0.014 0.000 0.682 332 D CB -0.883 39.922 40.800 0.008 0.000 1.068 332 D HN 0.623 nan 8.370 nan 0.000 0.429 333 A N -0.086 122.694 122.820 -0.066 0.000 2.324 333 A HA 0.683 5.003 4.320 -0.000 0.000 0.330 333 A C 1.225 178.557 177.584 -0.420 0.000 1.165 333 A CA 0.216 52.076 52.037 -0.294 0.000 0.813 333 A CB 1.276 20.023 19.000 -0.423 0.000 1.197 333 A HN 0.165 nan 8.150 nan 0.000 0.484 334 T N -1.578 112.633 114.554 -0.571 0.000 2.975 334 T HA 0.311 4.661 4.350 -0.000 0.000 0.261 334 T C 0.208 174.479 174.700 -0.715 0.000 0.984 334 T CA 0.415 62.240 62.100 -0.459 0.000 0.911 334 T CB -0.090 68.666 68.868 -0.186 0.000 1.127 334 T HN 0.722 nan 8.240 nan 0.000 0.514 335 E N -0.142 119.457 120.200 -1.002 0.000 2.314 335 E HA 0.459 4.809 4.350 -0.000 0.000 0.272 335 E C -1.689 174.395 176.600 -0.860 0.000 0.884 335 E CA -1.016 54.977 56.400 -0.679 0.000 0.753 335 E CB 1.754 31.279 29.700 -0.291 0.000 1.213 335 E HN 0.308 nan 8.360 nan 0.000 0.432 336 W N 3.108 124.389 121.300 -0.031 0.000 2.736 336 W HA 0.473 5.133 4.660 -0.000 0.000 0.335 336 W C -0.532 175.932 176.519 -0.093 0.000 1.059 336 W CA -0.861 56.433 57.345 -0.086 0.000 1.226 336 W CB 2.191 31.665 29.460 0.023 0.000 1.416 336 W HN 0.425 nan 8.180 nan 0.000 0.505 337 K N 2.418 122.785 120.400 -0.055 0.000 2.690 337 K HA 0.294 4.614 4.320 -0.000 0.000 0.243 337 K C -1.739 174.702 176.600 -0.265 0.000 0.982 337 K CA -0.175 56.058 56.287 -0.090 0.000 0.955 337 K CB 0.606 33.035 32.500 -0.117 0.000 1.185 337 K HN 0.303 nan 8.250 nan 0.000 0.467 338 W N 2.253 123.369 121.300 -0.307 0.000 2.417 338 W HA 0.361 5.021 4.660 -0.000 0.000 0.317 338 W C -0.314 175.757 176.519 -0.746 0.000 1.121 338 W CA -0.224 56.749 57.345 -0.619 0.000 1.208 338 W CB 1.493 30.419 29.460 -0.890 0.000 1.253 338 W HN 0.521 nan 8.180 nan 0.000 0.533 339 D N 1.973 122.074 120.400 -0.498 0.000 2.549 339 D HA 0.289 4.929 4.640 -0.000 0.000 0.251 339 D C -0.328 175.719 176.300 -0.422 0.000 1.153 339 D CA -0.536 53.228 54.000 -0.393 0.000 0.861 339 D CB 0.649 41.339 40.800 -0.183 0.000 1.207 339 D HN 0.251 nan 8.370 nan 0.000 0.543 340 F N 2.252 122.131 119.950 -0.118 0.000 2.797 340 F HA 0.244 4.771 4.527 -0.000 0.000 0.302 340 F C 2.156 178.012 175.800 0.092 0.000 1.130 340 F CA 0.176 58.076 58.000 -0.168 0.000 1.387 340 F CB 0.483 39.053 39.000 -0.717 0.000 1.107 340 F HN 0.670 nan 8.300 nan 0.000 0.577 341 G N 1.192 110.132 108.800 0.233 0.000 2.148 341 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 341 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 341 G C 0.298 175.474 174.900 0.458 0.000 0.981 341 G CA 0.640 45.935 45.100 0.325 0.000 0.670 341 G HN 0.514 nan 8.290 nan 0.000 0.528 342 D N -1.577 119.034 120.400 0.352 0.000 2.620 342 D HA 0.424 5.064 4.640 -0.000 0.000 0.260 342 D C 1.510 177.943 176.300 0.220 0.000 1.367 342 D CA 0.518 54.729 54.000 0.351 0.000 0.805 342 D CB -0.323 40.652 40.800 0.292 0.000 1.096 342 D HN 1.456 nan 8.370 nan 0.000 0.488 343 G N 0.630 109.532 108.800 0.170 0.000 2.241 343 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 343 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 343 G C 0.438 175.406 174.900 0.113 0.000 0.998 343 G CA 0.375 45.548 45.100 0.121 0.000 0.621 343 G HN 0.922 nan 8.290 nan 0.000 0.519 344 S N -0.111 115.683 115.700 0.156 0.000 2.687 344 S HA 0.891 5.361 4.470 -0.000 0.000 0.283 344 S C 0.131 174.841 174.600 0.184 0.000 1.170 344 S CA 0.790 59.110 58.200 0.199 0.000 1.008 344 S CB 2.395 65.779 63.200 0.306 0.000 1.026 344 S HN 1.983 nan 8.310 nan 0.000 0.541 345 S N 0.020 115.823 115.700 0.173 0.000 2.752 345 S HA 0.851 5.321 4.470 -0.000 0.000 0.284 345 S C -0.727 173.943 174.600 0.116 0.000 1.189 345 S CA -0.617 57.565 58.200 -0.030 0.000 0.835 345 S CB 1.190 64.359 63.200 -0.052 0.000 1.192 345 S HN 1.408 nan 8.310 nan 0.000 0.506 346 S N -0.951 114.764 115.700 0.024 0.000 2.552 346 S HA 0.544 5.014 4.470 -0.000 0.000 0.272 346 S C -1.390 173.316 174.600 0.177 0.000 1.150 346 S CA -0.739 57.542 58.200 0.134 0.000 0.849 346 S CB 1.540 64.852 63.200 0.185 0.000 1.113 346 S HN 0.744 nan 8.310 nan 0.000 0.458 347 K N 1.318 121.821 120.400 0.172 0.000 2.438 347 K HA 0.255 4.575 4.320 -0.000 0.000 0.205 347 K C -0.292 176.454 176.600 0.244 0.000 1.033 347 K CA -0.151 56.264 56.287 0.214 0.000 1.089 347 K CB 0.570 33.157 32.500 0.145 0.000 0.857 347 K HN 0.376 nan 8.250 nan 0.000 0.522 348 K N 1.031 121.539 120.400 0.180 0.000 2.118 348 K HA 0.113 4.432 4.320 -0.000 0.000 0.264 348 K C 0.883 177.505 176.600 0.035 0.000 1.000 348 K CA -0.235 56.085 56.287 0.055 0.000 0.929 348 K CB 1.288 33.774 32.500 -0.024 0.000 1.021 348 K HN -0.027 nan 8.250 nan 0.000 0.463 349 Q N 1.181 120.793 119.800 -0.312 0.000 2.046 349 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 349 Q C -0.207 175.704 176.000 -0.148 0.000 0.975 349 Q CA 1.291 56.670 55.803 -0.706 0.000 0.836 349 Q CB 0.333 28.379 28.738 -1.152 0.000 0.896 349 Q HN 0.454 nan 8.270 nan 0.000 0.428 350 N N 1.759 120.365 118.700 -0.157 0.000 2.904 350 N HA 0.297 5.037 4.740 -0.000 0.000 0.257 350 N C -2.628 172.781 175.510 -0.168 0.000 1.363 350 N CA -0.954 52.037 53.050 -0.098 0.000 0.856 350 N CB 1.574 40.026 38.487 -0.058 0.000 1.166 350 N HN 0.306 nan 8.380 nan 0.000 0.499 351 P HA 0.256 nan 4.420 nan 0.000 0.276 351 P C -0.252 176.972 177.300 -0.127 0.000 1.261 351 P CA -0.029 62.929 63.100 -0.237 0.000 0.800 351 P CB 1.297 32.805 31.700 -0.320 0.000 1.066 352 T N 0.586 115.078 114.554 -0.104 0.000 2.887 352 T HA 0.404 4.754 4.350 -0.000 