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 1l1y_1_D DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 28 G C 0.000 174.875 174.900 -0.041 0.000 0.946 28 G CA 0.000 45.075 45.100 -0.042 0.000 0.502 29 P HA 0.353 nan 4.420 nan 0.000 0.276 29 P C -0.067 177.143 177.300 -0.151 0.000 1.235 29 P CA 0.207 63.258 63.100 -0.081 0.000 0.772 29 P CB 1.144 32.784 31.700 -0.100 0.000 0.871 30 T N -0.246 114.229 114.554 -0.132 0.000 2.916 30 T HA 0.482 4.832 4.350 -0.000 0.000 0.292 30 T C -0.094 174.466 174.700 -0.234 0.000 1.064 30 T CA -1.165 60.845 62.100 -0.150 0.000 1.011 30 T CB 1.191 70.026 68.868 -0.056 0.000 1.152 30 T HN 0.001 nan 8.240 nan 0.000 0.510 31 K N 1.221 121.428 120.400 -0.320 0.000 2.489 31 K HA 0.528 4.847 4.320 -0.000 0.000 0.278 31 K C 0.339 176.722 176.600 -0.361 0.000 1.000 31 K CA 0.138 56.130 56.287 -0.491 0.000 1.012 31 K CB 0.048 32.274 32.500 -0.458 0.000 0.903 31 K HN 0.861 nan 8.250 nan 0.000 0.485 32 A N 5.304 127.895 122.820 -0.382 0.000 2.401 32 A HA 0.269 4.589 4.320 -0.000 0.000 0.259 32 A C -1.521 175.885 177.584 -0.297 0.000 1.103 32 A CA -1.114 50.585 52.037 -0.563 0.000 0.789 32 A CB 0.074 18.785 19.000 -0.480 0.000 1.035 32 A HN 0.631 nan 8.150 nan 0.000 0.491 33 P HA -0.002 nan 4.420 nan 0.000 0.233 33 P C 0.357 177.634 177.300 -0.038 0.000 1.167 33 P CA 0.635 63.624 63.100 -0.184 0.000 0.770 33 P CB -0.278 31.292 31.700 -0.217 0.000 0.837 34 T N 1.360 115.911 114.554 -0.005 0.000 2.800 34 T HA 0.196 4.546 4.350 -0.000 0.000 0.283 34 T C 0.710 175.519 174.700 0.182 0.000 0.999 34 T CA 0.417 62.563 62.100 0.078 0.000 1.176 34 T CB -0.251 68.614 68.868 -0.004 0.000 0.973 34 T HN 0.234 nan 8.240 nan 0.000 0.519 35 K N 2.909 123.382 120.400 0.122 0.000 2.237 35 K HA 0.241 4.561 4.320 -0.000 0.000 0.270 35 K C 0.220 176.928 176.600 0.181 0.000 1.015 35 K CA -0.754 55.605 56.287 0.121 0.000 0.949 35 K CB 0.130 32.665 32.500 0.058 0.000 0.976 35 K HN 0.732 nan 8.250 nan 0.000 0.472 36 D N 0.641 121.108 120.400 0.112 0.000 2.474 36 D HA 0.291 4.931 4.640 -0.000 0.000 0.232 36 D C 1.459 177.784 176.300 0.041 0.000 1.177 36 D CA 2.154 56.180 54.000 0.044 0.000 0.876 36 D CB 0.385 41.164 40.800 -0.034 0.000 1.208 36 D HN 0.995 nan 8.370 nan 0.000 0.464 37 G N 1.026 109.828 108.800 0.002 0.000 2.187 37 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.261 37 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.261 37 G C 0.556 175.444 174.900 -0.020 0.000 1.000 37 G CA 0.717 45.804 45.100 -0.021 0.000 0.718 37 G HN 0.594 nan 8.290 nan 0.000 0.519 38 T N 1.340 115.903 114.554 0.016 0.000 2.930 38 T HA 0.458 4.807 4.350 -0.000 0.000 0.306 38 T C 1.103 175.708 174.700 -0.158 0.000 1.045 38 T CA 0.527 62.594 62.100 -0.054 0.000 1.134 38 T CB 1.046 69.871 68.868 -0.072 0.000 0.961 38 T HN 1.119 nan 8.240 nan 0.000 0.545 39 S N 2.966 118.579 115.700 -0.144 0.000 2.565 39 S HA 0.169 4.639 4.470 -0.000 0.000 0.276 39 S C 0.847 175.325 174.600 -0.203 0.000 1.326 39 S CA -0.628 57.475 58.200 -0.161 0.000 1.045 39 S CB 0.223 63.383 63.200 -0.068 0.000 0.918 39 S HN 0.573 nan 8.310 nan 0.000 0.505 40 Y N 2.211 122.502 120.300 -0.014 0.000 2.139 40 Y HA -0.194 4.355 4.550 -0.000 0.000 0.282 40 Y C 2.513 178.386 175.900 -0.045 0.000 1.179 40 Y CA 1.890 59.967 58.100 -0.039 0.000 1.161 40 Y CB -0.664 37.791 38.460 -0.008 0.000 0.970 40 Y HN 0.828 nan 8.280 nan 0.000 0.511 41 K N 0.250 120.698 120.400 0.080 0.000 2.059 41 K HA -0.243 4.077 4.320 -0.000 0.000 0.212 41 K C 1.583 178.213 176.600 0.050 0.000 1.050 41 K CA 2.206 58.507 56.287 0.024 0.000 0.927 41 K CB -0.213 32.263 32.500 -0.039 0.000 0.714 41 K HN 0.211 nan 8.250 nan 0.000 0.447 42 D N 0.543 120.935 120.400 -0.013 0.000 2.149 42 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 42 D C 2.031 178.283 176.300 -0.080 0.000 0.972 42 D CA 0.839 54.819 54.000 -0.034 0.000 0.835 42 D CB -0.067 40.699 40.800 -0.057 0.000 0.966 42 D HN 0.245 nan 8.370 nan 0.000 0.476 43 L N 0.080 121.204 121.223 -0.165 0.000 2.042 43 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 43 L C 2.427 179.146 176.870 -0.251 0.000 1.076 43 L CA 0.963 55.589 54.840 -0.357 0.000 0.749 43 L CB -0.457 41.297 42.059 -0.508 0.000 0.893 43 L HN 0.015 nan 8.230 nan 0.000 0.432 44 F N 0.824 120.673 119.950 -0.169 0.000 2.091 44 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 44 F C 2.213 178.000 175.800 -0.022 0.000 1.103 44 F CA 1.681 59.622 58.000 -0.099 0.000 1.228 44 F CB -0.235 38.715 39.000 -0.084 0.000 0.984 44 F HN -0.104 nan 8.300 nan 0.000 0.477 45 L N -0.118 121.100 121.223 -0.009 0.000 2.201 45 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 45 L C 2.497 179.340 176.870 -0.044 0.000 1.105 45 L CA 1.442 56.281 54.840 -0.002 0.000 0.775 45 L CB -0.778 41.346 42.059 0.109 0.000 0.913 45 L HN 0.287 nan 8.230 nan 0.000 0.440 46 E N 0.691 120.845 120.200 -0.076 0.000 2.006 46 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 46 E C 2.373 178.952 176.600 -0.035 0.000 0.993 46 E CA 1.061 57.451 56.400 -0.016 0.000 0.808 46 E CB -0.041 29.666 29.700 0.012 0.000 0.764 46 E HN 0.379 nan 8.360 nan 0.000 0.449 47 L N 0.400 121.542 121.223 -0.136 0.000 2.013 47 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 47 L C 2.584 179.321 176.870 -0.222 0.000 1.073 47 L CA 1.829 56.599 54.840 -0.117 0.000 0.753 47 L CB -0.495 41.462 42.059 -0.170 0.000 0.890 47 L HN 0.355 nan 8.230 nan 0.000 0.432 48 Y N 0.317 120.293 120.300 -0.540 0.000 2.069 48 Y HA -0.302 4.248 4.550 -0.000 0.000 0.278 48 Y C 2.235 177.965 175.900 -0.282 0.000 1.175 48 Y CA 2.083 59.872 58.100 -0.520 0.000 1.134 48 Y CB -0.744 37.249 38.460 -0.779 0.000 0.965 48 Y HN 0.188 nan 8.280 nan 0.000 0.498 49 G N -0.248 108.519 108.800 -0.056 0.000 2.418 49 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 49 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 49 G C 1.635 176.478 174.900 -0.095 0.000 1.158 49 G CA 1.042 46.112 45.100 -0.049 0.000 0.771 49 G HN 0.407 nan 8.290 nan 0.000 0.545 50 K N -0.112 120.252 120.400 -0.060 0.000 2.057 50 K HA 0.077 4.397 4.320 -0.000 0.000 0.206 50 K C 2.416 179.006 176.600 -0.017 0.000 1.050 50 K CA 0.807 57.090 56.287 -0.008 0.000 0.935 50 K CB -0.219 32.306 32.500 0.042 0.000 0.715 50 K HN 0.320 nan 8.250 nan 0.000 0.439 51 I N 1.292 121.747 120.570 -0.192 0.000 2.264 51 I HA -0.284 3.885 4.170 -0.000 0.000 0.248 51 I C 2.054 178.136 176.117 -0.060 0.000 1.111 51 I CA 1.208 62.309 61.300 -0.331 0.000 1.382 51 I CB -0.092 37.621 38.000 -0.479 0.000 1.060 51 I HN 0.036 nan 8.210 nan 0.000 0.418 52 K N 0.045 120.305 120.400 -0.235 0.000 2.314 52 K HA 0.005 4.325 4.320 -0.000 0.000 0.198 52 K C 0.363 176.900 176.600 -0.105 0.000 1.045 52 K CA 0.238 56.381 56.287 -0.239 0.000 0.988 52 K CB -0.548 31.624 32.500 -0.546 0.000 0.783 52 K HN 0.172 nan 8.250 nan 0.000 0.484 53 D N 2.445 122.819 120.400 -0.043 0.000 2.479 53 D HA -0.036 4.604 4.640 -0.000 0.000 0.257 53 D C -1.700 174.619 176.300 0.033 0.000 1.230 53 D CA -1.428 52.569 54.000 -0.004 0.000 0.912 53 D CB 1.137 41.945 40.800 0.013 0.000 1.130 53 D HN -0.093 nan 8.370 nan 0.000 0.515 54 P HA -0.182 nan 4.420 nan 0.000 0.216 54 P C 1.181 178.495 177.300 0.023 0.000 1.150 54 P CA 2.202 65.311 63.100 0.015 0.000 0.843 54 P CB 0.037 31.732 31.700 -0.009 0.000 0.787 55 K N -0.327 120.079 120.400 0.010 0.000 2.360 55 K HA -0.126 4.194 4.320 -0.000 0.000 0.201 55 K C 1.718 178.304 176.600 -0.023 0.000 1.046 55 K CA 1.553 57.838 56.287 -0.003 0.000 0.945 55 K CB -1.662 30.835 32.500 -0.006 0.000 0.750 55 K HN 0.194 nan 8.250 nan 0.000 0.464 56 N N -0.272 118.420 118.700 -0.013 0.000 2.457 56 N HA 0.036 4.775 4.740 -0.000 0.000 0.180 56 N C 1.333 176.740 175.510 -0.171 0.000 1.050 56 N CA 1.031 54.030 53.050 -0.085 0.000 0.906 56 N CB 0.182 38.667 38.487 -0.003 0.000 0.968 56 N HN 0.647 nan 8.380 nan 0.000 0.445 57 G N 0.098 108.874 108.800 -0.041 0.000 