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 1v5f_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKINIGLAVM KILESWGADT IYGIPSGTLS SLMDAMGEEE NNVKFLQVKH DATA SEQUENCE EEVGAMAAVM QSKFGGNLGV TVGSGGPGAS HLINGLYDAA MDNIPVVAIL DATA SEQUENCE GSRPQRELNM DAFQELNQNP MYDHIAVYNR RVAYAEQLPK LVDEAARMAI DATA SEQUENCE AKRGVAVLEV PGDFAKVEID NDQWYSSANS LRKYAPIAPA AQDIDAAVEL DATA SEQUENCE LNNSKRPVIY AGIGTMGHGP AVQELARKIK APVITTGKNF ETFEWDFEAL DATA SEQUENCE TGSTYRVGWK PANETILEAD TVLFAGSNFP FSEVEGTFRN VDNFIQIDID DATA SEQUENCE PAMLGKRHHA DVAILGDAAL AIDEILNKVD AVEESAWWTA NLKNIANWRE DATA SEQUENCE YINMLETKEE GDLQFYQVYN AINNHADEDA IYSIDVGNST QTSIRHLHMT DATA SEQUENCE PKNMWRTSPL FATMGIAIPG GLGAKNTYPD RQVWNIIGDG AFSMTYPDVV DATA SEQUENCE TNVRYNMPVI NVVFSNTEYA FIKNKYEDTN KNLFGVDFTD VDYAKIAEAQ DATA SEQUENCE GAKGFTVSRI EDMDRVMAEA VAANKAGHTV VIDCKITQDR PIPVETLKLD DATA SEQUENCE SKLYSEDEIK AYKERYEAAN LVPFREYLEA EGLESKYIK 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.552 175.510 0.069 0.000 1.280 4 N CA 0.000 53.081 53.050 0.051 0.000 0.885 4 N CB 0.000 38.518 38.487 0.052 0.000 1.341 5 K N 2.153 122.593 120.400 0.066 0.000 2.185 5 K HA 0.649 4.970 4.320 0.000 0.000 0.240 5 K C -0.630 176.018 176.600 0.080 0.000 0.983 5 K CA -0.710 55.621 56.287 0.073 0.000 0.873 5 K CB 2.013 34.543 32.500 0.050 0.000 1.118 5 K HN 0.610 nan 8.250 nan 0.000 0.441 6 I N 0.587 121.203 120.570 0.077 0.000 2.775 6 I HA 0.151 4.321 4.170 0.000 0.000 0.295 6 I C -0.869 175.245 176.117 -0.005 0.000 1.287 6 I CA -0.683 60.644 61.300 0.045 0.000 1.029 6 I CB 2.120 40.168 38.000 0.080 0.000 1.282 6 I HN 0.548 nan 8.210 nan 0.000 0.426 7 N N 6.481 125.161 118.700 -0.032 0.000 2.497 7 N HA 0.146 4.886 4.740 0.000 0.000 0.268 7 N C 0.926 176.379 175.510 -0.096 0.000 1.171 7 N CA 0.053 53.077 53.050 -0.044 0.000 0.948 7 N CB 1.166 39.631 38.487 -0.037 0.000 1.069 7 N HN 0.686 nan 8.380 nan 0.000 0.460 8 I N 2.989 123.514 120.570 -0.075 0.000 2.264 8 I HA -0.231 3.939 4.170 0.000 0.000 0.248 8 I C 2.260 178.301 176.117 -0.127 0.000 1.111 8 I CA 1.365 62.601 61.300 -0.106 0.000 1.382 8 I CB -0.416 37.556 38.000 -0.046 0.000 1.060 8 I HN 0.723 nan 8.210 nan 0.000 0.418 9 G N 0.921 109.671 108.800 -0.082 0.000 2.418 9 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 9 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 9 G C 1.617 176.447 174.900 -0.118 0.000 1.158 9 G CA 0.541 45.594 45.100 -0.078 0.000 0.771 9 G HN 0.263 nan 8.290 nan 0.000 0.545 10 L N 1.363 122.505 121.223 -0.134 0.000 2.056 10 L HA 0.238 4.579 4.340 0.000 0.000 0.207 10 L C 3.021 179.720 176.870 -0.285 0.000 1.078 10 L CA 1.961 56.708 54.840 -0.155 0.000 0.749 10 L CB -0.810 41.179 42.059 -0.116 0.000 0.901 10 L HN 0.228 nan 8.230 nan 0.000 0.433 11 A N -1.084 121.470 122.820 -0.442 0.000 1.908 11 A HA -0.159 4.161 4.320 0.000 0.000 0.218 11 A C 2.283 179.507 177.584 -0.601 0.000 1.181 11 A CA 2.005 53.506 52.037 -0.893 0.000 0.627 11 A CB -1.106 17.246 19.000 -1.080 0.000 0.818 11 A HN 0.300 nan 8.150 nan 0.000 0.445 12 V N -0.059 119.661 119.914 -0.323 0.000 2.343 12 V HA -0.294 3.826 4.120 0.000 0.000 0.247 12 V C 2.679 178.704 176.094 -0.116 0.000 1.051 12 V CA 2.049 64.246 62.300 -0.172 0.000 1.036 12 V CB -0.635 31.128 31.823 -0.100 0.000 0.654 12 V HN 0.511 nan 8.190 nan 0.000 0.451 13 M N -0.496 119.034 119.600 -0.116 0.000 2.175 13 M HA -0.138 4.342 4.480 0.000 0.000 0.264 13 M C 2.112 178.386 176.300 -0.043 0.000 1.063 13 M CA 1.612 56.877 55.300 -0.058 0.000 1.119 13 M CB -1.136 31.433 32.600 -0.051 0.000 1.377 13 M HN 0.328 nan 8.290 nan 0.000 0.415 14 K N 0.132 120.468 120.400 -0.107 0.000 2.097 14 K HA -0.055 4.265 4.320 0.000 0.000 0.206 14 K C 1.996 178.634 176.600 0.063 0.000 1.049 14 K CA 1.055 57.322 56.287 -0.033 0.000 0.933 14 K CB -0.159 32.284 32.500 -0.094 0.000 0.717 14 K HN 0.277 nan 8.250 nan 0.000 0.442 15 I N 1.116 121.708 120.570 0.037 0.000 2.202 15 I HA -0.289 3.882 4.170 0.000 0.000 0.242 15 I C 2.196 178.476 176.117 0.272 0.000 1.091 15 I CA 1.177 62.599 61.300 0.202 0.000 1.368 15 I CB -0.239 37.862 38.000 0.168 0.000 1.058 15 I HN 0.117 nan 8.210 nan 0.000 0.410 16 L N 0.385 121.703 121.223 0.158 0.000 2.042 16 L HA -0.259 4.082 4.340 0.000 0.000 0.210 16 L C 2.621 179.591 176.870 0.167 0.000 1.076 16 L CA 1.631 56.567 54.840 0.160 0.000 0.749 16 L CB -0.634 41.468 42.059 0.071 0.000 0.893 16 L HN 0.339 nan 8.230 nan 0.000 0.432 17 E N 0.252 120.516 120.200 0.107 0.000 2.077 17 E HA -0.245 4.105 4.350 0.000 0.000 0.193 17 E C 2.238 178.885 176.600 0.078 0.000 0.989 17 E CA 1.609 58.056 56.400 0.079 0.000 0.800 17 E CB 0.054 29.786 29.700 0.052 0.000 0.746 17 E HN 0.525 nan 8.360 nan 0.000 0.452 18 S N -0.639 115.108 115.700 0.079 0.000 2.419 18 S HA -0.154 4.316 4.470 0.000 0.000 0.233 18 S C 1.417 175.951 174.600 -0.110 0.000 1.016 18 S CA 0.804 58.988 58.200 -0.028 0.000 0.974 18 S CB -0.681 62.482 63.200 -0.061 0.000 0.786 18 S HN 0.473 nan 8.310 nan 0.000 0.492 19 W N 1.733 123.045 121.300 0.021 0.000 3.256 19 W HA 0.457 5.117 4.660 0.001 0.000 0.269 19 W C 1.755 178.276 176.519 0.003 0.000 1.310 19 W CA 0.238 57.588 57.345 0.008 0.000 1.673 19 W CB -0.198 29.260 29.460 -0.003 0.000 1.115 19 W HN 0.517 nan 8.180 nan 0.000 0.686 20 G N 0.139 109.038 108.800 0.165 0.000 2.179 20 G HA2 -0.240 3.721 3.960 0.000 0.000 0.260 20 G HA3 -0.240 3.721 3.960 0.000 0.000 0.260 20 G C 0.462 175.421 174.900 0.098 0.000 0.977 20 G CA -0.131 45.031 45.100 0.104 0.000 0.641 20 G HN 0.486 nan 8.290 nan 0.000 0.533 21 A N 1.077 123.974 122.820 0.128 0.000 2.990 21 A HA 0.560 4.880 4.320 0.000 0.000 0.282 21 A C 1.027 178.644 177.584 0.055 0.000 1.688 21 A CA 0.791 52.879 52.037 0.085 0.000 1.391 21 A CB -0.341 18.709 19.000 0.084 0.000 1.112 21 A HN 0.647 nan 8.150 nan 0.000 0.588 22 D N -0.064 120.353 120.400 0.029 0.000 2.325 22 D HA 0.104 4.744 4.640 0.000 0.000 0.225 22 D C -0.048 176.227 176.300 -0.042 0.000 1.096 22 D CA 0.243 54.244 54.000 0.002 0.000 0.844 22 D CB 0.130 40.928 40.800 -0.003 0.000 0.925 22 D HN 0.155 nan 8.370 nan 0.000 0.513 23 T N 0.489 115.008 114.554 -0.058 0.000 3.011 23 T HA 0.435 4.785 4.350 0.000 0.000 0.303 23 T C -0.444 174.145 174.700 -0.184 0.000 0.997 23 T CA -0.562 61.424 62.100 -0.189 0.000 1.007 23 T CB 1.431 70.129 68.868 -0.283 0.000 1.017 23 T HN 0.035 nan 8.240 nan 0.000 0.443 24 I N 3.347 123.773 120.570 -0.240 0.000 2.378 24 I HA 0.443 4.613 4.170 0.000 0.000 0.291 24 I C -1.004 174.821 176.117 -0.487 0.000 0.992 24 I CA -0.983 60.240 61.300 -0.128 0.000 1.154 24 I CB 1.297 39.375 38.000 0.131 0.000 1.315 24 I HN 0.574 nan 8.210 nan 0.000 0.448 25 Y N 4.067 124.191 120.300 -0.294 0.000 2.360 25 Y HA 0.790 5.340 4.550 0.001 0.000 0.337 25 Y C 0.782 176.493 175.900 -0.314 0.000 1.039 25 Y CA -0.291 57.563 58.100 -0.410 0.000 1.109 25 Y CB 1.933 40.258 38.460 -0.226 0.000 1.201 25 Y HN 0.735 nan 8.280 nan 0.000 0.458 26 G N 1.640 110.286 108.800 -0.257 0.000 2.344 26 G HA2 0.347 4.307 3.960 0.000 0.000 0.282 26 G HA3 0.347 4.307 3.960 0.000 0.000 0.282 26 G C -2.075 172.972 174.900 0.245 0.000 1.281 26 G CA -0.979 44.172 45.100 0.086 0.000 0.877 26 G HN 0.451 nan 8.290 nan 0.000 0.494 27 I N 2.367 123.166 120.570 0.381 0.000 2.499 27 I HA 0.383 4.553 4.170 0.000 0.000 0.288 27 I C -2.159 174.112 176.117 0.257 0.000 1.048 27 I CA -1.957 59.538 61.300 0.325 0.000 1.062 27 I CB 2.756 40.859 38.000 0.171 0.000 1.238 27 I HN 0.292 nan 8.210 nan 0.000 0.426 28 P HA 0.239 nan 4.420 nan 0.000 0.275 28 P C -0.735 176.557 177.300 -0.012 0.000 1.227 28 P CA 0.042 63.106 63.100 -0.061 0.000 0.781 28 P CB 1.412 33.011 31.700 -0.168 0.000 0.906 29 S N 0.033 115.712 115.700 -0.035 0.000 2.655 29 S HA 0.462 4.932 4.470 0.000 0.000 0.266 29 S C 1.198 175.784 174.600 -0.023 0.000 1.149 29 S CA -0.239 57.954 58.200 -0.013 0.000 0.818 29 S CB 0.484 63.691 63.200 0.012 0.000 1.130 29 S HN 0.437 nan 8.310 nan 0.000 0.476 30 G N 1.272 110.068 108.800 -0.007 0.000 2.529 30 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 30 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 30 G C 1.379 176.268 174.900 -0.018 0.000 1.177 30 G CA 2.001 47.097 45.100 -0.008 0.000 0.773 30 G HN 1.687 nan 8.290 nan 0.000 0.573 31 T N -1.197 113.347 114.554 -0.016 0.000 3.163 31 T HA 0.282 4.633 4.350 0.000 0.000 0.260 31 T C 1.768 176.445 174.700 -0.039 0.000 1.156 31 T CA 0.764 62.844 62.100 -0.033 0.000 1.072 31 T CB -0.026 68.819 68.868 -0.038 0.000 0.937 31 T HN 0.239 nan 8.240 nan 0.000 0.528 32 L N 0.425 121.626 121.223 -0.037 0.000 2.993 32 L HA 0.224 4.565 4.340 0.000 0.000 0.264 32 L C 2.551 179.378 176.870 -0.072 0.000 1.154 32 L CA 0.403 55.216 54.840 -0.044 0.000 0.972 32 L CB 0.065 42.104 42.059 -0.033 0.000 1.373 32 L HN 0.280 nan 8.230 nan 0.000 0.564 33 S N -0.414 115.244 115.700 -0.070 0.000 2.374 33 S HA -0.219 4.252 4.470 0.000 0.000 0.227 33 S C 2.025 176.584 174.600 -0.068 0.000 1.037 33 S CA 1.792 59.943 58.200 -0.080 0.000 1.024 33 S CB -0.528 62.638 63.200 -0.058 0.000 0.861 33 S HN 0.330 nan 8.310 nan 0.000 0.456 34 S N 2.051 117.724 115.700 -0.045 0.000 2.383 34 S HA 0.040 4.511 4.470 0.000 0.000 0.229 34 S C 1.798 176.376 174.600 -0.037 0.000 1.030 34 S CA 1.467 59.649 58.200 -0.030 0.000 1.002 34 S CB -0.578 62.617 63.200 -0.009 0.000 0.829 34 S HN 0.451 nan 8.310 nan 0.000 0.467 35 L N 0.616 121.813 121.223 -0.043 0.000 2.023 35 L HA -0.026 4.314 4.340 0.000 0.000 0.205 35 L C 2.498 179.326 176.870 -0.069 0.000 1.073 35 L CA 1.125 55.938 54.840 -0.044 0.000 0.745 35 L CB -0.416 41.624 42.059 -0.030 0.000 0.900 35 L HN 0.336 nan 8.230 nan 0.000 0.435 36 M N -0.671 118.862 119.600 -0.112 0.000 2.279 36 M HA -0.217 4.263 4.480 0.000 0.000 0.264 36 M C 1.402 177.628 176.300 -0.123 0.000 1.062 36 M CA 1.451 56.649 55.300 -0.170 0.000 1.099 36 M CB -0.587 31.821 32.600 -0.320 0.000 1.394 36 M HN 0.150 nan 8.290 nan 0.000 0.426 37 D N 0.738 121.083 120.400 -0.092 0.000 2.309 37 D HA -0.067 4.574 4.640 0.000 0.000 0.212 37 D C 1.740 178.010 176.300 -0.050 0.000 0.968 37 D CA 1.133 55.094 54.000 -0.066 0.000 0.882 37 D CB 0.045 40.815 40.800 -0.050 0.000 0.918 37 D HN 0.359 nan 8.370 nan 0.000 0.503 38 A N -0.331 122.458 122.820 -0.051 0.000 2.195 38 A HA 0.147 4.467 4.320 0.000 0.000 0.210 38 A C 0.964 178.525 177.584 -0.039 0.000 1.165 38 A CA -0.096 51.914 52.037 -0.045 0.000 0.806 38 A CB -0.239 18.728 19.000 -0.054 0.000 0.847 38 A HN 0.110 nan 8.150 nan 0.000 0.482 39 M N -0.305 119.272 119.600 -0.038 0.000 2.252 39 M HA 0.313 4.794 4.480 0.000 0.000 0.348 39 M C 1.372 177.665 176.300 -0.011 0.000 1.334 39 M CA 1.347 56.635 55.300 -0.020 0.000 1.071 39 M CB 0.179 32.771 32.600 -0.013 0.000 1.763 39 M HN 0.551 nan 8.290 nan 0.000 0.452 40 G N 1.191 109.990 108.800 -0.002 0.000 2.179 40 G HA2 -0.173 3.787 3.960 0.000 0.000 0.260 40 G HA3 -0.173 3.787 3.960 0.000 0.000 0.260 40 G C -0.048 174.852 174.900 -0.000 0.000 0.977 40 G CA -0.279 44.823 45.100 0.003 0.000 0.641 40 G HN 0.651 nan 8.290 nan 0.000 0.533 41 E N 0.733 120.929 120.200 -0.007 0.000 2.349 41 E HA 0.379 4.730 4.350 0.000 0.000 0.262 41 E C 0.904 177.504 176.600 0.000 0.000 1.088 41 E CA -0.254 56.143 56.400 -0.006 0.000 0.899 41 E CB 0.221 29.912 29.700 -0.014 0.000 1.044 41 E HN 0.503 nan 8.360 nan 0.000 0.420 42 E N 1.489 121.692 120.200 0.006 0.000 2.202 42 E HA -0.287 4.063 4.350 0.000 0.000 0.214 42 E C -0.546 176.065 176.600 0.018 0.000 1.303 42 E CA 0.950 57.359 56.400 0.015 0.000 0.714 42 E CB -1.231 28.482 29.700 0.021 0.000 1.130 42 E HN 0.607 nan 8.360 nan 0.000 0.356 43 E N -2.986 117.222 120.200 0.014 0.000 3.496 43 E HA -0.275 4.075 4.350 0.000 0.000 0.300 43 E C 0.183 176.793 176.600 0.016 0.000 0.877 43 E CA 0.779 57.188 56.400 0.016 0.000 1.050 43 E CB -1.287 28.425 29.700 0.019 0.000 1.532 43 E HN 0.551 nan 8.360 nan 0.000 0.447 44 N N 1.206 119.913 118.700 0.013 0.000 2.454 44 N HA -0.003 4.737 4.740 0.000 0.000 0.254 44 N C 0.395 175.912 175.510 0.011 0.000 1.228 44 N CA 0.492 53.548 53.050 0.011 0.000 0.900 44 N CB 0.471 38.958 38.487 0.000 0.000 1.089 44 N HN 0.101 nan 8.380 nan 0.000 0.449 45 N N 1.724 120.431 118.700 0.013 0.000 2.214 45 N HA 0.076 4.816 4.740 0.000 0.000 0.214 45 N C -0.859 174.655 175.510 0.006 0.000 1.132 45 N CA -0.047 53.009 53.050 0.010 0.000 0.856 45 N CB 0.527 39.019 38.487 0.009 0.000 1.020 45 N HN 0.228 nan 8.380 nan 0.000 0.509 46 V N 2.758 122.678 119.914 0.010 0.000 2.508 46 V HA 0.068 4.188 4.120 0.000 0.000 0.281 46 V C 0.603 176.706 176.094 0.014 0.000 1.041 46 V CA -0.183 62.123 62.300 0.009 0.000 1.016 46 V CB 0.451 32.285 31.823 0.019 0.000 0.984 46 V HN 0.204 nan 8.190 nan 0.000 0.478 47 K N 4.247 124.641 120.400 -0.009 0.000 2.221 47 K HA 0.664 4.984 4.320 0.000 0.000 0.243 47 K C -1.179 175.422 176.600 0.002 0.000 0.968 47 K CA -0.755 55.533 56.287 0.001 0.000 0.846 47 K CB 2.010 34.486 32.500 -0.040 0.000 1.141 47 K HN 0.340 nan 8.250 nan 0.000 0.434 48 F N 2.190 122.069 119.950 -0.119 0.000 2.436 48 F HA 0.392 4.919 4.527 0.000 0.000 0.340 48 F C -1.019 174.639 175.800 -0.236 0.000 1.113 48 F CA -1.183 56.729 58.000 -0.146 0.000 1.022 48 F CB 1.234 40.201 39.000 -0.054 0.000 1.128 48 F HN 0.456 nan 8.300 nan 0.000 0.466 49 L N 6.873 127.520 121.223 -0.960 0.000 2.301 49 L HA 0.377 4.717 4.340 0.000 0.000 0.278 49 L C -0.521 175.861 176.870 -0.813 0.000 1.022 49 L CA -0.441 53.794 54.840 -1.008 0.000 0.854 49 L CB 0.851 42.234 42.059 -1.128 0.000 1.226 49 L HN 0.649 nan 8.230 nan 0.000 0.429 50 Q N 3.852 123.493 119.800 -0.265 0.000 2.296 50 Q HA 0.394 4.734 4.340 0.000 0.000 0.262 50 Q C -0.659 175.429 176.000 0.148 0.000 0.981 50 Q CA -0.520 55.321 55.803 0.064 0.000 0.905 50 Q CB 1.324 30.292 28.738 0.385 0.000 1.186 50 Q HN 0.609 nan 8.270 nan 0.000 0.399 51 V N 1.741 121.710 119.914 0.092 0.000 3.267 51 V HA 0.472 4.593 4.120 0.000 0.000 0.317 51 V C 0.334 176.501 176.094 0.121 0.000 1.131 51 V CA -0.690 61.679 62.300 0.115 0.000 1.031 51 V CB 1.683 33.562 31.823 0.094 0.000 1.159 51 V HN 0.716 nan 8.190 nan 0.000 0.454 52 K N -0.692 119.774 120.400 0.109 0.000 2.334 52 K HA 0.247 4.567 4.320 0.000 0.000 0.195 52 K C 0.312 176.979 176.600 0.112 0.000 1.045 52 K CA 0.810 57.155 56.287 0.098 0.000 1.004 52 K CB -0.139 32.407 32.500 0.076 0.000 0.837 52 K HN 0.869 nan 8.250 nan 0.000 0.510 53 H N 0.411 119.486 119.070 0.007 0.000 2.877 53 H HA 0.180 4.736 4.556 0.001 0.000 0.347 53 H C -0.122 175.201 175.328 -0.009 0.000 1.042 53 H CA -0.071 55.959 56.048 -0.030 0.000 1.276 53 H CB 1.716 31.402 29.762 -0.127 0.000 1.681 53 H HN -0.175 nan 8.280 nan 0.000 0.521 54 E N 2.302 122.539 120.200 0.063 0.000 2.209 54 E HA -0.232 4.119 4.350 0.000 0.000 0.196 54 E C 1.778 178.489 176.600 0.185 0.000 0.993 54 E CA 1.653 58.139 56.400 0.145 0.000 0.819 54 E CB 0.180 29.977 29.700 0.161 0.000 0.745 54 E HN 0.794 nan 8.360 nan 0.000 0.477 55 E N 0.448 120.841 120.200 0.321 0.000 2.150 55 E HA -0.157 4.193 4.350 0.000 0.000 0.193 55 E C 1.876 178.497 176.600 0.035 0.000 0.985 55 E CA 1.254 57.734 56.400 0.135 0.000 0.814 55 E CB -0.207 29.506 29.700 0.021 0.000 0.752 55 E HN 0.111 nan 8.360 nan 0.000 0.466 56 V N 1.505 121.442 119.914 0.039 0.000 2.427 56 V HA -0.146 3.974 4.120 0.000 0.000 0.248 56 V C 2.479 178.551 176.094 -0.037 0.000 1.051 56 V CA 1.895 64.187 62.300 -0.012 0.000 1.048 56 V CB -0.730 31.097 31.823 0.007 0.000 0.666 56 V HN 0.568 nan 8.190 nan 0.000 0.456 57 G N -0.455 108.350 108.800 0.008 0.000 2.402 57 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 57 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 57 G C 1.771 176.590 174.900 -0.133 0.000 1.162 57 G CA 0.996 46.085 45.100 -0.019 0.000 0.777 57 G HN 0.586 nan 8.290 nan 0.000 0.539 58 A N 0.739 123.520 122.820 -0.065 0.000 1.877 58 A HA 0.048 4.368 4.320 0.000 0.000 0.216 58 A C 2.463 179.959 177.584 -0.147 0.000 1.186 58 A CA 1.781 53.763 52.037 -0.092 0.000 0.620 58 A CB -0.384 18.591 19.000 -0.042 0.000 0.822 58 A HN 0.360 nan 8.150 nan 0.000 0.443 59 M N -0.577 118.954 119.600 -0.116 0.000 2.213 59 M HA -0.146 4.334 4.480 0.000 0.000 0.263 59 M C 2.479 178.668 176.300 -0.185 0.000 1.062 59 M CA 1.322 56.555 55.300 -0.112 0.000 1.105 59 M CB -0.400 32.164 32.600 -0.060 0.000 1.385 59 M HN 0.512 nan 8.290 nan 0.000 0.417 60 A N 0.350 122.985 122.820 -0.308 0.000 1.898 60 A HA 0.003 4.324 4.320 0.000 0.000 0.216 60 A C 2.367 179.543 177.584 -0.681 0.000 1.181 60 A CA 1.710 53.455 52.037 -0.486 0.000 0.620 60 A CB -0.828 17.760 19.000 -0.687 0.000 0.819 60 A HN 0.477 nan 8.150 nan 0.000 0.442 61 A N -0.527 121.826 122.820 -0.779 0.000 1.933 61 A HA 0.010 4.331 4.320 0.000 0.000 0.218 61 A C 2.217 179.676 177.584 -0.208 0.000 1.175 61 A CA 1.867 53.621 52.037 -0.472 0.000 0.628 61 A CB -0.780 18.082 19.000 -0.231 0.000 0.814 61 A HN 0.366 nan 8.150 nan 0.000 0.444 62 V N -0.293 119.509 119.914 -0.186 0.000 2.283 62 V HA -0.222 3.898 4.120 0.000 0.000 0.243 62 V C 2.601 178.638 176.094 -0.096 0.000 1.039 62 V CA 1.778 64.007 62.300 -0.118 0.000 1.016 62 V CB -0.648 31.110 31.823 -0.109 0.000 0.650 62 V HN 0.477 nan 8.190 nan 0.000 0.449 63 M N -0.156 119.385 119.600 -0.097 0.000 2.267 63 M HA -0.238 4.242 4.480 0.000 0.000 0.263 63 M C 2.208 178.542 176.300 0.056 0.000 1.063 63 M CA 1.590 56.851 55.300 -0.064 0.000 1.090 63 M CB -1.268 31.343 32.600 0.019 0.000 1.392 63 M HN 0.517 nan 8.290 nan 0.000 0.422 64 Q N -0.112 119.716 119.800 0.046 0.000 2.077 64 Q HA -0.167 4.174 4.340 0.000 0.000 0.206 64 Q C 2.002 178.069 176.000 0.113 0.000 0.989 64 Q CA 2.283 58.155 55.803 0.115 0.000 0.853 64 Q CB 0.140 28.915 28.738 0.062 0.000 0.907 64 Q HN 0.431 nan 8.270 nan 0.000 0.418 65 S N 0.208 115.932 115.700 0.040 0.000 2.371 65 S HA -0.067 4.404 4.470 0.000 0.000 0.224 65 S C 1.651 176.266 174.600 0.026 0.000 1.029 65 S CA 1.019 59.239 58.200 0.034 0.000 0.978 65 S CB -0.040 63.161 63.200 0.001 0.000 0.833 65 S HN 0.341 nan 8.310 nan 0.000 0.466 66 K N 0.414 120.783 120.400 -0.052 0.000 2.103 66 K HA -0.073 4.247 4.320 0.000 0.000 0.207 66 K C 0.911 177.438 176.600 -0.122 0.000 1.048 66 K CA 1.161 57.361 56.287 -0.145 0.000 0.930 66 K CB -0.288 32.020 32.500 -0.320 0.000 0.716 66 K HN 0.317 nan 8.250 nan 0.000 0.444 67 F N 0.195 120.210 119.950 0.108 0.000 2.769 67 F HA 0.144 4.671 4.527 0.001 0.000 0.304 67 F C 1.373 177.315 175.800 0.236 0.000 1.158 67 F CA 0.440 58.547 58.000 0.179 0.000 1.398 67 F CB 0.133 39.266 39.000 0.222 0.000 1.094 67 F HN 0.215 nan 8.300 nan 0.000 0.553 68 G N -0.064 108.904 108.800 0.279 0.000 2.136 68 G HA2 -0.193 3.768 3.960 0.000 0.000 0.242 68 G HA3 -0.193 3.768 3.960 0.000 0.000 0.242 68 G C 0.790 175.787 174.900 0.161 0.000 0.989 68 G CA -0.128 45.109 45.100 0.228 0.000 0.682 68 G HN 0.764 nan 8.290 nan 0.000 0.522 69 G N -0.593 108.277 108.800 0.116 0.000 2.510 69 G HA2 0.518 4.479 3.960 0.000 0.000 0.280 69 G HA3 0.518 4.479 3.960 0.000 0.000 0.280 69 G C 0.287 175.205 174.900 0.030 0.000 1.386 69 G CA -0.293 44.814 45.100 0.011 0.000 1.047 69 G HN 0.316 nan 8.290 nan 0.000 0.527 70 N N -0.959 117.751 118.700 0.016 0.000 2.381 70 N HA 0.125 4.865 4.740 0.000 0.000 0.254 70 N C 0.024 175.563 175.510 0.049 0.000 1.264 70 N CA -0.611 52.462 53.050 0.038 0.000 0.942 70 N CB 1.056 39.563 38.487 0.034 0.000 1.190 70 N HN 0.303 nan 8.380 nan 0.000 0.495 71 L N 0.762 122.019 121.223 0.057 0.000 2.559 71 L HA 0.184 4.525 4.340 0.000 0.000 0.274 71 L C 0.708 177.603 176.870 0.041 0.000 1.205 71 L CA 0.334 55.196 54.840 0.037 0.000 0.907 71 L CB -0.363 41.717 42.059 0.035 0.000 1.153 71 L HN 0.552 nan 8.230 nan 0.000 0.490 72 G N 4.616 113.433 108.800 0.028 0.000 2.425 72 G HA2 0.571 4.532 3.960 0.000 0.000 0.302 72 G HA3 0.571 4.532 3.960 0.000 0.000 0.302 72 G C -1.292 173.633 174.900 0.042 0.000 1.159 72 G CA -0.537 44.600 45.100 0.062 0.000 0.865 72 G HN 0.612 nan 8.290 nan 0.000 0.515 73 V N 0.393 120.366 119.914 0.098 0.000 2.588 73 V HA 0.677 4.798 4.120 0.000 0.000 0.304 73 V C 0.008 176.172 176.094 0.116 0.000 1.042 73 V CA -0.654 61.687 62.300 0.068 0.000 0.877 73 V CB 1.851 33.708 31.823 0.057 0.000 0.996 73 V HN 0.882 nan 8.190 nan 0.000 0.425 74 T N 3.962 118.555 114.554 0.065 0.000 2.861 74 T HA 0.748 5.098 4.350 0.000 0.000 0.287 74 T C -0.942 173.803 174.700 0.076 0.000 1.003 74 T CA -0.391 61.754 62.100 0.076 0.000 0.977 74 T CB 1.519 70.393 68.868 0.011 0.000 0.996 74 T HN 0.885 nan 8.240 nan 0.000 0.448 75 V N 1.586 121.571 119.914 0.119 0.000 2.864 75 V HA 1.067 5.187 4.120 0.000 0.000 0.314 75 V C 0.062 176.229 176.094 0.120 0.000 1.073 75 V CA -0.713 61.661 62.300 0.123 0.000 0.956 75 V CB 1.632 