0.000 0.288 352 T C -0.891 173.697 174.700 -0.186 0.000 1.021 352 T CA -0.213 61.813 62.100 -0.122 0.000 1.000 352 T CB 0.629 69.415 68.868 -0.137 0.000 1.034 352 T HN 0.495 nan 8.240 nan 0.000 0.467 353 H N 1.238 120.083 119.070 -0.376 0.000 2.974 353 H HA 0.501 5.057 4.556 -0.000 0.000 0.366 353 H C -1.218 173.823 175.328 -0.479 0.000 1.155 353 H CA -0.468 55.203 56.048 -0.628 0.000 1.186 353 H CB 2.110 31.076 29.762 -1.327 0.000 1.799 353 H HN 0.778 nan 8.280 nan 0.000 0.541 354 T N 1.580 115.568 114.554 -0.943 0.000 2.841 354 T HA 0.479 4.829 4.350 -0.000 0.000 0.283 354 T C -0.985 173.310 174.700 -0.675 0.000 1.000 354 T CA -0.712 61.073 62.100 -0.525 0.000 0.977 354 T CB 1.223 69.890 68.868 -0.336 0.000 0.979 354 T HN 0.312 nan 8.240 nan 0.000 0.446 355 Y N 1.531 121.720 120.300 -0.185 0.000 2.330 355 Y HA 0.398 4.947 4.550 -0.000 0.000 0.336 355 Y C 1.817 177.676 175.900 -0.068 0.000 1.036 355 Y CA -0.731 57.290 58.100 -0.132 0.000 1.125 355 Y CB 1.833 40.189 38.460 -0.173 0.000 1.194 355 Y HN 0.898 nan 8.280 nan 0.000 0.469 356 S N 0.167 115.918 115.700 0.085 0.000 2.562 356 S HA 0.158 4.628 4.470 -0.000 0.000 0.221 356 S C 0.030 174.708 174.600 0.130 0.000 0.975 356 S CA 0.098 58.342 58.200 0.073 0.000 0.918 356 S CB -0.092 63.132 63.200 0.040 0.000 0.772 356 S HN 0.719 nan 8.310 nan 0.000 0.531 357 E N 1.277 121.605 120.200 0.213 0.000 2.383 357 E HA 0.335 4.685 4.350 -0.000 0.000 0.275 357 E C -0.994 175.780 176.600 0.290 0.000 0.918 357 E CA -0.762 55.772 56.400 0.224 0.000 0.764 357 E CB 1.921 31.756 29.700 0.225 0.000 1.252 357 E HN 0.331 nan 8.360 nan 0.000 0.449 358 T N -0.828 113.846 114.554 0.199 0.000 2.900 358 T HA 0.612 4.962 4.350 -0.000 0.000 0.307 358 T C 0.597 175.383 174.700 0.144 0.000 1.065 358 T CA 0.215 62.420 62.100 0.174 0.000 1.105 358 T CB 1.152 70.082 68.868 0.103 0.000 0.979 358 T HN 0.778 nan 8.240 nan 0.000 0.544 359 G N 0.422 109.265 108.800 0.072 0.000 2.369 359 G HA2 0.317 4.277 3.960 -0.000 0.000 0.293 359 G HA3 0.317 4.277 3.960 -0.000 0.000 0.293 359 G C -1.670 173.071 174.900 -0.264 0.000 1.301 359 G CA -0.659 44.342 45.100 -0.166 0.000 0.913 359 G HN 1.115 nan 8.290 nan 0.000 0.540 360 I N 0.684 121.007 120.570 -0.411 0.000 2.355 360 I HA 0.713 4.883 4.170 -0.000 0.000 0.288 360 I C -1.054 174.815 176.117 -0.414 0.000 0.999 360 I CA -1.063 60.081 61.300 -0.260 0.000 1.163 360 I CB 0.536 38.462 38.000 -0.125 0.000 1.316 360 I HN 0.492 nan 8.210 nan 0.000 0.454 361 Y N 4.021 124.297 120.300 -0.040 0.000 2.487 361 Y HA 0.471 5.021 4.550 -0.000 0.000 0.337 361 Y C 0.345 176.292 175.900 0.078 0.000 1.076 361 Y CA -0.872 57.242 58.100 0.022 0.000 1.115 361 Y CB 2.016 40.479 38.460 0.005 0.000 1.235 361 Y HN 0.334 nan 8.280 nan 0.000 0.468 362 T N 2.684 