2.225 57 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 57 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 57 G C 0.487 175.369 174.900 -0.030 0.000 1.024 57 G CA 0.437 45.529 45.100 -0.014 0.000 0.784 57 G HN 0.385 nan 8.290 nan 0.000 0.507 58 Y N -1.243 119.048 120.300 -0.015 0.000 2.439 58 Y HA 0.355 4.905 4.550 -0.000 0.000 0.292 58 Y C 1.470 177.012 175.900 -0.596 0.000 1.130 58 Y CA 0.938 58.922 58.100 -0.194 0.000 1.254 58 Y CB 0.082 38.437 38.460 -0.174 0.000 1.000 58 Y HN 0.334 nan 8.280 nan 0.000 0.554 59 F N -1.152 118.657 119.950 -0.236 0.000 2.556 59 F HA 0.359 4.886 4.527 -0.000 0.000 0.327 59 F C 0.426 175.851 175.800 -0.625 0.000 1.059 59 F CA -1.814 55.842 58.000 -0.572 0.000 0.953 59 F CB 0.940 39.665 39.000 -0.459 0.000 1.227 59 F HN -0.391 nan 8.300 nan 0.000 0.478 60 S N 2.605 117.876 115.700 -0.715 0.000 2.531 60 S HA 0.202 4.672 4.470 -0.000 0.000 0.279 60 S C -1.755 172.732 174.600 -0.189 0.000 1.305 60 S CA -0.994 56.892 58.200 -0.524 0.000 1.058 60 S CB 1.003 63.843 63.200 -0.600 0.000 0.899 60 S HN 0.448 nan 8.310 nan 0.000 0.493 61 P HA -0.121 nan 4.420 nan 0.000 0.215 61 P C 0.627 177.897 177.300 -0.050 0.000 1.153 61 P CA 1.275 64.356 63.100 -0.033 0.000 0.853 61 P CB -0.002 31.703 31.700 0.007 0.000 0.788 62 D N -0.726 119.632 120.400 -0.070 0.000 2.277 62 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 62 D C 1.634 177.890 176.300 -0.073 0.000 0.962 62 D CA 1.000 54.964 54.000 -0.060 0.000 0.865 62 D CB 0.117 40.876 40.800 -0.069 0.000 0.939 62 D HN 0.447 nan 8.370 nan 0.000 0.510 63 E N -1.890 118.219 120.200 -0.152 0.000 2.679 63 E HA 0.143 4.493 4.350 -0.000 0.000 0.221 63 E C 1.181 177.740 176.600 -0.068 0.000 0.928 63 E CA 0.702 57.028 56.400 -0.124 0.000 1.296 63 E CB 0.095 29.541 29.700 -0.423 0.000 1.235 63 E HN 0.044 nan 8.360 nan 0.000 0.622 64 G N 2.162 110.885 108.800 -0.130 0.000 2.132 64 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.234 64 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.234 64 G C 0.126 174.992 174.900 -0.056 0.000 0.989 64 G CA 0.272 45.321 45.100 -0.085 0.000 0.676 64 G HN 0.293 nan 8.290 nan 0.000 0.522 65 I N 2.658 123.072 120.570 -0.261 0.000 2.416 65 I HA 0.255 4.425 4.170 -0.000 0.000 0.288 65 I C -1.542 174.118 176.117 -0.761 0.000 1.051 65 I CA -2.172 58.874 61.300 -0.424 0.000 1.375 65 I CB 1.137 38.879 38.000 -0.431 0.000 1.407 65 I HN -0.069 nan 8.210 nan 0.000 0.516 66 P HA 0.071 nan 4.420 nan 0.000 0.276 66 P C -1.049 175.615 177.300 -1.061 0.000 1.253 66 P CA -0.006 62.178 63.100 -1.527 0.000 0.766 66 P CB 0.269 30.716 31.700 -2.087 0.000 0.845 67 Y N 1.323 121.186 120.300 -0.729 0.000 2.330 67 Y HA 0.002 4.552 4.550 -0.000 0.000 0.341 67 Y C 2.482 178.223 175.900 -0.265 0.000 1.278 67 Y CA 0.344 58.176 58.100 -0.448 0.000 1.453 67 Y CB -0.250 37.912 38.460 -0.496 0.000 1.342 67 Y HN 0.498 nan 8.280 nan 0.000 0.590 68 H N 0.105 119.191 119.070 0.025 0.000 2.352 68 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 68 H C -0.021 175.351 175.328 0.074 0.000 1.097 68 H CA 1.272 57.358 56.048 0.064 0.000 1.311 68 H CB 0.180 29.962 29.762 0.034 0.000 1.377 68 H HN 0.489 nan 8.280 nan 0.000 0.504 69 S N -2.364 113.338 115.700 0.002 0.000 2.565 69 S HA 0.246 4.715 4.470 -0.000 0.000 0.269 69 S C 0.873 175.484 174.600 0.017 0.000 1.153 69 S CA -0.404 57.767 58.200 -0.049 0.000 0.835 69 S CB 0.455 63.557 63.200 -0.164 0.000 1.122 69 S HN 0.150 nan 8.310 nan 0.000 0.462 70 I N 0.712 121.256 120.570 -0.043 0.000 2.163 70 I HA -0.140 4.029 4.170 -0.000 0.000 0.243 70 I C 0.675 176.782 176.117 -0.016 0.000 1.085 70 I CA 1.393 62.635 61.300 -0.096 0.000 1.347 70 I CB -0.372 37.435 38.000 -0.321 0.000 1.044 70 I HN 0.673 nan 8.210 nan 0.000 0.408 71 E N 0.675 120.860 120.200 -0.025 0.000 2.373 71 E HA -0.003 4.347 4.350 -0.000 0.000 0.267 71 E C 1.212 177.664 176.600 -0.246 0.000 1.032 71 E CA 0.363 56.718 56.400 -0.076 0.000 0.889 71 E CB 0.620 30.371 29.700 0.085 0.000 0.984 71 E HN 0.262 nan 8.360 nan 0.000 0.425 72 T N 0.282 114.600 114.554 -0.393 0.000 2.978 72 T HA -0.008 4.342 4.350 -0.000 0.000 0.262 72 T C 0.782 175.309 174.700 -0.289 0.000 1.063 72 T CA -0.123 61.569 62.100 -0.680 0.000 1.140 72 T CB 0.196 68.637 68.868 -0.711 0.000 0.886 72 T HN 0.174 nan 8.240 nan 0.000 0.470 73 L N 2.104 123.355 121.223 0.046 0.000 2.302 73 L HA 0.682 5.022 4.340 -0.000 0.000 0.285 73 L C -0.814 176.202 176.870 0.243 0.000 1.090 73 L CA -1.520 53.444 54.840 0.206 0.000 0.866 73 L CB -0.610 41.544 42.059 0.158 0.000 1.244 73 L HN 0.444 nan 8.230 nan 0.000 0.435 74 I N 4.260 124.924 120.570 0.156 0.000 2.722 74 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 74 I C -1.669 174.447 176.117 -0.002 0.000 1.267 74 I CA -0.456 60.895 61.300 0.086 0.000 1.036 74 I CB 2.398 40.244 38.000 -0.257 0.000 1.281 74 I HN 0.142 nan 8.210 nan 0.000 0.423 75 V N 7.220 127.111 119.914 -0.038 0.000 2.569 75 V HA 0.659 4.779 4.120 -0.000 0.000 0.301 75 V C -0.534 175.460 176.094 -0.165 0.000 1.044 75 V CA -0.240 61.871 62.300 -0.315 0.000 0.874 75 V CB 1.555 32.766 31.823 -1.021 0.000 1.002 75 V HN 0.915 nan 8.190 nan 0.000 0.424 76 E N 3.774 123.853 120.200 -0.201 0.000 1.894 76 E HA 0.540 4.890 4.350 -0.000 0.000 0.215 76 E C 1.060 177.621 176.600 -0.065 0.000 1.642 76 E CA -0.362 55.975 56.400 -0.105 0.000 1.032 76 E CB 0.814 30.492 29.700 -0.037 0.000 1.625 76 E HN 0.555 nan 8.360 nan 0.000 0.591 77 A N 0.381 123.212 122.820 0.018 0.000 1.899 77 A HA -0.159 4.161 4.320 -0.000 0.000 0.230 77 A C -1.257 176.505 177.584 0.295 0.000 1.593 77 A CA 2.657 54.812 52.037 0.197 0.000 0.728 77 A CB -2.441 16.678 19.000 0.197 0.000 0.848 77 A HN 0.555 nan 8.150 nan 0.000 0.490 78 P HA 0.300 nan 4.420 nan 0.000 0.277 78 P C -1.020 176.239 177.300 -0.069 0.000 1.240 78 P CA 0.179 63.268 63.100 -0.019 0.000 0.798 78 P CB 0.829 32.366 31.700 -0.271 0.000 0.979 79 D N -0.504 119.905 120.400 0.015 0.000 2.440 79 D HA 0.110 4.750 4.640 -0.000 0.000 0.216 79 D C -0.578 175.854 176.300 0.220 0.000 1.150 79 D CA -0.282 53.747 54.000 0.049 0.000 0.832 79 D CB -0.476 40.388 40.800 0.106 0.000 0.992 79 D HN 0.297 nan 8.370 nan 0.000 0.502 80 Y N -0.631 119.637 120.300 -0.054 0.000 2.480 80 Y HA 0.496 5.045 4.550 -0.000 0.000 0.329 80 Y C 0.959 176.756 175.900 -0.172 0.000 1.127 80 Y CA -0.927 57.051 58.100 -0.204 0.000 1.037 80 Y CB 1.871 40.029 38.460 -0.502 0.000 1.320 80 Y HN -0.162 nan 8.280 nan 0.000 0.446 81 G N 2.010 110.304 108.800 -0.844 0.000 2.484 81 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 81 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 81 G C 0.529 175.218 174.900 -0.352 0.000 1.130 81 G CA 0.475 45.302 45.100 -0.456 0.000 0.784 81 G HN 0.819 nan 8.290 nan 0.000 0.543 82 H N -0.343 118.092 119.070 -1.057 0.000 2.488 82 H HA 0.268 4.824 4.556 -0.000 0.000 0.294 82 H C 0.728 176.018 175.328 -0.064 0.000 1.088 82 H CA -0.756 54.873 56.048 -0.698 0.000 1.086 82 H CB 0.643 29.793 29.762 -1.020 0.000 1.569 82 H HN 0.241 nan 8.280 nan 0.000 0.548 83 V N -0.844 119.142 119.914 0.120 0.000 3.264 83 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 83 V C 0.585 176.761 176.094 0.138 0.000 1.086 83 V CA -0.411 61.991 62.300 0.170 0.000 1.090 83 V CB 1.837 33.730 31.823 0.117 0.000 1.112 83 V HN 0.103 nan 8.190 nan 0.000 0.472 84 T N 0.902 115.509 114.554 0.089 0.000 2.942 84 T HA 0.752 5.102 4.350 -0.000 0.000 0.289 84 T C -0.280 174.476 174.700 0.094 0.000 1.044 84 T CA 0.241 62.377 62.100 0.061 0.000 1.023 84 T CB 1.496 70.362 68.868 -0.004 0.000 1.123 84 T HN 1.477 nan 8.240 nan 0.000 0.512 85 T N -0.701 113.952 114.554 0.166 0.000 2.916 85 T HA 0.445 4.794 4.350 -0.000 0.000 0.292 85 T C 1.480 176.392 174.700 0.353 0.000 1.055 85 T CA -0.050 62.178 62.100 0.215 0.000 1.009 85 T CB 1.311 70.349 68.868 0.283 0.000 1.118 85 T HN 0.610 nan 8.240 nan 0.000 0.497 86 S N 0.042 115.925 