33.559 31.823 0.175 0.000 1.023 75 V HN 1.162 nan 8.190 nan 0.000 0.435 76 G N 1.569 110.428 108.800 0.097 0.000 2.732 76 G HA2 0.589 4.549 3.960 0.000 0.000 0.295 76 G HA3 0.589 4.549 3.960 0.000 0.000 0.295 76 G C -0.381 174.553 174.900 0.058 0.000 1.456 76 G CA -0.037 45.117 45.100 0.091 0.000 1.050 76 G HN 1.420 nan 8.290 nan 0.000 0.525 77 S N 1.170 116.893 115.700 0.038 0.000 2.573 77 S HA 0.504 4.975 4.470 0.000 0.000 0.277 77 S C 1.088 175.675 174.600 -0.022 0.000 1.346 77 S CA 0.113 58.316 58.200 0.005 0.000 1.034 77 S CB 1.112 64.312 63.200 0.000 0.000 0.879 77 S HN 1.534 nan 8.310 nan 0.000 0.528 78 G N 0.986 109.761 108.800 -0.042 0.000 2.138 78 G HA2 0.432 4.392 3.960 0.000 0.000 0.244 78 G HA3 0.432 4.392 3.960 0.000 0.000 0.244 78 G C 1.041 175.881 174.900 -0.101 0.000 1.166 78 G CA -0.005 45.053 45.100 -0.071 0.000 0.902 78 G HN 1.892 nan 8.290 nan 0.000 0.460 79 G N 3.933 112.674 108.800 -0.097 0.000 2.652 79 G HA2 -0.253 3.708 3.960 0.000 0.000 0.278 79 G HA3 -0.253 3.708 3.960 0.000 0.000 0.278 79 G C -0.311 174.519 174.900 -0.118 0.000 1.263 79 G CA 0.514 45.541 45.100 -0.122 0.000 0.966 79 G HN 0.814 nan 8.290 nan 0.000 0.544 80 P HA -0.006 nan 4.420 nan 0.000 0.220 80 P C 1.853 178.990 177.300 -0.272 0.000 1.148 80 P CA 2.586 65.542 63.100 -0.239 0.000 0.803 80 P CB -0.614 30.935 31.700 -0.252 0.000 0.782 81 G N 0.608 109.329 108.800 -0.132 0.000 2.394 81 G HA2 -0.114 3.847 3.960 0.000 0.000 0.214 81 G HA3 -0.114 3.847 3.960 0.000 0.000 0.214 81 G C 1.845 176.773 174.900 0.047 0.000 1.176 81 G CA 0.896 45.972 45.100 -0.040 0.000 0.786 81 G HN 0.333 nan 8.290 nan 0.000 0.533 82 A N 1.441 124.289 122.820 0.047 0.000 1.902 82 A HA -0.042 4.279 4.320 0.000 0.000 0.217 82 A C 2.727 180.444 177.584 0.222 0.000 1.181 82 A CA 2.621 54.739 52.037 0.136 0.000 0.623 82 A CB -0.774 18.288 19.000 0.103 0.000 0.818 82 A HN 0.718 nan 8.150 nan 0.000 0.443 83 S N -0.992 114.770 115.700 0.103 0.000 2.423 83 S HA -0.195 4.275 4.470 0.000 0.000 0.231 83 S C 1.614 176.370 174.600 0.260 0.000 1.014 83 S CA 1.278 59.556 58.200 0.130 0.000 0.965 83 S CB -0.958 62.242 63.200 0.000 0.000 0.785 83 S HN 0.765 nan 8.310 nan 0.000 0.495 84 H N 0.812 119.958 119.070 0.127 0.000 2.545 84 H HA 0.200 4.756 4.556 0.000 0.000 0.282 84 H C 1.496 176.932 175.328 0.181 0.000 1.020 84 H CA 0.827 56.965 56.048 0.150 0.000 1.243 84 H CB -0.112 29.676 29.762 0.043 0.000 1.377 84 H HN 0.383 nan 8.280 nan 0.000 0.581 85 L N 0.018 121.416 121.223 0.292 0.000 2.395 85 L HA -0.085 4.255 4.340 0.000 0.000 0.218 85 L C 2.322 179.267 176.870 0.126 0.000 1.130 85 L CA 0.200 55.134 54.840 0.157 0.000 0.826 85 L CB -0.152 41.940 42.059 0.054 0.000 0.941 85 L HN 0.335 nan 8.230 nan 0.000 0.451 86 I N 1.075 121.825 120.570 0.299 0.000 2.113 86 I HA -0.437 3.733 4.170 0.000 0.000 0.242 86 I C 2.108 178.354 176.117 0.215 0.000 1.057 86 I CA 1.975 63.489 61.300 0.356 0.000 1.314 86 I CB 0.034 38.275 38.000 0.401 0.000 1.022 86 I HN 0.392 nan 8.210 nan 0.000 0.408 87 N N 0.766 119.575 118.700 0.182 0.000 2.223 87 N HA -0.121 4.620 4.740 0.000 0.000 0.185 87 N C 1.687 177.276 175.510 0.131 0.000 1.016 87 N CA 1.433 54.620 53.050 0.228 0.000 0.863 87 N CB -0.581 38.035 38.487 0.216 0.000 0.983 87 N HN 0.558 nan 8.380 nan 0.000 0.429 88 G N 0.286 109.118 108.800 0.053 0.000 2.403 88 G HA2 -0.106 3.854 3.960 0.000 0.000 0.216 88 G HA3 -0.106 3.854 3.960 0.000 0.000 0.216 88 G C 1.408 176.257 174.900 -0.084 0.000 1.154 88 G CA 0.294 45.385 45.100 -0.015 0.000 0.784 88 G HN 0.202 nan 8.290 nan 0.000 0.538 89 L N -1.229 119.918 121.223 -0.126 0.000 2.109 89 L HA 0.018 4.358 4.340 0.000 0.000 0.207 89 L C 2.612 179.334 176.870 -0.248 0.000 1.086 89 L CA 0.770 55.472 54.840 -0.230 0.000 0.760 89 L CB -0.475 41.323 42.059 -0.435 0.000 0.910 89 L HN 0.160 nan 8.230 nan 0.000 0.437 90 Y N 0.528 120.584 120.300 -0.406 0.000 2.224 90 Y HA -0.301 4.249 4.550 0.000 0.000 0.289 90 Y C 2.454 177.942 175.900 -0.687 0.000 1.146 90 Y CA 1.807 59.500 58.100 -0.679 0.000 1.182 90 Y CB -0.107 37.577 38.460 -1.293 0.000 0.983 90 Y HN 0.262 nan 8.280 nan 0.000 0.524 91 D N -0.421 119.768 120.400 -0.353 0.000 2.097 91 D HA -0.207 4.433 4.640 0.000 0.000 0.195 91 D C 2.203 178.457 176.300 -0.077 0.000 0.989 91 D CA 1.453 55.412 54.000 -0.067 0.000 0.827 91 D CB -0.232 40.620 40.800 0.086 0.000 0.966 91 D HN 0.252 nan 8.370 nan 0.000 0.456 92 A N 0.373 123.123 122.820 -0.117 0.000 1.933 92 A HA 0.043 4.363 4.320 0.000 0.000 0.218 92 A C 2.363 179.872 177.584 -0.126 0.000 1.175 92 A CA 2.149 54.120 52.037 -0.111 0.000 0.628 92 A CB -1.055 17.869 19.000 -0.127 0.000 0.814 92 A HN 0.345 nan 8.150 nan 0.000 0.444 93 A N -0.454 122.253 122.820 -0.189 0.000 1.877 93 A HA -0.109 4.211 4.320 0.000 0.000 0.216 93 A C 2.250 179.751 177.584 -0.137 0.000 1.186 93 A CA 1.792 53.708 52.037 -0.202 0.000 0.620 93 A CB -0.518 18.282 19.000 -0.334 0.000 0.822 93 A HN 0.520 nan 8.150 nan 0.000 0.443 94 M N -0.894 118.641 119.600 -0.108 0.000 2.319 94 M HA -0.086 4.394 4.480 0.000 0.000 0.265 94 M C 0.704 177.006 176.300 0.003 0.000 1.068 94 M CA 1.199 56.486 55.300 -0.022 0.000 1.118 94 M CB -0.346 32.292 32.600 0.064 0.000 1.395 94 M HN 0.223 nan 8.290 nan 0.000 0.435 95 D N 0.284 120.681 120.400 -0.006 0.000 2.339 95 D HA 0.060 4.700 4.640 0.000 0.000 0.217 95 D C -0.368 175.926 176.300 -0.010 0.000 1.050 95 D CA 0.223 54.228 54.000 0.008 0.000 0.856 95 D CB -0.209 40.596 40.800 0.009 0.000 0.922 95 D HN 0.308 nan 8.370 nan 0.000 0.518 96 N N 0.161 118.841 118.700 -0.033 0.000 2.727 96 N HA -0.150 4.591 4.740 0.000 0.000 0.251 96 N C -1.013 174.476 175.510 -0.035 0.000 1.040 96 N CA 0.110 53.138 53.050 -0.036 0.000 0.712 96 N CB -0.478 37.999 38.487 -0.017 0.000 0.912 96 N HN 0.163 nan 8.380 nan 0.000 0.545 97 I N 0.735 121.275 120.570 -0.051 0.000 2.354 97 I HA 0.363 4.533 4.170 0.000 0.000 0.292 97 I C -1.876 174.203 176.117 -0.064 0.000 0.989 97 I CA -2.443 58.827 61.300 -0.050 0.000 1.188 97 I CB 0.881 38.847 38.000 -0.056 0.000 1.342 97 I HN -0.081 nan 8.210 nan 0.000 0.457 98 P HA 0.199 nan 4.420 nan 0.000 0.271 98 P C -0.624 176.630 177.300 -0.076 0.000 1.216 98 P CA 0.030 63.088 63.100 -0.071 0.000 0.771 98 P CB 2.084 33.749 31.700 -0.059 0.000 0.864 99 V N 3.935 123.792 119.914 -0.095 0.000 3.036 99 V HA 0.207 4.328 4.120 0.000 0.000 0.288 99 V C -1.297 174.737 176.094 -0.100 0.000 1.407 99 V CA -0.707 61.538 62.300 -0.091 0.000 0.983 99 V CB 2.612 34.376 31.823 -0.098 0.000 1.128 99 V HN 0.193 nan 8.190 nan 0.000 0.439 100 V N 5.670 125.533 119.914 -0.084 0.000 2.370 100 V HA 0.857 4.978 4.120 0.000 0.000 0.283 100 V C 0.474 176.538 176.094 -0.051 0.000 1.023 100 V CA 0.191 62.444 62.300 -0.079 0.000 0.857 100 V CB 1.417 33.187 31.823 -0.088 0.000 0.985 100 V HN 1.210 nan 8.190 nan 0.000 0.443 101 A N 6.682 129.471 122.820 -0.051 0.000 2.287 101 A HA 0.831 5.151 4.320 0.000 0.000 0.317 101 A C -0.666 176.919 177.584 0.002 0.000 1.220 101 A CA -0.458 51.555 52.037 -0.041 0.000 0.835 101 A CB 0.531 19.464 19.000 -0.111 0.000 1.180 101 A HN 0.783 nan 8.150 nan 0.000 0.500 102 I N 3.352 123.937 120.570 0.025 0.000 2.330 102 I HA 0.216 4.386 4.170 0.000 0.000 0.289 102 I C -1.068 175.079 176.117 0.049 0.000 1.001 102 I CA -0.703 60.620 61.300 0.038 0.000 1.193 102 I CB 1.511 39.534 38.000 0.039 0.000 1.345 102 I HN 0.401 nan 8.210 nan 0.000 0.461 103 L N 6.381 127.634 121.223 0.050 0.000 2.265 103 L HA 0.468 4.808 4.340 0.000 0.000 0.288 103 L C 0.861 177.739 176.870 0.014 0.000 1.058 103 L CA 0.060 54.930 54.840 0.051 0.000 0.809 103 L CB 0.928 43.029 42.059 0.070 0.000 1.179 103 L HN 0.565 nan 8.230 nan 0.000 0.429 104 G N 1.534 110.337 108.800 0.005 0.000 2.634 104 G HA2 0.478 4.438 3.960 0.000 0.000 0.255 104 G HA3 0.478 4.438 3.960 0.000 0.000 0.255 104 G C -0.485 174.384 174.900 -0.052 0.000 1.205 104 G CA -0.087 44.997 45.100 -0.026 0.000 0.884 104 G HN 0.598 nan 8.290 nan 0.000 0.549 105 S N -1.122 114.528 115.700 -0.084 0.000 2.565 105 S HA 0.500 4.970 4.470 0.000 0.000 0.269 105 S C -0.409 174.121 174.600 -0.115 0.000 1.153 105 S CA -0.905 57.233 58.200 -0.103 0.000 0.835 105 S CB 1.148 64.276 63.200 -0.121 0.000 1.122 105 S HN 0.584 nan 8.310 nan 0.000 0.462 106 R N 1.495 121.934 120.500 -0.101 0.000 2.811 106 R HA 0.293 4.634 4.340 0.000 0.000 0.265 106 R C -2.491 173.737 176.300 -0.119 0.000 1.026 106 R CA -1.477 54.575 56.100 -0.080 0.000 1.142 106 R CB -1.062 29.205 30.300 -0.055 0.000 1.027 106 R HN 0.497 nan 8.270 nan 0.000 0.465 107 P HA -0.068 nan 4.420 nan 0.000 0.267 107 P C 0.606 177.831 177.300 -0.125 0.000 1.201 107 P CA 0.053 63.077 63.100 -0.127 0.000 0.775 107 P CB 0.393 32.061 31.700 -0.053 0.000 0.854 108 Q N 3.032 122.739 119.800 -0.156 0.000 2.133 108 Q HA -0.296 4.044 4.340 0.000 0.000 0.208 108 Q C 1.947 177.953 176.000 0.010 0.000 0.991 108 Q CA 1.985 57.755 55.803 -0.055 0.000 0.867 108 Q CB -0.170 28.643 28.738 0.126 0.000 0.911 108 Q HN 0.375 nan 8.270 nan 0.000 0.417 109 R N -0.325 120.189 120.500 0.022 0.000 2.159 109 R HA -0.147 4.193 4.340 0.000 0.000 0.237 109 R C 1.335 177.643 176.300 0.013 0.000 1.131 109 R CA 1.780 57.897 56.100 0.027 0.000 0.982 109 R CB -0.276 30.042 30.300 0.029 0.000 0.868 109 R HN 0.391 nan 8.270 nan 0.000 0.453 110 E N 1.076 121.275 120.200 -0.001 0.000 2.385 110 E HA 0.121 4.471 4.350 0.000 0.000 0.194 110 E C 0.164 176.758 176.600 -0.010 0.000 1.013 110 E CA -0.216 56.183 56.400 -0.001 0.000 0.866 110 E CB 0.127 29.826 29.700 -0.001 0.000 0.832 110 E HN 0.281 nan 8.360 nan 0.000 0.500 111 L N 2.275 123.488 121.223 -0.017 0.000 2.525 111 L HA -0.057 4.284 4.340 0.000 0.000 0.278 111 L C 0.539 177.405 176.870 -0.007 0.000 1.218 111 L CA -0.009 54.820 54.840 -0.019 0.000 0.878 111 L CB 0.013 42.062 42.059 -0.017 0.000 1.127 111 L HN 0.233 nan 8.230 nan 0.000 0.492 112 N N 1.555 120.248 118.700 -0.012 0.000 2.936 112 N HA -0.194 4.546 4.740 0.000 0.000 0.236 112 N C 0.608 176.116 175.510 -0.003 0.000 0.930 112 N CA 1.240 54.285 53.050 -0.007 0.000 0.966 112 N CB -0.544 37.943 38.487 0.000 0.000 1.090 112 N HN 0.593 nan 8.380 nan 0.000 0.592 113 M N 0.327 119.926 119.600 -0.002 0.000 2.495 113 M HA 0.083 4.563 4.480 0.000 0.000 0.237 113 M C -0.135 176.167 176.300 0.004 0.000 1.131 113 M CA 0.460 55.763 55.300 0.004 0.000 1.032 113 M CB -0.481 32.124 32.600 0.009 0.000 1.513 113 M HN -0.020 nan 8.290 nan 0.000 0.488 114 D N 1.207 121.604 120.400 -0.004 0.000 2.699 114 D HA -0.126 4.515 4.640 0.000 0.000 0.239 114 D C 0.226 176.532 176.300 0.010 0.000 1.136 114 D CA 0.804 54.801 54.000 -0.005 0.000 0.668 114 D CB -0.885 39.914 40.800 -0.001 0.000 1.060 114 D HN 0.434 nan 8.370 nan 0.000 0.429 115 A N -0.137 122.690 122.820 0.012 0.000 2.257 115 A HA 0.562 4.882 4.320 0.000 0.000 0.290 115 A C 0.238 177.862 177.584 0.067 0.000 1.201 115 A CA -0.512 51.554 52.037 0.049 0.000 0.863 115 A CB 0.289 19.317 19.000 0.047 0.000 1.256 115 A HN 0.176 nan 8.150 nan 0.000 0.506 116 F N 0.281 120.219 119.950 -0.021 0.000 2.578 116 F HA 0.249 4.777 4.527 0.001 0.000 0.381 116 F C 1.225 177.008 175.800 -0.028 0.000 1.069 116 F CA 1.127 59.113 58.000 -0.023 0.000 1.231 116 F CB -0.019 38.968 39.000 -0.021 0.000 1.086 116 F HN 0.800 nan 8.300 nan 0.000 0.564 117 Q N 2.413 121.692 119.800 -0.868 0.000 2.435 117 Q HA -0.289 4.051 4.340 0.000 0.000 0.286 117 Q C -0.737 175.058 176.000 -0.341 0.000 1.229 117 Q CA 1.096 56.464 55.803 -0.726 0.000 0.884 117 Q CB -0.825 27.271 28.738 -1.070 0.000 1.245 117 Q HN 0.750 nan 8.270 nan 0.000 0.488 118 E N 1.007 121.079 120.200 -0.213 0.000 2.145 118 E HA 0.589 4.939 4.350 0.000 0.000 0.270 118 E C -0.770 175.768 176.600 -0.103 0.000 0.906 118 E CA -0.544 55.782 56.400 -0.124 0.000 0.761 118 E CB 0.964 30.622 29.700 -0.070 0.000 1.116 118 E HN 0.408 nan 8.360 nan 0.000 0.408 119 L N 1.911 123.078 121.223 -0.094 0.000 2.720 119 L HA 0.579 4.919 4.340 0.000 0.000 0.261 119 L C -1.030 175.799 176.870 -0.068 0.000 1.046 119 L CA -1.249 53.544 54.840 -0.078 0.000 0.886 119 L CB 1.669 43.675 42.059 -0.090 0.000 1.493 119 L HN 0.232 nan 8.230 nan 0.000 0.407 120 N N 1.134 119.800 118.700 -0.058 0.000 2.402 120 N HA 0.235 4.975 4.740 0.000 0.000 0.252 120 N C -0.148 175.325 175.510 -0.062 0.000 1.118 120 N CA 0.049 53.069 53.050 -0.051 0.000 0.945 120 N CB 0.949 39.411 38.487 -0.041 0.000 1.147 120 N HN 0.784 nan 8.380 nan 0.000 0.495 121 Q N 1.908 121.672 119.800 -0.061 0.000 2.280 121 Q HA 0.086 4.426 4.340 0.000 0.000 0.201 121 Q C 1.036 176.998 176.000 -0.064 0.000 0.890 121 Q CA -0.195 55.564 55.803 -0.073 0.000 0.947 121 Q CB 0.186 28.890 28.738 -0.057 0.000 1.081 121 Q HN 0.642 nan 8.270 nan 0.000 0.502 122 N N 1.563 120.234 118.700 -0.048 0.000 2.188 122 N HA -0.090 4.650 4.740 0.000 0.000 0.184 122 N C -1.012 174.473 175.510 -0.041 0.000 1.018 122 N CA 0.917 53.945 53.050 -0.036 0.000 0.858 122 N CB -0.072 38.395 38.487 -0.033 0.000 0.989 122 N HN 0.157 nan 8.380 nan 0.000 0.426 123 P HA -0.045 nan 4.420 nan 0.000 0.221 123 P C 1.697 178.943 177.300 -0.090 0.000 1.150 123 P CA 0.685 63.754 63.100 -0.053 0.000 0.800 123 P CB -0.031 31.638 31.700 -0.052 0.000 0.787 124 M N -1.553 117.938 119.600 -0.180 0.000 2.113 124 M HA -0.246 4.235 4.480 0.000 0.000 0.255 124 M C 0.597 176.596 176.300 -0.502 0.000 1.073 124 M CA 2.168 57.223 55.300 -0.409 0.000 1.091 124 M CB -0.212 32.026 32.600 -0.603 0.000 1.309 124 M HN -0.043 nan 8.290 nan 0.000 0.407 125 Y N -1.678 118.642 120.300 0.032 0.000 2.682 125 Y HA 0.150 4.700 4.550 0.000 0.000 0.251 125 Y C 1.133 177.024 175.900 -0.015 0.000 1.172 125 Y CA -0.508 57.601 58.100 0.015 0.000 1.186 125 Y CB -0.368 38.086 38.460 -0.009 0.000 1.216 125 Y HN 0.286 nan 8.280 nan 0.000 0.540 126 D N -0.188 120.268 120.400 0.093 0.000 2.149 126 D HA -0.241 4.399 4.640 0.000 0.000 0.198 126 D C 2.101 178.434 176.300 0.055 0.000 0.990 126 D CA 1.692 55.725 54.000 0.054 0.000 0.839 126 D CB 0.148 40.967 40.800 0.031 0.000 0.948 126 D HN 0.416 nan 8.370 nan 0.000 0.460 127 H N -0.168 118.899 119.070 -0.004 0.000 2.387 127 H HA -0.048 4.508 4.556 0.000 0.000 0.299 127 H C 1.894 177.171 175.328 -0.086 0.000 1.090 127 H CA 1.968 58.001 56.048 -0.025 0.000 1.332 127 H CB -0.141 29.627 29.762 0.009 0.000 1.386 127 H HN 0.437 nan 8.280 nan 0.000 0.516 128 I N -2.603 117.833 120.570 -0.223 0.000 3.941 128 I HA 0.440 4.611 4.170 0.000 0.000 0.321 128 I C 0.961 176.936 176.117 -0.238 0.000 1.284 128 I CA -0.073 61.007 61.300 -0.367 0.000 1.226 128 I CB 0.139 37.793 38.000 -0.576 0.000 1.045 128 I HN 0.191 nan 8.210 nan 0.000 0.420 129 A N 1.714 124.458 122.820 -0.128 0.000 2.322 129 A HA 0.464 4.784 4.320 0.000 0.000 0.269 129 A C 1.093 178.643 177.584 -0.057 0.000 1.094 129 A CA 0.101 52.091 52.037 -0.078 0.000 0.807 129 A CB 0.859 19.851 19.000 -0.013 0.000 1.047 129 A HN 0.386 nan 8.150 nan 0.000 0.487 130 V N -1.421 118.479 119.914 -0.024 0.000 3.650 130 V HA 0.357 4.477 4.120 0.000 0.000 0.271 130 V C 0.036 176.200 176.094 0.116 0.000 1.281 130 V CA 0.545 62.851 62.300 0.009 0.000 1.120 130 V CB -1.186 30.628 31.823 -0.014 0.000 0.856 130 V HN 0.766 nan 8.190 nan 0.000 0.443 131 Y N 1.174 121.434 120.300 -0.066 0.000 2.390 131 Y HA 0.647 5.197 4.550 0.000 0.000 0.324 131 Y C -1.190 174.687 175.900 -0.039 0.000 1.151 131 Y CA -1.266 56.801 58.100 -0.053 0.000 1.053 131 Y CB 1.804 40.222 38.460 -0.069 0.000 1.277 131 Y HN 0.222 nan 8.280 nan 0.000 0.432 132 N N 4.597 123.145 118.700 -0.253 0.000 2.701 132 N HA 0.421 5.161 4.740 0.000 0.000 0.258 132 N C -1.972 173.400 175.510 -0.230 0.000 1.262 132 N CA -0.482 52.477 53.050 -0.151 0.000 0.780 132 N CB 0.780 39.236 38.487 -0.052 0.000 1.380 132 N HN 0.681 nan 8.380 nan 0.000 0.548 133 R N 1.160 121.516 120.500 -0.242 0.000 2.744 133 R HA 0.491 4.832 4.340 0.000 0.000 0.279 133 R C -0.705 175.544 176.300 -0.085 0.000 0.977 133 R CA -0.975 55.005 56.100 -0.201 0.000 0.906 133 R CB 2.513 32.618 30.300 -0.324 0.000 1.197 133 R HN 0.302 nan 8.270 nan 0.000 0.463 134 R N 2.193 122.661 120.500 -0.054 0.000 2.229 134 R HA 0.230 4.570 4.340 0.000 0.000 0.332 134 R C -0.657 175.654 176.300 0.018 0.000 0.989 134 R CA -0.464 55.629 56.100 -0.011 0.000 0.842 134 R CB 1.027 31.323 30.300 -0.006 0.000 1.119 134 R HN 0.385 nan 8.270 nan 0.000 0.456 135 V N 5.144 125.093 119.914 0.057 0.000 2.509 135 V HA -0.075 4.045 4.120 0.000 0.000 0.297 135 V C 1.445 177.655 176.094 0.193 0.000 1.014 135 V CA 0.930 63.285 62.300 0.092 0.000 1.127 135 V CB 0.685 32.627 31.823 0.199 0.000 0.925 135 V HN 1.033 nan 8.190 nan 0.000 0.480 136 A N 5.319 128.156 122.820 0.028 0.000 2.016 136 A HA 0.208 4.528 4.320 0.000 0.000 0.217 136 A C 0.627 178.337 177.584 0.210 0.000 1.162 136 A CA 1.084 53.204 52.037 0.140 0.000 0.662 136 A CB -0.030 19.067 19.000 0.161 0.000 0.812 136 A HN 1.106 nan 8.150 nan 0.000 0.450 137 Y N -6.700 113.492 120.300 -0.181 0.000 2.592 137 Y HA 0.628 5.178 4.550 0.001 0.000 0.334 137 Y C 0.820 176.085 175.900 -1.059 0.000 1.136 137 Y CA -1.040 56.691 58.100 -0.614 0.000 1.042 137 Y CB 0.497 38.794 38.460 -0.271 0.000 1.325 137 Y HN 0.022 nan 8.280 nan 0.000 0.457 138 A N 1.131 123.107 122.820 -1.407 0.000 1.903 138 A HA -0.244 4.076 4.320 0.000 0.000 0.219 138 A C 1.573 178.962 177.584 -0.324 0.000 1.191 138 A CA 2.497 53.997 52.037 -0.895 0.000 0.638 138 A CB -0.796 17.950 19.000 -0.423 0.000 0.823 138 A HN 0.929 nan 8.150 nan 0.000 0.451 139 E N -0.056 120.099 120.200 -0.075 0.000 2.267 139 E HA -0.211 4.139 4.350 0.000 0.000 0.197 139 E C 1.993 178.586 176.600 -0.011 0.000 0.998 139 E CA 1.525 57.956 56.400 0.051 0.000 0.830 139 E CB -0.273 29.545 29.700 0.198 0.000 0.751 139 E HN 0.976 nan 8.360 nan 0.000 0.491 140 Q N -0.308 119.326 119.800 -0.275 0.000 2.319 140 Q HA 0.107 4.447 4.340 0.000 0.000 0.202 140 Q C 1.724 177.604 176.000 -0.199 0.000 0.896 140 Q CA -0.076 55.556 55.803 -0.284 0.000 0.942 140 Q CB -0.018 28.359 28.738 -0.601 0.000 1.083 140 Q HN 0.191 nan 8.270 nan 0.000 0.510 141 L N 1.979 123.097 121.223 -0.175 0.000 2.013 141 L HA -0.044 4.296 4.340 0.000 0.000 0.212 141 L C -0.854 175.985 176.870 -0.051 0.000 1.073 141 L CA 1.941 56.735 54.840 -0.075 0.000 0.753 141 L CB -1.044 41.005 42.059 -0.018 0.000 0.890 141 L HN 0.089 nan 8.230 nan 0.000 0.432 142 P HA -0.220 nan 4.420 nan 0.000 0.215 142 P C 1.534 178.821 177.300 -0.022 0.000 1.157 142 P CA 1.662 64.739 63.100 -0.039 0.000 0.868 142 P CB -0.130 31.562 31.700 -0.014 0.000 0.788 143 K N 0.000 120.382 120.400 -0.029 0.000 2.063 143 K HA -0.141 4.180 4.320 0.000 0.000 0.208 143 K C 1.944 178.517 176.600 -0.044 0.000 1.048 143 K CA 1.334 57.583 56.287 -0.065 0.000 0.928 143 K CB -0.590 31.887 32.500 -0.038 0.000 0.713 143 K HN 0.100 nan 8.250 nan 0.000 0.442 144 L N 0.424 121.635 121.223 -0.019 0.000 2.156 144 L HA -0.118 4.223 4.340 0.000 0.000 0.208 144 L C 2.346 179.217 176.870 0.001 0.000 1.095 144 L CA 0.462 55.324 54.840 0.037 0.000 0.770 144 L CB -0.238 41.854 42.059 0.055 0.000 0.914 144 L HN 0.017 nan 8.230 nan 0.000 0.439 145 V N 0.158 120.054 119.914 -0.029 0.000 2.453 145 V HA -0.285 3.836 4.120 0.000 0.000 0.247 145 V C 2.168 178.183 176.094 -0.132 0.000 1.048 145 V CA 2.086 64.349 62.300 -0.062 0.000 1.049 145 V CB -0.364 31.435 31.823 -0.039 0.000 0.672 145 V HN 0.472 nan 8.190 nan 0.000 0.457 146 D N 0.136 120.490 120.400 -0.076 0.000 2.097 146 D HA -0.258 4.382 4.640 0.000 0.000 0.195 146 D C 2.171 178.340 176.300 -0.218 0.000 0.989 146 D CA 1.769 55.748 54.000 -0.036 0.000 0.827 146 D CB -0.058 40.778 40.800 0.060 0.000 0.966 146 D HN 0.540 nan 8.370 nan 0.000 0.456 147 E N -0.700 119.371 120.200 -0.215 0.000 2.150 147 E HA -0.122 4.229 4.350 0.000 0.000 0.193 147 E C 1.970 178.180 176.600 -0.650 0.000 0.985 147 E CA 0.876 57.069 56.400 -0.344 0.000 0.814 147 E CB -0.188 29.368 29.700 -0.240 0.000 0.752 147 E HN 0.344 nan 8.360 nan 0.000 0.466 148 A N 1.112 123.577 122.820 -0.590 0.000 1.908 148 A HA -0.141 4.179 4.320 0.000 0.000 0.218 148 A C 2.387 179.648 177.584 -0.539 0.000 1.181 148 A CA 1.853 53.538 52.037 -0.586 0.000 0.627 148 A CB -0.823 18.043 19.000 -0.223 0.000 0.818 148 A HN 0.416 nan 8.150 nan 0.000 0.445 149 A N -0.259 122.178 122.820 -0.639 0.000 1.873 149 A HA -0.123 4.197 4.320 0.000 0.000 0.215 149 A C 2.226 179.193 177.584 -1.029 0.000 1.186 149 A CA 1.753 53.272 52.037 -0.863 0.000 0.616 149 A CB -0.492 17.713 19.000 -1.325 0.000 0.823 149 A HN 0.574 nan 8.150 nan 0.000 0.442 150 R N -1.172 118.654 120.500 -1.123 0.000 2.091 150 R HA -0.131 4.209 4.340 0.000 0.000 0.238 150 R C 2.010 178.072 176.300 -0.397 0.000 1.136 150 R CA 1.986 57.654 