117.392 114.554 0.256 0.000 2.770 362 T HA 0.421 4.771 4.350 -0.000 0.000 0.297 362 T C -0.621 174.206 174.700 0.211 0.000 0.997 362 T CA -0.564 61.652 62.100 0.193 0.000 0.949 362 T CB 0.212 69.151 68.868 0.118 0.000 0.941 362 T HN 0.291 nan 8.240 nan 0.000 0.457 363 V N 4.901 124.961 119.914 0.243 0.000 2.432 363 V HA 0.498 4.618 4.120 -0.000 0.000 0.275 363 V C 0.430 176.585 176.094 0.102 0.000 1.043 363 V CA -0.696 61.711 62.300 0.179 0.000 0.925 363 V CB 1.085 33.067 31.823 0.265 0.000 0.985 363 V HN 0.702 nan 8.190 nan 0.000 0.466 364 R N 4.610 125.071 120.500 -0.064 0.000 2.534 364 R HA 0.691 5.031 4.340 -0.000 0.000 0.301 364 R C -1.725 174.351 176.300 -0.373 0.000 0.961 364 R CA -0.789 55.240 56.100 -0.118 0.000 0.871 364 R CB 1.638 31.884 30.300 -0.089 0.000 1.170 364 R HN 0.579 nan 8.270 nan 0.000 0.446 365 L N 3.379 124.325 121.223 -0.462 0.000 2.305 365 L HA 0.499 4.839 4.340 -0.000 0.000 0.284 365 L C -1.326 175.272 176.870 -0.454 0.000 1.013 365 L CA 0.183 54.509 54.840 -0.857 0.000 0.819 365 L CB 2.162 43.444 42.059 -1.295 0.000 1.227 365 L HN 0.664 nan 8.230 nan 0.000 0.417 366 T N 5.430 119.728 114.554 -0.425 0.000 2.791 366 T HA 0.617 4.967 4.350 -0.000 0.000 0.288 366 T C -0.315 174.213 174.700 -0.286 0.000 0.999 366 T CA -0.393 61.543 62.100 -0.272 0.000 0.952 366 T CB 1.201 69.945 68.868 -0.206 0.000 0.938 366 T HN 0.563 nan 8.240 nan 0.000 0.444 367 V N 1.068 120.824 119.914 -0.263 0.000 2.975 367 V HA 0.999 5.119 4.120 -0.000 0.000 0.318 367 V C -0.119 175.806 176.094 -0.281 0.000 1.077 367 V CA -0.628 61.464 62.300 -0.347 0.000 1.000 367 V CB 1.984 33.607 31.823 -0.333 0.000 1.066 367 V HN 0.790 nan 8.190 nan 0.000 0.452 368 S N 1.378 116.871 115.700 -0.345 0.000 2.565 368 S HA 0.723 5.193 4.470 -0.000 0.000 0.269 368 S C -1.157 173.297 174.600 -0.243 0.000 1.153 368 S CA -0.631 57.430 58.200 -0.231 0.000 0.835 368 S CB 1.939 65.026 63.200 -0.188 0.000 1.122 368 S HN 1.400 nan 8.310 nan 0.000 0.462 369 N N -1.097 117.516 118.700 -0.145 0.000 2.972 369 N HA 0.312 5.052 4.740 -0.000 0.000 0.262 369 N C 0.458 175.924 175.510 -0.073 0.000 1.478 369 N CA -0.234 52.746 53.050 -0.117 0.000 0.841 369 N CB 0.201 38.631 38.487 -0.095 0.000 1.512 369 N HN 0.394 nan 8.380 nan 0.000 0.548 370 S N -1.061 114.599 115.700 -0.068 0.000 2.584 370 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 370 S C 0.326 174.897 174.600 -0.049 0.000 0.975 370 S CA 1.135 59.302 58.200 -0.056 0.000 0.949 370 S CB -1.034 62.133 63.200 -0.056 0.000 0.761 370 S HN 0.660 nan 8.310 nan 0.000 0.536 371 N N -0.032 118.644 118.700 -0.040 0.000 2.382 371 N HA 0.451 5.191 4.740 -0.000 0.000 0.200 371 N C 0.640 176.231 175.510 0.134 0.000 1.122 371 N CA 0.237 53.268 53.050 -0.032 0.000 0.870 371 N CB 1.118 39.494 