115.700 0.305 0.000 2.419 86 S HA -0.201 4.269 4.470 -0.000 0.000 0.235 86 S C 1.672 176.438 174.600 0.278 0.000 1.019 86 S CA 1.293 59.659 58.200 0.276 0.000 0.982 86 S CB -0.760 62.534 63.200 0.157 0.000 0.789 86 S HN 0.885 nan 8.310 nan 0.000 0.490 87 E N 2.025 122.390 120.200 0.275 0.000 2.077 87 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 87 E C 2.162 179.026 176.600 0.440 0.000 0.989 87 E CA 1.098 57.658 56.400 0.268 0.000 0.800 87 E CB -0.558 29.305 29.700 0.271 0.000 0.746 87 E HN 0.641 nan 8.360 nan 0.000 0.452 88 A N 0.488 123.561 122.820 0.421 0.000 1.877 88 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 88 A C 1.971 179.766 177.584 0.352 0.000 1.186 88 A CA 1.408 53.680 52.037 0.391 0.000 0.620 88 A CB -1.055 17.971 19.000 0.043 0.000 0.822 88 A HN 0.396 nan 8.150 nan 0.000 0.443 89 F N 1.266 121.359 119.950 0.239 0.000 2.161 89 F HA -0.234 4.292 4.527 -0.000 0.000 0.300 89 F C 3.010 178.968 175.800 0.263 0.000 1.089 89 F CA 1.868 60.013 58.000 0.241 0.000 1.282 89 F CB -0.207 38.840 39.000 0.078 0.000 1.010 89 F HN 0.381 nan 8.300 nan 0.000 0.485 90 S N -1.169 114.748 115.700 0.362 0.000 2.406 90 S HA -0.218 4.251 4.470 -0.000 0.000 0.228 90 S C 1.840 176.589 174.600 0.248 0.000 1.020 90 S CA 0.860 59.172 58.200 0.186 0.000 0.965 90 S CB -1.082 62.108 63.200 -0.017 0.000 0.798 90 S HN 0.383 nan 8.310 nan 0.000 0.488 91 Y N 0.394 120.969 120.300 0.460 0.000 2.293 91 Y HA -0.009 4.540 4.550 -0.000 0.000 0.291 91 Y C 2.541 178.847 175.900 0.676 0.000 1.137 91 Y CA 1.190 59.627 58.100 0.562 0.000 1.202 91 Y CB -0.671 38.079 38.460 0.484 0.000 0.990 91 Y HN 0.361 nan 8.280 nan 0.000 0.537 92 Y N 0.110 120.866 120.300 0.760 0.000 2.114 92 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 92 Y C 2.341 178.590 175.900 0.582 0.000 1.143 92 Y CA 1.193 59.722 58.100 0.716 0.000 1.135 92 Y CB -0.922 37.846 38.460 0.514 0.000 0.980 92 Y HN -0.091 nan 8.280 nan 0.000 0.499 93 V N -0.578 119.611 119.914 0.458 0.000 2.282 93 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 93 V C 2.202 178.638 176.094 0.571 0.000 1.057 93 V CA 2.095 64.634 62.300 0.399 0.000 1.032 93 V CB -1.105 30.967 31.823 0.415 0.000 0.645 93 V HN 0.613 nan 8.190 nan 0.000 0.447 94 W N 0.272 121.787 121.300 0.357 0.000 2.335 94 W HA -0.194 4.465 4.660 -0.000 0.000 0.311 94 W C 2.321 179.098 176.519 0.429 0.000 1.213 94 W CA 1.855 59.410 57.345 0.350 0.000 1.274 94 W CB -0.915 28.679 29.460 0.223 0.000 1.148 94 W HN 0.264 nan 8.180 nan 0.000 0.498 95 L N 1.256 122.853 121.223 0.623 0.000 2.012 95 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 95 L C 2.376 179.625 176.870 0.632 0.000 1.073 95 L CA 2.267 57.433 54.840 0.544 0.000 0.748 95 L CB -1.018 41.345 42.059 0.507 0.000 0.891 95 L HN -0.171 nan 8.230 nan 0.000 0.431 96 E N -0.009 120.562 120.200 0.619 0.000 2.153 96 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 96 E C 2.171 179.089 176.600 0.531 0.000 0.988 96 E CA 1.227 57.965 56.400 0.563 0.000 0.811 96 E CB -0.439 29.523 29.700 0.438 0.000 0.746 96 E HN 0.674 nan 8.360 nan 0.000 0.466 97 A N 1.014 124.204 122.820 0.616 0.000 1.898 97 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 97 A C 2.187 180.150 177.584 0.631 0.000 1.181 97 A CA 1.643 54.141 52.037 0.767 0.000 0.620 97 A CB -0.369 19.150 19.000 0.864 0.000 0.819 97 A HN 0.216 nan 8.150 nan 0.000 0.442 98 M N -1.829 118.022 119.600 0.419 0.000 2.296 98 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 98 M C 1.805 177.865 176.300 -0.399 0.000 1.064 98 M CA 1.440 56.677 55.300 -0.105 0.000 1.109 98 M CB -0.649 31.764 32.600 -0.312 0.000 1.396 98 M HN 0.491 nan 8.290 nan 0.000 0.430 99 Y N 0.108 120.290 120.300 -0.197 0.000 2.114 99 Y HA 0.005 4.555 4.550 -0.000 0.000 0.284 99 Y C 2.170 177.744 175.900 -0.544 0.000 1.143 99 Y CA 2.015 59.932 58.100 -0.304 0.000 1.135 99 Y CB -1.046 37.211 38.460 -0.338 0.000 0.980 99 Y HN 0.260 nan 8.280 nan 0.000 0.499 100 G N 0.110 108.442 108.800 -0.780 0.000 2.440 100 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.218 100 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.218 100 G C 1.641 175.684 174.900 -1.429 0.000 1.154 100 G CA 1.035 44.992 45.100 -1.905 0.000 0.767 100 G HN 0.598 nan 8.290 nan 0.000 0.552 101 N N 0.017 118.297 118.700 -0.701 0.000 2.069 101 N HA -0.070 4.670 4.740 -0.000 0.000 0.191 101 N C 2.059 177.248 175.510 -0.536 0.000 1.031 101 N CA 0.957 53.752 53.050 -0.426 0.000 0.852 101 N CB -0.181 37.719 38.487 -0.979 0.000 1.018 101 N HN 0.348 nan 8.380 nan 0.000 0.423 102 L N -0.812 120.035 121.223 -0.627 0.000 2.567 102 L HA 0.088 4.428 4.340 -0.000 0.000 0.225 102 L C 1.395 178.000 176.870 -0.442 0.000 1.119 102 L CA 0.411 54.945 54.840 -0.509 0.000 0.871 102 L CB 0.406 42.151 42.059 -0.522 0.000 1.036 102 L HN 0.188 nan 8.230 nan 0.000 0.459 103 T N -1.657 112.541 114.554 -0.593 0.000 2.964 103 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 103 T C 1.290 175.695 174.700 -0.492 0.000 0.982 103 T CA 0.685 62.422 62.100 -0.606 0.000 0.959 103 T CB 0.817 69.033 68.868 -1.087 0.000 1.141 103 T HN 0.382 nan 8.240 nan 0.000 0.494 104 G N 2.499 110.967 108.800 -0.553 0.000 2.162 104 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 104 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 104 G C 0.016 174.661 174.900 -0.424 0.000 0.976 104 G CA 0.338 45.227 45.100 -0.352 0.000 0.655 104 G HN 0.609 nan 8.290 nan 0.000 0.533 105 N N -0.731 117.579 118.700 -0.651 0.000 2.425 105 N HA 0.464 5.204 4.740 -0.000 0.000 0.268 105 N C 0.557 175.797 175.510 -0.450 0.000 0.991 105 N CA -0.933 51.886 53.050 -0.385 0.000 0.931 105 N CB 0.503 38.844 38.487 -0.243 0.000 1.130 105 N HN 0.272 nan 8.380 nan 0.000 0.493 106 W N 1.469 122.812 121.300 0.071 0.000 3.008 106 W HA 0.117 4.777 4.660 -0.000 0.000 0.355 106 W C 2.209 178.817 176.519 0.148 0.000 1.095 106 W CA -0.394 57.023 57.345 0.119 0.000 1.738 106 W CB 0.387 29.899 29.460 0.087 0.000 1.091 106 W HN 0.594 nan 8.180 nan 0.000 0.574 107 S N -0.300 115.579 115.700 0.300 0.000 2.419 107 S HA -0.142 4.328 4.470 -0.000 0.000 0.235 107 S C 2.091 176.844 174.600 0.255 0.000 1.019 107 S CA 1.424 59.770 58.200 0.243 0.000 0.982 107 S CB -1.044 62.268 63.200 0.186 0.000 0.789 107 S HN 0.266 nan 8.310 nan 0.000 0.490 108 G N 1.751 110.731 108.800 0.299 0.000 2.476 108 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 108 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 108 G C 1.429 176.489 174.900 0.268 0.000 1.164 108 G CA 1.204 46.485 45.100 0.302 0.000 0.768 108 G HN 0.509 nan 8.290 nan 0.000 0.560 109 V N 0.855 120.979 119.914 0.351 0.000 2.343 109 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 109 V C 2.702 178.967 176.094 0.285 0.000 1.051 109 V CA 2.313 64.823 62.300 0.349 0.000 1.036 109 V CB -0.567 31.524 31.823 0.446 0.000 0.654 109 V HN 0.504 nan 8.190 nan 0.000 0.451 110 E N -0.144 120.206 120.200 0.249 0.000 2.072 110 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 110 E C 2.304 179.035 176.600 0.219 0.000 0.985 110 E CA 1.738 58.266 56.400 0.212 0.000 0.801 110 E CB -0.330 29.468 29.700 0.164 0.000 0.750 110 E HN 0.570 nan 8.360 nan 0.000 0.452 111 T N 1.150 115.818 114.554 0.190 0.000 2.708 111 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 111 T C 2.050 176.847 174.700 0.162 0.000 1.037 111 T CA 1.264 63.470 62.100 0.176 0.000 1.146 111 T CB -0.267 68.702 68.868 0.168 0.000 0.865 111 T HN 0.256 nan 8.240 nan 0.000 0.435 112 A N 1.297 124.119 122.820 0.003 0.000 1.865 112 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 112 A C 2.199 179.849 177.584 0.110 0.000 1.191 112 A CA 1.459 53.322 52.037 -0.290 0.000 0.623 112 A CB -1.130 17.450 19.000 -0.700 0.000 0.826 112 A HN 0.694 nan 8.150 nan 0.000 0.444 113 W N 0.736 122.073 121.300 0.063 0.000 2.363 113 W HA -0.128 4.532 4.660 -0.000 0.000 0.296 113 W C 2.189 178.774 176.519 0.110 0.000 