56.100 -0.719 0.000 0.959 150 R CB -0.266 29.858 30.300 -0.294 0.000 0.856 150 R HN 0.391 nan 8.270 nan 0.000 0.437 151 M N 0.054 119.393 119.600 -0.434 0.000 2.156 151 M HA 0.015 4.496 4.480 0.000 0.000 0.264 151 M C 2.431 178.591 176.300 -0.234 0.000 1.067 151 M CA 1.518 56.628 55.300 -0.317 0.000 1.131 151 M CB -0.961 31.369 32.600 -0.450 0.000 1.368 151 M HN 0.344 nan 8.290 nan 0.000 0.416 152 A N 0.766 123.420 122.820 -0.277 0.000 1.883 152 A HA -0.168 4.152 4.320 0.000 0.000 0.217 152 A C 2.230 179.727 177.584 -0.144 0.000 1.186 152 A CA 1.623 53.546 52.037 -0.190 0.000 0.624 152 A CB -0.864 18.013 19.000 -0.205 0.000 0.822 152 A HN 0.458 nan 8.150 nan 0.000 0.444 153 I N -0.662 119.809 120.570 -0.165 0.000 2.233 153 I HA -0.196 3.975 4.170 0.000 0.000 0.243 153 I C 2.965 179.055 176.117 -0.045 0.000 1.093 153 I CA 0.996 62.247 61.300 -0.081 0.000 1.380 153 I CB -0.374 37.600 38.000 -0.045 0.000 1.067 153 I HN 0.341 nan 8.210 nan 0.000 0.413 154 A N 0.486 123.271 122.820 -0.058 0.000 1.930 154 A HA -0.133 4.187 4.320 0.000 0.000 0.217 154 A C 2.058 179.633 177.584 -0.016 0.000 1.175 154 A CA 1.397 53.421 52.037 -0.022 0.000 0.627 154 A CB -0.184 18.802 19.000 -0.023 0.000 0.815 154 A HN 0.190 nan 8.150 nan 0.000 0.443 155 K N -0.750 119.626 120.400 -0.040 0.000 2.404 155 K HA 0.142 4.462 4.320 0.000 0.000 0.194 155 K C -0.159 176.421 176.600 -0.033 0.000 1.023 155 K CA -0.056 56.214 56.287 -0.029 0.000 1.094 155 K CB 0.059 32.538 32.500 -0.035 0.000 0.841 155 K HN 0.519 nan 8.250 nan 0.000 0.523 156 R N 0.415 120.893 120.500 -0.038 0.000 3.127 156 R HA -0.189 4.152 4.340 0.000 0.000 0.247 156 R C 0.392 176.660 176.300 -0.054 0.000 0.896 156 R CA 0.605 56.683 56.100 -0.037 0.000 0.624 156 R CB -1.880 28.410 30.300 -0.016 0.000 1.154 156 R HN 0.477 nan 8.270 nan 0.000 0.474 157 G N -1.253 107.504 108.800 -0.072 0.000 2.561 157 G HA2 0.437 4.397 3.960 0.000 0.000 0.310 157 G HA3 0.437 4.397 3.960 0.000 0.000 0.310 157 G C -0.964 173.875 174.900 -0.101 0.000 1.292 157 G CA -0.629 44.418 45.100 -0.088 0.000 0.811 157 G HN 0.078 nan 8.290 nan 0.000 0.482 158 V N 1.290 121.134 119.914 -0.116 0.000 2.427 158 V HA 0.544 4.664 4.120 0.000 0.000 0.268 158 V C 0.691 176.741 176.094 -0.073 0.000 1.046 158 V CA 0.072 62.298 62.300 -0.122 0.000 0.970 158 V CB 0.539 32.255 31.823 -0.178 0.000 1.001 158 V HN 1.119 nan 8.190 nan 0.000 0.476 159 A N 5.896 128.680 122.820 -0.059 0.000 2.258 159 A HA 0.764 5.084 4.320 0.000 0.000 0.316 159 A C -0.547 177.061 177.584 0.040 0.000 1.279 159 A CA -0.445 51.606 52.037 0.023 0.000 0.876 159 A CB 0.906 19.862 19.000 -0.073 0.000 1.170 159 A HN 0.642 nan 8.150 nan 0.000 0.520 160 V N 3.853 123.823 119.914 0.093 0.000 2.459 160 V HA 0.524 4.644 4.120 0.000 0.000 0.295 160 V C -0.266 175.877 176.094 0.081 0.000 1.029 160 V CA -0.381 61.958 62.300 0.065 0.000 0.874 160 V CB 1.368 33.233 31.823 0.070 0.000 0.985 160 V HN 0.767 nan 8.190 nan 0.000 0.438 161 L N 3.664 124.927 121.223 0.066 0.000 2.409 161 L HA 0.565 4.905 4.340 0.000 0.000 0.272 161 L C -0.245 176.647 176.870 0.037 0.000 0.980 161 L CA -0.366 54.505 54.840 0.053 0.000 0.826 161 L CB 2.327 44.427 42.059 0.068 0.000 1.268 161 L HN 0.700 nan 8.230 nan 0.000 0.407 162 E N 3.111 123.323 120.200 0.021 0.000 2.115 162 E HA 0.439 4.789 4.350 0.000 0.000 0.282 162 E C -1.472 175.124 176.600 -0.006 0.000 0.987 162 E CA -0.583 55.820 56.400 0.005 0.000 0.797 162 E CB 1.516 31.212 29.700 -0.008 0.000 1.086 162 E HN 0.330 nan 8.360 nan 0.000 0.397 163 V N 6.913 126.811 119.914 -0.027 0.000 2.326 163 V HA 0.292 4.412 4.120 0.000 0.000 0.281 163 V C -2.259 173.718 176.094 -0.194 0.000 1.015 163 V CA -2.107 60.162 62.300 -0.053 0.000 0.823 163 V CB 1.130 32.956 31.823 0.005 0.000 1.009 163 V HN 0.754 nan 8.190 nan 0.000 0.436 164 P HA 0.056 nan 4.420 nan 0.000 0.262 164 P C 1.242 178.260 177.300 -0.471 0.000 1.182 164 P CA 0.413 63.154 63.100 -0.597 0.000 0.761 164 P CB 0.814 31.822 31.700 -1.153 0.000 0.795 165 G N 3.032 111.678 108.800 -0.258 0.000 2.527 165 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 165 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 165 G C 0.871 175.715 174.900 -0.094 0.000 1.117 165 G CA 0.500 45.516 45.100 -0.140 0.000 0.759 165 G HN 0.572 nan 8.290 nan 0.000 0.556 166 D N -0.318 120.006 120.400 -0.126 0.000 2.354 166 D HA -0.008 4.633 4.640 0.000 0.000 0.209 166 D C 1.665 178.081 176.300 0.193 0.000 1.015 166 D CA -0.247 53.764 54.000 0.020 0.000 0.867 166 D CB -0.377 40.444 40.800 0.036 0.000 0.933 166 D HN 0.214 nan 8.370 nan 0.000 0.520 167 F N 2.558 122.508 119.950 0.000 0.000 2.102 167 F HA 0.080 4.607 4.527 0.000 0.000 0.298 167 F C 2.814 178.607 175.800 -0.011 0.000 1.105 167 F CA 0.469 58.468 58.000 -0.000 0.000 1.239 167 F CB -1.279 37.715 39.000 -0.009 0.000 0.991 167 F HN 0.066 nan 8.300 nan 0.000 0.474 168 A N -0.212 122.714 122.820 0.177 0.000 2.125 168 A HA -0.182 4.138 4.320 0.000 0.000 0.219 168 A C 2.163 179.771 177.584 0.040 0.000 1.156 168 A CA 1.239 53.318 52.037 0.071 0.000 0.671 168 A CB -0.711 18.306 19.000 0.029 0.000 0.794 168 A HN 0.366 nan 8.150 nan 0.000 0.459 169 K N -0.428 120.006 120.400 0.058 0.000 2.296 169 K HA 0.111 4.431 4.320 0.000 0.000 0.200 169 K C 0.163 176.785 176.600 0.037 0.000 1.048 169 K CA 0.102 56.411 56.287 0.037 0.000 0.966 169 K CB -0.044 32.480 32.500 0.039 0.000 0.754 169 K HN 0.315 nan 8.250 nan 0.000 0.466 170 V N 2.416 122.362 119.914 0.052 0.000 2.843 170 V HA -0.023 4.097 4.120 0.000 0.000 0.305 170 V C 0.337 176.443 176.094 0.018 0.000 1.065 170 V CA -0.079 62.244 62.300 0.038 0.000 1.116 170 V CB 1.068 32.913 31.823 0.037 0.000 0.968 170 V HN 0.228 nan 8.190 nan 0.000 0.487 171 E N 3.812 124.024 120.200 0.020 0.000 2.202 171 E HA 0.735 5.085 4.350 0.000 0.000 0.272 171 E C -0.883 175.736 176.600 0.032 0.000 0.951 171 E CA -0.681 55.732 56.400 0.020 0.000 0.813 171 E CB 1.716 31.430 29.700 0.023 0.000 1.151 171 E HN 0.664 nan 8.360 nan 0.000 0.398 172 I N -0.935 119.663 120.570 0.047 0.000 3.279 172 I HA 0.518 4.688 4.170 0.000 0.000 0.315 172 I C -1.047 175.134 176.117 0.106 0.000 1.187 172 I CA -1.280 60.066 61.300 0.076 0.000 0.953 172 I CB 1.938 39.996 38.000 0.097 0.000 1.279 172 I HN 0.249 nan 8.210 nan 0.000 0.465 173 D N 2.286 122.755 120.400 0.116 0.000 2.350 173 D HA 0.098 4.739 4.640 0.000 0.000 0.249 173 D C 0.580 176.999 176.300 0.199 0.000 1.119 173 D CA 0.251 54.324 54.000 0.121 0.000 0.886 173 D CB 1.192 42.043 40.800 0.085 0.000 1.195 173 D HN 0.681 nan 8.370 nan 0.000 0.437 174 N N 1.307 120.127 118.700 0.199 0.000 2.272 174 N HA -0.183 4.557 4.740 0.000 0.000 0.185 174 N C 0.850 176.402 175.510 0.071 0.000 1.014 174 N CA 1.000 54.226 53.050 0.293 0.000 0.870 174 N CB 0.164 38.782 38.487 0.217 0.000 0.975 174 N HN 0.421 nan 8.380 nan 0.000 0.433 175 D N -1.132 119.285 120.400 0.028 0.000 2.336 175 D HA -0.063 4.577 4.640 0.000 0.000 0.229 175 D C 0.249 176.551 176.300 0.002 0.000 1.061 175 D CA 0.323 54.291 54.000 -0.054 0.000 0.875 175 D CB -0.075 40.708 40.800 -0.029 0.000 0.904 175 D HN 0.253 nan 8.370 nan 0.000 0.525 176 Q N 0.565 120.432 119.800 0.111 0.000 2.201 176 Q HA 0.151 4.491 4.340 0.000 0.000 0.217 176 Q C -0.315 175.860 176.000 0.292 0.000 0.860 176 Q CA -0.121 55.787 55.803 0.174 0.000 0.984 176 Q CB 0.444 29.284 28.738 0.170 0.000 1.095 176 Q HN 0.560 nan 8.270 nan 0.000 0.477 177 W N 0.218 121.585 121.300 0.113 0.000 3.146 177 W HA 0.538 5.198 4.660 0.000 0.000 0.319 177 W C -1.978 174.653 176.519 0.186 0.000 1.258 177 W CA -1.249 56.151 57.345 0.093 0.000 1.189 177 W CB 0.417 29.897 29.460 0.033 0.000 1.412 177 W HN -0.004 nan 8.180 nan 0.000 0.567 178 Y N -0.370 120.008 120.300 0.130 0.000 2.677 178 Y HA 0.646 5.197 4.550 0.000 0.000 0.334 178 Y C -1.595 174.429 175.900 0.207 0.000 1.196 178 Y CA -1.180 56.846 58.100 -0.124 0.000 1.059 178 Y CB 1.020 39.380 38.460 -0.167 0.000 1.315 178 Y HN 0.546 nan 8.280 nan 0.000 0.455 179 S N 0.533 116.386 115.700 0.256 0.000 2.501 179 S HA 0.502 4.972 4.470 0.000 0.000 0.301 179 S C 0.163 174.906 174.600 0.238 0.000 1.096 179 S CA -0.071 58.263 58.200 0.222 0.000 1.063 179 S CB 1.003 64.317 63.200 0.191 0.000 1.042 179 S HN 1.214 nan 8.310 nan 0.000 0.494 180 S N 3.422 119.264 115.700 0.237 0.000 2.572 180 S HA 0.300 4.771 4.470 0.000 0.000 0.228 180 S C 1.546 176.052 174.600 -0.157 0.000 0.963 180 S CA 0.101 58.426 58.200 0.208 0.000 0.939 180 S CB 0.065 63.478 63.200 0.355 0.000 0.804 180 S HN 0.869 nan 8.310 nan 0.000 0.480 181 A N 4.031 126.436 122.820 -0.693 0.000 1.978 181 A HA -0.194 4.126 4.320 0.000 0.000 0.220 181 A C 2.228 179.394 177.584 -0.697 0.000 1.170 181 A CA 1.640 52.751 52.037 -1.543 0.000 0.636 181 A CB -0.842 17.172 19.000 -1.643 0.000 0.810 181 A HN 0.793 nan 8.150 nan 0.000 0.448 182 N N -0.027 118.451 118.700 -0.371 0.000 2.381 182 N HA -0.072 4.668 4.740 0.000 0.000 0.182 182 N C 0.986 176.401 175.510 -0.158 0.000 1.025 182 N CA 1.600 54.521 53.050 -0.214 0.000 0.888 182 N CB -0.506 37.900 38.487 -0.136 0.000 0.965 182 N HN 0.287 nan 8.380 nan 0.000 0.438 183 S N 0.402 116.017 115.700 -0.141 0.000 2.605 183 S HA 0.153 4.624 4.470 0.000 0.000 0.217 183 S C 0.452 175.018 174.600 -0.056 0.000 0.958 183 S CA -0.695 57.464 58.200 -0.069 0.000 0.919 183 S CB -0.154 63.040 63.200 -0.010 0.000 0.780 183 S HN 0.302 nan 8.310 nan 0.000 0.507 184 L N 3.797 124.952 121.223 -0.112 0.000 2.513 184 L HA 0.212 4.552 4.340 0.000 0.000 0.272 184 L C -0.044 176.806 176.870 -0.034 0.000 1.187 184 L CA 0.835 55.658 54.840 -0.029 0.000 0.895 184 L CB 0.087 42.109 42.059 -0.062 0.000 1.147 184 L HN -0.004 nan 8.230 nan 0.000 0.483 185 R N 4.720 125.202 120.500 -0.030 0.000 2.698 185 R HA 0.557 4.897 4.340 0.000 0.000 0.275 185 R C -1.092 175.139 176.300 -0.115 0.000 1.001 185 R CA -0.904 55.148 56.100 -0.080 0.000 0.896 185 R CB 1.972 32.201 30.300 -0.117 0.000 1.218 185 R HN 0.632 nan 8.270 nan 0.000 0.462 186 K N 1.359 121.690 120.400 -0.116 0.000 2.435 186 K HA 0.419 4.740 4.320 0.000 0.000 0.251 186 K C -1.028 175.503 176.600 -0.116 0.000 0.954 186 K CA -0.854 55.368 56.287 -0.108 0.000 0.820 186 K CB 1.873 34.369 32.500 -0.006 0.000 1.292 186 K HN 0.292 nan 8.250 nan 0.000 0.436 187 Y N 1.196 121.511 120.300 0.025 0.000 2.442 187 Y HA 0.185 4.736 4.550 0.000 0.000 0.330 187 Y C 0.788 176.699 175.900 0.018 0.000 1.129 187 Y CA -0.130 57.981 58.100 0.019 0.000 1.365 187 Y CB 0.707 39.177 38.460 0.016 0.000 1.233 187 Y HN 0.640 nan 8.280 nan 0.000 0.529 188 A N 5.633 128.578 122.820 0.208 0.000 2.313 188 A HA 0.473 4.793 4.320 0.000 0.000 0.261 188 A C -2.275 175.367 177.584 0.097 0.000 1.090 188 A CA -1.583 50.525 52.037 0.117 0.000 0.807 188 A CB -0.536 18.516 19.000 0.087 0.000 1.055 188 A HN 0.602 nan 8.150 nan 0.000 0.492 189 P HA 0.040 nan 4.420 nan 0.000 0.261 189 P C -0.657 176.650 177.300 0.011 0.000 1.173 189 P CA 0.353 63.473 63.100 0.033 0.000 0.760 189 P CB 0.095 31.808 31.700 0.021 0.000 0.783 190 I N 2.468 123.032 120.570 -0.010 0.000 2.352 190 I HA 0.242 4.412 4.170 0.000 0.000 0.290 190 I C 0.887 176.982 176.117 -0.036 0.000 1.036 190 I CA -1.013 60.267 61.300 -0.033 0.000 1.336 190 I CB 0.297 38.262 38.000 -0.057 0.000 1.407 190 I HN 0.338 nan 8.210 nan 0.000 0.497 191 A N 10.004 132.804 122.820 -0.033 0.000 2.450 191 A HA 0.494 4.814 4.320 0.000 0.000 0.255 191 A C -1.926 175.636 177.584 -0.037 0.000 1.096 191 A CA -0.848 51.169 52.037 -0.034 0.000 0.778 191 A CB -0.499 18.485 19.000 -0.026 0.000 1.031 191 A HN 0.570 nan 8.150 nan 0.000 0.494 192 P HA 0.348 nan 4.420 nan 0.000 0.274 192 P C -0.315 176.966 177.300 -0.031 0.000 1.237 192 P CA -0.170 62.908 63.100 -0.037 0.000 0.793 192 P CB 0.925 32.601 31.700 -0.040 0.000 0.977 193 A N 1.670 124.473 122.820 -0.028 0.000 2.454 193 A HA 0.413 4.734 4.320 0.000 0.000 0.260 193 A C 1.647 179.218 177.584 -0.022 0.000 1.106 193 A CA 0.165 52.188 52.037 -0.023 0.000 0.780 193 A CB -0.239 18.748 19.000 -0.021 0.000 1.044 193 A HN 0.608 nan 8.150 nan 0.000 0.498 194 A N 1.707 124.516 122.820 -0.020 0.000 1.948 194 A HA -0.241 4.079 4.320 0.000 0.000 0.220 194 A C 2.032 179.607 177.584 -0.017 0.000 1.177 194 A CA 1.994 54.020 52.037 -0.018 0.000 0.636 194 A CB -0.592 18.399 19.000 -0.016 0.000 0.815 194 A HN 0.970 nan 8.150 nan 0.000 0.449 195 Q N -0.563 119.228 119.800 -0.015 0.000 2.096 195 Q HA -0.246 4.095 4.340 0.000 0.000 0.204 195 Q C 1.157 177.148 176.000 -0.014 0.000 0.982 195 Q CA 1.955 57.750 55.803 -0.013 0.000 0.850 195 Q CB -0.184 28.547 28.738 -0.011 0.000 0.901 195 Q HN 0.650 nan 8.270 nan 0.000 0.422 196 D N 0.185 120.575 120.400 -0.016 0.000 2.183 196 D HA -0.093 4.547 4.640 0.000 0.000 0.203 196 D C 1.941 178.228 176.300 -0.021 0.000 0.969 196 D CA 0.559 54.548 54.000 -0.018 0.000 0.842 196 D CB 0.036 40.825 40.800 -0.019 0.000 0.957 196 D HN 0.295 nan 8.370 nan 0.000 0.484 197 I N 1.641 122.198 120.570 -0.023 0.000 2.252 197 I HA -0.192 3.978 4.170 0.000 0.000 0.245 197 I C 1.678 177.782 176.117 -0.021 0.000 1.102 197 I CA 1.210 62.495 61.300 -0.025 0.000 1.385 197 I CB -0.760 37.224 38.000 -0.026 0.000 1.064 197 I HN -0.087 nan 8.210 nan 0.000 0.414 198 D N 1.140 121.529 120.400 -0.018 0.000 2.144 198 D HA -0.095 4.545 4.640 0.000 0.000 0.199 198 D C 2.269 178.561 176.300 -0.014 0.000 0.984 198 D CA 1.455 55.446 54.000 -0.015 0.000 0.834 198 D CB -0.037 40.755 40.800 -0.013 0.000 0.955 198 D HN 0.286 nan 8.370 nan 0.000 0.465 199 A N 0.882 123.694 122.820 -0.013 0.000 1.930 199 A HA 0.003 4.324 4.320 0.000 0.000 0.217 199 A C 2.284 179.859 177.584 -0.014 0.000 1.175 199 A CA 1.962 53.993 52.037 -0.011 0.000 0.627 199 A CB -0.571 18.424 19.000 -0.009 0.000 0.815 199 A HN 0.229 nan 8.150 nan 0.000 0.443 200 A N -0.578 122.230 122.820 -0.019 0.000 1.898 200 A HA 0.030 4.351 4.320 0.000 0.000 0.216 200 A C 2.211 179.781 177.584 -0.022 0.000 1.181 200 A CA 1.657 53.679 52.037 -0.025 0.000 0.620 200 A CB -0.890 18.091 19.000 -0.032 0.000 0.819 200 A HN 0.353 nan 8.150 nan 0.000 0.442 201 V N 0.071 119.973 119.914 -0.020 0.000 2.343 201 V HA -0.284 3.837 4.120 0.000 0.000 0.247 201 V C 2.528 178.613 176.094 -0.015 0.000 1.051 201 V CA 2.380 64.669 62.300 -0.018 0.000 1.036 201 V CB -0.677 31.136 31.823 -0.017 0.000 0.654 201 V HN 0.774 nan 8.190 nan 0.000 0.451 202 E N -0.077 120.115 120.200 -0.013 0.000 2.058 202 E HA -0.222 4.129 4.350 0.000 0.000 0.194 202 E C 2.258 178.851 176.600 -0.011 0.000 0.997 202 E CA 1.456 57.849 56.400 -0.011 0.000 0.801 202 E CB -0.126 29.569 29.700 -0.008 0.000 0.746 202 E HN 0.552 nan 8.360 nan 0.000 0.450 203 L N 0.469 121.685 121.223 -0.012 0.000 2.046 203 L HA -0.203 4.137 4.340 0.000 0.000 0.208 203 L C 2.615 179.475 176.870 -0.016 0.000 1.077 203 L CA 0.856 55.688 54.840 -0.012 0.000 0.747 203 L CB -0.370 41.681 42.059 -0.013 0.000 0.896 203 L HN 0.273 nan 8.230 nan 0.000 0.432 204 L N -0.454 120.759 121.223 -0.017 0.000 2.046 204 L HA -0.241 4.099 4.340 0.000 0.000 0.208 204 L C 2.164 179.026 176.870 -0.012 0.000 1.077 204 L CA 1.606 56.438 54.840 -0.013 0.000 0.747 204 L CB -0.659 41.393 42.059 -0.011 0.000 0.896 204 L HN 0.375 nan 8.230 nan 0.000 0.432 205 N N 0.080 118.772 118.700 -0.014 0.000 2.166 205 N HA -0.182 4.559 4.740 0.000 0.000 0.186 205 N C 1.139 176.640 175.510 -0.014 0.000 1.019 205 N CA 1.380 54.421 53.050 -0.014 0.000 0.856 205 N CB -0.113 38.366 38.487 -0.014 0.000 0.993 205 N HN 0.463 nan 8.380 nan 0.000 0.426 206 N N -0.294 118.396 118.700 -0.016 0.000 2.336 206 N HA 0.016 4.756 4.740 0.000 0.000 0.189 206 N C -0.258 175.236 175.510 -0.026 0.000 1.113 206 N CA -0.272 52.767 53.050 -0.017 0.000 0.858 206 N CB 0.489 38.968 38.487 -0.014 0.000 0.970 206 N HN -0.031 nan 8.380 nan 0.000 0.471 207 S N 0.613 116.294 115.700 -0.031 0.000 2.565 207 S HA 0.170 4.641 4.470 0.000 0.000 0.274 207 S C 1.001 175.557 174.600 -0.072 0.000 1.309 207 S CA -0.402 57.765 58.200 -0.055 0.000 1.043 207 S CB 1.079 64.247 63.200 -0.054 0.000 0.939 207 S HN 0.105 nan 8.310 nan 0.000 0.504 208 K N 2.736 123.066 120.400 -0.118 0.000 2.323 208 K HA 0.188 4.508 4.320 0.000 0.000 0.197 208 K C 0.255 176.672 176.600 -0.305 0.000 1.043 208 K CA 0.474 56.679 56.287 -0.136 0.000 0.997 208 K CB 0.239 32.669 32.500 -0.118 0.000 0.807 208 K HN 0.497 nan 8.250 nan 0.000 0.497 209 R N 1.448 121.653 120.500 -0.491 0.000 2.644 209 R HA 0.196 4.536 4.340 0.000 0.000 0.271 209 R C -2.784 173.192 176.300 -0.539 0.000 1.687 209 R CA -1.337 54.064 56.100 -1.166 0.000 1.655 209 R CB 1.317 30.654 30.300 -1.604 0.000 1.285 209 R HN 0.030 nan 8.270 nan 0.000 0.643 210 P HA 0.178 nan 4.420 nan 0.000 0.278 210 P C -0.595 176.911 177.300 0.343 0.000 1.238 210 P CA -0.291 62.875 63.100 0.110 0.000 0.794 210 P CB 2.103 33.864 31.700 0.103 0.000 0.955 211 V N 4.064 124.119 119.914 0.235 0.000 2.808 211 V HA 0.437 4.557 4.120 0.000 0.000 0.308 211 V C -0.831 175.345 176.094 0.135 0.000 1.099 211 V CA -1.030 61.413 62.300 0.239 0.000 0.920 211 V CB 1.938 33.924 31.823 0.273 0.000 1.014 211 V HN 0.327 nan 8.190 nan 0.000 0.425 212 I N 6.556 127.179 120.570 0.088 0.000 2.321 212 I HA 0.362 4.532 4.170 0.000 0.000 0.291 212 I C -1.343 174.796 176.117 0.036 0.000 0.998 212 I CA -0.560 60.776 61.300 0.059 0.000 1.227 212 I CB 1.354 39.381 38.000 0.044 0.000 1.368 212 I HN 0.631 nan 8.210 nan 0.000 0.466 213 Y N 6.467 126.758 120.300 -0.014 0.000 2.478 213 Y HA 0.623 5.173 4.550 0.000 0.000 0.329 213 Y C 0.015 175.864 175.900 -0.086 0.000 0.967 213 Y CA -1.048 57.044 58.100 -0.012 0.000 1.255 213 Y CB 1.161 39.739 38.460 0.196 0.000 1.103 213 Y HN 0.579 nan 8.280 nan 0.000 0.497 214 A N 4.009 126.891 122.820 0.103 0.000 2.260 214 A HA 0.743 5.063 4.320 0.000 0.000 0.314 214 A C 0.410 178.026 177.584 0.053 0.000 1.257 214 A CA 0.077 52.163 52.037 0.081 0.000 0.871 214 A CB 0.158 19.289 19.000 0.218 0.000 1.166 214 A HN 0.861 nan 8.150 nan 0.000 0.522 215 G N 0.641 109.419 108.800 -0.036 0.000 2.642 215 G HA2 0.456 4.417 3.960 0.000 0.000 0.291 215 G HA3 0.456 4.417 3.960 0.000 0.000 0.291 215 G C 0.927 175.812 174.900 -0.025 0.000 1.345 215 G CA -0.219 44.865 45.100 -0.026 0.000 1.043 215 G HN 1.186 nan 8.290 nan 0.000 0.528 216 I N -1.811 118.759 120.570 -0.000 0.000 3.010 216 I HA 0.049 4.219 4.170 0.000 0.000 0.271 216 I C 1.953 178.067 176.117 -0.005 0.000 1.293 216 I CA 1.029 62.329 61.300 0.000 0.000 1.452 216 I CB -0.289 37.732 38.000 0.035 0.000 1.082 216 I HN 0.392 nan 8.210 nan 0.000 0.484 217 G N 1.644 110.434 108.800 -0.017 0.000 2.470 217 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 217 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 217 G C 1.541 176.457 174.900 0.028 0.000 1.121 217 G CA 1.160 46.257 45.100 -0.005 0.000 0.766 217 G HN 0.595 nan 8.290 nan 0.000 0.553 218 T N -1.741 112.817 114.554 0.007 0.000 3.144 218 T HA 0.367 4.718 4.350 0.000 0.000 0.249 218 T C 1.150 175.846 174.700 -0.008 0.000 1.089 218 T CA -0.354 61.773 62.100 0.045 0.000 0.989 218 T CB -0.084 68.771 68.868 -0.021 0.000 0.992 218 T HN -0.031 nan 8.240 nan 0.000 0.540 219 M N 2.049 121.618 119.600 -0.052 0.000 2.261 219 M HA 0.238 4.718 4.480 0.000 0.000 0.350 219 M C 1.750 177.884 176.300 -0.277 0.000 1.343 219 M CA 1.700 56.919 55.300 -0.135 0.000 1.003 219 M CB -0.277 32.284 32.600 -0.065 0.000 1.848 219 M HN 0.704 nan 8.290 nan 0.000 0.456 220 G N 3.342 111.925 108.800 -0.362 0.000 2.195 220 G HA2 -0.264 3.696 3.960 0.000 0.000 0.246 220 G HA3 -0.264 3.696 3.960 0.000 0.000 0.246 220 G C 0.207 174.639 174.900 -0.781 0.000 0.984 220 G CA 0.328 45.096 45.100 -0.554 0.000 0.633 220 G HN 0.849 nan 8.290 nan 0.000 0.525 221 H N -0.544 118.449 119.070 -0.127 0.000 2.575 221 H HA 0.455 5.011 4.556 0.000 0.000 0.256 221 H C 2.012 177.236 175.328 -0.174 0.000 1.162 221 H CA 0.340 56.316 56.048 -0.120 0.000 0.969 221 H CB 0.485 30.195 29.762 -0.088 0.000 1.796 221 H HN 0.311 nan 8.280 nan 0.000 0.607 222 G N 1.989 110.649 108.800 -0.232 0.000 2.421 222 G HA2 -0.183 3.778 3.960 0.000 0.000 0.216 222 G HA3 -0.183 3.778 3.960 0.000 0.000 0.216 222 G C -0.710 174.084 174.900 -0.177 0.000 1.171 222 G CA 0.486 45.373 45.100 -0.355 0.000 0.775 222 G HN 0.289 nan 8.290 nan 0.000 0.543 223 P HA -0.066 nan 4.420 nan 0.000 0.215 223 P C 2.204 179.471 177.300 -0.056 0.000 1.153 223 P CA 2.002 65.049 63.100 -0.087 0.000 0.853 223 P CB -0.116 31.550 31.700 -0.055 0.000 0.788 224 A N -0.768 122.039 122.820 -0.022 0.000 1.898 224 A HA -0.144 4.176 4.320 0.000 0.000 0.216 224 A C 2.307 179.891 177.584 -0.001 0.000 1.181 224 A CA 1.712 53.748 52.037 -0.001 0.000 0.620 224 A CB -1.669 17.344 19.000 0.022 0.000 0.819 