38.487 -0.186 0.000 1.176 371 N HN 0.479 nan 8.380 nan 0.000 0.474 372 G N -0.692 108.198 108.800 0.150 0.000 2.428 372 G HA2 0.408 4.368 3.960 -0.000 0.000 0.305 372 G HA3 0.408 4.368 3.960 -0.000 0.000 0.305 372 G C -1.641 173.269 174.900 0.017 0.000 1.260 372 G CA -0.374 44.814 45.100 0.147 0.000 0.853 372 G HN -0.099 nan 8.290 nan 0.000 0.480 373 T N -0.096 114.423 114.554 -0.058 0.000 2.896 373 T HA 0.692 5.042 4.350 -0.000 0.000 0.297 373 T C -1.818 172.810 174.700 -0.121 0.000 1.108 373 T CA -0.314 61.727 62.100 -0.098 0.000 1.004 373 T CB 2.235 71.041 68.868 -0.103 0.000 1.159 373 T HN 0.682 nan 8.240 nan 0.000 0.499 374 D N -0.225 120.104 120.400 -0.117 0.000 2.736 374 D HA 0.626 5.266 4.640 -0.000 0.000 0.223 374 D C -1.221 175.015 176.300 -0.106 0.000 1.231 374 D CA -0.157 53.780 54.000 -0.104 0.000 0.818 374 D CB 2.182 42.936 40.800 -0.077 0.000 1.587 374 D HN 0.368 nan 8.370 nan 0.000 0.463 375 S N 1.387 117.036 115.700 -0.085 0.000 2.600 375 S HA 0.667 5.137 4.470 -0.000 0.000 0.300 375 S C -1.545 173.036 174.600 -0.033 0.000 1.087 375 S CA -0.611 57.541 58.200 -0.080 0.000 0.965 375 S CB 1.706 64.859 63.200 -0.078 0.000 1.089 375 S HN 0.394 nan 8.310 nan 0.000 0.496 376 Q N 2.196 122.000 119.800 0.007 0.000 2.268 376 Q HA 0.421 4.761 4.340 -0.000 0.000 0.266 376 Q C -1.698 174.415 176.000 0.189 0.000 1.006 376 Q CA -0.491 55.368 55.803 0.093 0.000 0.824 376 Q CB 1.598 30.436 28.738 0.167 0.000 1.306 376 Q HN 0.525 nan 8.270 nan 0.000 0.424 377 I N 1.209 121.852 120.570 0.121 0.000 2.525 377 I HA 0.529 4.699 4.170 -0.000 0.000 0.301 377 I C 0.105 176.320 176.117 0.163 0.000 0.992 377 I CA -0.199 61.191 61.300 0.149 0.000 1.162 377 I CB 1.870 39.914 38.000 0.073 0.000 1.332 377 I HN 0.496 nan 8.210 nan 0.000 0.458 378 S N 2.700 118.554 115.700 0.257 0.000 2.537 378 S HA 0.576 5.046 4.470 -0.000 0.000 0.270 378 S C -0.899 173.847 174.600 0.242 0.000 1.142 378 S CA -0.314 58.034 58.200 0.246 0.000 0.870 378 S CB 1.661 65.118 63.200 0.428 0.000 1.112 378 S HN 0.605 nan 8.310 nan 0.000 0.466 379 T N 2.851 117.515 114.554 0.183 0.000 2.779 379 T HA 0.572 4.922 4.350 -0.000 0.000 0.280 379 T C -0.917 173.889 174.700 0.176 0.000 0.987 379 T CA -0.344 61.853 62.100 0.161 0.000 0.966 379 T CB 1.141 70.067 68.868 0.096 0.000 0.933 379 T HN 0.434 nan 8.240 nan 0.000 0.442 380 V N 5.238 125.268 119.914 0.194 0.000 2.384 380 V HA 0.387 4.507 4.120 -0.000 0.000 0.287 380 V C 0.048 176.201 176.094 0.098 0.000 1.020 380 V CA -1.018 61.376 62.300 0.158 0.000 0.850 380 V CB 1.457 33.388 31.823 0.180 0.000 0.987 380 V HN 0.787 nan 8.190 nan 0.000 0.436 381 N N 3.793 122.542 118.700 0.081 0.000 2.485 381 N HA 0.358 5.098 4.740 -0.000 0.000 0.243 381 N C -0.838 174.721 175.510 0.083 0.000 0.987 381 N CA -0.180 52.916 53.050 0.076 0.000 0.940 381 N CB 2.141 40.685 38.487 0.095 0.000 1.122 381 N HN 0.373 nan 8.380 nan 0.000 0.509 382 V N 3.318 123.280 119.914 0.080 0.000 2.370 382 V HA 0.395 4.515 4.120 -0.000 0.000 0.279 382 V C 0.553 176.719 176.094 0.120 0.000 1.029 382 V CA -0.574 61.787 62.300 0.102 0.000 0.870 382 V CB 1.175 33.064 31.823 0.111 0.000 0.984 382 V HN 0.391 nan 8.190 nan 0.000 0.451 383 V N 3.411 123.413 119.914 0.147 0.000 3.167 383 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 383 V C -0.690 175.556 176.094 0.253 0.000 1.207 383 V CA -1.106 61.274 62.300 0.134 0.000 1.059 383 V CB 2.168 34.008 31.823 0.029 0.000 1.079 383 V HN 0.564 nan 8.190 nan 0.000 0.446 384 L N 0.874 122.196 121.223 0.165 0.000 2.379 384 L HA 0.528 4.868 4.340 -0.000 0.000 0.269 384 L C 0.477 177.391 176.870 0.073 0.000 1.084 384 L CA -0.766 54.147 54.840 0.122 0.000 0.802 384 L CB 1.184 43.265 42.059 0.037 0.000 1.175 384 L HN 0.667 nan 8.230 nan 0.000 0.448 385 K N 0.993 121.269 120.400 -0.207 0.000 2.484 385 K HA 0.175 4.495 4.320 -0.000 0.000 0.280 385 K C 0.900 177.416 176.600 -0.140 0.000 1.013 385 K CA 0.895 56.931 56.287 -0.418 0.000 1.029 385 K CB 0.315 32.444 32.500 -0.618 0.000 0.902 385 K HN 0.898 nan 8.250 nan 0.000 0.481 386 G N 1.677 110.439 108.800 -0.064 0.000 2.225 386 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.254 386 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.254 386 G C 0.192 175.075 174.900 -0.029 0.000 0.988 386 G CA 0.154 45.230 45.100 -0.040 0.000 0.625 386 G HN 0.554 nan 8.290 nan 0.000 0.527 387 S N 1.748 117.435 115.700 -0.023 0.000 2.614 387 S HA 0.549 5.019 4.470 -0.000 0.000 0.265 387 S C -1.825 172.737 174.600 -0.064 0.000 1.303 387 S CA -0.650 57.532 58.200 -0.031 0.000 1.000 387 S CB 1.027 64.219 63.200 -0.013 0.000 0.935 387 S HN 0.279 nan 8.310 nan 0.000 0.551 388 P HA 0.087 nan 4.420 nan 0.000 0.264 388 P C -0.390 176.841 177.300 -0.115 0.000 1.183 388 P CA 0.004 63.065 63.100 -0.065 0.000 0.763 388 P CB 0.065 31.741 31.700 -0.040 0.000 0.807 389 T N 1.423 115.900 114.554 -0.128 0.000 2.922 389 T HA 0.544 4.894 4.350 -0.000 0.000 0.285 389 T C -1.857 172.813 174.700 -0.051 0.000 1.005 389 T CA -1.562 60.431 62.100 -0.179 0.000 1.061 389 T CB 0.040 68.809 68.868 -0.164 0.000 1.007 389 T HN 0.190 nan 8.240 nan 0.000 0.502 390 P HA 0.522 nan 4.420 nan 0.000 0.285 390 P C -0.116 177.210 177.300 0.043 0.000 1.282 390 P CA -0.425 62.696 63.100 0.035 0.000 0.778 390 P CB 0.161 31.906 31.700 0.074 0.000 1.222 391 S N 0.000 115.723 115.700 0.038 0.000 2.498 391 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 391 S CA 0.000 58.219 58.200 0.031 0.000 1.107 391 S CB 0.000 63.215 63.200 0.025 0.000 0.593 391 S HN 0.000 nan 8.310 nan 0.000 0.517