1.212 113 W CA 2.017 59.425 57.345 0.105 0.000 1.260 113 W CB -0.185 29.334 29.460 0.099 0.000 1.131 113 W HN 0.450 nan 8.180 nan 0.000 0.530 114 K N 0.201 120.793 120.400 0.321 0.000 2.097 114 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 114 K C 1.769 178.478 176.600 0.182 0.000 1.049 114 K CA 1.536 57.958 56.287 0.224 0.000 0.933 114 K CB -0.232 32.383 32.500 0.191 0.000 0.717 114 K HN -0.050 nan 8.250 nan 0.000 0.442 115 V N 1.875 121.957 119.914 0.280 0.000 2.307 115 V HA -0.291 3.829 4.120 -0.000 0.000 0.245 115 V C 2.457 178.763 176.094 0.353 0.000 1.045 115 V CA 2.018 64.593 62.300 0.457 0.000 1.024 115 V CB -0.473 31.729 31.823 0.631 0.000 0.651 115 V HN 0.480 nan 8.190 nan 0.000 0.449 116 M N -0.036 119.626 119.600 0.103 0.000 2.088 116 M HA -0.291 4.189 4.480 -0.000 0.000 0.256 116 M C 2.249 178.291 176.300 -0.430 0.000 1.071 116 M CA 2.258 57.236 55.300 -0.536 0.000 1.097 116 M CB -0.342 31.854 32.600 -0.674 0.000 1.315 116 M HN 0.364 nan 8.290 nan 0.000 0.406 117 E N -0.058 119.992 120.200 -0.249 0.000 2.110 117 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 117 E C 1.545 178.028 176.600 -0.194 0.000 0.988 117 E CA 1.426 57.733 56.400 -0.155 0.000 0.804 117 E CB -0.163 29.569 29.700 0.054 0.000 0.745 117 E HN 0.629 nan 8.360 nan 0.000 0.458 118 D N -1.212 119.043 120.400 -0.241 0.000 2.269 118 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 118 D C 1.211 176.994 176.300 -0.861 0.000 0.963 118 D CA 0.864 54.520 54.000 -0.572 0.000 0.864 118 D CB 0.001 40.389 40.800 -0.687 0.000 0.936 118 D HN 0.301 nan 8.370 nan 0.000 0.505 119 W N -0.468 120.772 121.300 -0.100 0.000 3.875 119 W HA 0.376 5.035 4.660 -0.000 0.000 0.221 119 W C 1.957 178.392 176.519 -0.140 0.000 0.947 119 W CA -0.395 56.883 57.345 -0.113 0.000 2.039 119 W CB -0.045 29.407 29.460 -0.012 0.000 0.954 119 W HN -0.289 nan 8.180 nan 0.000 0.792 120 I N 0.650 121.169 120.570 -0.084 0.000 3.427 120 I HA 0.152 4.322 4.170 -0.000 0.000 0.288 120 I C 0.053 176.134 176.117 -0.060 0.000 1.249 120 I CA 0.472 61.739 61.300 -0.055 0.000 1.421 120 I CB 0.334 38.082 38.000 -0.421 0.000 1.086 120 I HN -0.250 nan 8.210 nan 0.000 0.448 121 I N 3.118 123.556 120.570 -0.220 0.000 2.297 121 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 121 I C -2.219 173.762 176.117 -0.227 0.000 1.033 121 I CA -1.975 59.146 61.300 -0.298 0.000 1.253 121 I CB 0.656 38.360 38.000 -0.493 0.000 1.396 121 I HN -0.133 nan 8.210 nan 0.000 0.476 122 P HA -0.000 nan 4.420 nan 0.000 0.264 122 P C -1.023 176.142 177.300 -0.225 0.000 1.193 122 P CA -0.075 62.775 63.100 -0.417 0.000 0.763 122 P CB 0.351 31.499 31.700 -0.920 0.000 0.810 123 D N 0.399 120.704 120.400 -0.157 0.000 2.539 123 D HA 0.141 4.780 4.640 -0.000 0.000 0.276 123 D C 0.914 177.144 176.300 -0.117 0.000 1.206 123 D CA -0.568 53.367 54.000 -0.109 0.000 1.081 123 D CB -0.300 40.445 40.800 -0.092 0.000 1.142 123 D HN 0.135 nan 8.370 nan 0.000 0.595 124 S N -0.869 114.782 115.700 -0.082 0.000 2.365 124 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 124 S C 1.954 176.482 174.600 -0.120 0.000 1.039 124 S CA 1.870 60.023 58.200 -0.079 0.000 1.033 124 S CB -1.177 61.996 63.200 -0.044 0.000 0.887 124 S HN 0.678 nan 8.310 nan 0.000 0.447 125 T N 2.129 116.618 114.554 -0.107 0.000 2.760 125 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 125 T C 1.427 176.019 174.700 -0.180 0.000 1.047 125 T CA 1.592 63.623 62.100 -0.115 0.000 1.139 125 T CB -0.355 68.463 68.868 -0.083 0.000 0.855 125 T HN 0.585 nan 8.240 nan 0.000 0.471 126 E N 0.249 120.321 120.200 -0.214 0.000 2.474 126 E HA 0.099 4.449 4.350 -0.000 0.000 0.195 126 E C 0.708 176.934 176.600 -0.624 0.000 1.039 126 E CA 0.099 56.337 56.400 -0.268 0.000 0.881 126 E CB 0.333 29.959 29.700 -0.123 0.000 0.970 126 E HN 0.484 nan 8.360 nan 0.000 0.486 127 Q N 1.367 120.750 119.800 -0.695 0.000 2.470 127 Q HA 0.170 4.510 4.340 -0.000 0.000 0.389 127 Q C -2.489 173.116 176.000 -0.659 0.000 0.888 127 Q CA -1.602 53.515 55.803 -1.143 0.000 1.106 127 Q CB 0.997 29.482 28.738 -0.421 0.000 1.368 127 Q HN 0.077 nan 8.270 nan 0.000 0.403 128 P HA 0.010 nan 4.420 nan 0.000 0.267 128 P C 0.800 178.194 177.300 0.157 0.000 1.205 128 P CA 1.101 64.126 63.100 -0.125 0.000 0.765 128 P CB 1.188 32.822 31.700 -0.111 0.000 0.828 129 G N 3.366 112.248 108.800 0.137 0.000 2.194 129 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 129 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 129 G C 1.056 176.096 174.900 0.235 0.000 0.987 129 G CA 0.128 45.329 45.100 0.169 0.000 0.635 129 G HN 0.357 nan 8.290 nan 0.000 0.520 130 M N 1.972 121.747 119.600 0.291 0.000 2.260 130 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 130 M C 2.717 179.185 176.300 0.282 0.000 1.066 130 M CA 2.294 57.783 55.300 0.316 0.000 1.082 130 M CB -1.149 31.630 32.600 0.297 0.000 1.388 130 M HN 0.848 nan 8.290 nan 0.000 0.419 131 S N -1.639 114.191 115.700 0.217 0.000 2.515 131 S HA -0.001 4.468 4.470 -0.000 0.000 0.231 131 S C 1.750 176.469 174.600 0.198 0.000 0.987 131 S CA 1.014 59.335 58.200 0.202 0.000 0.936 131 S CB -0.282 63.004 63.200 0.142 0.000 0.766 131 S HN 0.370 nan 8.310 nan 0.000 0.528 132 S N 0.343 116.166 115.700 0.205 0.000 2.558 132 S HA 0.215 4.685 4.470 -0.000 0.000 0.217 132 S C 0.217 174.938 174.600 0.202 0.000 0.975 132 S CA -0.523 57.789 58.200 0.188 0.000 0.912 132 S CB -0.484 62.837 63.200 0.201 0.000 0.776 132 S HN 0.708 nan 8.310 nan 0.000 0.526 133 Y N 3.828 124.187 120.300 0.098 0.000 2.904 133 Y HA 0.049 4.599 4.550 -0.000 0.000 0.336 133 Y C 0.224 176.100 175.900 -0.039 0.000 1.263 133 Y CA -0.172 57.938 58.100 0.016 0.000 1.547 133 Y CB 0.158 38.549 38.460 -0.114 0.000 1.272 133 Y HN 0.007 nan 8.280 nan 0.000 0.596 134 N N 7.926 126.199 118.700 -0.711 0.000 2.518 134 N HA 0.336 5.076 4.740 -0.000 0.000 0.254 134 N C -2.399 172.571 175.510 -0.899 0.000 0.979 134 N CA -2.590 50.118 53.050 -0.570 0.000 0.930 134 N CB 1.667 39.999 38.487 -0.258 0.000 1.152 134 N HN 0.287 nan 8.380 nan 0.000 0.505 135 P HA -0.030 nan 4.420 nan 0.000 0.221 135 P C 0.399 177.458 177.300 -0.402 0.000 1.145 135 P CA 0.964 63.738 63.100 -0.543 0.000 0.795 135 P CB 0.399 31.952 31.700 -0.245 0.000 0.775 136 N N -1.526 116.998 118.700 -0.294 0.000 2.461 136 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 136 N C 0.291 175.699 175.510 -0.169 0.000 1.134 136 N CA 0.708 53.636 53.050 -0.204 0.000 0.878 136 N CB -0.040 38.366 38.487 -0.136 0.000 0.972 136 N HN -0.028 nan 8.380 nan 0.000 0.456 137 S N 0.170 115.746 115.700 -0.208 0.000 2.486 137 S HA 0.330 4.800 4.470 -0.000 0.000 0.144 137 S C -2.161 172.392 174.600 -0.079 0.000 1.542 137 S CA -1.032 57.107 58.200 -0.102 0.000 1.262 137 S CB 0.565 63.733 63.200 -0.053 0.000 1.462 137 S HN -0.116 nan 8.310 nan 0.000 0.381 138 P HA 0.222 nan 4.420 nan 0.000 0.219 138 P C 0.391 177.947 177.300 0.427 0.000 1.150 138 P CA 0.864 64.040 63.100 0.127 0.000 0.814 138 P CB 0.272 32.128 31.700 0.260 0.000 0.787 139 A N -2.891 120.157 122.820 0.380 0.000 2.493 139 A HA 0.619 4.939 4.320 -0.000 0.000 0.300 139 A C -1.279 176.416 177.584 0.185 0.000 1.152 139 A CA -0.388 51.883 52.037 0.390 0.000 0.643 139 A CB 0.396 19.735 19.000 0.565 0.000 1.316 139 A HN -0.185 nan 8.150 nan 0.000 0.469 140 T N 0.878 115.439 114.554 0.011 0.000 2.792 140 T HA 0.503 4.853 4.350 -0.000 0.000 0.280 140 T C -0.714 173.764 174.700 -0.370 0.000 0.990 140 T CA 0.014 61.966 62.100 -0.245 0.000 0.960 140 T CB 0.607 69.133 68.868 -0.569 0.000 0.939 140 T HN 0.595 nan 8.240 nan 0.000 0.439 141 Y N 3.011 122.935 120.300 -0.626 0.000 2.702 141 Y HA 0.363 4.913 4.550 -0.000 0.000 0.336 141 Y C 0.012 175.592 175.900 -0.534 0.000 1.235 141 Y CA -0.103 57.423 58.100 -0.956 0.000 1.492 141 Y CB 0.184 38.236 38.460 -0.679 0.000 1.308 141 Y HN 0.761 nan 8.280 nan 0.000 0.589 142 A N 5.302 127.273 122.820 -1.414 0.000 2.515 142 A HA 