224 A HN 0.026 nan 8.150 nan 0.000 0.442 225 V N 0.116 120.036 119.914 0.009 0.000 2.343 225 V HA -0.308 3.812 4.120 0.000 0.000 0.247 225 V C 2.602 178.711 176.094 0.025 0.000 1.051 225 V CA 2.188 64.520 62.300 0.054 0.000 1.036 225 V CB -0.947 30.972 31.823 0.160 0.000 0.654 225 V HN 0.638 nan 8.190 nan 0.000 0.451 226 Q N -0.339 119.410 119.800 -0.085 0.000 2.170 226 Q HA -0.253 4.087 4.340 0.000 0.000 0.203 226 Q C 2.308 178.296 176.000 -0.019 0.000 0.976 226 Q CA 1.726 57.354 55.803 -0.292 0.000 0.858 226 Q CB -0.140 28.203 28.738 -0.658 0.000 0.907 226 Q HN 0.743 nan 8.270 nan 0.000 0.433 227 E N 0.687 120.880 120.200 -0.011 0.000 2.072 227 E HA -0.193 4.157 4.350 0.000 0.000 0.191 227 E C 1.957 178.573 176.600 0.026 0.000 0.985 227 E CA 0.540 56.953 56.400 0.021 0.000 0.801 227 E CB 0.061 29.763 29.700 0.003 0.000 0.750 227 E HN 0.199 nan 8.360 nan 0.000 0.452 228 L N 0.885 122.122 121.223 0.024 0.000 2.056 228 L HA -0.054 4.287 4.340 0.000 0.000 0.207 228 L C 2.248 179.142 176.870 0.040 0.000 1.078 228 L CA 2.135 56.987 54.840 0.020 0.000 0.749 228 L CB -0.750 41.321 42.059 0.019 0.000 0.901 228 L HN 0.162 nan 8.230 nan 0.000 0.433 229 A N -0.207 122.677 122.820 0.107 0.000 1.883 229 A HA -0.249 4.072 4.320 0.000 0.000 0.217 229 A C 2.446 180.081 177.584 0.085 0.000 1.186 229 A CA 2.066 54.225 52.037 0.204 0.000 0.624 229 A CB -0.576 18.664 19.000 0.401 0.000 0.822 229 A HN 0.531 nan 8.150 nan 0.000 0.444 230 R N -0.765 119.788 120.500 0.088 0.000 2.090 230 R HA -0.076 4.264 4.340 0.000 0.000 0.228 230 R C 2.376 178.516 176.300 -0.265 0.000 1.110 230 R CA 1.433 57.444 56.100 -0.147 0.000 0.973 230 R CB -0.256 30.084 30.300 0.067 0.000 0.869 230 R HN 0.625 nan 8.270 nan 0.000 0.440 231 K N 1.548 121.872 120.400 -0.126 0.000 2.026 231 K HA -0.135 4.186 4.320 0.000 0.000 0.208 231 K C 1.840 178.348 176.600 -0.153 0.000 1.048 231 K CA 1.670 57.886 56.287 -0.119 0.000 0.929 231 K CB -0.031 32.433 32.500 -0.060 0.000 0.713 231 K HN 0.300 nan 8.250 nan 0.000 0.439 232 I N -2.769 117.723 120.570 -0.131 0.000 3.928 232 I HA 0.156 4.326 4.170 0.000 0.000 0.335 232 I C -0.714 175.316 176.117 -0.145 0.000 1.325 232 I CA -0.399 60.840 61.300 -0.103 0.000 1.107 232 I CB 0.445 38.428 38.000 -0.029 0.000 1.014 232 I HN -0.032 nan 8.210 nan 0.000 0.400 233 K N 1.577 121.748 120.400 -0.382 0.000 3.244 233 K HA -0.149 4.171 4.320 0.000 0.000 0.270 233 K C -0.134 176.552 176.600 0.144 0.000 1.016 233 K CA 0.969 56.861 56.287 -0.658 0.000 0.754 233 K CB -1.977 30.185 32.500 -0.564 0.000 1.326 233 K HN 0.677 nan 8.250 nan 0.000 0.465 234 A N 0.790 123.769 122.820 0.266 0.000 2.291 234 A HA 0.628 4.948 4.320 0.000 0.000 0.311 234 A C -2.302 175.547 177.584 0.442 0.000 1.224 234 A CA -1.600 50.681 52.037 0.407 0.000 0.821 234 A CB 1.141 20.287 19.000 0.244 0.000 1.172 234 A HN -0.062 nan 8.150 nan 0.000 0.494 235 P HA 0.245 nan 4.420 nan 0.000 0.270 235 P C -0.547 176.730 177.300 -0.038 0.000 1.223 235 P CA -0.083 62.996 63.100 -0.035 0.000 0.785 235 P CB 0.691 32.211 31.700 -0.301 0.000 0.923 236 V N 3.167 122.979 119.914 -0.169 0.000 2.513 236 V HA 0.408 4.528 4.120 0.000 0.000 0.299 236 V C 0.276 176.069 176.094 -0.501 0.000 1.035 236 V CA -0.387 61.738 62.300 -0.291 0.000 0.889 236 V CB 1.271 32.859 31.823 -0.392 0.000 0.988 236 V HN 0.360 nan 8.190 nan 0.000 0.440 237 I N 3.241 123.481 120.570 -0.550 0.000 2.474 237 I HA 0.526 4.697 4.170 0.000 0.000 0.294 237 I C 0.096 175.728 176.117 -0.808 0.000 1.005 237 I CA -0.174 60.660 61.300 -0.777 0.000 1.113 237 I CB 2.343 39.749 38.000 -0.990 0.000 1.289 237 I HN 0.640 nan 8.210 nan 0.000 0.436 238 T N 2.829 116.871 114.554 -0.853 0.000 2.910 238 T HA 0.581 4.931 4.350 0.000 0.000 0.287 238 T C -0.222 174.171 174.700 -0.511 0.000 1.050 238 T CA -0.378 61.344 62.100 -0.630 0.000 1.011 238 T CB 1.602 70.007 68.868 -0.772 0.000 1.195 238 T HN 0.746 nan 8.240 nan 0.000 0.540 239 T N -0.744 113.675 114.554 -0.225 0.000 2.927 239 T HA 0.512 4.862 4.350 0.000 0.000 0.281 239 T C 1.612 176.341 174.700 0.049 0.000 0.998 239 T CA -0.114 62.000 62.100 0.022 0.000 1.019 239 T CB 0.907 69.889 68.868 0.190 0.000 1.061 239 T HN 0.698 nan 8.240 nan 0.000 0.518 240 G N -0.017 108.935 108.800 0.255 0.000 2.498 240 G HA2 -0.115 3.845 3.960 0.000 0.000 0.219 240 G HA3 -0.115 3.845 3.960 0.000 0.000 0.219 240 G C 1.227 176.210 174.900 0.137 0.000 1.119 240 G CA 0.252 45.519 45.100 0.278 0.000 0.766 240 G HN 0.765 nan 8.290 nan 0.000 0.552 241 K N -0.693 119.815 120.400 0.180 0.000 2.361 241 K HA 0.104 4.424 4.320 0.000 0.000 0.194 241 K C 1.187 177.858 176.600 0.117 0.000 1.032 241 K CA 0.010 56.422 56.287 0.207 0.000 1.048 241 K CB 0.319 32.961 32.500 0.237 0.000 0.842 241 K HN 0.129 nan 8.250 nan 0.000 0.526 242 N N -0.068 118.653 118.700 0.034 0.000 2.275 242 N HA 0.143 4.883 4.740 0.000 0.000 0.236 242 N C 0.346 175.814 175.510 -0.069 0.000 1.154 242 N CA -0.107 52.929 53.050 -0.023 0.000 0.866 242 N CB 0.102 38.567 38.487 -0.037 0.000 1.093 242 N HN -0.058 nan 8.380 nan 0.000 0.515 243 F N 1.279 121.145 119.950 -0.139 0.000 2.171 243 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 243 F C 2.290 178.097 175.800 0.011 0.000 1.090 243 F CA 1.277 59.232 58.000 -0.075 0.000 1.293 243 F CB 0.026 38.878 39.000 -0.247 0.000 1.013 243 F HN 0.352 nan 8.300 nan 0.000 0.486 244 E N -0.810 119.479 120.200 0.147 0.000 2.265 244 E HA -0.177 4.174 4.350 0.000 0.000 0.196 244 E C 1.611 178.210 176.600 -0.002 0.000 0.996 244 E CA 1.628 58.108 56.400 0.134 0.000 0.832 244 E CB -0.830 28.978 29.700 0.180 0.000 0.756 244 E HN 0.264 nan 8.360 nan 0.000 0.491 245 T N 0.237 114.679 114.554 -0.187 0.000 2.962 245 T HA -0.012 4.338 4.350 0.000 0.000 0.270 245 T C -0.104 174.175 174.700 -0.702 0.000 1.088 245 T CA 0.786 62.584 62.100 -0.503 0.000 1.127 245 T CB -0.183 68.223 68.868 -0.771 0.000 0.883 245 T HN 0.087 nan 8.240 nan 0.000 0.493 246 F N 0.927 120.842 119.950 -0.057 0.000 2.507 246 F HA 0.431 4.959 4.527 0.000 0.000 0.327 246 F C 0.374 176.189 175.800 0.024 0.000 1.068 246 F CA -1.692 56.258 58.000 -0.084 0.000 0.965 246 F CB 0.882 39.804 39.000 -0.130 0.000 1.192 246 F HN -0.269 nan 8.300 nan 0.000 0.476 247 E N 2.889 123.199 120.200 0.183 0.000 2.324 247 E HA -0.071 4.280 4.350 0.000 0.000 0.271 247 E C 0.988 177.688 176.600 0.168 0.000 1.028 247 E CA -0.108 56.373 56.400 0.134 0.000 0.890 247 E CB 0.489 30.202 29.700 0.022 0.000 1.004 247 E HN 0.830 nan 8.360 nan 0.000 0.431 248 W N 5.025 126.445 121.300 0.199 0.000 2.331 248 W HA -0.192 4.468 4.660 0.000 0.000 0.291 248 W C 0.304 176.934 176.519 0.184 0.000 1.214 248 W CA 1.340 58.819 57.345 0.223 0.000 1.228 248 W CB -0.391 29.168 29.460 0.164 0.000 1.135 248 W HN 0.354 nan 8.180 nan 0.000 0.537 249 D N -0.388 119.411 120.400 -1.001 0.000 2.427 249 D HA -0.002 4.638 4.640 0.000 0.000 0.224 249 D C 0.137 176.224 176.300 -0.354 0.000 1.157 249 D CA -0.805 52.621 54.000 -0.956 0.000 0.828 249 D CB -1.414 38.361 40.800 -1.708 0.000 0.974 249 D HN -0.051 nan 8.370 nan 0.000 0.498 250 F N 3.151 122.939 119.950 -0.270 0.000 2.602 250 F HA 0.031 4.558 4.527 0.000 0.000 0.385 250 F C 1.699 177.396 175.800 -0.171 0.000 1.063 250 F CA -0.916 56.984 58.000 -0.167 0.000 1.233 250 F CB 0.833 39.777 39.000 -0.093 0.000 1.067 250 F HN 0.045 nan 8.300 nan 0.000 0.564 251 E N 4.074 123.865 120.200 -0.682 0.000 2.130 251 E HA -0.207 4.143 4.350 0.000 0.000 0.196 251 E C 1.188 177.243 176.600 -0.907 0.000 0.998 251 E CA 1.441 57.434 56.400 -0.678 0.000 0.806 251 E CB -0.345 29.053 29.700 -0.503 0.000 0.738 251 E HN 0.592 nan 8.360 nan 0.000 0.459 252 A N 0.919 122.837 122.820 -1.504 0.000 2.460 252 A HA 0.265 4.585 4.320 0.000 0.000 0.258 252 A C 0.447 177.650 177.584 -0.635 0.000 1.300 252 A CA -0.531 50.839 52.037 -1.111 0.000 0.913 252 A CB 0.109 18.480 19.000 -1.049 0.000 1.031 252 A HN 0.238 nan 8.150 nan 0.000 0.512 253 L N 1.550 122.507 121.223 -0.444 0.000 2.315 253 L HA 0.331 4.671 4.340 0.000 0.000 0.283 253 L C 1.385 178.034 176.870 -0.369 0.000 1.089 253 L CA 1.075 55.731 54.840 -0.306 0.000 0.833 253 L CB 0.759 42.738 42.059 -0.134 0.000 1.170 253 L HN 0.293 nan 8.230 nan 0.000 0.442 254 T N 1.254 115.498 114.554 -0.516 0.000 3.081 254 T HA 0.552 4.903 4.350 0.000 0.000 0.250 254 T C 0.944 175.220 174.700 -0.707 0.000 1.100 254 T CA 0.215 62.031 62.100 -0.474 0.000 1.038 254 T CB -0.327 68.248 68.868 -0.488 0.000 0.962 254 T HN 1.235 nan 8.240 nan 0.000 0.516 255 G N 1.592 109.649 108.800 -1.239 0.000 2.482 255 G HA2 0.032 3.992 3.960 0.000 0.000 0.214 255 G HA3 0.032 3.992 3.960 0.000 0.000 0.214 255 G C -0.289 173.995 174.900 -1.027 0.000 1.271 255 G CA -0.325 43.700 45.100 -1.791 0.000 0.944 255 G HN 1.354 nan 8.290 nan 0.000 0.568 256 S N -1.035 114.283 115.700 -0.638 0.000 2.607 256 S HA 0.855 5.325 4.470 0.000 0.000 0.303 256 S C 0.263 174.717 174.600 -0.243 0.000 1.086 256 S CA 0.617 58.586 58.200 -0.385 0.000 0.995 256 S CB 1.771 64.942 63.200 -0.049 0.000 1.084 256 S HN 2.180 nan 8.310 nan 0.000 0.507 257 T N -1.006 113.431 114.554 -0.196 0.000 2.881 257 T HA 0.587 4.937 4.350 0.000 0.000 0.278 257 T C -0.184 174.622 174.700 0.177 0.000 0.982 257 T CA -0.144 61.928 62.100 -0.047 0.000 0.989 257 T CB 0.101 68.942 68.868 -0.046 0.000 1.058 257 T HN 1.320 nan 8.240 nan 0.000 0.529 258 Y N 0.462 120.755 120.300 -0.011 0.000 2.926 258 Y HA -0.321 4.229 4.550 -0.000 0.000 0.463 258 Y C 1.674 177.527 175.900 -0.078 0.000 1.225 258 Y CA 0.519 58.577 58.100 -0.070 0.000 2.393 258 Y CB -0.876 37.453 38.460 -0.219 0.000 1.300 258 Y HN 0.897 nan 8.280 nan 0.000 0.633 259 R N -0.149 119.760 120.500 -0.985 0.000 2.097 259 R HA -0.046 4.294 4.340 0.000 0.000 0.236 259 R C 0.569 176.746 176.300 -0.205 0.000 1.135 259 R CA 1.948 57.697 56.100 -0.584 0.000 0.934 259 R CB -0.671 29.233 30.300 -0.659 0.000 0.846 259 R HN 0.274 nan 8.270 nan 0.000 0.431 260 V N 1.499 121.340 119.914 -0.121 0.000 2.153 260 V HA 0.278 4.398 4.120 0.000 0.000 0.250 260 V C 0.486 176.625 176.094 0.074 0.000 1.334 260 V CA 0.199 62.495 62.300 -0.007 0.000 1.249 260 V CB 0.183 32.024 31.823 0.030 0.000 1.371 260 V HN 0.524 nan 8.190 nan 0.000 0.498 261 G N 1.741 110.594 108.800 0.088 0.000 2.731 261 G HA2 0.586 4.546 3.960 0.000 0.000 0.309 261 G HA3 0.586 4.546 3.960 0.000 0.000 0.309 261 G C -2.084 172.995 174.900 0.298 0.000 1.273 261 G CA -0.598 44.593 45.100 0.151 0.000 0.798 261 G HN 0.239 nan 8.290 nan 0.000 0.509 262 W N -0.114 121.021 121.300 -0.276 0.000 2.736 262 W HA 0.642 5.302 4.660 -0.000 0.000 0.355 262 W C 1.267 177.240 176.519 -0.910 0.000 1.102 262 W CA -1.298 55.612 57.345 -0.725 0.000 1.164 262 W CB 1.924 30.925 29.460 -0.765 0.000 1.422 262 W HN 0.693 nan 8.180 nan 0.000 0.572 263 K N 0.756 120.383 120.400 -1.287 0.000 2.026 263 K HA -0.122 4.198 4.320 0.000 0.000 0.208 263 K C -0.953 175.366 176.600 -0.468 0.000 1.048 263 K CA 1.862 57.728 56.287 -0.702 0.000 0.929 263 K CB -1.077 31.087 32.500 -0.561 0.000 0.713 263 K HN 0.068 nan 8.250 nan 0.000 0.439 264 P HA -0.171 nan 4.420 nan 0.000 0.214 264 P C 1.070 178.108 177.300 -0.438 0.000 1.163 264 P CA 2.181 65.022 63.100 -0.431 0.000 0.889 264 P CB -0.116 31.376 31.700 -0.347 0.000 0.790 265 A N -0.636 121.940 122.820 -0.407 0.000 1.908 265 A HA -0.279 4.041 4.320 0.000 0.000 0.218 265 A C 2.078 179.496 177.584 -0.277 0.000 1.181 265 A CA 2.415 54.217 52.037 -0.393 0.000 0.627 265 A CB -1.907 16.815 19.000 -0.463 0.000 0.818 265 A HN 0.191 nan 8.150 nan 0.000 0.445 266 N N -0.491 118.074 118.700 -0.225 0.000 2.223 266 N HA -0.126 4.614 4.740 0.000 0.000 0.185 266 N C 1.696 177.165 175.510 -0.068 0.000 1.016 266 N CA 1.580 54.559 53.050 -0.118 0.000 0.863 266 N CB -0.128 38.305 38.487 -0.090 0.000 0.983 266 N HN 0.681 nan 8.380 nan 0.000 0.429 267 E N -0.735 119.397 120.200 -0.114 0.000 2.122 267 E HA -0.017 4.333 4.350 0.000 0.000 0.190 267 E C 1.616 178.219 176.600 0.005 0.000 0.977 267 E CA 0.908 57.309 56.400 0.002 0.000 0.820 267 E CB 0.080 29.768 29.700 -0.020 0.000 0.770 267 E HN 0.270 nan 8.360 nan 0.000 0.462 268 T N 1.731 116.138 114.554 -0.244 0.000 2.684 268 T HA -0.171 4.180 4.350 0.000 0.000 0.267 268 T C 1.908 176.715 174.700 0.178 0.000 1.036 268 T CA 0.948 62.978 62.100 -0.116 0.000 1.148 268 T CB -0.225 68.464 68.868 -0.299 0.000 0.863 268 T HN 0.040 nan 8.240 nan 0.000 0.436 269 I N 0.980 121.592 120.570 0.070 0.000 2.335 269 I HA -0.040 4.130 4.170 0.000 0.000 0.251 269 I C 1.756 177.954 176.117 0.136 0.000 1.129 269 I CA 1.165 62.544 61.300 0.132 0.000 1.402 269 I CB -0.341 37.702 38.000 0.071 0.000 1.069 269 I HN 0.235 nan 8.210 nan 0.000 0.424 270 L N -0.327 120.954 121.223 0.096 0.000 2.554 270 L HA 0.038 4.378 4.340 0.000 0.000 0.226 270 L C 1.608 178.576 176.870 0.164 0.000 1.137 270 L CA 0.416 55.244 54.840 -0.020 0.000 0.863 270 L CB -0.367 41.540 42.059 -0.253 0.000 0.985 270 L HN 0.192 nan 8.230 nan 0.000 0.451 271 E N 0.044 120.465 120.200 0.369 0.000 2.511 271 E HA 0.244 4.595 4.350 0.000 0.000 0.209 271 E C 0.664 177.407 176.600 0.238 0.000 0.986 271 E CA 0.013 56.687 56.400 0.456 0.000 0.974 271 E CB 0.781 30.949 29.700 0.780 0.000 1.030 271 E HN 0.257 nan 8.360 nan 0.000 0.490 272 A N 1.233 124.192 122.820 0.232 0.000 2.332 272 A HA 0.201 4.521 4.320 0.000 0.000 0.258 272 A C 0.409 177.959 177.584 -0.057 0.000 1.087 272 A CA -0.084 51.968 52.037 0.024 0.000 0.802 272 A CB 0.493 19.632 19.000 0.231 0.000 1.042 272 A HN -0.152 nan 8.150 nan 0.000 0.489 273 D N -0.689 119.617 120.400 -0.155 0.000 2.597 273 D HA 0.140 4.780 4.640 0.000 0.000 0.261 273 D C -0.120 176.155 176.300 -0.041 0.000 1.023 273 D CA 1.292 55.233 54.000 -0.097 0.000 0.927 273 D CB 0.196 40.902 40.800 -0.157 0.000 1.168 273 D HN 0.467 nan 8.370 nan 0.000 0.491 274 T N 1.157 115.683 114.554 -0.047 0.000 2.809 274 T HA 0.524 4.874 4.350 0.000 0.000 0.284 274 T C -0.366 174.326 174.700 -0.013 0.000 0.992 274 T CA -0.523 61.561 62.100 -0.027 0.000 0.957 274 T CB 2.635 71.482 68.868 -0.035 0.000 0.942 274 T HN -0.306 nan 8.240 nan 0.000 0.439 275 V N 4.214 124.086 119.914 -0.069 0.000 2.435 275 V HA 0.461 4.581 4.120 0.000 0.000 0.290 275 V C -0.408 175.540 176.094 -0.244 0.000 1.030 275 V CA -0.887 61.348 62.300 -0.109 0.000 0.881 275 V CB 1.628 33.347 31.823 -0.172 0.000 0.983 275 V HN 0.690 nan 8.190 nan 0.000 0.445 276 L N 6.060 127.217 121.223 -0.111 0.000 2.314 276 L HA 0.495 4.835 4.340 0.000 0.000 0.275 276 L C -0.622 176.204 176.870 -0.073 0.000 1.068 276 L CA -0.119 54.648 54.840 -0.121 0.000 0.894 276 L CB 0.213 42.247 42.059 -0.042 0.000 1.275 276 L HN 0.538 nan 8.230 nan 0.000 0.432 277 F N 4.824 124.496 119.950 -0.463 0.000 2.541 277 F HA 0.519 5.047 4.527 0.002 0.000 0.347 277 F C 0.541 176.230 175.800 -0.185 0.000 1.242 277 F CA -0.673 57.095 58.000 -0.386 0.000 1.123 277 F CB 0.173 38.712 39.000 -0.767 0.000 1.354 277 F HN 0.586 nan 8.300 nan 0.000 0.621 278 A N 4.289 126.983 122.820 -0.210 0.000 2.253 278 A HA 0.545 4.865 4.320 0.000 0.000 0.316 278 A C 0.826 178.273 177.584 -0.227 0.000 1.327 278 A CA -0.118 51.815 52.037 -0.174 0.000 0.917 278 A CB -0.148 18.807 19.000 -0.075 0.000 1.162 278 A HN 1.538 nan 8.150 nan 0.000 0.535 279 G N 1.502 110.176 108.800 -0.210 0.000 2.350 279 G HA2 0.009 3.969 3.960 0.000 0.000 0.298 279 G HA3 0.009 3.969 3.960 0.000 0.000 0.298 279 G C 0.138 174.901 174.900 -0.229 0.000 1.037 279 G CA 0.806 45.809 45.100 -0.163 0.000 1.074 279 G HN 1.736 nan 8.290 nan 0.000 0.511 280 S N -0.951 114.492 115.700 -0.429 0.000 2.588 280 S HA 0.718 5.188 4.470 0.000 0.000 0.275 280 S C -0.155 174.349 174.600 -0.160 0.000 1.130 280 S CA -0.281 57.670 58.200 -0.415 0.000 0.855 280 S CB 1.803 64.523 63.200 -0.800 0.000 1.116 280 S HN 0.666 nan 8.310 nan 0.000 0.472 281 N N 1.982 120.754 118.700 0.120 0.000 2.588 281 N HA 0.239 4.979 4.740 0.000 0.000 0.298 281 N C -1.127 174.586 175.510 0.337 0.000 1.718 281 N CA -0.548 52.663 53.050 0.268 0.000 0.888 281 N CB -0.180 38.397 38.487 0.149 0.000 1.389 281 N HN 0.493 nan 8.380 nan 0.000 0.491 282 F N 2.562 122.702 119.950 0.316 0.000 2.417 282 F HA 0.045 4.572 4.527 0.001 0.000 0.412 282 F C -1.091 174.818 175.800 0.182 0.000 0.964 282 F CA -1.237 56.938 58.000 0.291 0.000 1.081 282 F CB 0.717 39.942 39.000 0.376 0.000 0.909 282 F HN 0.274 nan 8.300 nan 0.000 0.522 283 P HA -0.180 nan 4.420 nan 0.000 0.226 283 P C 1.231 178.097 177.300 -0.725 0.000 1.153 283 P CA 1.439 64.249 63.100 -0.483 0.000 0.777 283 P CB -0.119 31.266 31.700 -0.524 0.000 0.794 284 F N 0.146 119.546 119.950 -0.918 0.000 2.789 284 F HA 0.074 4.600 4.527 -0.001 0.000 0.300 284 F C 2.454 177.962 175.800 -0.488 0.000 1.132 284 F CA 0.332 57.870 58.000 -0.771 0.000 1.404 284 F CB -0.858 37.557 39.000 -0.975 0.000 1.114 284 F HN -0.140 nan 8.300 nan 0.000 0.584 285 S N 0.812 116.392 115.700 -0.200 0.000 2.414 285 S HA -0.325 4.145 4.470 0.000 0.000 0.238 285 S C 1.923 176.534 174.600 0.018 0.000 1.055 285 S CA 2.276 60.520 58.200 0.075 0.000 1.174 285 S CB -0.466 62.901 63.200 0.277 0.000 1.087 285 S HN 0.435 nan 8.310 nan 0.000 0.428 286 E N 0.537 120.735 120.200 -0.003 0.000 2.016 286 E HA -0.074 4.276 4.350 0.000 0.000 0.190 286 E C 2.331 178.911 176.600 -0.033 0.000 0.985 286 E CA 1.174 57.567 56.400 -0.011 0.000 0.802 286 E CB -0.515 29.169 29.700 -0.027 0.000 0.762 286 E HN 0.529 nan 8.360 nan 0.000 0.448 287 V N -0.275 119.604 119.914 -0.059 0.000 2.720 287 V HA -0.121 3.999 4.120 0.000 0.000 0.256 287 V C 1.176 177.238 176.094 -0.052 0.000 1.082 287 V CA 1.538 63.807 62.300 -0.051 0.000 1.101 287 V CB -0.265 31.523 31.823 -0.059 0.000 0.693 287 V HN 0.082 nan 8.190 nan 0.000 0.479 288 E N 0.692 120.843 120.200 -0.082 0.000 2.538 288 E HA 0.271 4.622 4.350 0.000 0.000 0.207 288 E C 1.623 178.197 176.600 -0.043 0.000 1.002 288 E CA 0.506 56.848 56.400 -0.096 0.000 0.952 288 E CB 0.375 29.906 29.700 -0.283 0.000 1.031 288 E HN 0.841 nan 8.360 nan 0.000 0.476 289 G N 2.332 111.112 108.800 -0.032 0.000 2.341 289 G HA2 -0.362 3.598 3.960 0.000 0.000 0.292 289 G HA3 -0.362 3.598 3.960 0.000 0.000 0.292 289 G C 1.097 175.963 174.900 -0.056 0.000 1.021 289 G CA 1.014 46.104 45.100 -0.017 0.000 0.905 289 G HN 0.258 nan 8.290 nan 0.000 0.508 290 T N -0.039 114.433 114.554 -0.138 0.000 2.653 290 T HA -0.183 4.167 4.350 0.000 0.000 0.268 290 T C 1.523 175.978 174.700 -0.408 0.000 1.035 290 T CA 1.922 63.826 62.100 -0.327 0.000 1.154 290 T CB -0.224 68.295 68.868 -0.580 0.000 0.862 290 T HN 0.422 nan 8.240 nan 0.000 0.441 291 F N 1.505 121.497 119.950 0.069 0.000 2.668 291 F HA 0.328 4.855 4.527 0.000 0.000 0.297 291 F C 1.769 177.595 175.800 0.043 0.000 1.124 291 F CA -1.025 56.987 58.000 0.021 0.000 1.353 291 F CB -0.563 38.366 39.000 -0.118 0.000 0.992 291 F HN 0.117 nan 8.300 nan 0.000 0.524 292 R N -0.269 120.309 120.500 0.129 0.000 2.159 292 R HA -0.130 4.210 4.340 0.000 0.000 0.237 292 R C 0.664 177.012 176.300 0.080 0.000 1.131 292 R CA 1.697 57.853 56.100 0.094 0.000 0.982 292 R CB -0.439 29.875 30.300 0.022 0.000 0.868 292 R HN 0.121 nan 8.270 nan 0.000 0.453 293 N N 0.542 119.277 118.700 0.058 0.000 2.236 293 N HA 0.119 4.859 4.740 0.000 0.000 0.196 293 N C -0.444 175.118 175.510 0.087 0.000 1.114 293 N CA -0.013 53.069 53.050 0.054 0.000 0.859 293 N CB 0.837 39.324 38.487 -0.000 0.000 0.982 293 N HN -0.036 nan 8.380 nan 0.000 0.493 294 V N 1.647 121.634 119.914 0.120 0.000 2.811 294 V HA 0.029 4.149 4.120 0.000 0.000 0.302 294 V C 1.065 177.211 176.094 0.087 0.000 1.063 294 V CA 0.166 62.526 62.300 0.100 0.000 1.088 294 V CB 1.287 33.168 31.823 0.097 0.000 0.982 294 V HN 0.114 nan 8.190 nan 0.000 0.485 295 D N 1.735 122.171 120.400 0.059 0.000 2.323 295 D HA 0.106 4.746 4.640 0.000 0.000 0.218 295 D C 0.368 176.717 176.300 0.081 0.000 0.973 295 D CA 0.797 54.833 54.000 0.061 0.000 0.890 295 D CB 0.417 41.233 40.800 0.026 0.000 1.011 295 D HN 0.624 nan 8.370 nan 0.000 0.499 296 N N -0.677 118.061 118.700 0.063 0.000 2.225 296 N HA 0.402 5.143 4.740 0.000 0.000 0.298 296 N C -1.651 173.904 175.510 0.076 0.000 1.076 296 N CA -0.568 52.530 53.050 0.079 0.000 0.792 296 N CB 2.413 40.921 38.487 0.035 0.000 1.498 296 N HN -0.146 nan 8.380 nan 0.000 0.474 297 F N 2.736 122.622 119.950 -0.106 0.000 2.539 297 F HA 0.555 5.083 4.527 0.002 0.000 0.328 297 F C -1.379 174.338 175.800 -0.138 0.000 1.148 297 F CA -0.580 57.291 58.000 -0.216 0.000 0.940 297 F CB 0.779 39.567 39.000 -0.353 0.000 1.194 297 F HN 0.300 nan 8.300 nan 0.000 0.438 298 I N 5.637 125.992 120.570 -0.357 0.000 2.378 298 I HA 0.376 4.546 4.170 0.000 0.000 0.291 298 I C -0.748 175.189 176.117 -0.300 0.000 0.992 298 I