0.421 4.741 4.320 -0.000 0.000 0.298 142 A C -1.279 175.613 177.584 -1.154 0.000 1.059 142 A CA -1.031 50.442 52.037 -0.940 0.000 0.698 142 A CB 0.953 19.728 19.000 -0.375 0.000 1.289 142 A HN 0.707 nan 8.150 nan 0.000 0.404 143 D N 1.389 121.371 120.400 -0.696 0.000 2.382 143 D HA 0.305 4.945 4.640 -0.000 0.000 0.240 143 D C 0.115 176.016 176.300 -0.665 0.000 1.146 143 D CA 0.520 54.158 54.000 -0.603 0.000 0.897 143 D CB 0.837 41.169 40.800 -0.780 0.000 1.197 143 D HN 0.559 nan 8.370 nan 0.000 0.432 144 E N 0.247 120.113 120.200 -0.557 0.000 2.250 144 E HA 0.461 4.811 4.350 -0.000 0.000 0.269 144 E C -0.779 175.388 176.600 -0.722 0.000 1.018 144 E CA -0.597 55.576 56.400 -0.378 0.000 0.873 144 E CB 1.267 30.904 29.700 -0.105 0.000 1.134 144 E HN 0.356 nan 8.360 nan 0.000 0.403 145 Y N -0.264 119.973 120.300 -0.104 0.000 2.581 145 Y HA 0.140 4.690 4.550 -0.000 0.000 0.345 145 Y C 0.590 176.418 175.900 -0.119 0.000 1.036 145 Y CA -0.805 57.088 58.100 -0.345 0.000 1.042 145 Y CB 1.576 39.584 38.460 -0.753 0.000 1.289 145 Y HN 0.457 nan 8.280 nan 0.000 0.471 146 E N 0.371 120.555 120.200 -0.026 0.000 2.418 146 E HA -0.039 4.310 4.350 -0.000 0.000 0.197 146 E C -0.791 175.930 176.600 0.201 0.000 1.026 146 E CA 0.851 57.296 56.400 0.075 0.000 0.862 146 E CB 0.223 29.975 29.700 0.087 0.000 0.799 146 E HN 0.466 nan 8.360 nan 0.000 0.518 147 D N -2.631 117.981 120.400 0.353 0.000 2.927 147 D HA 0.151 4.791 4.640 -0.000 0.000 0.219 147 D C -2.314 174.198 176.300 0.353 0.000 1.248 147 D CA -1.840 52.346 54.000 0.311 0.000 0.861 147 D CB 1.569 42.518 40.800 0.249 0.000 1.677 147 D HN -0.340 nan 8.370 nan 0.000 0.511 148 P HA -0.157 nan 4.420 nan 0.000 0.218 148 P C 1.158 178.405 177.300 -0.088 0.000 1.146 148 P CA 1.124 64.325 63.100 0.169 0.000 0.813 148 P CB 0.066 31.830 31.700 0.107 0.000 0.778 149 S N -2.478 112.926 115.700 -0.493 0.000 2.465 149 S HA -0.210 4.260 4.470 -0.000 0.000 0.241 149 S C 1.719 175.966 174.600 -0.589 0.000 1.000 149 S CA 0.942 58.417 58.200 -1.209 0.000 0.964 149 S CB -1.591 61.161 63.200 -0.746 0.000 0.763 149 S HN 0.185 nan 8.310 nan 0.000 0.512 150 Y N 0.279 120.407 120.300 -0.287 0.000 2.519 150 Y HA 0.269 4.819 4.550 -0.000 0.000 0.287 150 Y C 0.591 176.278 175.900 -0.356 0.000 1.128 150 Y CA -0.067 57.783 58.100 -0.416 0.000 1.282 150 Y CB -0.103 37.928 38.460 -0.714 0.000 1.027 150 Y HN 0.243 nan 8.280 nan 0.000 0.551 151 Y N 1.778 122.109 120.300 0.053 0.000 2.301 151 Y HA 0.222 4.772 4.550 -0.000 0.000 0.328 151 Y C -1.797 174.174 175.900 0.118 0.000 1.242 151 Y CA -3.187 54.999 58.100 0.142 0.000 1.323 151 Y CB -0.095 38.493 38.460 0.215 0.000 1.266 151 Y HN -0.120 nan 8.280 nan 0.000 0.527 152 P HA 0.044 nan 4.420 nan 0.000 0.274 152 P C -0.732 176.653 177.300 0.141 0.000 1.237 152 P CA -0.444 62.810 63.100 0.256 0.000 0.793 152 P CB 1.342 33.144 31.700 0.171 0.000 0.977 153 S N 0.308 116.109 115.700 0.168 0.000 2.457 153 S HA 0.143 4.613 4.470 -0.000 0.000 0.289 153 S C -0.106 174.549 174.600 0.091 0.000 1.163 153 S CA -0.588 57.682 58.200 0.117 0.000 1.078 153 S CB -0.089 63.145 63.200 0.057 0.000 0.987 153 S HN 0.449 nan 8.310 nan 0.000 0.482 154 E N 4.755 125.004 120.200 0.082 0.000 2.290 154 E HA 0.187 4.537 4.350 -0.000 0.000 0.277 154 E C -0.465 176.110 176.600 -0.042 0.000 1.035 154 E CA -0.364 56.065 56.400 0.048 0.000 0.873 154 E CB 0.442 30.183 29.700 0.069 0.000 1.029 154 E HN 0.638 nan 8.360 nan 0.000 0.419 155 L N 5.147 126.314 121.223 -0.093 0.000 2.499 155 L HA 0.058 4.398 4.340 -0.000 0.000 0.273 155 L C 0.329 177.040 176.870 -0.265 0.000 1.195 155 L CA 0.602 55.266 54.840 -0.293 0.000 0.882 155 L CB 0.297 42.084 42.059 -0.453 0.000 1.133 155 L HN 0.500 nan 8.230 nan 0.000 0.483 156 K N 4.407 124.636 120.400 -0.285 0.000 2.419 156 K HA 0.215 4.534 4.320 -0.000 0.000 0.244 156 K C 0.186 176.687 176.600 -0.166 0.000 1.045 156 K CA -0.271 55.956 56.287 -0.100 0.000 1.004 156 K CB 0.841 33.376 32.500 0.058 0.000 1.376 156 K HN 0.380 nan 8.250 nan 0.000 0.460 157 F N 0.841 120.774 119.950 -0.027 0.000 2.163 157 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 157 F C 1.550 177.328 175.800 -0.037 0.000 1.094 157 F CA 1.266 59.241 58.000 -0.042 0.000 1.290 157 F CB 0.405 39.370 39.000 -0.059 0.000 1.017 157 F HN 0.466 nan 8.300 nan 0.000 0.483 158 D N -2.340 118.150 120.400 0.151 0.000 2.449 158 D HA 0.011 4.651 4.640 -0.000 0.000 0.210 158 D C 1.826 178.140 176.300 0.023 0.000 1.094 158 D CA 0.723 54.769 54.000 0.076 0.000 0.846 158 D CB 0.286 41.124 40.800 0.063 0.000 1.003 158 D HN 0.148 nan 8.370 nan 0.000 0.504 159 T N -0.016 114.545 114.554 0.012 0.000 3.054 159 T HA 0.183 4.533 4.350 -0.000 0.000 0.255 159 T C 0.037 174.698 174.700 -0.066 0.000 1.035 159 T CA 0.130 62.219 62.100 -0.019 0.000 0.941 159 T CB 0.315 69.180 68.868 -0.005 0.000 1.026 159 T HN -0.233 nan 8.240 nan 0.000 0.533 160 V N 2.341 122.207 119.914 -0.081 0.000 2.447 160 V HA 0.506 4.626 4.120 -0.000 0.000 0.292 160 V C -0.186 175.836 176.094 -0.121 0.000 1.021 160 V CA -1.178 61.025 62.300 -0.162 0.000 0.850 160 V CB 1.359 33.019 31.823 -0.272 0.000 1.005 160 V HN 0.248 nan 8.190 nan 0.000 0.426 161 R N 3.287 123.718 120.500 -0.115 0.000 2.340 161 R HA 0.650 4.990 4.340 -0.000 0.000 0.300 161 R C -0.876 175.375 176.300 -0.081 0.000 1.069 161 R CA -0.209 55.845 56.100 -0.076 0.000 0.984 161 R CB 1.423 31.686 30.300 -0.061 0.000 1.003 161 R HN 0.529 nan 8.270 nan 0.000 0.459 162 V N 3.792 123.693 119.914 -0.021 0.000 2.612 162 V HA 0.419 4.539 4.120 -0.000 0.000 0.301 162 V C 1.027 177.169 176.094 0.080 0.000 1.046 162 V CA -0.210 62.127 62.300 0.062 0.000 0.946 162 V CB 1.733 33.637 31.823 0.135 0.000 1.003 162 V HN 1.037 nan 8.190 nan 0.000 0.459 163 G N 2.707 111.602 108.800 0.157 0.000 2.570 163 G HA2 0.372 4.332 3.960 -0.000 0.000 0.276 163 G HA3 0.372 4.332 3.960 -0.000 0.000 0.276 163 G C -0.127 174.766 174.900 -0.011 0.000 1.346 163 G CA -0.286 44.880 45.100 0.110 0.000 1.034 163 G HN 0.699 nan 8.290 nan 0.000 0.512 164 S N -0.637 114.975 115.700 -0.146 0.000 2.593 164 S HA 0.382 4.852 4.470 -0.000 0.000 0.297 164 S C -0.803 173.337 174.600 -0.766 0.000 1.112 164 S CA -0.519 57.457 58.200 -0.374 0.000 1.043 164 S CB 1.824 64.883 63.200 -0.235 0.000 1.054 164 S HN 0.618 nan 8.310 nan 0.000 0.516 165 D N 2.191 122.023 120.400 -0.946 0.000 2.396 165 D HA 0.319 4.959 4.640 -0.000 0.000 0.225 165 D C -1.705 174.240 176.300 -0.591 0.000 1.121 165 D CA -2.130 51.181 54.000 -1.149 0.000 0.853 165 D CB 1.243 41.489 40.800 -0.924 0.000 1.043 165 D HN 0.142 nan 8.370 nan 0.000 0.500 166 P HA 0.058 nan 4.420 nan 0.000 0.261 166 P C 0.784 177.898 177.300 -0.311 0.000 1.268 166 P CA -0.010 62.832 63.100 -0.431 0.000 0.833 166 P CB 0.959 32.300 31.700 -0.598 0.000 1.231 167 V N -1.388 118.328 119.914 -0.329 0.000 3.570 167 V HA 0.006 4.125 4.120 -0.000 0.000 0.257 167 V C 2.349 178.400 176.094 -0.071 0.000 1.272 167 V CA 0.542 62.754 62.300 -0.147 0.000 1.079 167 V CB -0.640 31.093 31.823 -0.151 0.000 0.829 167 V HN 0.101 nan 8.190 nan 0.000 0.454 168 H N 1.211 120.201 119.070 -0.134 0.000 2.321 168 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 168 H C 2.202 177.522 175.328 -0.013 0.000 1.087 168 H CA 2.332 58.353 56.048 -0.045 0.000 1.319 168 H CB 0.253 30.069 29.762 0.090 0.000 1.379 168 H HN 0.325 nan 8.280 nan 0.000 0.501 169 N N 0.278 119.033 118.700 0.091 0.000 2.188 169 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 169 N C 1.545 177.025 175.510 -0.050 0.000 1.018 169 N CA 1.272 54.342 53.050 0.033 0.000 0.858 169 N CB -0.498 38.023 38.487 0.057 0.000 0.989 169 N HN 0.491 nan 8.380 nan 0.000 0.426 170 D N 0.721 121.091 120.400 -0.051 0.000 2.133 170 D HA -0.100 4.539 4.640 -0.000 0.000 0.195 170 D C 1.988 178.206 176.300 -0.137 0.000 0.997 170 D CA 0.860 54.819 54.000 -0.069 0.000 0.840 170 D CB -0.069 40.718 40.800 -0.023 0.000 0.947 170 D HN 0.187 nan 8.370 nan 0.000 0.452 171 L N -0.687 120.427 121.223 -0.181 0.000 2.044 171 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 171 L C 2.663 179.445 176.870 -0.145 0.000 1.075 171 L CA 0.468 55.173 54.840 -0.225 0.000 0.747 171 L CB -0.478 41.311 42.059 -0.450 0.000 0.903 171 L HN -0.036 nan 8.230 nan 0.000 0.435 172 V N -0.080 119.722 119.914 -0.187 0.000 2.380 172 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 172 V C 2.772 178.823 176.094 -0.073 0.000 1.063 172 V CA 2.172 64.417 62.300 -0.091 0.000 1.055 172 V CB -0.603 31.176 31.823 -0.075 0.000 0.657 172 V HN 0.661 nan 8.190 nan 0.000 0.455 173 S N 0.225 115.859 115.700 -0.111 0.000 2.428 173 S HA -0.015 4.455 4.470 -0.000 0.000 0.230 173 S C 1.952 176.436 174.600 -0.193 0.000 1.014 173 S CA 1.186 59.319 58.200 -0.111 0.000 0.957 173 S CB -0.110 63.038 63.200 -0.086 0.000 0.784 173 S HN 0.550 nan 8.310 nan 0.000 0.499 174 A N 0.007 122.621 122.820 -0.344 0.000 1.935 174 A HA 0.276 4.595 4.320 -0.000 0.000 0.214 174 A C 1.460 178.656 177.584 -0.647 0.000 1.178 174 A CA 0.836 52.487 52.037 -0.644 0.000 0.640 174 A CB -0.464 17.884 19.000 -1.086 0.000 0.825 174 A HN 0.686 nan 8.150 nan 0.000 0.447 175 Y N -1.522 118.763 120.300 -0.024 0.000 2.471 175 Y HA 0.452 5.002 4.550 -0.000 0.000 0.249 175 Y C 1.308 177.234 175.900 0.042 0.000 1.116 175 Y CA -0.248 57.873 58.100 0.035 0.000 1.240 175 Y CB 0.113 38.676 38.460 0.171 0.000 1.251 175 Y HN 0.534 nan 8.280 nan 0.000 0.527 176 G N 1.481 110.360 108.800 0.131 0.000 2.660 176 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.247 176 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.247 176 G C -2.036 172.937 174.900 0.121 0.000 1.328 176 G CA -0.399 44.763 45.100 0.102 0.000 0.884 176 G HN -0.012 nan 8.290 nan 0.000 0.531 177 P HA 0.037 nan 4.420 nan 0.000 0.229 177 P C 0.465 177.844 177.300 0.132 0.000 1.160 177 P CA 0.848 64.027 63.100 0.131 0.000 0.777 177 P CB 0.013 31.794 31.700 0.136 0.000 0.814 178 N N -0.043 118.716 118.700 0.098 0.000 2.482 178 N HA 0.287 5.027 4.740 -0.000 0.000 0.279 178 N C -0.043 175.402 175.510 -0.108 0.000 1.182 178 N CA -0.631 52.438 53.050 0.032 0.000 0.969 178 N CB 0.485 38.972 38.487 -0.000 0.000 1.201 178 N HN -0.103 nan 8.380 nan 0.000 0.523 179 M N 1.057 120.492 119.600 -0.274 0.000 2.235 179 M HA 0.146 4.626 4.480 -0.000 0.000 0.351 179 M C -1.130 174.668 176.300 -0.837 0.000 1.178 179 M CA -0.140 54.715 55.300 -0.741 0.000 1.143 179 M CB 0.279 32.202 32.600 -1.129 0.000 1.530 179 M HN 0.442 nan 8.290 nan 0.000 0.461 180 Y N 5.952 125.228 120.300 -1.708 0.000 2.919 180 Y HA 0.642 5.191 4.550 -0.000 0.000 0.341 180 Y C -1.754 173.793 175.900 -0.588 0.000 1.045 180 Y CA -0.434 57.074 58.100 -0.986 0.000 1.218 180 Y CB 0.313 38.224 38.460 -0.914 0.000 1.137 180 Y HN 0.601 nan 8.280 nan 0.000 0.577 181 L N 3.632 124.541 121.223 -0.523 0.000 2.469 181 L HA 0.522 4.862 4.340 -0.000 0.000 0.256 181 L C -0.818 175.950 176.870 -0.169 0.000 1.006 181 L CA -1.219 53.464 54.840 -0.262 0.000 0.832 181 L CB 2.671 44.632 42.059 -0.162 0.000 1.421 181 L HN 0.301 nan 8.230 nan 0.000 0.410 182 M N 1.153 120.698 119.600 -0.091 0.000 2.108 182 M HA 0.254 4.733 4.480 -0.000 0.000 0.354 182 M C -0.386 175.986 176.300 0.120 0.000 1.229 182 M CA -0.560 54.699 55.300 -0.068 0.000 1.081 182 M CB 0.773 33.305 32.600 -0.114 0.000 1.606 182 M HN 0.414 nan 8.290 nan 0.000 0.467 183 H N 4.112 123.182 119.070 -0.001 0.000 2.897 183 H HA -0.086 4.470 4.556 -0.000 0.000 0.347 183 H C 0.558 176.003 175.328 0.195 0.000 1.068 183 H CA 0.636 56.721 56.048 0.062 0.000 1.426 183 H CB 0.614 30.248 29.762 -0.213 0.000 1.410 183 H HN 0.738 nan 8.280 nan 0.000 0.597 184 W N 5.232 126.181 121.300 -0.585 0.000 2.658 184 W HA 0.133 4.792 4.660 -0.000 0.000 0.263 184 W C -1.144 175.301 176.519 -0.124 0.000 1.274 184 W CA -0.203 57.004 57.345 -0.231 0.000 1.343 184 W CB -0.068 29.317 29.460 -0.125 0.000 1.106 184 W HN 0.372 nan 8.180 nan 0.000 0.615 185 L N 1.751 122.351 121.223 -1.038 0.000 2.438 185 L HA 0.559 4.899 4.340 -0.000 0.000 0.270 185 L C -1.045 175.731 176.870 -0.158 0.000 0.972 185 L CA -1.052 53.282 54.840 -0.843 0.000 0.831 185 L CB 2.065 43.133 42.059 -1.653 0.000 1.273 185 L HN -0.014 nan 8.230 nan 0.000 0.405 186 M N 3.530 123.117 119.600 -0.021 0.000 2.327 186 M HA 0.358 4.838 4.480 -0.000 0.000 0.298 186 M C -1.329 175.017 176.300 0.076 0.000 1.065 186 M CA -0.632 54.719 55.300 0.085 0.000 0.916 186 M CB 1.810 34.468 32.600 0.096 0.000 1.630 186 M HN 0.626 nan 8.290 nan 0.000 0.442 187 D N 4.163 124.628 120.400 0.107 0.000 2.455 187 D HA 0.138 4.778 4.640 -0.000 0.000 0.234 187 D C 0.999 177.367 176.300 0.112 0.000 1.224 187 D CA 0.004 54.106 54.000 0.171 0.000 0.999 187 D CB 0.522 41.466 40.800 0.240 0.000 1.072 187 D HN 0.462 nan 8.370 nan 0.000 0.514 188 V N 2.714 122.696 119.914 0.112 0.000 2.282 188 V HA -0.215 3.904 4.120 -0.000 0.000 0.249 188 V C 1.262 177.375 176.094 0.031 0.000 1.057 188 V CA 1.706 64.024 62.300 0.030 0.000 1.032 188 V CB -0.150 31.713 31.823 0.067 0.000 0.645 188 V HN 0.514 nan 8.190 nan 0.000 0.447 189 D N -0.777 119.701 120.400 0.130 0.000 2.501 189 D HA 0.143 4.783 4.640 -0.000 0.000 0.226 189 D C 0.503 176.858 176.300 0.091 0.000 1.198 189 D CA -0.077 53.986 54.000 0.105 0.000 0.830 189 D CB -0.125 40.766 40.800 0.151 0.000 1.014 189 D HN 0.409 nan 8.370 nan 0.000 0.496 190 N N 0.130 118.881 118.700 0.085 0.000 2.740 190 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 190 N C 0.584 176.084 175.510 -0.017 0.000 1.062 190 N CA 0.208 53.285 53.050 0.044 0.000 0.704 190 N CB -1.399 37.099 38.487 0.017 0.000 0.968 190 N HN 0.414 nan 8.380 nan 0.000 0.547 191 W N 0.069 121.236 121.300 -0.221 0.000 2.321 191 W HA -0.166 4.493 4.660 -0.000 0.000 0.306 191 W C 1.528 177.684 176.519 -0.606 0.000 1.217 191 W CA 1.794 58.852 57.345 -0.478 0.000 1.257 191 W CB -0.690 28.267 29.460 -0.838 0.000 1.145 191 W HN 0.445 nan 8.180 nan 0.000 0.509 192 Y N -0.019 120.004 120.300 -0.462 0.000 2.509 192 Y HA 0.119 4.669 4.550 -0.000 0.000 0.293 192 Y C 2.404 177.724 175.900 -0.966 0.000 1.133 192 Y CA 1.590 59.202 58.100 -0.812 0.000 1.283 192 Y CB -0.615 37.452 38.460 -0.655 0.000 1.001 192 Y HN 0.157 nan 8.280 nan 0.000 0.555 193 G N -1.448 107.046 108.800 -0.510 0.000 2.179 193 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.260 193 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.260 193 G C 0.858 175.500 174.900 -0.431 0.000 0.977 193 G CA 0.426 45.247 45.100 -0.464 0.000 0.641 193 G HN 0.330 nan 8.290 nan 0.000 0.533 194 F N 1.440 121.291 119.950 -0.166 0.000 2.171 194 F HA 0.229 4.756 4.527 -0.000 0.000 0.300 194 F C 2.378 178.259 175.800 0.135 0.000 1.090 194 F CA 0.954 58.927 58.000 -0.044 0.000 1.293 194 F CB -0.773 38.234 39.000 0.013 0.000 1.013 194 F HN 0.376 nan 8.300 nan 0.000 0.486 195 G N -1.088 107.856 108.800 0.241 0.000 2.563 195 G HA2 0.340 4.299 3.960 -0.000 0.000 0.283 195 G HA3 0.340 4.299 3.960 -0.000 0.000 0.283 195 G C -0.509 174.482 174.900 0.153 0.000 1.309 195 G CA -0.319 44.895 45.100 0.191 0.000 1.022 195 G HN 0.006 nan 8.290 nan 0.000 0.501 196 T N -0.920 113.710 114.554 0.126 0.000 2.882 196 T HA 0.501 4.851 4.350 -0.000 0.000 0.287 196 T C 1.333 176.074 174.700 0.068 0.000 0.992 196 T CA 1.308 63.469 62.100 0.102 0.000 1.076 196 T CB 0.439 69.364 68.868 0.096 0.000 0.961 196 T HN 1.639 nan 8.240 nan 0.000 0.490 197 G N 3.787 112.618 108.800 0.052 0.000 2.692 197 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.339 197 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.339 197 G C 1.006 175.920 174.900 0.023 0.000 1.226 197 G CA 1.132 46.252 45.100 0.033 0.000 0.979 197 G HN 0.763 nan 8.290 nan 0.000 0.549 198 T N 2.360 116.930 114.554 0.028 0.000 3.084 198 T HA 0.271 4.620 4.350 -0.000 0.000 0.270 198 T C 0.951 175.662 174.700 0.019 0.000 1.008 198 T CA 