CA -0.571 60.601 61.300 -0.212 0.000 1.154 298 I CB 1.827 39.741 38.000 -0.144 0.000 1.315 298 I HN 0.555 nan 8.210 nan 0.000 0.448 299 Q N 6.812 126.550 119.800 -0.104 0.000 2.353 299 Q HA 0.674 5.015 4.340 0.000 0.000 0.268 299 Q C -1.598 174.404 176.000 0.003 0.000 1.045 299 Q CA -0.684 55.116 55.803 -0.006 0.000 0.811 299 Q CB 2.413 31.279 28.738 0.214 0.000 1.305 299 Q HN 0.628 nan 8.270 nan 0.000 0.447 300 I N 3.074 123.635 120.570 -0.016 0.000 2.436 300 I HA 0.491 4.662 4.170 0.000 0.000 0.289 300 I C -0.812 175.288 176.117 -0.028 0.000 1.010 300 I CA -0.531 60.750 61.300 -0.031 0.000 1.098 300 I CB 1.829 39.795 38.000 -0.057 0.000 1.266 300 I HN 0.615 nan 8.210 nan 0.000 0.434 301 D N 4.843 125.234 120.400 -0.015 0.000 2.663 301 D HA 0.298 4.939 4.640 0.000 0.000 0.233 301 D C 0.087 176.381 176.300 -0.010 0.000 1.240 301 D CA -0.423 53.571 54.000 -0.010 0.000 0.774 301 D CB 2.411 43.222 40.800 0.019 0.000 1.443 301 D HN 0.546 nan 8.370 nan 0.000 0.441 302 I N -1.425 119.140 120.570 -0.008 0.000 3.728 302 I HA 0.295 4.465 4.170 0.000 0.000 0.307 302 I C 0.327 176.441 176.117 -0.005 0.000 1.276 302 I CA 0.050 61.344 61.300 -0.010 0.000 1.285 302 I CB 0.245 38.242 38.000 -0.004 0.000 1.038 302 I HN -0.026 nan 8.210 nan 0.000 0.445 303 D N 2.321 122.725 120.400 0.006 0.000 2.427 303 D HA 0.298 4.938 4.640 0.000 0.000 0.226 303 D C -1.783 174.525 176.300 0.013 0.000 1.076 303 D CA -2.522 51.484 54.000 0.010 0.000 0.849 303 D CB 1.957 42.769 40.800 0.019 0.000 1.052 303 D HN -0.124 nan 8.370 nan 0.000 0.515 304 P HA -0.140 nan 4.420 nan 0.000 0.217 304 P C 0.989 178.298 177.300 0.015 0.000 1.148 304 P CA 1.271 64.374 63.100 0.006 0.000 0.828 304 P CB 0.250 31.948 31.700 -0.003 0.000 0.783 305 A N -1.278 121.552 122.820 0.017 0.000 2.070 305 A HA -0.155 4.165 4.320 0.000 0.000 0.220 305 A C 1.934 179.538 177.584 0.034 0.000 1.159 305 A CA 1.474 53.523 52.037 0.020 0.000 0.656 305 A CB -1.061 17.949 19.000 0.017 0.000 0.800 305 A HN 0.089 nan 8.150 nan 0.000 0.453 306 M N -0.597 119.031 119.600 0.046 0.000 2.510 306 M HA 0.238 4.718 4.480 0.000 0.000 0.256 306 M C 0.229 176.587 176.300 0.096 0.000 1.132 306 M CA 0.339 55.685 55.300 0.077 0.000 1.105 306 M CB -0.821 31.832 32.600 0.088 0.000 1.375 306 M HN 0.218 nan 8.290 nan 0.000 0.477 307 L N 1.478 122.742 121.223 0.067 0.000 2.530 307 L HA 0.170 4.511 4.340 0.000 0.000 0.273 307 L C 1.258 178.156 176.870 0.047 0.000 1.141 307 L CA 0.220 55.100 54.840 0.067 0.000 0.905 307 L CB -0.703 41.377 42.059 0.036 0.000 1.202 307 L HN 0.672 nan 8.230 nan 0.000 0.473 308 G N 2.453 111.290 108.800 0.063 0.000 2.143 308 G HA2 -0.323 3.637 3.960 0.000 0.000 0.249 308 G HA3 -0.323 3.637 3.960 0.000 0.000 0.249 308 G C 1.038 175.922 174.900 -0.026 0.000 0.981 308 G CA 0.544 45.638 45.100 -0.010 0.000 0.665 308 G HN 0.726 nan 8.290 nan 0.000 0.528 309 K N -0.087 120.327 120.400 0.024 0.000 2.007 309 K HA 0.031 4.352 4.320 0.000 0.000 0.206 309 K C 2.448 179.040 176.600 -0.014 0.000 1.047 309 K CA 1.023 57.321 56.287 0.017 0.000 0.937 309 K CB -0.151 32.386 32.500 0.061 0.000 0.718 309 K HN 0.227 nan 8.250 nan 0.000 0.438 310 R N -0.183 120.312 120.500 -0.009 0.000 2.275 310 R HA 0.090 4.430 4.340 0.000 0.000 0.199 310 R C 0.285 176.475 176.300 -0.184 0.000 0.989 310 R CA 0.447 56.523 56.100 -0.040 0.000 1.016 310 R CB -0.066 30.269 30.300 0.058 0.000 0.918 310 R HN 0.411 nan 8.270 nan 0.000 0.473 311 H N -1.218 117.533 119.070 -0.531 0.000 3.020 311 H HA 0.013 4.570 4.556 0.001 0.000 0.303 311 H C -1.362 173.604 175.328 -0.604 0.000 1.332 311 H CA -0.869 54.740 56.048 -0.732 0.000 1.282 311 H CB 0.906 29.739 29.762 -1.548 0.000 1.928 311 H HN 0.125 nan 8.280 nan 0.000 0.519 312 H N 1.869 120.570 119.070 -0.614 0.000 3.001 312 H HA 0.437 4.994 4.556 0.001 0.000 0.334 312 H C -0.861 174.451 175.328 -0.028 0.000 1.034 312 H CA 0.779 56.672 56.048 -0.257 0.000 1.420 312 H CB 0.363 29.971 29.762 -0.256 0.000 1.405 312 H HN 0.602 nan 8.280 nan 0.000 0.593 313 A N 4.835 127.329 122.820 -0.543 0.000 2.271 313 A HA 0.199 4.519 4.320 0.000 0.000 0.317 313 A C 0.668 178.015 177.584 -0.395 0.000 1.245 313 A CA -0.561 51.362 52.037 -0.189 0.000 0.857 313 A CB 0.549 19.550 19.000 0.002 0.000 1.175 313 A HN 0.981 nan 8.150 nan 0.000 0.512 314 D N 1.032 121.368 120.400 -0.108 0.000 2.234 314 D HA 0.020 4.660 4.640 0.000 0.000 0.205 314 D C 0.011 176.297 176.300 -0.023 0.000 0.962 314 D CA 1.499 55.486 54.000 -0.021 0.000 0.855 314 D CB 0.411 41.260 40.800 0.082 0.000 0.951 314 D HN 0.276 nan 8.370 nan 0.000 0.500 315 V N 0.528 120.429 119.914 -0.022 0.000 2.623 315 V HA 0.566 4.686 4.120 0.000 0.000 0.304 315 V C -0.729 175.354 176.094 -0.018 0.000 1.054 315 V CA -0.978 61.310 62.300 -0.021 0.000 0.882 315 V CB 1.998 33.808 31.823 -0.021 0.000 1.002 315 V HN 0.043 nan 8.190 nan 0.000 0.424 316 A N 5.989 128.798 122.820 -0.017 0.000 2.330 316 A HA 0.918 5.238 4.320 0.000 0.000 0.313 316 A C -0.903 176.674 177.584 -0.011 0.000 1.124 316 A CA -0.430 51.603 52.037 -0.006 0.000 0.774 316 A CB 0.813 19.809 19.000 -0.007 0.000 1.198 316 A HN 0.775 nan 8.150 nan 0.000 0.465 317 I N 3.265 123.828 120.570 -0.011 0.000 2.382 317 I HA 0.225 4.395 4.170 0.000 0.000 0.285 317 I C -0.796 175.310 176.117 -0.019 0.000 1.007 317 I CA -0.653 60.635 61.300 -0.020 0.000 1.142 317 I CB 1.654 39.636 38.000 -0.029 0.000 1.289 317 I HN 0.568 nan 8.210 nan 0.000 0.453 318 L N 7.437 128.648 121.223 -0.021 0.000 2.261 318 L HA 0.856 5.196 4.340 0.000 0.000 0.289 318 L C 0.216 177.066 176.870 -0.033 0.000 1.059 318 L CA 0.597 55.423 54.840 -0.023 0.000 0.816 318 L CB 0.332 42.376 42.059 -0.025 0.000 1.191 318 L HN 0.745 nan 8.230 nan 0.000 0.431 319 G N 3.169 111.948 108.800 -0.034 0.000 2.336 319 G HA2 0.103 4.063 3.960 0.000 0.000 0.300 319 G HA3 0.103 4.063 3.960 0.000 0.000 0.300 319 G C -1.701 173.172 174.900 -0.045 0.000 1.375 319 G CA -0.785 44.290 45.100 -0.041 0.000 0.885 319 G HN 0.661 nan 8.290 nan 0.000 0.599 320 D N 0.070 120.440 120.400 -0.050 0.000 2.458 320 D HA 0.471 5.112 4.640 0.000 0.000 0.243 320 D C 1.546 177.782 176.300 -0.105 0.000 1.146 320 D CA 0.976 54.938 54.000 -0.063 0.000 0.877 320 D CB 1.341 42.103 40.800 -0.063 0.000 1.176 320 D HN 0.805 nan 8.370 nan 0.000 0.461 321 A N 4.011 126.766 122.820 -0.108 0.000 1.972 321 A HA -0.068 4.252 4.320 0.000 0.000 0.219 321 A C 2.148 179.583 177.584 -0.247 0.000 1.169 321 A CA 1.851 53.811 52.037 -0.129 0.000 0.635 321 A CB -0.892 18.064 19.000 -0.073 0.000 0.810 321 A HN 0.704 nan 8.150 nan 0.000 0.446 322 A N 0.015 122.532 122.820 -0.505 0.000 1.845 322 A HA -0.074 4.246 4.320 0.000 0.000 0.215 322 A C 2.168 179.535 177.584 -0.363 0.000 1.195 322 A CA 1.562 53.089 52.037 -0.852 0.000 0.616 322 A CB -0.710 17.380 19.000 -1.517 0.000 0.832 322 A HN 0.474 nan 8.150 nan 0.000 0.443 323 L N -0.800 120.276 121.223 -0.245 0.000 2.046 323 L HA -0.201 4.139 4.340 0.000 0.000 0.208 323 L C 3.109 179.916 176.870 -0.106 0.000 1.077 323 L CA 1.097 55.856 54.840 -0.134 0.000 0.747 323 L CB -0.665 41.339 42.059 -0.092 0.000 0.896 323 L HN 0.459 nan 8.230 nan 0.000 0.432 324 A N 0.369 123.125 122.820 -0.108 0.000 1.877 324 A HA -0.181 4.139 4.320 0.000 0.000 0.216 324 A C 2.192 179.732 177.584 -0.074 0.000 1.186 324 A CA 1.403 53.392 52.037 -0.079 0.000 0.620 324 A CB -0.514 18.442 19.000 -0.073 0.000 0.822 324 A HN 0.257 nan 8.150 nan 0.000 0.443 325 I N 0.670 121.186 120.570 -0.090 0.000 2.208 325 I HA -0.215 3.955 4.170 0.000 0.000 0.245 325 I C 1.830 177.915 176.117 -0.055 0.000 1.097 325 I CA 1.649 62.910 61.300 -0.066 0.000 1.363 325 I CB -1.489 36.470 38.000 -0.067 0.000 1.051 325 I HN 0.320 nan 8.210 nan 0.000 0.413 326 D N 0.687 121.046 120.400 -0.069 0.000 2.097 326 D HA -0.167 4.473 4.640 0.000 0.000 0.195 326 D C 2.102 178.379 176.300 -0.038 0.000 0.989 326 D CA 1.017 54.988 54.000 -0.048 0.000 0.827 326 D CB -0.092 40.677 40.800 -0.052 0.000 0.966 326 D HN 0.335 nan 8.370 nan 0.000 0.456 327 E N 0.562 120.736 120.200 -0.043 0.000 2.077 327 E HA -0.101 4.249 4.350 0.000 0.000 0.193 327 E C 2.526 179.108 176.600 -0.030 0.000 0.989 327 E CA 0.326 56.705 56.400 -0.034 0.000 0.800 327 E CB -0.200 29.478 29.700 -0.036 0.000 0.746 327 E HN 0.410 nan 8.360 nan 0.000 0.452 328 I N 0.756 121.306 120.570 -0.032 0.000 2.179 328 I HA -0.262 3.909 4.170 0.000 0.000 0.242 328 I C 2.545 178.648 176.117 -0.023 0.000 1.088 328 I CA 0.542 61.825 61.300 -0.027 0.000 1.357 328 I CB -0.254 37.729 38.000 -0.028 0.000 1.051 328 I HN 0.082 nan 8.210 nan 0.000 0.409 329 L N 1.452 122.661 121.223 -0.023 0.000 2.042 329 L HA -0.262 4.078 4.340 0.000 0.000 0.210 329 L C 2.066 178.924 176.870 -0.020 0.000 1.076 329 L CA 2.117 56.945 54.840 -0.020 0.000 0.749 329 L CB -0.926 41.122 42.059 -0.018 0.000 0.893 329 L HN 0.255 nan 8.230 nan 0.000 0.432 330 N N -0.945 117.743 118.700 -0.020 0.000 2.270 330 N HA -0.151 4.590 4.740 0.000 0.000 0.181 330 N C 1.702 177.201 175.510 -0.018 0.000 1.016 330 N CA 1.367 54.406 53.050 -0.018 0.000 0.870 330 N CB 0.019 38.496 38.487 -0.018 0.000 0.979 330 N HN 0.376 nan 8.380 nan 0.000 0.431 331 K N -0.598 119.791 120.400 -0.019 0.000 2.284 331 K HA 0.124 4.444 4.320 0.000 0.000 0.198 331 K C 0.118 176.707 176.600 -0.018 0.000 1.048 331 K CA -0.076 56.200 56.287 -0.018 0.000 0.987 331 K CB 0.436 32.926 32.500 -0.018 0.000 0.800 331 K HN -0.007 nan 8.250 nan 0.000 0.486 332 V N 2.512 122.415 119.914 -0.019 0.000 2.963 332 V HA -0.042 4.078 4.120 0.000 0.000 0.306 332 V C -0.444 175.637 176.094 -0.022 0.000 1.077 332 V CA -0.047 62.241 62.300 -0.020 0.000 1.124 332 V CB 0.834 32.645 31.823 -0.020 0.000 0.987 332 V HN 0.175 nan 8.190 nan 0.000 0.487 333 D N 3.876 124.262 120.400 -0.023 0.000 2.345 333 D HA 0.477 5.117 4.640 0.000 0.000 0.247 333 D C 0.174 176.454 176.300 -0.034 0.000 1.108 333 D CA 0.366 54.351 54.000 -0.025 0.000 0.894 333 D CB 1.500 42.287 40.800 -0.022 0.000 1.203 333 D HN 0.844 nan 8.370 nan 0.000 0.430 334 A N 1.771 124.568 122.820 -0.039 0.000 2.371 334 A HA 0.421 4.742 4.320 0.000 0.000 0.257 334 A C -0.233 177.314 177.584 -0.061 0.000 1.089 334 A CA -0.435 51.569 52.037 -0.054 0.000 0.794 334 A CB 0.573 19.543 19.000 -0.050 0.000 1.029 334 A HN 0.354 nan 8.150 nan 0.000 0.488 335 V N 3.200 123.060 119.914 -0.090 0.000 2.378 335 V HA 0.175 4.295 4.120 0.000 0.000 0.288 335 V C 0.731 176.751 176.094 -0.122 0.000 1.016 335 V CA -0.305 61.939 62.300 -0.093 0.000 0.840 335 V CB 0.894 32.659 31.823 -0.098 0.000 0.994 335 V HN 1.128 nan 8.190 nan 0.000 0.431 336 E N 3.258 123.408 120.200 -0.082 0.000 2.015 336 E HA -0.102 4.249 4.350 0.000 0.000 0.191 336 E C 0.372 176.920 176.600 -0.087 0.000 0.991 336 E CA 1.183 57.537 56.400 -0.078 0.000 0.802 336 E CB 0.346 30.021 29.700 -0.042 0.000 0.759 336 E HN 0.868 nan 8.360 nan 0.000 0.447 337 E N -0.159 120.010 120.200 -0.053 0.000 2.393 337 E HA 0.506 4.856 4.350 0.000 0.000 0.273 337 E C -1.106 175.504 176.600 0.017 0.000 0.918 337 E CA -1.039 55.349 56.400 -0.020 0.000 0.773 337 E CB 2.243 31.953 29.700 0.017 0.000 1.275 337 E HN -0.047 nan 8.360 nan 0.000 0.451 338 S N 0.680 116.431 115.700 0.087 0.000 2.605 338 S HA 0.561 5.032 4.470 0.000 0.000 0.279 338 S C 0.066 174.812 174.600 0.244 0.000 1.166 338 S CA -0.093 58.208 58.200 0.169 0.000 0.975 338 S CB 0.872 64.197 63.200 0.208 0.000 1.111 338 S HN 0.991 nan 8.310 nan 0.000 0.465 339 A N 5.022 127.971 122.820 0.214 0.000 1.933 339 A HA 0.020 4.340 4.320 0.000 0.000 0.218 339 A C 1.820 179.573 177.584 0.282 0.000 1.175 339 A CA 1.275 53.433 52.037 0.203 0.000 0.628 339 A CB -0.933 18.162 19.000 0.157 0.000 0.814 339 A HN 1.034 nan 8.150 nan 0.000 0.444 340 W N -0.343 121.043 121.300 0.143 0.000 2.335 340 W HA -0.210 4.450 4.660 -0.000 0.000 0.311 340 W C 2.130 178.790 176.519 0.235 0.000 1.213 340 W CA 1.584 59.034 57.345 0.176 0.000 1.274 340 W CB -0.426 29.133 29.460 0.165 0.000 1.148 340 W HN 0.607 nan 8.180 nan 0.000 0.498 341 W N 1.882 123.187 121.300 0.008 0.000 2.378 341 W HA -0.197 4.463 4.660 0.000 0.000 0.313 341 W C 2.098 178.526 176.519 -0.151 0.000 1.197 341 W CA 2.492 59.743 57.345 -0.157 0.000 1.304 341 W CB -0.881 28.559 29.460 -0.034 0.000 1.148 341 W HN -0.225 nan 8.180 nan 0.000 0.494 342 T N 1.660 116.297 114.554 0.138 0.000 2.720 342 T HA -0.207 4.143 4.350 0.000 0.000 0.268 342 T C 2.061 176.698 174.700 -0.104 0.000 1.037 342 T CA 2.418 64.517 62.100 -0.001 0.000 1.144 342 T CB -0.801 68.123 68.868 0.093 0.000 0.864 342 T HN 0.255 nan 8.240 nan 0.000 0.444 343 A N 2.158 124.961 122.820 -0.028 0.000 1.902 343 A HA -0.157 4.163 4.320 0.000 0.000 0.217 343 A C 2.315 179.894 177.584 -0.008 0.000 1.181 343 A CA 1.462 53.510 52.037 0.018 0.000 0.623 343 A CB -0.617 18.423 19.000 0.067 0.000 0.818 343 A HN 0.433 nan 8.150 nan 0.000 0.443 344 N N 0.081 118.665 118.700 -0.193 0.000 2.142 344 N HA -0.084 4.657 4.740 0.000 0.000 0.186 344 N C 1.772 176.979 175.510 -0.505 0.000 1.023 344 N CA 1.429 54.225 53.050 -0.424 0.000 0.852 344 N CB -0.339 37.711 38.487 -0.729 0.000 0.998 344 N HN 0.489 nan 8.380 nan 0.000 0.424 345 L N 1.332 122.199 121.223 -0.594 0.000 2.079 345 L HA -0.164 4.176 4.340 0.000 0.000 0.210 345 L C 2.260 178.875 176.870 -0.425 0.000 1.081 345 L CA 1.269 55.763 54.840 -0.577 0.000 0.752 345 L CB -0.341 41.347 42.059 -0.618 0.000 0.896 345 L HN 0.133 nan 8.230 nan 0.000 0.433 346 K N -0.212 119.932 120.400 -0.427 0.000 2.097 346 K HA -0.166 4.154 4.320 0.000 0.000 0.205 346 K C 1.909 178.070 176.600 -0.732 0.000 1.050 346 K CA 1.348 57.306 56.287 -0.549 0.000 0.938 346 K CB -0.177 31.942 32.500 -0.635 0.000 0.718 346 K HN 0.154 nan 8.250 nan 0.000 0.442 347 N N 1.412 119.732 118.700 -0.634 0.000 2.120 347 N HA -0.106 4.634 4.740 0.000 0.000 0.188 347 N C 1.557 176.963 175.510 -0.174 0.000 1.024 347 N CA 1.120 53.965 53.050 -0.341 0.000 0.852 347 N CB -0.030 38.392 38.487 -0.108 0.000 1.003 347 N HN 0.098 nan 8.380 nan 0.000 0.424 348 I N 0.104 120.539 120.570 -0.225 0.000 2.179 348 I HA -0.231 3.939 4.170 0.000 0.000 0.242 348 I C 2.275 178.390 176.117 -0.003 0.000 1.088 348 I CA 1.103 62.353 61.300 -0.083 0.000 1.357 348 I CB -0.456 37.433 38.000 -0.184 0.000 1.051 348 I HN 0.165 nan 8.210 nan 0.000 0.409 349 A N 0.835 123.583 122.820 -0.120 0.000 1.908 349 A HA -0.292 4.028 4.320 0.000 0.000 0.218 349 A C 2.188 179.760 177.584 -0.020 0.000 1.181 349 A CA 2.232 54.217 52.037 -0.087 0.000 0.627 349 A CB -1.109 17.808 19.000 -0.139 0.000 0.818 349 A HN 0.579 nan 8.150 nan 0.000 0.445 350 N N -1.240 117.454 118.700 -0.011 0.000 2.104 350 N HA -0.216 4.525 4.740 0.000 0.000 0.190 350 N C 1.878 177.482 175.510 0.158 0.000 1.024 350 N CA 1.765 54.872 53.050 0.096 0.000 0.853 350 N CB -0.327 38.278 38.487 0.197 0.000 1.008 350 N HN 0.824 nan 8.380 nan 0.000 0.424 351 W N 1.952 123.244 121.300 -0.013 0.000 2.381 351 W HA -0.088 4.573 4.660 0.001 0.000 0.301 351 W C 1.827 178.335 176.519 -0.017 0.000 1.205 351 W CA 0.766 58.110 57.345 -0.002 0.000 1.285 351 W CB -0.197 29.248 29.460 -0.026 0.000 1.133 351 W HN 0.106 nan 8.180 nan 0.000 0.521 352 R N 0.141 120.608 120.500 -0.056 0.000 2.115 352 R HA -0.143 4.197 4.340 0.000 0.000 0.230 352 R C 2.080 178.272 176.300 -0.179 0.000 1.111 352 R CA 1.349 57.334 56.100 -0.192 0.000 0.976 352 R CB -0.290 29.977 30.300 -0.054 0.000 0.870 352 R HN 0.118 nan 8.270 nan 0.000 0.445 353 E N 0.008 120.154 120.200 -0.090 0.000 2.077 353 E HA -0.218 4.132 4.350 0.000 0.000 0.193 353 E C 1.677 178.213 176.600 -0.108 0.000 0.989 353 E CA 1.126 57.485 56.400 -0.069 0.000 0.800 353 E CB -0.291 29.403 29.700 -0.010 0.000 0.746 353 E HN 0.368 nan 8.360 nan 0.000 0.452 354 Y N 1.691 121.829 120.300 -0.271 0.000 2.089 354 Y HA -0.207 4.343 4.550 0.001 0.000 0.282 354 Y C 2.177 177.799 175.900 -0.463 0.000 1.139 354 Y CA 1.321 59.215 58.100 -0.345 0.000 1.123 354 Y CB -0.346 37.883 38.460 -0.385 0.000 0.980 354 Y HN -0.096 nan 8.280 nan 0.000 0.493 355 I N 0.919 121.040 120.570 -0.748 0.000 2.208 355 I HA -0.322 3.848 4.170 0.000 0.000 0.245 355 I C 2.211 178.056 176.117 -0.454 0.000 1.097 355 I CA 1.970 62.815 61.300 -0.758 0.000 1.363 355 I CB -1.685 35.846 38.000 -0.781 0.000 1.051 355 I HN 0.386 nan 8.210 nan 0.000 0.413 356 N N 1.465 119.979 118.700 -0.311 0.000 2.166 356 N HA -0.230 4.510 4.740 0.000 0.000 0.186 356 N C 1.897 177.281 175.510 -0.210 0.000 1.019 356 N CA 1.777 54.719 53.050 -0.181 0.000 0.856 356 N CB -0.183 38.245 38.487 -0.099 0.000 0.993 356 N HN 0.369 nan 8.380 nan 0.000 0.426 357 M N -0.663 118.781 119.600 -0.260 0.000 2.229 357 M HA 0.028 4.508 4.480 0.000 0.000 0.264 357 M C 1.481 177.592 176.300 -0.315 0.000 1.063 357 M CA 1.531 56.687 55.300 -0.239 0.000 1.114 357 M CB -0.553 31.923 32.600 -0.205 0.000 1.387 357 M HN 0.090 nan 8.290 nan 0.000 0.420 358 L N -0.004 120.922 121.223 -0.495 0.000 2.072 358 L HA -0.047 4.293 4.340 0.000 0.000 0.205 358 L C 2.477 179.117 176.870 -0.382 0.000 1.079 358 L CA 1.318 55.791 54.840 -0.610 0.000 0.752 358 L CB -0.749 40.605 42.059 -1.174 0.000 0.906 358 L HN 0.416 nan 8.230 nan 0.000 0.436 359 E N -0.366 119.657 120.200 -0.295 0.000 2.150 359 E HA -0.170 4.180 4.350 0.000 0.000 0.193 359 E C 1.565 178.088 176.600 -0.128 0.000 0.985 359 E CA 1.694 57.993 56.400 -0.169 0.000 0.814 359 E CB -0.101 29.523 29.700 -0.128 0.000 0.752 359 E HN 0.508 nan 8.360 nan 0.000 0.466 360 T N -0.847 113.628 114.554 -0.132 0.000 3.244 360 T HA 0.175 4.526 4.350 0.000 0.000 0.254 360 T C 0.356 175.003 174.700 -0.090 0.000 1.024 360 T CA -0.403 61.640 62.100 -0.094 0.000 0.920 360 T CB -0.024 68.797 68.868 -0.078 0.000 1.042 360 T HN -0.134 nan 8.240 nan 0.000 0.572 361 K N 1.348 121.685 120.400 -0.105 0.000 2.380 361 K HA 0.111 4.431 4.320 0.000 0.000 0.267 361 K C 0.812 177.374 176.600 -0.064 0.000 0.990 361 K CA 0.165 56.398 56.287 -0.089 0.000 0.946 361 K CB 0.689 33.131 32.500 -0.096 0.000 0.937 361 K HN 0.390 nan 8.250 nan 0.000 0.491 362 E N 1.260 121.429 120.200 -0.053 0.000 2.290 362 E HA -0.007 4.344 4.350 0.000 0.000 0.197 362 E C -0.341 176.238 176.600 -0.035 0.000 0.948 362 E CA 0.612 56.989 56.400 -0.040 0.000 0.895 362 E CB 0.567 30.247 29.700 -0.034 0.000 0.865 362 E HN 0.507 nan 8.360 nan 0.000 0.486 363 E N -0.622 119.556 120.200 -0.037 0.000 2.383 363 E HA 0.596 4.946 4.350 0.000 0.000 0.275 363 E C -0.392 176.187 176.600 -0.036 0.000 0.918 363 E CA -0.681 55.700 56.400 -0.033 0.000 0.764 363 E CB 2.516 32.200 29.700 -0.027 0.000 1.252 363 E HN 0.143 nan 8.360 nan 0.000 0.449 364 G N 1.345 110.125 108.800 -0.033 0.000 2.347 364 G HA2 -0.053 3.907 3.960 0.000 0.000 0.341 364 G HA3 -0.053 3.907 3.960 0.000 0.000 0.341 364 G C -1.622 173.257 174.900 -0.034 0.000 1.287 364 G CA -1.100 43.979 45.100 -0.034 0.000 0.984 364 G HN 0.439 nan 8.290 nan 0.000 0.526 365 D N 0.126 120.504 120.400 -0.036 0.000 2.425 365 D HA 0.371 5.011 4.640 0.000 0.000 0.247 365 D C 0.862 177.136 176.300 -0.044 0.000 1.147 365 D CA -0.097 53.882 54.000 -0.035 0.000 0.879 365 D CB 1.440 42.219 40.800 -0.035 0.000 1.179 365 D HN 0.521 nan 8.370 nan 0.000 0.456 366 L N 2.665 123.865 121.223 -0.038 0.000 2.525 366 L HA -0.013 4.327 4.340 0.000 0.000 0.278 366 L C 0.042 176.865 176.870 -0.079 0.000 1.218 366 L CA 0.891 55.703 54.840 -0.045 0.000 0.878 366 L CB 0.158 42.205 42.059 -0.021 0.000 1.127 366 L HN 0.307 nan 8.230 nan 0.000 0.492 367 Q N 3.461 123.181 119.800 -0.133 0.000 2.433 367 Q HA 0.252 4.592 4.340 0.000 0.000 0.279 367 Q C 0.459 176.245 176.000 -0.356 0.000 1.105 367 Q CA -0.562 55.045 55.803 -0.326 0.000 0.815 367 Q CB 1.494 30.015 28.738 -0.362 0.000 1.403 367 Q HN 0.656 nan 8.270 nan 0.000 0.435 368 F N -0.828 118.895 119.950 -0.380 0.000 2.333 368 F HA -0.173 4.354 4.527 0.000 0.000 0.300 368 F C 1.126 176.724 175.800 -0.337 0.000 1.083 368 F CA 0.949 58.693 58.000 -0.427 0.000 1.395 368 F CB -0.768 37.720 39.000 -0.854 0.000 1.056 368 F HN 0.514 nan 8.300 nan 0.000 0.529 369 Y N 1.101 121.189 120.300 -0.353 0.000 2.128 369 Y HA -0.231 4.319 4.550 0.000 0.000 0.284 369 Y C 2.496 178.242 175.900 -0.258 0.000 1.154 369 Y CA 1.784 59.651 58.100 -0.388 0.000 1.149 369 Y CB -1.379 36.805 38.460 -0.460 0.000 0.976 369 Y HN 0.142 nan 8.280 nan 0.000 0.505 370 Q N -0.497 119.280 119.800 -0.039 0.000 2.297 370 Q HA -0.055 4.285 4.340 0.000 0.000 0.204 370 Q C 2.319 178.286 176.000 -0.054 0.000 0.962 370 Q CA 1.005 56.777 55.803 -0.052 0.000 0.879 370 Q CB -0.455 28.251 28.738 -0.052 0.000 0.947 370 Q HN 0.337 nan 8.270 nan 0.000 0.462 371 V N -0.378 119.502 119.914 -0.057 0.000 2.307 371 V HA -0.261 3.859 4.120 0.000 0.000 0.245 371 V C 1.502 177.512 