0.031 62.144 62.100 0.022 0.000 0.900 198 T CB -0.027 68.853 68.868 0.020 0.000 1.084 198 T HN 0.481 nan 8.240 nan 0.000 0.538 199 R N 1.879 122.399 120.500 0.034 0.000 2.570 199 R HA 0.444 4.784 4.340 -0.000 0.000 0.277 199 R C 0.433 176.739 176.300 0.011 0.000 1.039 199 R CA -0.190 55.932 56.100 0.038 0.000 1.065 199 R CB 0.307 30.657 30.300 0.084 0.000 0.964 199 R HN 0.235 nan 8.270 nan 0.000 0.428 200 A N 2.968 125.753 122.820 -0.057 0.000 2.566 200 A HA 0.090 4.410 4.320 -0.000 0.000 0.245 200 A C -0.078 177.464 177.584 -0.070 0.000 1.056 200 A CA 0.512 52.493 52.037 -0.093 0.000 0.757 200 A CB 0.100 18.959 19.000 -0.235 0.000 0.979 200 A HN 0.653 nan 8.150 nan 0.000 0.508 201 T N 3.106 117.623 114.554 -0.062 0.000 2.879 201 T HA 0.458 4.808 4.350 -0.000 0.000 0.290 201 T C -0.407 174.273 174.700 -0.032 0.000 0.993 201 T CA -0.180 61.897 62.100 -0.039 0.000 0.975 201 T CB 0.523 69.456 68.868 0.109 0.000 0.981 201 T HN 0.373 nan 8.240 nan 0.000 0.439 202 F N 4.149 124.158 119.950 0.098 0.000 2.571 202 F HA 0.351 4.878 4.527 -0.000 0.000 0.384 202 F C 0.965 176.760 175.800 -0.009 0.000 1.058 202 F CA -0.467 57.564 58.000 0.052 0.000 1.200 202 F CB 0.109 39.093 39.000 -0.027 0.000 1.077 202 F HN 0.446 nan 8.300 nan 0.000 0.558 203 I N 0.239 120.919 120.570 0.183 0.000 3.206 203 I HA 0.712 4.882 4.170 -0.000 0.000 0.313 203 I C -1.068 175.009 176.117 -0.066 0.000 1.103 203 I CA -1.081 60.188 61.300 -0.053 0.000 0.985 203 I CB 2.417 40.373 38.000 -0.073 0.000 1.240 203 I HN 0.422 nan 8.210 nan 0.000 0.464 204 N N -0.374 118.094 118.700 -0.387 0.000 2.416 204 N HA 0.612 5.352 4.740 -0.000 0.000 0.276 204 N C -0.393 174.783 175.510 -0.555 0.000 1.261 204 N CA 0.134 53.013 53.050 -0.285 0.000 0.790 204 N CB 2.431 40.883 38.487 -0.059 0.000 1.554 204 N HN 0.935 nan 8.380 nan 0.000 0.481 205 T N -1.975 112.505 114.554 -0.123 0.000 3.447 205 T HA 0.371 4.721 4.350 -0.000 0.000 0.218 205 T C 0.358 174.985 174.700 -0.121 0.000 0.972 205 T CA -0.041 61.936 62.100 -0.206 0.000 1.264 205 T CB -0.728 67.918 68.868 -0.370 0.000 1.284 205 T HN 0.216 nan 8.240 nan 0.000 0.361 206 F N 3.213 123.231 119.950 0.114 0.000 2.593 206 F HA 0.307 4.834 4.527 -0.000 0.000 0.393 206 F C 1.673 177.415 175.800 -0.097 0.000 1.037 206 F CA 0.187 58.201 58.000 0.023 0.000 1.195 206 F CB 0.271 39.325 39.000 0.091 0.000 1.034 206 F HN 0.295 nan 8.300 nan 0.000 0.552 207 Q N 2.146 121.889 119.800 -0.095 0.000 1.982 207 Q HA 0.129 4.469 4.340 -0.000 0.000 0.208 207 Q C 0.413 176.202 176.000 -0.353 0.000 0.751 207 Q CA 0.076 55.681 55.803 -0.329 0.000 0.914 207 Q CB 0.748 28.855 28.738 -1.051 0.000 1.207 207 Q HN 0.674 nan 8.270 nan 0.000 0.433 208 R N 0.736 121.021 120.500 -0.358 0.000 2.865 208 R HA 0.440 4.780 4.340 -0.000 0.000 0.370 208 R C 0.328 176.364 176.300 -0.441 0.000 1.168 208 R CA 0.372 55.908 56.100 -0.940 0.000 1.058 208 R CB 1.063 30.980 30.300 -0.638 0.000 1.419 208 R HN 0.232 nan 8.270 nan 0.000 0.580 209 G N 1.787 110.533 108.800 -0.091 0.000 2.741 209 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.222 209 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.222 209 G C 0.676 175.641 174.900 0.109 0.000 1.364 209 G CA 0.102 45.266 45.100 0.106 0.000 0.866 209 G HN 0.538 nan 8.290 nan 0.000 0.555 210 E N -0.995 119.229 120.200 0.039 0.000 2.268 210 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 210 E C 1.637 178.299 176.600 0.104 0.000 0.995 210 E CA 1.457 57.865 56.400 0.014 0.000 0.836 210 E CB -0.003 29.613 29.700 -0.139 0.000 0.763 210 E HN 0.393 nan 8.360 nan 0.000 0.491 211 Q N 0.734 120.600 119.800 0.109 0.000 2.220 211 Q HA 0.116 4.456 4.340 -0.000 0.000 0.205 211 Q C -0.290 175.789 176.000 0.132 0.000 0.865 211 Q CA 0.138 56.007 55.803 0.110 0.000 0.960 211 Q CB 0.753 29.554 28.738 0.105 0.000 1.097 211 Q HN 0.402 nan 8.270 nan 0.000 0.493 212 E N 2.142 122.434 120.200 0.154 0.000 1.893 212 E HA 0.111 4.460 4.350 -0.000 0.000 0.269 212 E C -0.231 176.482 176.600 0.187 0.000 1.129 212 E CA -0.199 56.300 56.400 0.166 0.000 0.904 212 E CB 0.452 30.247 29.700 0.160 0.000 1.077 212 E HN 0.129 nan 8.360 nan 0.000 0.407 213 S N 2.400 118.203 115.700 0.171 0.000 2.606 213 S HA 0.025 4.495 4.470 -0.000 0.000 0.257 213 S C 1.267 175.986 174.600 0.199 0.000 1.327 213 S CA -0.134 58.175 58.200 0.182 0.000 0.984 213 S CB 1.263 64.608 63.200 0.242 0.000 0.941 213 S HN 0.447 nan 8.310 nan 0.000 0.576 214 T N 0.278 114.903 114.554 0.118 0.000 2.897 214 T HA -0.109 4.241 4.350 -0.000 0.000 0.271 214 T C 0.885 175.436 174.700 -0.248 0.000 1.084 214 T CA 1.617 63.622 62.100 -0.159 0.000 1.123 214 T CB -0.515 68.162 68.868 -0.318 0.000 0.865 214 T HN 0.763 nan 8.240 nan 0.000 0.496 215 W N 1.573 122.877 121.300 0.007 0.000 2.937 215 W HA 0.193 4.853 4.660 -0.000 0.000 0.245 215 W C 1.797 178.426 176.519 0.183 0.000 1.306 215 W CA -0.096 57.251 57.345 0.004 0.000 1.470 215 W CB -0.001 29.366 29.460 -0.155 0.000 1.132 215 W HN 0.310 nan 8.180 nan 0.000 0.675 216 E N -0.742 119.619 120.200 0.269 0.000 2.583 216 E HA 0.029 4.379 4.350 -0.000 0.000 0.213 216 E C 0.872 177.554 176.600 0.136 0.000 0.989 216 E CA 0.006 56.536 56.400 0.217 0.000 0.991 216 E CB 0.421 30.243 29.700 0.203 0.000 1.040 216 E HN -0.019 nan 8.360 nan 0.000 0.481 217 T N -1.386 113.197 114.554 0.048 0.000 2.847 217 T HA 0.536 4.886 4.350 -0.000 0.000 0.279 217 T C 0.249 174.979 174.700 0.050 0.000 0.984 217 T CA -0.592 61.498 62.100 -0.017 0.000 0.988 217 T CB 1.290 70.003 68.868 -0.258 0.000 1.040 217 T HN -0.055 nan 8.240 nan 0.000 0.528 218 I N 2.100 122.751 120.570 0.135 0.000 2.437 218 I HA 0.324 4.494 4.170 -0.000 0.000 0.279 218 I C -2.563 173.657 176.117 0.172 0.000 1.028 218 I CA -2.678 58.717 61.300 0.159 0.000 1.142 218 I CB 1.973 40.102 38.000 0.217 0.000 1.266 218 I HN 0.419 nan 8.210 nan 0.000 0.461 219 P HA 0.078 nan 4.420 nan 0.000 0.268 219 P C -1.119 175.933 177.300 -0.413 0.000 1.204 219 P CA 0.465 63.359 63.100 -0.343 0.000 0.768 219 P CB 0.363 31.580 31.700 -0.806 0.000 0.842 220 H N 1.135 119.753 119.070 -0.753 0.000 3.046 220 H HA 0.442 4.997 4.556 -0.000 0.000 0.361 220 H C -3.228 171.457 175.328 -1.072 0.000 1.235 220 H CA -2.868 52.326 56.048 -1.422 0.000 1.146 220 H CB 0.917 30.012 29.762 -1.110 0.000 1.859 220 H HN 0.124 nan 8.280 nan 0.000 0.548 221 P HA 0.110 nan 4.420 nan 0.000 0.275 221 P C 0.386 177.565 177.300 -0.201 0.000 1.228 221 P CA -0.254 62.520 63.100 -0.544 0.000 0.786 221 P CB 1.295 32.783 31.700 -0.353 0.000 0.927 222 S N 1.645 117.279 115.700 -0.110 0.000 2.402 222 S HA 0.020 4.490 4.470 -0.000 0.000 0.229 222 S C 1.157 175.703 174.600 -0.089 0.000 1.021 222 S CA 0.753 58.874 58.200 -0.131 0.000 0.974 222 S CB -0.387 62.685 63.200 -0.214 0.000 0.800 222 S HN 0.463 nan 8.310 nan 0.000 0.484 223 I N 2.479 123.063 120.570 0.023 0.000 2.307 223 I HA 0.257 4.427 4.170 -0.000 0.000 0.287 223 I C -0.313 175.856 176.117 0.087 0.000 1.054 223 I CA -0.413 60.931 61.300 0.075 0.000 1.218 223 I CB 0.992 39.069 38.000 0.128 0.000 1.398 223 I HN -0.013 nan 8.210 nan 0.000 0.475 224 E N 5.843 126.097 120.200 0.090 0.000 2.089 224 E HA 0.173 4.523 4.350 -0.000 0.000 0.284 224 E C -0.073 176.529 176.600 0.003 0.000 1.023 224 E CA 0.143 56.623 56.400 0.133 0.000 0.819 224 E CB 0.735 30.567 29.700 0.221 0.000 1.076 224 E HN 0.493 nan 8.360 nan 0.000 0.396 225 E N 3.924 124.142 120.200 0.030 0.000 2.660 225 E HA 0.135 4.485 4.350 -0.000 0.000 0.216 225 E C -0.560 176.027 176.600 -0.021 0.000 0.986 225 E CA -0.154 56.177 56.400 -0.115 0.000 1.037 225 E CB 0.157 29.848 29.700 -0.015 0.000 1.041 225 E HN 0.573 nan 8.360 nan 0.000 0.480 226 F N -1.582 118.433 119.950 0.108 0.000 2.953 226 F HA -0.319 4.208 4.527 -0.000 0.000 0.292 226 F C 1.699 177.492 175.800 -0.013 0.000 0.747 226 F CA 1.107 59.140 58.000 0.056 0.000 1.222 226 F CB -2.217 36.802 39.000 0.032 0.000 1.457 226 F HN 0.217 nan 8.300 