176.094 -0.140 0.000 1.045 371 V CA 1.699 63.945 62.300 -0.090 0.000 1.024 371 V CB -0.611 31.198 31.823 -0.024 0.000 0.651 371 V HN 0.395 nan 8.190 nan 0.000 0.449 372 Y N 0.481 120.773 120.300 -0.014 0.000 2.274 372 Y HA -0.203 4.347 4.550 0.000 0.000 0.290 372 Y C 2.700 178.486 175.900 -0.191 0.000 1.145 372 Y CA 1.721 59.758 58.100 -0.105 0.000 1.203 372 Y CB -0.293 38.093 38.460 -0.124 0.000 0.984 372 Y HN 0.316 nan 8.280 nan 0.000 0.533 373 N N 0.545 119.222 118.700 -0.039 0.000 2.084 373 N HA -0.224 4.517 4.740 0.000 0.000 0.190 373 N C 2.025 177.486 175.510 -0.081 0.000 1.030 373 N CA 1.241 54.227 53.050 -0.107 0.000 0.849 373 N CB -0.159 38.276 38.487 -0.087 0.000 1.012 373 N HN 0.353 nan 8.380 nan 0.000 0.423 374 A N 1.456 124.256 122.820 -0.033 0.000 1.933 374 A HA -0.087 4.234 4.320 0.000 0.000 0.218 374 A C 2.277 179.904 177.584 0.071 0.000 1.175 374 A CA 0.913 52.978 52.037 0.047 0.000 0.628 374 A CB -0.603 18.399 19.000 0.003 0.000 0.814 374 A HN 0.381 nan 8.150 nan 0.000 0.444 375 I N 0.033 120.565 120.570 -0.064 0.000 2.179 375 I HA -0.270 3.900 4.170 0.000 0.000 0.242 375 I C 2.074 178.082 176.117 -0.182 0.000 1.088 375 I CA 1.232 62.404 61.300 -0.214 0.000 1.357 375 I CB -0.507 37.263 38.000 -0.383 0.000 1.051 375 I HN 0.309 nan 8.210 nan 0.000 0.409 376 N N 1.129 119.704 118.700 -0.208 0.000 2.149 376 N HA -0.159 4.581 4.740 0.000 0.000 0.188 376 N C 1.420 176.835 175.510 -0.158 0.000 1.019 376 N CA 1.186 54.072 53.050 -0.274 0.000 0.857 376 N CB -0.519 37.641 38.487 -0.546 0.000 0.997 376 N HN 0.389 nan 8.380 nan 0.000 0.426 377 N N -0.086 118.550 118.700 -0.106 0.000 2.463 377 N HA -0.044 4.696 4.740 0.000 0.000 0.181 377 N C 0.491 175.820 175.510 -0.302 0.000 1.078 377 N CA 0.661 53.612 53.050 -0.165 0.000 0.902 377 N CB 0.075 38.461 38.487 -0.168 0.000 0.970 377 N HN 0.496 nan 8.380 nan 0.000 0.451 378 H N -1.264 117.819 119.070 0.022 0.000 3.440 378 H HA 0.437 4.993 4.556 0.000 0.000 0.259 378 H C 0.301 175.739 175.328 0.184 0.000 1.120 378 H CA -0.142 55.963 56.048 0.094 0.000 1.191 378 H CB 0.602 30.435 29.762 0.118 0.000 1.537 378 H HN 0.038 nan 8.280 nan 0.000 0.547 379 A N 0.801 123.781 122.820 0.267 0.000 2.407 379 A HA 0.175 4.495 4.320 0.000 0.000 0.248 379 A C -0.226 177.488 177.584 0.217 0.000 1.082 379 A CA -0.452 51.790 52.037 0.342 0.000 0.785 379 A CB 0.211 19.277 19.000 0.111 0.000 1.020 379 A HN 0.175 nan 8.150 nan 0.000 0.489 380 D N 0.627 121.166 120.400 0.231 0.000 2.382 380 D HA 0.088 4.728 4.640 0.000 0.000 0.240 380 D C 1.555 177.925 176.300 0.117 0.000 1.146 380 D CA 0.382 54.463 54.000 0.135 0.000 0.897 380 D CB 0.716 41.577 40.800 0.100 0.000 1.197 380 D HN 0.743 nan 8.370 nan 0.000 0.432 381 E N 0.698 120.954 120.200 0.094 0.000 2.265 381 E HA -0.207 4.143 4.350 0.000 0.000 0.196 381 E C 0.308 176.966 176.600 0.096 0.000 0.996 381 E CA 0.964 57.426 56.400 0.102 0.000 0.832 381 E CB 0.023 29.778 29.700 0.092 0.000 0.756 381 E HN 0.391 nan 8.360 nan 0.000 0.491 382 D N 0.918 121.354 120.400 0.061 0.000 2.463 382 D HA 0.206 4.846 4.640 0.000 0.000 0.224 382 D C 0.145 176.437 176.300 -0.014 0.000 1.174 382 D CA -0.245 53.770 54.000 0.026 0.000 0.829 382 D CB 0.136 40.931 40.800 -0.008 0.000 0.993 382 D HN 0.260 nan 8.370 nan 0.000 0.497 383 A N 0.659 123.480 122.820 0.001 0.000 2.520 383 A HA 0.332 4.652 4.320 0.000 0.000 0.235 383 A C 0.315 177.743 177.584 -0.260 0.000 1.065 383 A CA 0.028 52.004 52.037 -0.102 0.000 0.764 383 A CB 0.131 19.068 19.000 -0.105 0.000 1.002 383 A HN 0.406 nan 8.150 nan 0.000 0.502 384 I N 1.059 121.459 120.570 -0.284 0.000 2.412 384 I HA 0.330 4.500 4.170 0.000 0.000 0.296 384 I C -1.170 174.771 176.117 -0.294 0.000 0.987 384 I CA -0.250 60.905 61.300 -0.241 0.000 1.180 384 I CB 1.325 39.133 38.000 -0.320 0.000 1.340 384 I HN 0.619 nan 8.210 nan 0.000 0.455 385 Y N 3.871 124.283 120.300 0.187 0.000 2.328 385 Y HA 0.307 4.857 4.550 0.001 0.000 0.336 385 Y C 0.355 176.326 175.900 0.119 0.000 0.960 385 Y CA -0.593 57.601 58.100 0.157 0.000 1.134 385 Y CB 1.953 40.494 38.460 0.135 0.000 1.166 385 Y HN 0.393 nan 8.280 nan 0.000 0.464 386 S N 5.254 121.096 115.700 0.236 0.000 2.461 386 S HA 0.534 5.004 4.470 0.000 0.000 0.322 386 S C -0.793 173.821 174.600 0.024 0.000 1.063 386 S CA -0.633 57.690 58.200 0.205 0.000 1.120 386 S CB -0.316 63.017 63.200 0.221 0.000 0.968 386 S HN 0.452 nan 8.310 nan 0.000 0.467 387 I N 4.319 124.761 120.570 -0.212 0.000 2.336 387 I HA 0.386 4.556 4.170 0.000 0.000 0.292 387 I C 0.814 176.847 176.117 -0.138 0.000 0.991 387 I CA -0.625 60.530 61.300 -0.242 0.000 1.227 387 I CB 1.168 38.791 38.000 -0.629 0.000 1.366 387 I HN 0.594 nan 8.210 nan 0.000 0.466 388 D N 4.376 124.762 120.400 -0.025 0.000 2.433 388 D HA 0.287 4.927 4.640 0.000 0.000 0.255 388 D C -0.688 175.610 176.300 -0.003 0.000 1.226 388 D CA -0.243 53.757 54.000 -0.001 0.000 1.015 388 D CB 2.073 42.898 40.800 0.041 0.000 1.091 388 D HN 0.102 nan 8.370 nan 0.000 0.527 389 V N 0.502 120.415 119.914 -0.002 0.000 2.383 389 V HA 0.674 4.795 4.120 0.000 0.000 0.275 389 V C 0.808 176.891 176.094 -0.019 0.000 1.036 389 V CA 0.056 62.346 62.300 -0.017 0.000 0.889 389 V CB 0.638 32.444 31.823 -0.027 0.000 0.985 389 V HN 0.738 nan 8.190 nan 0.000 0.459 390 G N 3.374 112.141 108.800 -0.055 0.000 2.316 390 G HA2 0.079 4.040 3.960 0.000 0.000 0.296 390 G HA3 0.079 4.040 3.960 0.000 0.000 0.296 390 G C 0.076 174.899 174.900 -0.128 0.000 1.399 390 G CA -0.106 44.967 45.100 -0.045 0.000 0.833 390 G HN 0.478 nan 8.290 nan 0.000 0.565 391 N N -0.782 117.871 118.700 -0.077 0.000 2.106 391 N HA -0.127 4.614 4.740 0.000 0.000 0.188 391 N C 2.236 177.587 175.510 -0.264 0.000 1.029 391 N CA 1.583 54.556 53.050 -0.128 0.000 0.848 391 N CB 0.079 38.611 38.487 0.075 0.000 1.007 391 N HN 0.369 nan 8.380 nan 0.000 0.423 392 S N -0.403 115.111 115.700 -0.311 0.000 2.382 392 S HA -0.132 4.338 4.470 0.000 0.000 0.228 392 S C 2.090 176.448 174.600 -0.402 0.000 1.027 392 S CA 1.787 59.584 58.200 -0.671 0.000 0.991 392 S CB -0.474 62.300 63.200 -0.711 0.000 0.823 392 S HN 0.642 nan 8.310 nan 0.000 0.469 393 T N 0.291 114.816 114.554 -0.049 0.000 2.809 393 T HA -0.008 4.342 4.350 0.000 0.000 0.260 393 T C 1.736 176.505 174.700 0.115 0.000 1.039 393 T CA 0.653 62.853 62.100 0.166 0.000 1.141 393 T CB -0.344 68.621 68.868 0.161 0.000 0.869 393 T HN 0.121 nan 8.240 nan 0.000 0.437 394 Q N 0.763 120.579 119.800 0.026 0.000 2.226 394 Q HA -0.026 4.315 4.340 0.000 0.000 0.204 394 Q C 2.346 178.343 176.000 -0.005 0.000 0.975 394 Q CA 1.347 57.196 55.803 0.076 0.000 0.866 394 Q CB -1.077 27.661 28.738 -0.001 0.000 0.915 394 Q HN 0.551 nan 8.270 nan 0.000 0.440 395 T N 0.899 115.378 114.554 -0.126 0.000 3.163 395 T HA -0.056 4.295 4.350 0.000 0.000 0.260 395 T C 1.783 176.325 174.700 -0.263 0.000 1.156 395 T CA 0.926 62.921 62.100 -0.175 0.000 1.072 395 T CB -0.080 68.626 68.868 -0.269 0.000 0.937 395 T HN 0.500 nan 8.240 nan 0.000 0.528 396 S N 1.640 117.168 115.700 -0.287 0.000 2.419 396 S HA -0.154 4.316 4.470 0.000 0.000 0.235 396 S C 1.880 176.201 174.600 -0.464 0.000 1.019 396 S CA 1.330 59.155 58.200 -0.625 0.000 0.982 396 S CB -0.831 62.291 63.200 -0.129 0.000 0.789 396 S HN 0.725 nan 8.310 nan 0.000 0.490 397 I N -0.273 120.060 120.570 -0.394 0.000 2.916 397 I HA 0.144 4.315 4.170 0.000 0.000 0.267 397 I C 2.088 177.919 176.117 -0.476 0.000 1.263 397 I CA 0.691 61.551 61.300 -0.733 0.000 1.471 397 I CB -0.561 36.678 38.000 -1.268 0.000 1.089 397 I HN 0.092 nan 8.210 nan 0.000 0.468 398 R N -0.549 119.714 120.500 -0.394 0.000 2.280 398 R HA 0.157 4.497 4.340 0.000 0.000 0.195 398 R C 1.262 177.084 176.300 -0.797 0.000 0.935 398 R CA 0.466 56.244 56.100 -0.536 0.000 1.033 398 R CB -0.135 29.805 30.300 -0.600 0.000 0.964 398 R HN 0.549 nan 8.270 nan 0.000 0.489 399 H N -0.407 118.468 119.070 -0.326 0.000 2.545 399 H HA 0.194 4.750 4.556 0.000 0.000 0.251 399 H C 0.527 175.670 175.328 -0.309 0.000 0.934 399 H CA -0.147 55.713 56.048 -0.312 0.000 1.116 399 H CB 0.344 29.886 29.762 -0.367 0.000 1.439 399 H HN -0.048 nan 8.280 nan 0.000 0.445 400 L N 3.166 124.226 121.223 -0.271 0.000 2.559 400 L HA -0.029 4.311 4.340 0.000 0.000 0.274 400 L C 0.257 177.054 176.870 -0.123 0.000 1.205 400 L CA 0.544 55.204 54.840 -0.301 0.000 0.907 400 L CB 0.188 42.002 42.059 -0.408 0.000 1.153 400 L HN 0.189 nan 8.230 nan 0.000 0.490 401 H N 4.759 123.585 119.070 -0.406 0.000 2.855 401 H HA 0.259 4.815 4.556 0.000 0.000 0.238 401 H C -0.018 175.154 175.328 -0.260 0.000 1.847 401 H CA -0.638 54.977 56.048 -0.723 0.000 1.368 401 H CB 0.112 28.935 29.762 -1.565 0.000 1.758 401 H HN 0.530 nan 8.280 nan 0.000 0.546 402 M N 1.135 120.855 119.600 0.200 0.000 2.267 402 M HA 0.286 4.766 4.480 0.000 0.000 0.303 402 M C 0.667 177.202 176.300 0.393 0.000 1.164 402 M CA -0.242 55.225 55.300 0.278 0.000 1.060 402 M CB 1.567 34.308 32.600 0.235 0.000 1.455 402 M HN 0.414 nan 8.290 nan 0.000 0.483 403 T N -3.239 111.492 114.554 0.295 0.000 2.787 403 T HA 0.418 4.768 4.350 0.000 0.000 0.297 403 T C -2.656 172.133 174.700 0.147 0.000 1.221 403 T CA -1.454 60.783 62.100 0.229 0.000 1.006 403 T CB 1.341 70.341 68.868 0.220 0.000 1.328 403 T HN 0.270 nan 8.240 nan 0.000 0.509 404 P HA 0.043 nan 4.420 nan 0.000 0.226 404 P C 0.964 178.294 177.300 0.049 0.000 1.146 404 P CA 0.834 63.950 63.100 0.026 0.000 0.773 404 P CB -0.005 31.674 31.700 -0.036 0.000 0.772 405 K N -1.154 119.291 120.400 0.075 0.000 2.365 405 K HA -0.014 4.306 4.320 0.000 0.000 0.199 405 K C 0.512 177.156 176.600 0.074 0.000 1.045 405 K CA 0.569 56.893 56.287 0.062 0.000 0.962 405 K CB -0.299 32.244 32.500 0.072 0.000 0.759 405 K HN 0.355 nan 8.250 nan 0.000 0.469 406 N N -0.081 118.701 118.700 0.137 0.000 2.478 406 N HA 0.354 5.094 4.740 0.000 0.000 0.275 406 N C -0.666 174.975 175.510 0.218 0.000 1.221 406 N CA -0.317 52.850 53.050 0.194 0.000 0.979 406 N CB 1.038 39.733 38.487 0.346 0.000 1.202 406 N HN -0.156 nan 8.380 nan 0.000 0.564 407 M N 0.805 120.581 119.600 0.294 0.000 2.326 407 M HA 0.276 4.756 4.480 0.000 0.000 0.292 407 M C -1.907 174.752 176.300 0.598 0.000 1.081 407 M CA -0.462 55.073 55.300 0.392 0.000 0.919 407 M CB 2.459 35.294 32.600 0.391 0.000 1.634 407 M HN 0.636 nan 8.290 nan 0.000 0.451 408 W N 5.028 126.544 121.300 0.359 0.000 2.647 408 W HA 0.571 5.231 4.660 -0.000 0.000 0.328 408 W C -1.323 175.337 176.519 0.236 0.000 1.018 408 W CA -0.416 57.142 57.345 0.355 0.000 1.245 408 W CB 1.054 30.668 29.460 0.257 0.000 1.356 408 W HN 0.468 nan 8.180 nan 0.000 0.443 409 R N 3.820 124.354 120.500 0.056 0.000 2.771 409 R HA 0.670 5.010 4.340 0.000 0.000 0.274 409 R C -0.686 175.368 176.300 -0.410 0.000 0.987 409 R CA -0.761 55.234 56.100 -0.176 0.000 0.908 409 R CB 2.046 31.975 30.300 -0.619 0.000 1.213 409 R HN 0.541 nan 8.270 nan 0.000 0.468 410 T N -1.408 112.982 114.554 -0.274 0.000 2.606 410 T HA 0.284 4.634 4.350 0.000 0.000 0.289 410 T C -1.158 173.505 174.700 -0.061 0.000 1.113 410 T CA -0.288 61.677 62.100 -0.224 0.000 1.106 410 T CB 1.244 69.937 68.868 -0.292 0.000 1.611 410 T HN 0.354 nan 8.240 nan 0.000 0.471 411 S N 1.983 117.683 115.700 0.000 0.000 2.426 411 S HA 0.465 4.935 4.470 0.000 0.000 0.236 411 S C -1.748 172.913 174.600 0.101 0.000 1.368 411 S CA -1.555 56.684 58.200 0.064 0.000 1.154 411 S CB 1.157 64.405 63.200 0.079 0.000 1.037 411 S HN 0.525 nan 8.310 nan 0.000 0.481 412 P HA 0.002 nan 4.420 nan 0.000 0.222 412 P C 0.999 178.393 177.300 0.157 0.000 1.153 412 P CA 0.344 63.555 63.100 0.185 0.000 0.798 412 P CB 0.351 32.190 31.700 0.230 0.000 0.796 413 L N -2.320 118.989 121.223 0.144 0.000 2.588 413 L HA 0.322 4.662 4.340 0.000 0.000 0.194 413 L C 2.212 179.181 176.870 0.165 0.000 1.070 413 L CA 0.679 55.592 54.840 0.121 0.000 0.852 413 L CB -1.311 40.813 42.059 0.108 0.000 1.199 413 L HN -0.278 nan 8.230 nan 0.000 0.486 414 F N 2.014 121.997 119.950 0.053 0.000 2.325 414 F HA 0.263 4.791 4.527 0.000 0.000 0.299 414 F C 1.525 177.356 175.800 0.052 0.000 1.090 414 F CA 0.608 58.649 58.000 0.067 0.000 1.392 414 F CB -0.370 38.686 39.000 0.094 0.000 1.053 414 F HN 0.233 nan 8.300 nan 0.000 0.521 415 A N 1.168 124.024 122.820 0.061 0.000 2.610 415 A HA -0.241 4.080 4.320 0.000 0.000 0.299 415 A C 0.699 178.202 177.584 -0.136 0.000 1.487 415 A CA 0.970 52.990 52.037 -0.029 0.000 0.743 415 A CB -2.643 16.341 19.000 -0.026 0.000 1.070 415 A HN 0.492 nan 8.150 nan 0.000 0.439 416 T N 0.689 115.199 114.554 -0.072 0.000 2.832 416 T HA 0.561 4.912 4.350 0.000 0.000 0.296 416 T C 0.635 175.313 174.700 -0.036 0.000 0.968 416 T CA -0.184 61.863 62.100 -0.088 0.000 1.107 416 T CB 0.004 68.933 68.868 0.101 0.000 0.916 416 T HN 0.463 nan 8.240 nan 0.000 0.517 417 M N 3.623 123.185 119.600 -0.063 0.000 2.240 417 M HA 0.369 4.850 4.480 0.000 0.000 0.333 417 M C 1.574 177.851 176.300 -0.037 0.000 1.110 417 M CA 1.121 56.395 55.300 -0.043 0.000 1.173 417 M CB 0.637 33.203 32.600 -0.057 0.000 1.458 417 M HN 1.008 nan 8.290 nan 0.000 0.458 418 G N 1.498 110.284 108.800 -0.024 0.000 2.157 418 G HA2 -0.239 3.721 3.960 0.000 0.000 0.239 418 G HA3 -0.239 3.721 3.960 0.000 0.000 0.239 418 G C 0.409 175.298 174.900 -0.017 0.000 0.982 418 G CA 0.243 45.322 45.100 -0.035 0.000 0.650 418 G HN 0.684 nan 8.290 nan 0.000 0.527 419 I N 1.038 121.607 120.570 -0.001 0.000 2.761 419 I HA 0.432 4.603 4.170 0.000 0.000 0.261 419 I C 2.661 178.790 176.117 0.020 0.000 1.198 419 I CA 1.994 63.297 61.300 0.005 0.000 1.482 419 I CB -0.222 37.781 38.000 0.004 0.000 1.100 419 I HN 0.400 nan 8.210 nan 0.000 0.445 420 A N 0.860 123.699 122.820 0.032 0.000 1.851 420 A HA -0.205 4.115 4.320 0.000 0.000 0.216 420 A C 2.315 179.945 177.584 0.077 0.000 1.195 420 A CA 2.209 54.281 52.037 0.059 0.000 0.622 420 A CB -1.051 17.991 19.000 0.070 0.000 0.831 420 A HN 0.422 nan 8.150 nan 0.000 0.444 421 I N 0.001 120.615 120.570 0.074 0.000 2.208 421 I HA -0.190 3.980 4.170 0.000 0.000 0.245 421 I C -0.610 175.537 176.117 0.050 0.000 1.097 421 I CA 1.530 62.873 61.300 0.072 0.000 1.363 421 I CB -1.045 36.996 38.000 0.069 0.000 1.051 421 I HN 0.238 nan 8.210 nan 0.000 0.413 422 P HA -0.120 nan 4.420 nan 0.000 0.216 422 P C 1.623 178.941 177.300 0.030 0.000 1.153 422 P CA 1.663 64.760 63.100 -0.006 0.000 0.848 422 P CB -0.207 31.470 31.700 -0.039 0.000 0.787 423 G N -0.293 108.563 108.800 0.092 0.000 2.422 423 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 423 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 423 G C 1.791 176.825 174.900 0.224 0.000 1.146 423 G CA 0.948 46.199 45.100 0.252 0.000 0.769 423 G HN 0.351 nan 8.290 nan 0.000 0.547 424 G N 0.715 109.578 108.800 0.104 0.000 2.422 424 G HA2 -0.117 3.844 3.960 0.000 0.000 0.218 424 G HA3 -0.117 3.844 3.960 0.000 0.000 0.218 424 G C 1.795 176.704 174.900 0.015 0.000 1.146 424 G CA 0.684 45.797 45.100 0.022 0.000 0.769 424 G HN 0.429 nan 8.290 nan 0.000 0.547 425 L N 0.602 121.854 121.223 0.049 0.000 2.027 425 L HA 0.051 4.392 4.340 0.000 0.000 0.206 425 L C 3.195 180.120 176.870 0.091 0.000 1.074 425 L CA 1.057 55.939 54.840 0.070 0.000 0.745 425 L CB -0.665 41.452 42.059 0.095 0.000 0.898 425 L HN 0.312 nan 8.230 nan 0.000 0.433 426 G N -0.516 108.334 108.800 0.083 0.000 2.418 426 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 426 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 426 G C 1.740 176.706 174.900 0.110 0.000 1.158 426 G CA 0.863 46.033 45.100 0.117 0.000 0.771 426 G HN 0.468 nan 8.290 nan 0.000 0.545 427 A N 0.701 123.541 122.820 0.033 0.000 1.855 427 A HA 0.032 4.352 4.320 0.000 0.000 0.215 427 A C 2.238 179.811 177.584 -0.019 0.000 1.191 427 A CA 2.276 54.233 52.037 -0.133 0.000 0.613 427 A CB -0.408 18.209 19.000 -0.638 0.000 0.829 427 A HN 0.300 nan 8.150 nan 0.000 0.442 428 K N 0.631 121.012 120.400 -0.032 0.000 2.147 428 K HA -0.118 4.203 4.320 0.000 0.000 0.205 428 K C 1.829 178.423 176.600 -0.010 0.000 1.049 428 K CA 1.623 57.906 56.287 -0.007 0.000 0.936 428 K CB -0.498 31.995 32.500 -0.012 0.000 0.722 428 K HN 0.646 nan 8.250 nan 0.000 0.446 429 N N -1.149 117.544 118.700 -0.011 0.000 2.188 429 N HA -0.119 4.621 4.740 0.000 0.000 0.184 429 N C 0.796 176.247 175.510 -0.098 0.000 1.018 429 N CA 1.571 54.600 53.050 -0.035 0.000 0.858 429 N CB 0.150 38.646 38.487 0.016 0.000 0.989 429 N HN 0.185 nan 8.380 nan 0.000 0.426 430 T N -0.784 113.666 114.554 -0.175 0.000 2.937 430 T HA -0.011 4.339 4.350 0.000 0.000 0.260 430 T C -0.204 174.106 174.700 -0.650 0.000 1.051 430 T CA 0.923 62.749 62.100 -0.456 0.000 1.141 430 T CB -0.049 68.428 68.868 -0.652 0.000 0.879 430 T HN 0.231 nan 8.240 nan 0.000 0.459 431 Y N 1.222 121.509 120.300 -0.022 0.000 2.748 431 Y HA 0.319 4.869 4.550 0.000 0.000 0.359 431 Y C -1.933 173.944 175.900 -0.038 0.000 1.030 431 Y CA -3.123 54.960 58.100 -0.029 0.000 1.169 431 Y CB 0.968 39.401 38.460 -0.046 0.000 1.127 431 Y HN 0.023 nan 8.280 nan 0.000 0.644 432 P HA -0.162 nan 4.420 nan 0.000 0.219 432 P C 0.104 177.424 177.300 0.033 0.000 1.146 432 P CA 1.600 64.719 63.100 0.032 0.000 0.808 432 P CB 0.567 32.276 31.700 0.015 0.000 0.779 433 D N -0.805 119.625 120.400 0.050 0.000 2.427 433 D HA 0.108 4.748 4.640 0.000 0.000 0.224 433 D C 0.662 176.974 176.300 0.020 0.000 1.157 433 D CA 0.005 54.023 54.000 0.029 0.000 0.828 433 D CB 0.558 41.377 40.800 0.031 0.000 0.974 433 D HN 0.217 nan 8.370 nan 0.000 0.498 434 R N 1.034 121.547 120.500 0.023 0.000 2.589 434 R HA 0.224 4.564 4.340 0.000 0.000 0.293 434 R C -0.239 176.025 176.300 -0.060 0.000 0.963 434 R CA -0.602 55.488 56.100 -0.018 0.000 0.905 434 R CB 1.718 32.000 30.300 -0.030 0.000 1.144 434 R HN -0.101 nan 8.270 nan 0.000 0.459 435 Q N 2.777 122.532 119.800 -0.076 0.000 2.286 435 Q HA 0.205 4.545 4.340 0.000 0.000 0.267 435 Q C -1.274 174.627 176.000 -0.165 0.000 1.028 435 Q CA -0.092 55.631 55.803 -0.133 0.000 0.901 435 Q CB 0.914 29.614 28.738 -0.062 0.000 1.183 435 Q HN 0.340 nan 8.270 nan 0.000 0.392 436 V N 5.299 125.060 119.914 -0.255 0.000 2.487 436 V HA 0.398 4.518 4.120 0.000 0.000 0.298 436 V C -1.137 174.794 176.094 -0.271 0.000 1.028 436 V CA -0.715 61.461 62.300 -0.206 0.000 0.860 436 V CB 1.088 32.811 31.823 -0.167 0.000 0.991 436 V HN 0.747 nan 8.190 nan 0.000 0.427 437 W N 3.021 124.214 121.300 -0.177 0.000 2.587 437 W HA 0.577 5.237 4.660 0.001 0.000 0.324 437 W C -0.004 176.513 176.519 -0.003 0.000 1.040 437 W CA -0.600 56.704 57.345 -0.068 0.000 1.222 437 W CB 1.183 30.649 29.460 0.010 0.000 1.381 437 W HN 0.355 nan 8.180 nan 0.000 0.483 438 N N 3.738 122.561 118.700 0.205 0.000 2.476 438 N HA 0.427 5.168 4.740 0.000 0.000 0.257 438 N C -0.985 174.601 175.510 0.125 0.000 0.970 438 N CA -0.454 52.680 53.050 0.141 0.000 0.938 438 N CB 1.379 39.919 38.487 0.089 0.000 1.144 438 N HN 0.320 nan 8.380 nan 0.000 0.500 439 I N 3.961 124.612 120.570 0.136 0.000 2.312 439 I HA 0.440 4.610 4.170 0.000 0.000 0.290 439 I C -0.012 176.149 176.117 0.073 0.000 1.008 439 I CA -0.454 60.902 61.300 0.093 0.000 1.226 439 I CB 0.614 38.746 38.000 0.220 0.000 1.371 439 I HN 0.225 nan 8.210 nan 0.000 0.468 440 I N 4.485 125.046 120.570 -0.016 0.000 2.730 440 I HA 0.578 4.748 4.170 0.000 0.000 0.298 440 I C 0.429 176.587 176.117 0.068 0.000 1.089 440 I CA -0.812 60.509 61.300 0.035 0.000 1.041 440 I CB 2.100 40.117 38.000 0.028 0.000 1.235 440 I HN 0.515 nan 8.210 nan 0.000 0.423 441 G N 1.244 110.130 108.800 0.142 0.000 2.451 441 G HA2 0.276 4.236 3.960 0.000 0.000 0.303 441 G HA3 0.276 4.236 3.960 0.000 0.000 0.303 441 G C 0.377 175.350 174.900 0.122 0.000 1.166 441 G CA -0.332 44.878 45.100 0.183 0.000 0.884 441 G HN 0.809 nan 8.290 nan 0.000 0.514 442 D N 0.296 120.778 120.400 0.136 0.000 2.178 442 D HA -0.089 4.552 4.640 0.000 0.000 0.201 442 D C 2.124 178.487 176.300 0.106 0.000 0.980 442 D CA 1.309 55.381 54.000 0.120 0.000 0.842 442 D CB -0.717 40.259 40.800 0.293 0.000 0.948 442 D HN 0.467 nan 8.370 nan 0.000 0.472 443 G N 0.614 109.486 108.800 0.119 0.000 2.404 443 G HA2 -0.109 3.851 3.960 0.000 0.000 0.215 443 G HA3 -0.109 3.851 3.960 0.000 0.000 0.215 443 G C 1.778 176.713 174.900 0.059 0.000 1.174 443 G CA 1.345 46.510 45.100 0.109 0.000 0.780 443 G HN 0.513 nan 8.290 nan 0.000 0.537 444 A N 0.114 122.978 122.820 0.074 0.000 1.929 444 A HA 0.159 4.479 4.320 0.000 0.000 0.216 444 A C 2.140 179.771 177.584 0.079 0.000 1.176 444 A CA 1.333 53.398 52.037 0.046 0.000 0.628 444 A CB -0.495 18.537 19.000 0.053 0.000 0.816 444 A HN 0.332 nan 8.150 nan 0.000 0.444 445 F N 1.549 121.467 119.950 -0.053 0.000 2.134 445 F HA -0.135 4.392 4.527 0.000 0.000 0.299 445 F C 2.413 178.249 175.800 0.061 0.000 1.097 445 F CA 1.692 59.659 58.000 -0.054 0.000 1.264 445 F CB -0.410 38.454 39.000 -0.227 0.000 1.001 445 F HN 0.190 nan 8.300 nan 0.000 0.479 446 S N 0.040 115.796 115.700 0.095 0.000 2.469 446 S HA -0.154 4.316 4.470 0.000 0.000 0.238 446 S C 1.839 176.293 174.600 -0.243 0.000 0.998 446 S CA 1.270 59.484 58.200 0.024 0.000 0.957 446 S CB -0.360 62.891 63.200 0.085 0.000 0.764 446 S HN 0.420 nan 8.310 nan 0.000 0.514 447 M N 0.510 119.993 119.600 -0.195 0.000 2.509 447 M HA 0.048 4.528 4.480 0.000 0.000 0.250 447 M C 1.389 177.503 176.300 -0.310 0.000 1.132 447 M CA 0.858 56.018 55.300 -0.233 0.000 1.080 447 M CB 0.082 32.585 32.600 -0.162 0.000 1.408 447 M HN 0.393 nan 8.290 nan 0.000 0.484 448 T N -4.482 109.874 114.554 -0.331 0.000 3.186 448 T HA 0.061 4.412 4.350 0.000 0.000 0.292 448 T C 1.181 175.678 174.700 -0.338 0.000 0.915 448 T CA -0.457 61.464 62.100 -0.299 0.000 0.902 448 T CB -0.706 68.061 68.868 -0.169 0.000 1.192 448 T HN 0.466 nan 8.240 nan 0.000 0.563 449 Y N 1.448 121.388 120.300 -0.599 0.000 2.465 449 Y HA 0.214 4.764 4.550 0.000 0.000 0.289 449 Y C -1.263 174.448 175.900 -0.315 0.000 1.150 449 Y CA 0.119 57.761 58.100 -0.763 0.000 1.293 449 Y CB -1.898 35.666 38.460 -1.494 0.000 0.977 449 Y HN 0.230 nan 8.280 nan 0.000 0.556 450 P HA -0.121 nan 4.420 nan 0.000 0.220 450 P C 0.800 178.108 177.300 0.015 0.000 1.148 450 P CA 1.800 64.882 63.100 -0.030 0.000 0.803 450 P CB 0.044 31.682 31.700 -0.103 0.000 0.782 451 D N -1.231 119.162 120.400 -0.012 0.000 2.336 451 D HA -0.008 4.632 4.640 0.000 0.000 0.229 451 D C 1.581 177.917 176.300 0.061 0.000 1.061 451 D CA 0.297 54.317 54.000 0.033 0.000 0.875 451 D CB 0.210 41.024 40.800 0.023 0.000 0.904 451 D HN 0.005 nan 8.370 nan 0.000 0.525 452 V N 0.467 120.422 119.914 0.069 0.000 2.490 452 V HA -0.172 3.948 4.120 0.000 0.000 0.250 452 V C 2.462 178.607 176.094 0.084 0.000 1.061 452 V CA 0.856 63.216 62.300 0.099 0.000 1.064 452 V CB -0.075 31.831 31.823 0.139 0.000 0.670 452 V HN 0.114 nan 8.190 nan 0.000 0.461 453 V N 0.015 119.973 119.914 0.073 0.000 2.720 453 V HA -0.245 3.876 4.120 0.000 0.000 0.256 453 V C 2.396 178.528 176.094 0.064 0.000 1.082 453 V CA 2.631 64.964 62.300 0.055 0.000 1.101 453 V CB -0.359 31.491 31.823 0.046 0.000 0.693 453 V HN 0.703 nan 8.190 nan 0.000 0.479 454 T N 0.523 115.137 114.554 0.101 0.000 2.777 454 T HA -0.151 4.200 4.350 0.000 0.000 0.266 454 T C 1.601 176.422 174.700 0.201 0.000 1.040 454 T CA 1.995 64.201 62.100 0.177 0.000 1.141 454 T CB -0.397 68.578 68.868 0.178 0.000 0.868 454 T HN 0.593 nan 8.240 nan 0.000 0.444 455 N N 0.647 119.426 118.700 0.132 0.000 2.166 455 N HA -0.060 4.680 4.740 0.000 0.000 0.186 455 N C 1.814 177.376 175.510 0.086 0.000 1.019 455 N CA 0.749 53.865 53.050 0.111 0.000 0.856 455 N CB -0.407 38.125 38.487 0.074 0.000 0.993 455 N HN 0.131 nan 8.380 nan 0.000 0.426 456 V N 0.828 120.774 119.914 0.054 0.000 2.261 456 V HA -0.216 3.905 4.120 0.000 0.000 0.246 456 V C 2.330 178.412 176.094 -0.020 0.000 1.047 456 V CA 1.625 63.931 62.300 0.010 0.000 1.015 456 V CB -0.485 31.332 31.823 -0.009 0.000 0.642 456 V HN 0.271 nan 8.190 nan 0.000 0.446 457 R N -1.007 119.463 120.500 -0.051 0.000 2.096 457 R HA -0.173 4.167 4.340 0.000 0.000 0.235 457 R C 1.932 178.069 176.300 -0.273 0.000 1.127 457 R CA 1.813 57.803 56.100 -0.185 0.000 0.968 457 R CB -0.201 29.936 30.300 -0.272 0.000 0.861 457 R HN 0.567 nan 8.270 nan 0.000 0.440 458 Y N 0.978 121.278 120.300 -0.001 0.000 2.461 458 Y HA 0.203 4.753 4.550 0.000 0.000 0.277 458 Y C 0.004 175.901 175.900 -0.006 0.000 1.182 458 Y CA -0.256 57.840 58.100 -0.006 0.000 1.276 458 Y CB 0.187 38.639 38.460 -0.015 0.000 1.087 458 Y HN 0.099 nan 8.280 nan 0.000 0.519 459 N N 0.741 119.493 118.700 0.087 0.000 2.714 459 N HA -0.226 4.514 4.740 0.000 0.000 0.253 459 N C -0.733 174.818 175.510 0.069 0.000 1.024 459 N CA 1.024 54.111 53.050 0.061 0.000 0.726 459 N CB -1.361 37.153 38.487 0.045 0.000 0.908 459 N HN 0.441 nan 8.380 nan 0.000 0.542 460 M N 0.039 119.685 119.600 0.077 0.000 2.561 460 M HA 0.226 4.706 4.480 0.000 0.000 0.266 460 M C -2.487 173.830 176.300 0.028 0.000 1.080 460 M CA -1.409 53.922 55.300 0.051 0.000 0.993 460 M CB 1.355 33.993 32.600 0.064 0.000 1.303 460 M HN -0.260 nan 8.290 nan 0.000 0.462 461 P HA 0.029 nan 4.420 nan 0.000 0.261 461 P C -0.678 176.585 177.300 -0.061 0.000 1.203 461 P CA -0.008 63.086 63.100 -0.010 0.000 0.767 461 P CB 0.305 31.999 31.700 -0.009 0.000 0.785 462 V N 1.827 121.701 119.914 -0.068 0.000 3.102 462 V HA 0.592 4.712 4.120 0.000 0.000 0.312 462 V C -0.511 175.482 176.094 -0.168 0.000 1.135 462 V CA -1.137 61.086 62.300 -0.128 0.000 1.022 462 V CB 2.405 34.189 31.823 -0.066 0.000 1.056 462 V HN 0.189 nan 8.190 nan 0.000 0.436 463 I N 2.922 123.322 120.570 -0.285 0.000 2.359 463 I HA 0.403 4.573 4.170 0.000 0.000 0.284 463 I C -0.348 175.689 176.117 -0.135 0.000 1.018 463 I CA -0.320 60.792 61.300 -0.314 0.000 1.173 463 I CB 0.941 38.491 38.000 -0.750 0.000 1.326 463 I HN 0.639 nan 8.210 nan 0.000 0.462 464 N N 6.391 125.044 118.700 -0.079 0.000 2.419 464 N HA 0.279 5.019 4.740 0.000 0.000 0.264 464 N C -0.726 174.693 175.510 -0.152 0.000 1.031 464 N CA -0.255 52.753 53.050 -0.070 0.000 0.951 464 N CB 2.583 41.045 38.487 -0.042 0.000 1.101 464 N HN 0.207 nan 8.380 nan 0.000 0.488 465 V N 3.190 123.000 119.914 -0.173 0.000 2.334 465 V HA 0.259 4.379 4.120 0.000 0.000 0.281 465 V C 0.149 175.912 176.094 -0.551 0.000 1.016 465 V CA -0.726 61.379 62.300 -0.324 0.000 0.832 465 V CB 1.533 33.191 31.823 -0.275 0.000 0.999 465 V HN 0.285 nan 8.190 nan 0.000 0.439 466 V N 5.642 125.196 119.914 -0.601 0.000 2.398 466 V HA 0.470 4.590 4.120 0.000 0.000 0.286 466 V C -0.404 175.409 176.094 -0.469 0.000 1.026 466 V CA -0.483 61.451 62.300 -0.610 0.000 0.868 466 V CB 1.510 32.838 31.823 -0.825 0.000 0.982 466 V HN 0.680 nan 8.190 nan 0.000 0.443 467 F N 2.452 122.338 119.950 -0.108 0.000 2.368 467 F HA 0.326 4.854 4.527 0.001 0.000 0.362 467 F C 0.985 176.813 175.800 0.047 0.000 1.137 467 F CA -0.077 57.906 58.000 -0.030 0.000 1.161 467 F CB 1.090 40.075 39.000 -0.026 0.000 1.265 467 F HN 0.385 nan 8.300 nan 0.000 0.530 468 S N 3.150 119.000 115.700 0.250 0.000 2.409 468 S HA 0.122 4.592 4.470 0.000 0.000 0.308 468 S C 0.416 175.147 174.600 0.218 0.000 1.080 468 S CA -0.714 57.653 58.200 0.279 0.000 1.081 468 S CB -0.002 63.371 63.200 0.288 0.000 1.009 468 S HN 0.663 nan 8.310 nan 0.000 0.502 469 N N 1.745 120.568 118.700 0.206 0.000 2.365 469 N HA 0.132 4.872 4.740 0.000 0.000 0.257 469 N C 0.514 176.086 175.510 0.103 0.000 1.287 469 N CA -0.204 52.926 53.050 0.134 0.000 0.882 469 N CB -0.216 38.343 38.487 0.119 0.000 1.250 469 N HN 0.358 nan 8.380 nan 0.000 0.507 470 T N 0.035 114.691 114.554 0.171 0.000 13.716 470 T HA -0.306 4.044 4.350 0.000 0.000 0.419 470 T C -0.115 174.595 174.700 0.017 0.000 1.441 470 T CA 1.903 64.102 62.100 0.165 0.000 2.346 470 T CB -1.266 67.629 68.868 0.044 0.000 2.783 470 T HN 0.549 nan 8.240 nan 0.000 0.472 471 E N 1.509 121.650 120.200 -0.100 0.000 2.354 471 E HA 0.285 4.635 4.350 0.000 0.000 0.269 471 E C -0.690 175.778 176.600 -0.220 0.000 1.036 471 E CA -0.242 55.988 56.400 -0.284 0.000 0.876 471 E CB 0.220 29.786 29.700 -0.224 0.000 1.009 471 E HN 0.426 nan 8.360 nan 0.000 0.416 472 Y N 1.223 121.532 120.300 0.014 0.000 2.745 472 Y HA -0.046 4.505 4.550 0.000 0.000 0.335 472 Y C 1.281 177.190 175.900 0.016 0.000 1.212 472 Y CA 0.043 58.163 58.100 0.034 0.000 1.535 472 Y CB -0.258 38.233 38.460 0.052 0.000 1.220 472 Y HN 0.633 nan 8.280 nan 0.000 0.531 473 A N 4.271 127.198 122.820 0.179 0.000 1.865 473 A HA -0.241 4.080 4.320 0.000 0.000 0.217 473 A C 1.945 179.641 177.584 0.187 0.000 1.191 473 A CA 1.673 53.787 52.037 0.129 0.000 0.623 473 A CB -0.882 18.185 19.000 0.112 0.000 0.826 473 A HN 0.769 nan 8.150 nan 0.000 0.444 474 F N 0.802 120.797 119.950 0.074 0.000 2.146 474 F HA -0.124 4.403 4.527 0.001 0.000 0.298 474 F C 1.933 177.805 175.800 0.120 0.000 1.096 474 F CA 1.133 59.179 58.000 0.077 0.000 1.275 474 F CB -0.143 38.892 39.000 0.059 0.000 1.008 474 F HN 0.140 nan 8.300 nan 0.000 0.480 475 I N 0.542 121.174 120.570 0.104 0.000 2.493 475 I HA -0.238 3.932 4.170 0.000 0.000 0.254 475 I C 2.197 178.354 176.117 0.066 0.000 1.160 475 I CA 1.160 62.506 61.300 0.076 0.000 1.445 475 I CB -1.515 36.630 38.000 0.242 0.000 1.086 475 I HN 0.206 nan 8.210 nan 0.000 0.433 476 K N 1.335 121.710 120.400 -0.042 0.000 2.555 476 K HA -0.065 4.255 4.320 0.000 0.000 0.193 476 K C 0.582 177.140 176.600 -0.070 0.000 1.032 476 K CA 0.589 56.709 56.287 -0.278 0.000 1.004 476 K CB 0.122 32.398 32.500 -0.373 0.000 0.804 476 K HN 0.316 nan 8.250 nan 0.000 0.496 477 N N 0.670 119.388 118.700 0.030 0.000 2.282 477 N HA 0.067 4.807 4.740 0.000 0.000 0.240 477 N C -0.503 175.048 175.510 0.069 0.000 1.182 477 N CA 0.092 53.189 53.050 0.077 0.000 0.874 477 N CB 1.101 39.612 38.487 0.039 0.000 1.126 477 N HN 0.085 nan 8.380 nan 0.000 0.516 478 K N -0.110 120.410 120.400 0.199 0.000 2.644 478 K HA 0.214 4.534 4.320 0.000 0.000 0.198 478 K C -0.460 176.265 176.600 0.208 0.000 1.113 478 K CA -0.077 56.291 56.287 0.134 0.000 1.073 478 K CB 0.632 33.114 32.500 -0.030 0.000 0.811 478 K HN -0.007 nan 8.250 nan 0.000 0.508 479 Y N -0.155 120.247 120.300 0.171 0.000 2.641 479 Y HA 0.223 4.775 4.550 0.003 0.000 0.248 479 Y C 1.350 177.268 175.900 0.029 0.000 1.170 479 Y CA -0.261 57.908 58.100 0.115 0.000 1.201 479 Y CB 0.817 39.395 38.460 0.195 0.000 1.232 479 Y HN 0.139 nan 8.280 nan 0.000 0.537 480 E N -0.831 119.498 120.200 0.214 0.000 2.661 480 E HA 0.001 4.351 4.350 0.000 0.000 0.202 480 E C 0.549 177.217 176.600 0.113 0.000 0.911 480 E CA 0.362 56.845 56.400 0.137 0.000 1.581 480 E CB 0.427 30.244 29.700 0.195 0.000 1.667 480 E HN 0.153 nan 8.360 nan 0.000 0.911 481 D N 0.586 121.062 120.400 0.127 0.000 2.349 481 D HA -0.022 4.618 4.640 0.000 0.000 0.224 481 D C 1.321 177.664 176.300 0.072 0.000 1.029 481 D CA 1.534 55.595 54.000 0.102 0.000 0.879 481 D CB 1.062 41.926 40.800 0.106 0.000 0.906 481 D HN 0.348 nan 8.370 nan 0.000 0.528 482 T N -3.806 110.777 114.554 0.048 0.000 3.336 482 T HA 0.058 4.408 4.350 0.000 0.000 0.273 482 T C 0.908 175.600 174.700 -0.014 0.000 0.932 482 T CA -0.330 61.779 62.100 0.015 0.000 0.995 482 T CB 0.585 69.448 68.868 -0.008 0.000 1.213 482 T HN -0.162 nan 8.240 nan 0.000 0.502 483 N N 1.181 119.862 118.700 -0.033 0.000 2.531 483 N HA 0.611 5.351 4.740 0.000 0.000 0.301 483 N C 0.519 176.017 175.510 -0.020 0.000 1.310 483 N CA -0.568 52.447 53.050 -0.058 0.000 0.949 483 N CB 0.597 39.002 38.487 -0.137 0.000 1.111 483 N HN 0.224 nan 8.380 nan 0.000 0.565 484 K N -1.260 119.123 120.400 -0.030 0.000 2.589 484 K HA 0.283 4.603 4.320 0.000 0.000 0.218 484 K C -0.469 176.105 176.600 -0.043 0.000 1.468 484 K CA -0.269 56.004 56.287 -0.023 0.000 1.002 484 K CB 0.511 33.003 32.500 -0.015 0.000 1.200 484 K HN 0.312 nan 8.250 nan 0.000 0.614 485 N N 1.094 119.765 118.700 -0.048 0.000 2.495 485 N HA 0.155 4.895 4.740 0.000 0.000 0.294 485 N C 0.490 175.898 175.510 -0.169 0.000 1.276 485 N CA -0.425 52.587 53.050 -0.063 0.000 0.973 485 N CB 0.556 39.035 38.487 -0.013 0.000 1.143 485 N HN -0.132 nan 8.380 nan 0.000 0.589 486 L N -0.695 120.410 121.223 -0.196 0.000 2.460 486 L HA 0.212 4.553 4.340 0.000 0.000 0.166 486 L C 0.178 176.648 176.870 -0.666 0.000 1.296 486 L CA 1.427 55.992 54.840 -0.458 0.000 2.800 486 L CB -0.355 41.588 42.059 -0.193 0.000 2.761 486 L HN 0.511 nan 8.230 nan 0.000 0.936 487 F N -1.904 118.044 119.950 -0.003 0.000 2.589 487 F HA 0.614 5.142 4.527 0.001 0.000 0.185 487 F C 0.580 176.265 175.800 -0.192 0.000 1.459 487 F CA -0.164 57.661 58.000 -0.291 0.000 1.115 487 F CB -0.483 38.322 39.000 -0.325 0.000 1.969 487 F HN 0.255 nan 8.300 nan 0.000 0.171 488 G N 0.345 109.184 108.800 0.064 0.000 2.743 488 G HA2 0.290 4.250 3.960 0.000 0.000 0.192 488 G HA3 0.290 4.250 3.960 0.000 0.000 0.192 488 G C -1.002 173.922 174.900 0.039 0.000 1.077 488 G CA -0.183 44.953 45.100 0.059 0.000 0.956 488 G HN 1.310 nan 8.290 nan 0.000 0.556 489 V N -2.383 117.519 119.914 -0.020 0.000 2.864 489 V HA 0.451 4.571 4.120 0.000 0.000 0.378 489 V C -0.019 175.959 176.094 -0.194 0.000 1.346 489 V CA -0.731 61.542 62.300 -0.045 0.000 1.328 489 V CB 0.013 31.831 31.823 -0.009 0.000 1.361 489 V HN 0.173 nan 8.190 nan 0.000 0.641 490 D N 1.745 122.106 120.400 -0.065 0.000 2.344 490 D HA 0.666 5.306 4.640 0.000 0.000 0.244 490 D C -0.875 175.462 176.300 0.062 0.000 1.134 490 D CA 0.364 54.343 54.000 -0.036 0.000 0.930 490 D CB 1.447 42.244 40.800 -0.005 0.000 1.175 490 D HN 0.480 nan 8.370 nan 0.000 0.437 491 F N 0.116 120.000 119.950 -0.109 0.000 2.622 491 F HA 0.244 4.772 4.527 0.000 0.000 0.318 491 F C 0.524 176.302 175.800 -0.037 0.000 1.135 491 F CA -0.525 57.440 58.000 -0.058 0.000 1.015 491 F CB 0.807 39.768 39.000 -0.066 0.000 1.275 491 F HN 0.317 nan 8.300 nan 0.000 0.457 492 T N 1.977 116.099 114.554 -0.721 0.000 3.101 492 T HA 0.008 4.358 4.350 0.000 0.000 0.214 492 T C -0.565 173.668 174.700 -0.779 0.000 1.259 492 T CA 1.762 63.494 62.100 -0.614 0.000 1.832 492 T CB -0.335 68.252 68.868 -0.469 0.000 1.077 492 T HN 0.678 nan 8.240 nan 0.000 0.356 493 D N 0.168 120.066 120.400 -0.837 0.000 2.676 493 D HA 0.185 4.825 4.640 0.000 0.000 0.170 493 D C -0.686 175.373 176.300 -0.401 0.000 1.202 493 D CA -0.218 53.465 54.000 -0.528 0.000 1.364 493 D CB -0.147 40.495 40.800 -0.264 0.000 1.411 493 D HN 0.381 nan 8.370 nan 0.000 0.664 494 V N 0.732 120.406 119.914 -0.400 0.000 3.003 494 V HA 0.553 4.674 4.120 0.000 0.000 0.305 494 V C 0.376 176.167 176.094 -0.506 0.000 1.078 494 V CA -0.261 61.837 62.300 -0.337 0.000 1.083 494 V CB 1.699 33.425 31.823 -0.161 0.000 1.039 494 V HN 0.484 nan 8.190 nan 0.000 0.481 495 D N 2.374 122.587 120.400 -0.312 0.000 2.470 495 D HA 0.198 4.838 4.640 0.000 0.000 0.226 495 D C 0.745 176.938 176.300 -0.180 0.000 1.196 495 D CA 0.165 54.026 54.000 -0.231 0.000 0.979 495 D CB -0.121 40.606 40.800 -0.122 0.000 1.059 495 D HN 0.717 nan 8.370 nan 0.000 0.515 496 Y N 1.580 121.874 120.300 -0.011 0.000 2.274 496 Y HA -0.221 4.329 4.550 0.000 0.000 0.290 496 Y C 2.451 178.335 175.900 -0.026 0.000 1.145 496 Y CA 0.780 58.868 58.100 -0.020 0.000 1.203 496 Y CB 0.047 38.513 38.460 0.011 0.000 0.984 496 Y HN 0.479 nan 8.280 nan 0.000 0.533 497 A N 0.380 123.257 122.820 0.096 0.000 1.933 497 A HA -0.223 4.098 4.320 0.000 0.000 0.218 497 A C 2.157 179.739 177.584 -0.003 0.000 1.175 497 A CA 1.819 53.877 52.037 0.034 0.000 0.628 497 A CB -0.537 18.462 19.000 -0.001 0.000 0.814 497 A HN 0.412 nan 8.150 nan 0.000 0.444 498 K N -0.323 120.067 120.400 -0.016 0.000 2.097 498 K HA -0.018 4.302 4.320 0.000 0.000 0.205 498 K C 1.776 178.371 176.600 -0.008 0.000 1.050 498 K CA 1.279 57.550 56.287 -0.026 0.000 0.938 498 K CB -0.272 32.206 32.500 -0.037 0.000 0.718 498 K HN 0.509 nan 8.250 nan 0.000 0.442 499 I N 0.903 121.475 120.570 0.004 0.000 2.226 499 I HA -0.260 3.910 4.170 0.000 0.000 0.245 499 I C 2.452 178.589 176.117 0.033 0.000 1.100 499 I CA 1.125 62.432 61.300 0.011 0.000 1.374 499 I CB -0.402 37.567 38.000 -0.053 0.000 1.057 499 I HN 0.248 nan 8.210 nan 0.000 0.413 500 A N 0.547 123.398 122.820 0.052 0.000 1.883 500 A HA -0.221 4.099 4.320 0.000 0.000 0.217 500 A C 2.233 179.827 177.584 0.017 0.000 1.186 500 A CA 1.621 53.694 52.037 0.060 0.000 0.624 500 A CB -0.489 18.554 19.000 0.072 0.000 0.822 500 A HN 0.365 nan 8.150 nan 0.000 0.444 501 E N -0.127 120.066 120.200 -0.011 0.000 2.077 501 E HA -0.161 4.190 4.350 0.000 0.000 0.193 501 E C 2.279 178.865 176.600 -0.022 0.000 0.989 501 E CA 1.245 57.624 56.400 -0.035 0.000 0.800 501 E CB -0.585 29.083 29.700 -0.053 0.000 0.746 501 E HN 0.599 nan 8.360 nan 0.000 0.452 502 A N 1.020 123.837 122.820 -0.006 0.000 2.070 502 A HA -0.184 4.136 4.320 0.000 0.000 0.220 502 A C 1.874 179.464 177.584 0.009 0.000 1.159 502 A CA 1.147 53.186 52.037 0.003 0.000 0.656 502 A CB -0.294 18.716 19.000 0.016 0.000 0.800 502 A HN 0.209 nan 8.150 nan 0.000 0.453 503 Q N -1.803 118.007 119.800 0.017 0.000 2.319 503 Q HA 0.312 4.652 4.340 0.000 0.000 0.202 503 Q C 1.007 177.005 176.000 -0.003 0.000 0.896 503 Q CA 0.321 56.137 55.803 0.022 0.000 0.942 503 Q CB 0.363 29.131 28.738 0.050 0.000 1.083 503 Q HN 0.816 nan 8.270 nan 0.000 0.510 504 G N 0.354 109.139 108.800 -0.025 0.000 2.157 504 G HA2 -0.256 3.704 3.960 0.000 0.000 0.239 504 G HA3 -0.256 3.704 3.960 0.000 0.000 0.239 504 G C 0.161 175.016 174.900 -0.074 0.000 0.982 504 G CA 0.018 45.083 45.100 -0.058 0.000 0.650 504 G HN 0.504 nan 8.290 nan 0.000 0.527 505 A N -0.707 122.091 122.820 -0.035 0.000 2.261 505 A HA 0.891 5.212 4.320 0.000 0.000 0.323 505 A C 0.178 177.749 177.584 -0.021 0.000 1.107 505 A CA 0.056 52.084 52.037 -0.015 0.000 0.883 505 A CB 1.071 20.092 19.000 0.035 0.000 1.251 505 A HN 0.784 nan 8.150 nan 0.000 0.502 506 K N 0.166 120.580 120.400 0.023 0.000 2.240 506 K HA 0.550 4.871 4.320 0.000 0.000 0.271 506 K C -0.047 176.515 176.600 -0.063 0.000 1.018 506 K CA 0.252 56.522 56.287 -0.028 0.000 0.874 506 K CB 0.825 33.378 32.500 0.088 0.000 1.098 506 K HN 0.842 nan 8.250 nan 0.000 0.458 507 G N 3.362 112.036 108.800 -0.210 0.000 2.388 507 G HA2 0.669 4.629 3.960 0.000 0.000 0.330 507 G HA3 0.669 4.629 3.960 0.000 0.000 0.330 507 G C -1.349 173.315 174.900 -0.394 0.000 1.142 507 G CA -0.505 44.505 45.100 -0.150 0.000 0.908 507 G HN 0.437 nan 8.290 nan 0.000 0.473 508 F N -0.325 119.606 119.950 -0.031 0.000 2.588 508 F HA 0.644 5.171 4.527 0.000 0.000 0.314 508 F C 0.290 176.066 175.800 -0.040 0.000 1.069 508 F CA -0.678 57.298 58.000 -0.039 0.000 0.931 508 F CB 3.050 42.018 39.000 -0.053 0.000 1.260 508 F HN 0.334 nan 8.300 nan 0.000 0.465 509 T N 1.990 116.631 114.554 0.145 0.000 2.921 509 T HA 0.625 4.975 4.350 0.000 0.000 0.297 509 T C -1.599 173.136 174.700 0.057 0.000 1.013 509 T CA -0.683 61.458 62.100 0.069 0.000 0.990 509 T CB 1.806 70.689 68.868 0.025 0.000 1.023 509 T HN 0.544 nan 8.240 nan 0.000 0.447 510 V N 2.779 122.712 119.914 0.030 0.000 2.808 510 V HA 0.753 4.873 4.120 0.000 0.000 0.308 510 V C -0.127 175.970 176.094 0.004 0.000 1.099 510 V CA -0.272 62.036 62.300 0.012 0.000 0.920 510 V CB 2.350 34.171 31.823 -0.004 0.000 1.014 510 V HN 1.019 nan 8.190 nan 0.000 0.425 511 S N 5.172 120.871 115.700 -0.001 0.000 2.911 511 S HA 0.499 4.969 4.470 0.000 0.000 0.261 511 S C 0.145 174.738 174.600 -0.012 0.000 1.021 511 S CA -0.596 57.602 58.200 -0.003 0.000 1.222 511 S CB 0.317 63.515 63.200 -0.004 0.000 1.171 511 S HN 0.632 nan 8.310 nan 0.000 0.669 512 R N 0.709 121.200 120.500 -0.015 0.000 2.621 512 R HA 0.545 4.886 4.340 0.000 0.000 0.292 512 R C 0.676 176.961 176.300 -0.024 0.000 0.969 512 R CA -0.712 55.376 56.100 -0.020 0.000 0.887 512 R CB 1.122 31.412 30.300 -0.017 0.000 1.180 512 R HN 0.148 nan 8.270 nan 0.000 0.450 513 I N 1.794 122.346 120.570 -0.030 0.000 2.208 513 I HA -0.300 3.870 4.170 0.000 0.000 0.245 513 I C 2.174 178.275 176.117 -0.028 0.000 1.097 513 I CA 1.495 62.775 61.300 -0.033 0.000 1.363 513 I CB -0.029 37.947 38.000 -0.040 0.000 1.051 513 I HN 0.606 nan 8.210 nan 0.000 0.413 514 E N 0.421 120.606 120.200 -0.024 0.000 2.472 514 E HA -0.197 4.154 4.350 0.000 0.000 0.200 514 E C 0.518 177.109 176.600 -0.015 0.000 1.046 514 E CA 1.006 57.394 56.400 -0.019 0.000 0.871 514 E CB -0.292 29.398 29.700 -0.017 0.000 0.806 514 E HN 0.542 nan 8.360 nan 0.000 0.533 515 D N -0.065 120.325 120.400 -0.017 0.000 2.417 515 D HA 0.064 4.704 4.640 0.000 0.000 0.207 515 D C 1.602 177.886 176.300 -0.027 0.000 1.075 515 D CA -0.036 53.955 54.000 -0.015 0.000 0.851 515 D CB 0.062 40.857 40.800 -0.009 0.000 0.976 515 D HN 0.092 nan 8.370 nan 0.000 0.505 516 M N 1.447 121.028 119.600 -0.033 0.000 2.080 516 M HA -0.172 4.308 4.480 0.000 0.000 0.260 516 M C 1.504 177.765 176.300 -0.064 0.000 1.068 516 M CA 1.669 56.939 55.300 -0.049 0.000 1.109 516 M CB -0.319 32.255 32.600 -0.043 0.000 1.342 516 M HN -0.145 nan 8.290 nan 0.000 0.405 517 D N -0.981 119.402 120.400 -0.029 0.000 2.097 517 D HA -0.213 4.427 4.640 0.000 0.000 0.195 517 D C 2.171 178.427 176.300 -0.073 0.000 0.989 517 D CA 1.598 55.598 54.000 0.001 0.000 0.827 517 D CB -0.158 40.685 40.800 0.072 0.000 0.966 517 D HN 0.384 nan 8.370 nan 0.000 0.456 518 R N -0.179 120.291 120.500 -0.050 0.000 2.073 518 R HA -0.108 4.233 4.340 0.000 0.000 0.234 518 R C 2.129 178.357 176.300 -0.120 0.000 1.134 518 R CA 1.295 57.360 56.100 -0.058 0.000 0.952 518 R CB -0.326 29.962 30.300 -0.019 0.000 0.850 518 R HN 0.132 nan 8.270 nan 0.000 0.433 519 V N 1.226 121.067 119.914 -0.122 0.000 2.343 519 V HA -0.271 3.849 4.120 0.000 0.000 0.247 519 V C 2.404 178.267 176.094 -0.385 0.000 1.051 519 V CA 1.929 64.116 62.300 -0.188 0.000 1.036 519 V CB -0.441 31.315 31.823 -0.112 0.000 0.654 519 V HN 0.410 nan 8.190 nan 0.000 0.451 520 M N 0.789 120.184 119.600 -0.342 0.000 2.159 520 M HA -0.047 4.433 4.480 0.000 0.000 0.263 520 M C 2.018 177.989 176.300 -0.548 0.000 1.063 520 M CA 2.057 57.109 55.300 -0.413 0.000 1.110 520 M CB -0.775 31.617 32.600 -0.346 0.000 1.374 520 M HN 0.256 nan 8.290 nan 0.000 0.411 521 A N -0.198 122.266 122.820 -0.593 0.000 1.902 521 A HA -0.183 4.137 4.320 0.000 0.000 0.217 521 A C 2.021 179.459 177.584 -0.244 0.000 1.181 521 A CA 1.963 53.747 52.037 -0.422 0.000 0.623 521 A CB -0.865 18.034 19.000 -0.170 0.000 0.818 521 A HN 0.677 nan 8.150 nan 0.000 0.443 522 E N -0.145 119.908 120.200 -0.244 0.000 2.106 522 E HA -0.063 4.287 4.350 0.000 0.000 0.192 522 E C 2.284 178.709 176.600 -0.292 0.000 0.984 522 E CA 0.797 57.103 56.400 -0.156 0.000 0.806 522 E CB -0.287 29.418 29.700 0.008 0.000 0.750 522 E HN 0.618 nan 8.360 nan 0.000 0.458 523 A N 1.224 123.627 122.820 -0.695 0.000 1.877 523 A HA -0.135 4.185 4.320 0.000 0.000 0.216 523 A C 2.543 179.923 177.584 -0.340 0.000 1.186 523 A CA 1.163 52.748 52.037 -0.753 0.000 0.620 523 A CB -0.700 17.788 19.000 -0.852 0.000 0.822 523 A HN 0.108 nan 8.150 nan 0.000 0.443 524 V N -0.062 119.674 119.914 -0.295 0.000 2.343 524 V HA -0.245 3.876 4.120 0.000 0.000 0.247 524 V C 3.059 179.067 176.094 -0.143 0.000 1.051 524 V CA 1.936 64.110 62.300 -0.210 0.000 1.036 524 V CB -1.273 30.494 31.823 -0.094 0.000 0.654 524 V HN 0.615 nan 8.190 nan 0.000 0.451 525 A N 0.011 122.764 122.820 -0.111 0.000 1.933 525 A HA -0.131 4.189 4.320 0.000 0.000 0.218 525 A C 2.414 179.938 177.584 -0.099 0.000 1.175 525 A CA 2.128 54.119 52.037 -0.077 0.000 0.628 525 A CB -0.744 18.227 19.000 -0.049 0.000 0.814 525 A HN 0.578 nan 8.150 nan 0.000 0.444 526 A N 0.021 122.792 122.820 -0.082 0.000 1.930 526 A HA -0.202 4.118 4.320 0.000 0.000 0.217 526 A C 2.057 179.554 177.584 -0.145 0.000 1.175 526 A CA 1.637 53.615 52.037 -0.098 0.000 0.627 526 A CB -0.714 18.355 19.000 0.115 0.000 0.815 526 A HN 0.689 nan 8.150 nan 0.000 0.443 527 N N -0.192 118.439 118.700 -0.114 0.000 2.188 527 N HA -0.136 4.604 4.740 0.000 0.000 0.184 527 N C 1.451 176.892 175.510 -0.115 0.000 1.018 527 N CA 1.258 54.237 53.050 -0.118 0.000 0.858 527 N CB -0.125 38.235 38.487 -0.212 0.000 0.989 527 N HN 0.491 nan 8.380 nan 0.000 0.426 528 K N 0.067 120.396 120.400 -0.119 0.000 2.439 528 K HA 0.061 4.382 4.320 0.000 0.000 0.197 528 K C 1.369 177.913 176.600 -0.093 0.000 1.041 528 K CA 0.559 56.792 56.287 -0.090 0.000 0.970 528 K CB 0.162 32.619 32.500 -0.071 0.000 0.773 528 K HN 0.166 nan 8.250 nan 0.000 0.479 529 A N 0.344 123.071 122.820 -0.155 0.000 2.307 529 A HA 0.259 4.579 4.320 0.000 0.000 0.218 529 A C 1.217 178.725 177.584 -0.127 0.000 1.228 529 A CA 0.562 52.479 52.037 -0.199 0.000 0.857 529 A CB -0.183 18.586 19.000 -0.386 0.000 0.897 529 A HN 0.346 nan 8.150 nan 0.000 0.495 530 G N -0.947 107.829 108.800 -0.040 0.000 2.141 530 G HA2 -0.218 3.743 3.960 0.000 0.000 0.242 530 G HA3 -0.218 3.743 3.960 0.000 0.000 0.242 530 G C -0.070 174.972 174.900 0.236 0.000 0.982 530 G CA 0.288 45.440 45.100 0.085 0.000 0.662 530 G HN 0.786 nan 8.290 nan 0.000 0.527 531 H N 0.100 119.160 119.070 -0.017 0.000 2.479 531 H HA 0.531 5.087 4.556 0.000 0.000 0.335 531 H C -0.107 175.211 175.328 -0.017 0.000 1.142 531 H CA -0.437 55.606 56.048 -0.009 0.000 1.234 531 H CB 1.422 31.187 29.762 0.006 0.000 1.503 531 H HN 0.113 nan 8.280 nan 0.000 0.510 532 T N 2.925 117.545 114.554 0.111 0.000 2.856 532 T HA 0.277 4.627 4.350 0.000 0.000 0.292 532 T C 0.047 174.794 174.700 0.078 0.000 0.980 532 T CA -0.677 61.455 62.100 0.054 0.000 1.091 532 T CB 0.542 69.436 68.868 0.044 0.000 0.936 532 T HN 0.411 nan 8.240 nan 0.000 0.503 533 V N 1.264 121.208 119.914 0.050 0.000 2.864 533 V HA 0.910 5.030 4.120 0.000 0.000 0.314 533 V C -0.796 175.340 176.094 0.069 0.000 1.073 533 V CA -0.856 61.508 62.300 0.108 0.000 0.956 533 V CB 2.084 33.985 31.823 0.129 0.000 1.023 533 V HN 0.545 nan 8.190 nan 0.000 0.435 534 V N 4.544 124.530 119.914 0.120 0.000 2.482 534 V HA 0.488 4.608 4.120 0.000 0.000 0.295 534 V C -0.350 175.788 176.094 0.073 0.000 1.026 534 V CA -0.214 62.106 62.300 0.035 0.000 0.856 534 V CB 1.463 33.316 31.823 0.050 0.000 1.001 534 V HN 0.819 nan 8.190 nan 0.000 0.424 535 I N 3.701 124.247 120.570 -0.041 0.000 2.306 535 I HA 0.316 4.486 4.170 0.000 0.000 0.288 535 I C -0.210 175.839 176.117 -0.113 0.000 1.036 535 I CA -0.288 60.992 61.300 -0.032 0.000 1.221 535 I CB 1.191 39.114 38.000 -0.129 0.000 1.385 535 I HN 0.496 nan 8.210 nan 0.000 0.472 536 D N 6.742 127.127 120.400 -0.024 0.000 2.374 536 D HA 0.142 4.783 4.640 0.000 0.000 0.240 536 D C -0.639 175.656 176.300 -0.009 0.000 1.229 536 D CA -0.244 53.753 54.000 -0.004 0.000 0.895 536 D CB 0.543 41.405 40.800 0.102 0.000 1.046 536 D HN 0.412 nan 8.370 nan 0.000 0.498 537 C N 6.249 125.510 119.300 -0.064 0.000 2.227 537 C HA 0.253 4.713 4.460 0.000 0.000 0.333 537 C C 0.442 175.471 174.990 0.065 0.000 1.145 537 C CA -1.144 57.860 59.018 -0.023 0.000 1.643 537 C CB -0.567 27.121 27.740 -0.087 0.000 2.185 537 C HN 0.287 nan 8.230 nan 0.000 0.497 538 K N 4.874 125.307 120.400 0.055 0.000 2.228 538 K HA 0.285 4.605 4.320 0.000 0.000 0.284 538 K C 0.225 176.861 176.600 0.060 0.000 1.088 538 K CA 0.414 56.740 56.287 0.065 0.000 0.941 538 K CB 0.159 32.678 32.500 0.032 0.000 1.158 538 K HN 0.803 nan 8.250 nan 0.000 0.438 539 I N -1.423 119.203 120.570 0.094 0.000 3.062 539 I HA 0.400 4.570 4.170 0.000 0.000 0.316 539 I C 0.897 177.030 176.117 0.026 0.000 1.041 539 I CA -0.945 60.391 61.300 0.060 0.000 1.069 539 I CB 1.145 39.210 38.000 0.108 0.000 1.300 539 I HN 0.333 nan 8.210 nan 0.000 0.518 540 T N -0.414 114.126 114.554 -0.023 0.000 2.729 540 T HA 0.125 4.475 4.350 0.000 0.000 0.298 540 T C 0.565 175.260 174.700 -0.009 0.000 1.013 540 T CA -0.007 62.075 62.100 -0.030 0.000 0.957 540 T CB 0.783 69.612 68.868 -0.064 0.000 1.130 540 T HN 0.746 nan 8.240 nan 0.000 0.526 541 Q N -0.020 119.772 119.800 -0.013 0.000 2.360 541 Q HA 0.153 4.493 4.340 0.000 0.000 0.202 541 Q C -0.316 175.694 176.000 0.016 0.000 0.915 541 Q CA -0.002 55.800 55.803 -0.002 0.000 0.943 541 Q CB -0.228 28.494 28.738 -0.026 0.000 1.064 541 Q HN 0.601 nan 8.270 nan 0.000 0.511 542 D N 1.069 121.467 120.400 -0.002 0.000 2.488 542 D HA -0.045 4.595 4.640 0.000 0.000 0.238 542 D C -0.079 176.315 176.300 0.156 0.000 1.138 542 D CA 0.508 54.525 54.000 0.028 0.000 0.873 542 D CB 0.560 41.326 40.800 -0.056 0.000 1.183 542 D HN 0.185 nan 8.370 nan 0.000 0.458 543 R N 2.606 123.257 120.500 0.251 0.000 2.604 543 R HA 0.404 4.745 4.340 0.000 0.000 0.287 543 R C -2.659 173.914 176.300 0.455 0.000 0.970 543 R CA -1.712 54.594 56.100 0.343 0.000 0.946 543 R CB 1.108 31.584 30.300 0.294 0.000 1.127 543 R HN 0.063 nan 8.270 nan 0.000 0.473 544 P HA 0.019 nan 4.420 nan 0.000 0.268 544 P C -0.202 177.192 177.300 0.156 0.000 1.205 544 P CA -0.074 63.281 63.100 0.425 0.000 0.771 544 P CB 0.430 32.296 31.700 0.277 0.000 0.858 545 I N 4.943 125.552 120.570 0.066 0.000 2.752 545 I HA 0.029 4.200 4.170 0.000 0.000 0.289 545 I C -1.869 174.086 176.117 -0.270 0.000 1.197 545 I CA -1.737 59.260 61.300 -0.505 0.000 1.432 545 I CB 0.544 38.413 38.000 -0.217 0.000 1.359 545 I HN 0.233 nan 8.210 nan 0.000 0.571 546 P HA -0.006 nan 4.420 nan 0.000 0.273 546 P C 0.686 177.981 177.300 -0.009 0.000 1.319 546 P CA -0.131 62.913 63.100 -0.093 0.000 0.885 546 P CB 0.760 32.447 31.700 -0.023 0.000 1.015 547 V N 1.740 121.637 119.914 -0.028 0.000 3.380 547 V HA -0.091 4.029 4.120 0.000 0.000 0.268 547 V C 1.799 177.858 176.094 -0.057 0.000 1.168 547 V CA 1.132 63.406 62.300 -0.045 0.000 1.156 547 V CB -1.067 30.690 31.823 -0.110 0.000 0.785 547 V HN 0.409 nan 8.190 nan 0.000 0.487 548 E N 1.252 121.404 120.200 -0.081 0.000 2.442 548 E HA -0.013 4.337 4.350 0.000 0.000 0.195 548 E C 0.359 176.969 176.600 0.017 0.000 1.030 548 E CA 0.862 57.229 56.400 -0.054 0.000 0.869 548 E CB -0.011 29.564 29.700 -0.207 0.000 0.857 548 E HN 0.586 nan 8.360 nan 0.000 0.505 549 T N 2.123 116.677 114.554 -0.001 0.000 3.305 549 T HA 0.364 4.714 4.350 0.000 0.000 0.348 549 T C -0.297 174.296 174.700 -0.177 0.000 1.394 549 T CA -0.460 61.632 62.100 -0.013 0.000 1.549 549 T CB 0.099 68.982 68.868 0.025 0.000 0.962 549 T HN 0.044 nan 8.240 nan 0.000 0.609 550 L N 2.737 123.853 121.223 -0.178 0.000 2.363 550 L HA 0.337 4.678 4.340 0.000 0.000 0.286 550 L C 0.732 177.157 176.870 -0.742 0.000 1.106 550 L CA -0.177 54.464 54.840 -0.332 0.000 0.859 550 L CB 0.121 42.136 42.059 -0.073 0.000 1.223 550 L HN 0.221 nan 8.230 nan 0.000 0.446 551 K N 5.555 125.024 120.400 -1.552 0.000 2.222 551 K HA 0.296 4.617 4.320 0.000 0.000 0.243 551 K C 0.314 176.480 176.600 -0.723 0.000 1.160 551 K CA -0.023 55.347 56.287 -1.529 0.000 1.090 551 K CB 0.542 32.146 32.500 -1.493 0.000 1.694 551 K HN 0.639 nan 8.250 nan 0.000 0.361 552 L N -0.711 120.331 121.223 -0.301 0.000 2.815 552 L HA 0.134 4.474 4.340 0.000 0.000 0.241 552 L C 0.509 177.397 176.870 0.030 0.000 1.047 552 L CA -0.199 54.610 54.840 -0.051 0.000 0.939 552 L CB 0.458 42.526 42.059 0.015 0.000 1.490 552 L HN 0.394 nan 8.230 nan 0.000 0.510 553 D N 1.182 121.630 120.400 0.080 0.000 2.343 553 D HA 0.017 4.657 4.640 0.000 0.000 0.255 553 D C 1.129 177.487 176.300 0.096 0.000 1.187 553 D CA 0.269 54.317 54.000 0.080 0.000 0.875 553 D CB 1.652 42.501 40.800 0.082 0.000 1.136 553 D HN 0.123 nan 8.370 nan 0.000 0.469 554 S N 3.275 119.002 115.700 0.044 0.000 2.547 554 S HA -0.096 4.374 4.470 0.000 0.000 0.235 554 S C 1.233 175.841 174.600 0.014 0.000 0.980 554 S CA 0.637 58.859 58.200 0.037 0.000 0.941 554 S CB 0.103 63.311 63.200 0.014 0.000 0.763 554 S HN 0.473 nan 8.310 nan 0.000 0.532 555 K N 0.165 120.562 120.400 -0.005 0.000 2.374 555 K HA 0.386 4.706 4.320 0.000 0.000 0.196 555 K C 0.980 177.539 176.600 -0.069 0.000 1.023 555 K CA 0.067 56.331 56.287 -0.040 0.000 1.103 555 K CB 0.159 32.623 32.500 -0.060 0.000 0.848 555 K HN 0.382 nan 8.250 nan 0.000 0.528 556 L N -0.863 120.325 121.223 -0.058 0.000 2.685 556 L HA 0.240 4.580 4.340 0.000 0.000 0.235 556 L C -0.196 176.342 176.870 -0.553 0.000 1.070 556 L CA 0.023 54.723 54.840 -0.234 0.000 0.888 556 L CB 0.469 42.468 42.059 -0.100 0.000 1.203 556 L HN -0.011 nan 8.230 nan 0.000 0.499 557 Y N -0.746 119.541 120.300 -0.022 0.000 2.609 557 Y HA 0.367 4.918 4.550 0.001 0.000 0.342 557 Y C 0.505 176.399 175.900 -0.011 0.000 1.058 557 Y CA -1.258 56.830 58.100 -0.021 0.000 1.055 557 Y CB 1.524 39.956 38.460 -0.046 0.000 1.292 557 Y HN -0.149 nan 8.280 nan 0.000 0.476 558 S N -0.391 115.404 115.700 0.159 0.000 2.624 558 S HA 0.192 4.662 4.470 0.000 0.000 0.263 558 S C 0.662 175.316 174.600 0.091 0.000 1.287 558 S CA -0.434 57.822 58.200 0.093 0.000 0.990 558 S CB 1.034 64.279 63.200 0.074 0.000 0.950 558 S HN 0.802 nan 8.310 nan 0.000 0.561 559 E N 0.683 120.920 120.200 0.061 0.000 2.058 559 E HA -0.182 4.168 4.350 0.000 0.000 0.194 559 E C 1.347 177.983 176.600 0.060 0.000 0.997 559 E CA 1.580 58.012 56.400 0.054 0.000 0.801 559 E CB -0.229 29.494 29.700 0.038 0.000 0.746 559 E HN 0.663 nan 8.360 nan 0.000 0.450 560 D N 0.792 121.227 120.400 0.059 0.000 2.104 560 D HA -0.170 4.470 4.640 0.000 0.000 0.194 560 D C 1.837 178.183 176.300 0.077 0.000 0.994 560 D CA 1.096 55.133 54.000 0.060 0.000 0.830 560 D CB -0.183 40.649 40.800 0.055 0.000 0.959 560 D HN 0.274 nan 8.370 nan 0.000 0.452 561 E N 0.326 120.581 120.200 0.092 0.000 2.038 561 E HA -0.140 4.210 4.350 0.000 0.000 0.195 561 E C 2.458 179.113 176.600 0.091 0.000 1.000 561 E CA 0.589 57.050 56.400 0.101 0.000 0.803 561 E CB -0.091 29.692 29.700 0.139 0.000 0.750 561 E HN 0.309 nan 8.360 nan 0.000 0.448 562 I N 1.138 121.754 120.570 0.077 0.000 2.163 562 I HA -0.304 3.866 4.170 0.000 0.000 0.243 562 I C 2.651 178.845 176.117 0.128 0.000 1.085 562 I CA 1.209 62.559 61.300 0.082 0.000 1.347 562 I CB -0.284 37.756 38.000 0.066 0.000 1.044 562 I HN 0.051 nan 8.210 nan 0.000 0.408 563 K N 1.268 121.723 120.400 0.092 0.000 2.032 563 K HA -0.202 4.118 4.320 0.000 0.000 0.209 563 K C 2.210 178.859 176.600 0.081 0.000 1.048 563 K CA 1.630 57.962 56.287 0.076 0.000 0.927 563 K CB -0.126 32.406 32.500 0.053 0.000 0.712 563 K HN 0.305 nan 8.250 nan 0.000 0.441 564 A N 0.093 122.969 122.820 0.092 0.000 1.898 564 A HA -0.178 4.142 4.320 0.000 0.000 0.216 564 A C 2.050 179.699 177.584 0.109 0.000 1.181 564 A CA 1.310 53.394 52.037 0.079 0.000 0.620 564 A CB -0.852 18.198 19.000 0.083 0.000 0.819 564 A HN 0.583 nan 8.150 nan 0.000 0.442 565 Y N 0.663 120.985 120.300 0.037 0.000 2.145 565 Y HA -0.214 4.337 4.550 0.001 0.000 0.286 565 Y C 2.344 178.320 175.900 0.126 0.000 1.145 565 Y CA 2.284 60.447 58.100 0.104 0.000 1.148 565 Y CB -0.099 38.397 38.460 0.059 0.000 0.981 565 Y HN 0.235 nan 8.280 nan 0.000 0.507 566 K N -0.322 120.176 120.400 0.164 0.000 2.026 566 K HA -0.230 4.091 4.320 0.000 0.000 0.208 566 K C 2.016 178.614 176.600 -0.003 0.000 1.048 566 K CA 1.637 57.961 56.287 0.061 0.000 0.929 566 K CB -0.195 32.355 32.500 0.084 0.000 0.713 566 K HN 0.205 nan 8.250 nan 0.000 0.439 567 E N 1.346 121.541 120.200 -0.009 0.000 2.077 567 E HA -0.178 4.173 4.350 0.000 0.000 0.193 567 E C 1.951 178.483 176.600 -0.113 0.000 0.989 567 E CA 1.314 57.690 56.400 -0.041 0.000 0.800 567 E CB -0.001 29.683 29.700 -0.026 0.000 0.746 567 E HN 0.131 nan 8.360 nan 0.000 0.452 568 R N -1.229 119.145 120.500 -0.209 0.000 2.081 568 R HA -0.129 4.211 4.340 0.000 0.000 0.235 568 R C 0.910 176.859 176.300 -0.585 0.000 1.131 568 R CA 1.447 57.279 56.100 -0.446 0.000 0.960 568 R CB -0.153 29.754 30.300 -0.655 0.000 0.856 568 R HN 0.267 nan 8.270 nan 0.000 0.436 569 Y N 0.684 120.912 120.300 -0.119 0.000 2.607 569 Y HA 0.260 4.810 4.550 -0.000 0.000 0.266 569 Y C -0.344 175.571 175.900 0.025 0.000 1.178 569 Y CA -0.346 57.712 58.100 -0.069 0.000 1.226 569 Y CB 0.279 38.618 38.460 -0.202 0.000 1.144 569 Y HN 0.141 nan 8.280 nan 0.000 0.528 570 E N -0.515 119.726 120.200 0.068 0.000 2.440 570 E HA -0.264 4.086 4.350 0.000 0.000 0.246 570 E C 0.626 177.342 176.600 0.193 0.000 1.165 570 E CA 0.442 56.891 56.400 0.082 0.000 0.726 570 E CB -1.209 28.508 29.700 0.028 0.000 1.271 570 E HN 0.499 nan 8.360 nan 0.000 0.397 571 A N -0.246 122.631 122.820 0.095 0.000 2.708 571 A HA 0.600 4.920 4.320 0.000 0.000 0.293 571 A C 1.905 179.487 177.584 -0.004 0.000 1.303 571 A CA 0.507 52.521 52.037 -0.038 0.000 0.949 571 A CB 0.149 18.996 19.000 -0.255 0.000 1.121 571 A HN 0.438 nan 8.150 nan 0.000 0.542 572 A N 0.958 123.799 122.820 0.036 0.000 1.948 572 A HA -0.212 4.108 4.320 0.000 0.000 0.220 572 A C 1.676 179.280 177.584 0.033 0.000 1.177 572 A CA 1.878 53.936 52.037 0.034 0.000 0.636 572 A CB -0.377 18.640 19.000 0.029 0.000 0.815 572 A HN 0.533 nan 8.150 nan 0.000 0.449 573 N N -0.413 118.311 118.700 0.039 0.000 2.398 573 N HA 0.146 4.886 4.740 0.000 0.000 0.188 573 N C 0.034 175.574 175.510 0.050 0.000 1.122 573 N CA 0.099 53.177 53.050 0.045 0.000 0.866 573 N CB -0.122 38.399 38.487 0.057 0.000 0.970 573 N HN 0.450 nan 8.380 nan 0.000 0.462 574 L N 1.267 122.497 121.223 0.012 0.000 2.416 574 L HA 0.158 4.498 4.340 0.000 0.000 0.272 574 L C -0.031 176.880 176.870 0.068 0.000 1.161 574 L CA -0.129 54.731 54.840 0.032 0.000 0.845 574 L CB 0.895 42.923 42.059 -0.052 0.000 1.119 574 L HN -0.251 nan 8.230 nan 0.000 0.464 575 V N 4.738 124.721 119.914 0.115 0.000 2.495 575 V HA 0.346 4.466 4.120 0.000 0.000 0.298 575 V C -1.999 174.135 176.094 0.068 0.000 1.031 575 V CA -1.751 60.565 62.300 0.027 0.000 0.871 575 V CB 1.814 33.562 31.823 -0.126 0.000 0.988 575 V HN 0.639 nan 8.190 nan 0.000 0.432 576 P HA -0.006 nan 4.420 nan 0.000 0.268 576 P C 0.686 178.072 177.300 0.143 0.000 1.204 576 P CA -0.012 63.140 63.100 0.086 0.000 0.768 576 P CB 0.704 32.428 31.700 0.040 0.000 0.842 577 F N 4.620 124.624 119.950 0.090 0.000 2.147 577 F HA -0.204 4.322 4.527 -0.000 0.000 0.301 577 F C 2.466 178.325 175.800 0.099 0.000 1.084 577 F CA 1.543 59.634 58.000 0.151 0.000 1.268 577 F CB -0.602 38.468 39.000 0.117 0.000 1.009 577 F HN 0.316 nan 8.300 nan 0.000 0.486 578 R N 0.495 120.966 120.500 -0.048 0.000 2.105 578 R HA -0.184 4.156 4.340 0.000 0.000 0.239 578 R C 2.183 178.368 176.300 -0.193 0.000 1.135 578 R CA 1.920 57.907 56.100 -0.189 0.000 0.967 578 R CB -0.346 29.881 30.300 -0.121 0.000 0.861 578 R HN 0.422 nan 8.270 nan 0.000 0.442 579 E N -0.700 119.387 120.200 -0.188 0.000 2.077 579 E HA -0.224 4.127 4.350 0.000 0.000 0.193 579 E C 1.801 178.259 176.600 -0.237 0.000 0.989 579 E CA 1.419 57.673 56.400 -0.243 0.000 0.800 579 E CB -0.163 29.324 29.700 -0.355 0.000 0.746 579 E HN 0.447 nan 8.360 nan 0.000 0.452 580 Y N 0.748 120.998 120.300 -0.084 0.000 2.242 580 Y HA -0.126 4.424 4.550 0.000 0.000 0.291 580 Y C 2.190 177.990 175.900 -0.166 0.000 1.137 580 Y CA 0.672 58.726 58.100 -0.078 0.000 1.181 580 Y CB -0.407 38.068 38.460 0.025 0.000 0.989 580 Y HN 0.005 nan 8.280 nan 0.000 0.527 581 L N -0.270 120.825 121.223 -0.213 0.000 2.017 581 L HA -0.223 4.117 4.340 0.000 0.000 0.208 581 L C 2.232 179.052 176.870 -0.085 0.000 1.073 581 L CA 1.625 56.328 54.840 -0.229 0.000 0.745 581 L CB -0.492 41.337 42.059 -0.383 0.000 0.894 581 L HN 0.232 nan 8.230 nan 0.000 0.432 582 E N -0.012 120.131 120.200 -0.095 0.000 2.153 582 E HA -0.193 4.158 4.350 0.000 0.000 0.194 582 E C 2.197 178.782 176.600 -0.024 0.000 0.988 582 E CA 0.970 57.337 56.400 -0.056 0.000 0.811 582 E CB -0.145 29.513 29.700 -0.070 0.000 0.746 582 E HN 0.495 nan 8.360 nan 0.000 0.466 583 A N 1.353 124.165 122.820 -0.013 0.000 2.067 583 A HA -0.145 4.175 4.320 0.000 0.000 0.219 583 A C 1.585 179.191 177.584 0.036 0.000 1.158 583 A CA 1.045 53.093 52.037 0.019 0.000 0.661 583 A CB 0.019 19.053 19.000 0.056 0.000 0.801 583 A HN 0.017 nan 8.150 nan 0.000 0.452 584 E N -1.240 118.983 120.200 0.039 0.000 2.465 584 E HA 0.268 4.619 4.350 0.000 0.000 0.195 584 E C 1.058 177.685 176.600 0.045 0.000 1.028 584 E CA 0.490 56.922 56.400 0.052 0.000 0.899 584 E CB -0.147 29.597 29.700 0.074 0.000 1.032 584 E HN 0.721 nan 8.360 nan 0.000 0.468 585 G N 1.109 109.924 108.800 0.026 0.000 2.159 585 G HA2 -0.281 3.679 3.960 0.000 0.000 0.256 585 G HA3 -0.281 3.679 3.960 0.000 0.000 0.256 585 G C 0.289 175.201 174.900 0.019 0.000 0.977 585 G CA 0.375 45.487 45.100 0.020 0.000 0.652 585 G HN 0.246 nan 8.290 nan 0.000 0.531 586 L N -0.260 120.975 121.223 0.020 0.000 2.365 586 L HA 0.797 5.137 4.340 0.000 0.000 0.267 586 L C 0.199 177.062 176.870 -0.012 0.000 1.033 586 L CA -1.077 53.775 54.840 0.021 0.000 0.802 586 L CB 1.104 43.200 42.059 0.062 0.000 1.267 586 L HN -0.005 nan 8.230 nan 0.000 0.457 587 E N 0.210 120.403 120.200 -0.012 0.000 2.312 587 E HA 0.247 4.598 4.350 0.000 0.000 0.267 587 E C -1.156 175.425 176.600 -0.032 0.000 0.894 587 E CA -0.529 55.851 56.400 -0.033 0.000 0.773 587 E CB 2.231 31.916 29.700 -0.026 0.000 1.241 587 E HN 0.445 nan 8.360 nan 0.000 0.432 588 S N 0.802 116.462 115.700 -0.068 0.000 2.560 588 S HA -0.008 4.463 4.470 0.000 0.000 0.284 588 S C 0.961 175.551 174.600 -0.018 0.000 1.327 588 S CA -0.040 58.118 58.200 -0.070 0.000 1.055 588 S CB 0.297 63.370 63.200 -0.212 0.000 0.868 588 S HN 0.538 nan 8.310 nan 0.000 0.506 589 K N 3.123 123.575 120.400 0.086 0.000 2.404 589 K HA 0.088 4.408 4.320 0.000 0.000 0.194 589 K C 0.788 177.504 176.600 0.194 0.000 1.023 589 K CA 0.419 56.777 56.287 0.120 0.000 1.094 589 K CB -0.111 32.469 32.500 0.134 0.000 0.841 589 K HN 0.879 nan 8.250 nan 0.000 0.523 590 Y N -1.721 118.604 120.300 0.042 0.000 2.450 590 Y HA 0.426 4.976 4.550 -0.000 0.000 0.279 590 Y C 0.148 176.065 175.900 0.028 0.000 1.106 590 Y CA -0.963 57.160 58.100 0.038 0.000 1.143 590 Y CB 0.442 38.935 38.460 0.055 0.000 1.328 590 Y HN -0.183 nan 8.280 nan 0.000 0.553 591 I N 4.600 124.757 120.570 -0.688 0.000 2.421 591 I HA 0.123 4.294 4.170 0.000 0.000 0.291 591 I C 0.303 176.298 176.117 -0.204 0.000 1.089 591 I CA 0.407 61.411 61.300 -0.493 0.000 1.354 591 I CB 0.182 37.855 38.000 -0.545 0.000 1.413 591 I HN 0.440 nan 8.210 nan 0.000 0.513 592 K N 0.000 120.333 120.400 -0.112 0.000 2.780 592 K HA 0.000 4.320 4.320 0.000 0.000 0.191 592 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 592 K CB 0.000 32.457 32.500 -0.071 0.000 1.064 592 K HN 0.000 nan 8.250 nan 0.000 0.543