nan 0.000 0.383 227 K N -0.839 119.634 120.400 0.123 0.000 2.155 227 K HA 0.137 4.457 4.320 -0.000 0.000 0.203 227 K C 0.626 176.984 176.600 -0.404 0.000 1.052 227 K CA 1.853 58.023 56.287 -0.195 0.000 0.948 227 K CB -0.269 32.043 32.500 -0.313 0.000 0.728 227 K HN 0.420 nan 8.250 nan 0.000 0.448 228 Y N -2.367 118.091 120.300 0.263 0.000 2.686 228 Y HA 0.488 5.037 4.550 -0.000 0.000 0.330 228 Y C 1.617 177.562 175.900 0.074 0.000 1.082 228 Y CA -0.636 57.617 58.100 0.256 0.000 1.158 228 Y CB 1.774 40.541 38.460 0.511 0.000 1.333 228 Y HN 0.453 nan 8.280 nan 0.000 0.519 229 G N 0.044 108.888 108.800 0.075 0.000 2.509 229 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.256 229 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.256 229 G C 0.234 174.893 174.900 -0.402 0.000 1.152 229 G CA -0.283 44.475 45.100 -0.569 0.000 0.951 229 G HN 1.241 nan 8.290 nan 0.000 0.559 230 G N -0.606 107.874 108.800 -0.534 0.000 2.671 230 G HA2 0.656 4.615 3.960 -0.000 0.000 0.275 230 G HA3 0.656 4.615 3.960 -0.000 0.000 0.275 230 G C -1.093 173.523 174.900 -0.473 0.000 1.368 230 G CA 0.337 45.027 45.100 -0.683 0.000 1.044 230 G HN 0.579 nan 8.290 nan 0.000 0.543 231 P HA -0.019 nan 4.420 nan 0.000 0.220 231 P C 0.645 177.571 177.300 -0.624 0.000 1.148 231 P CA 0.860 63.706 63.100 -0.423 0.000 0.803 231 P CB 0.248 31.725 31.700 -0.372 0.000 0.782 232 N N -0.581 117.696 118.700 -0.705 0.000 2.453 232 N HA 0.176 4.916 4.740 -0.000 0.000 0.270 232 N C 1.165 176.342 175.510 -0.554 0.000 1.195 232 N CA 0.609 53.023 53.050 -1.060 0.000 0.902 232 N CB 0.333 38.301 38.487 -0.865 0.000 1.186 232 N HN 0.056 nan 8.380 nan 0.000 0.510 233 G N 1.719 110.357 108.800 -0.269 0.000 2.660 233 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.321 233 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.321 233 G C 0.360 175.215 174.900 -0.074 0.000 1.246 233 G CA 0.521 45.679 45.100 0.096 0.000 1.000 233 G HN 0.342 nan 8.290 nan 0.000 0.550 234 F N 1.138 121.192 119.950 0.173 0.000 2.678 234 F HA 0.430 4.957 4.527 -0.000 0.000 0.305 234 F C 2.478 178.214 175.800 -0.108 0.000 1.090 234 F CA 0.262 58.289 58.000 0.044 0.000 1.272 234 F CB 0.047 39.071 39.000 0.039 0.000 1.060 234 F HN 0.207 nan 8.300 nan 0.000 0.576 235 L N 0.493 121.817 121.223 0.168 0.000 2.013 235 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 235 L C 1.838 178.708 176.870 0.000 0.000 1.073 235 L CA 1.734 56.676 54.840 0.170 0.000 0.753 235 L CB -0.656 41.575 42.059 0.286 0.000 0.890 235 L HN 0.179 nan 8.230 nan 0.000 0.432 236 D N -0.432 119.851 120.400 -0.196 0.000 2.324 236 D HA -0.066 4.574 4.640 -0.000 0.000 0.235 236 D C 1.810 177.980 176.300 -0.216 0.000 1.095 236 D CA 0.407 54.307 54.000 -0.165 0.000 0.871 236 D CB -0.306 40.291 40.800 -0.339 0.000 0.906 236 D HN 0.331 nan 8.370 nan 0.000 0.522 237 L N -1.280 119.601 121.223 -0.569 0.000 2.341 237 L HA 0.072 4.412 4.340 -0.000 0.000 0.214 237 L C 1.193 177.729 176.870 -0.556 0.000 1.115 237 L CA 0.583 54.850 54.840 -0.955 0.000 0.820 237 L CB -0.116 40.922 42.059 -1.701 0.000 0.944 237 L HN -0.027 nan 8.230 nan 0.000 0.452 238 F N -1.584 118.382 119.950 0.026 0.000 2.537 238 F HA 0.146 4.673 4.527 -0.000 0.000 0.275 238 F C 1.181 177.110 175.800 0.215 0.000 0.947 238 F CA -0.170 57.899 58.000 0.116 0.000 1.238 238 F CB -0.225 38.777 39.000 0.004 0.000 1.071 238 F HN -0.158 nan 8.300 nan 0.000 0.749 239 T N -0.940 113.812 114.554 0.330 0.000 2.881 239 T HA 0.399 4.749 4.350 -0.000 0.000 0.290 239 T C -0.924 173.942 174.700 0.278 0.000 1.000 239 T CA -0.854 61.396 62.100 0.251 0.000 0.978 239 T CB 2.315 71.278 68.868 0.160 0.000 0.997 239 T HN 0.081 nan 8.240 nan 0.000 0.443 240 K N 2.816 123.348 120.400 0.221 0.000 2.276 240 K HA 0.381 4.701 4.320 -0.000 0.000 0.285 240 K C -0.950 175.740 176.600 0.149 0.000 1.062 240 K CA -0.450 55.990 56.287 0.255 0.000 0.918 240 K CB 0.637 33.245 32.500 0.180 0.000 1.055 240 K HN 0.716 nan 8.250 nan 0.000 0.477 241 D N 2.715 123.137 120.400 0.037 0.000 2.450 241 D HA 0.285 4.925 4.640 -0.000 0.000 0.238 241 D C 0.628 176.782 176.300 -0.244 0.000 1.020 241 D CA -0.564 53.352 54.000 -0.140 0.000 1.010 241 D CB 1.490 42.084 40.800 -0.343 0.000 1.342 241 D HN 0.530 nan 8.370 nan 0.000 0.530 242 R N -0.185 120.221 120.500 -0.156 0.000 2.092 242 R HA 0.044 4.384 4.340 -0.000 0.000 0.231 242 R C 0.730 176.860 176.300 -0.283 0.000 1.119 242 R CA 0.895 56.879 56.100 -0.194 0.000 0.970 242 R CB -0.101 30.053 30.300 -0.242 0.000 0.864 242 R HN 0.461 nan 8.270 nan 0.000 0.440 243 S N -1.703 113.751 115.700 -0.409 0.000 2.685 243 S HA 0.489 4.958 4.470 -0.000 0.000 0.282 243 S C -1.360 172.916 174.600 -0.540 0.000 1.159 243 S CA -1.055 56.928 58.200 -0.361 0.000 0.833 243 S CB 1.250 64.355 63.200 -0.158 0.000 1.151 243 S HN 0.097 nan 8.310 nan 0.000 0.485 244 Y N 0.005 120.363 120.300 0.097 0.000 2.338 244 Y HA 0.739 5.289 4.550 -0.000 0.000 0.333 244 Y C 0.254 176.384 175.900 0.383 0.000 0.968 244 Y CA -0.624 57.601 58.100 0.209 0.000 1.123 244 Y CB 2.055 40.594 38.460 0.130 0.000 1.165 244 Y HN 1.086 nan 8.280 nan 0.000 0.452 245 A N 3.474 126.606 122.820 0.521 0.000 2.355 245 A HA 0.657 4.977 4.320 -0.000 0.000 0.324 245 A C -0.782 177.008 177.584 0.343 0.000 1.117 245 A CA -1.195 51.104 52.037 0.437 0.000 0.785 245 A CB 0.967 20.197 19.000 0.384 0.000 1.254 245 A HN 0.765 nan 8.150 nan 0.000 0.453 246 K N 1.053 121.416 120.400 -0.063 0.000 2.436 246 K HA 0.324 4.644 4.320 -0.000 0.000 0.275 246 K C -0.105 176.510 176.600 0.026 0.000 0.999 246 K CA 0.459 56.567 56.287 -0.299 0.000 0.980 246 K CB 0.244 32.500 32.500 -0.406 0.000 0.919 246 K HN 0.830 nan 8.250 nan 0.000 0.484 247 Q N 1.973 121.786 119.800 0.022 0.000 2.702 247 Q HA 0.389 4.729 4.340 -0.000 0.000 0.289 247 Q C -1.544 174.455 176.000 -0.001 0.000 0.923 247 Q CA -1.213 54.583 55.803 -0.011 0.000 0.787 247 Q CB 0.984 29.791 28.738 0.114 0.000 1.476 247 Q HN 0.700 nan 8.270 nan 0.000 0.402 248 W N 0.733 121.912 121.300 -0.201 0.000 2.706 248 W HA 0.855 5.515 4.660 -0.000 0.000 0.346 248 W C -1.044 175.186 176.519 -0.481 0.000 1.071 248 W CA -0.803 56.321 57.345 -0.369 0.000 1.206 248 W CB 1.456 30.642 29.460 -0.455 0.000 1.413 248 W HN 0.901 nan 8.180 nan 0.000 0.542 249 R N 1.602 121.767 120.500 -0.558 0.000 2.604 249 R HA 0.496 4.836 4.340 -0.000 0.000 0.270 249 R C -2.247 173.467 176.300 -0.977 0.000 1.052 249 R CA -0.728 54.942 56.100 -0.717 0.000 0.902 249 R CB 1.124 31.343 30.300 -0.135 0.000 1.233 249 R HN 0.562 nan 8.270 nan 0.000 0.455 250 Y N -0.142 119.751 120.300 -0.679 0.000 2.598 250 Y HA 0.716 5.266 4.550 -0.000 0.000 0.340 250 Y C 0.038 175.801 175.900 -0.230 0.000 1.038 250 Y CA -0.943 56.763 58.100 -0.656 0.000 1.100 250 Y CB 2.690 40.407 38.460 -1.239 0.000 1.281 250 Y HN 0.616 nan 8.280 nan 0.000 0.488 251 T N 2.375 117.219 114.554 0.484 0.000 3.071 251 T HA 0.253 4.603 4.350 -0.000 0.000 0.311 251 T C -1.025 173.946 174.700 0.451 0.000 1.042 251 T CA -1.129 61.225 62.100 0.423 0.000 1.028 251 T CB 0.878 69.932 68.868 0.310 0.000 1.068 251 T HN 0.703 nan 8.240 nan 0.000 0.451 252 N N 1.403 120.370 118.700 0.445 0.000 2.476 252 N HA 0.705 5.445 4.740 -0.000 0.000 0.276 252 N C -1.169 174.466 175.510 0.208 0.000 1.204 252 N CA -0.914 52.338 53.050 0.336 0.000 0.974 252 N CB 1.702 40.387 38.487 0.329 0.000 1.204 252 N HN 0.664 nan 8.380 nan 0.000 0.543 253 A N 1.027 123.920 122.820 0.120 0.000 2.466 253 A HA 0.446 4.766 4.320 -0.000 0.000 0.291 253 A C -2.051 175.474 177.584 -0.099 0.000 1.234 253 A CA -1.226 50.796 52.037 -0.025 0.000 0.752 253 A CB 1.403 20.353 19.000 -0.084 0.000 1.153 253 A HN 0.674 nan 8.150 nan 0.000 0.458 254 P HA -0.074 nan 4.420 nan 0.000 0.237 254 P C 0.487 177.691 177.300 -0.158 0.000 1.178 254 P CA 0.927 64.010 63.100 -0.029 0.000 0.766 254 P CB 0.204 31.954 31.700 0.084 0.000 0.876 255 D N 0.336 120.465 120.400 -0.452 0.000 2.269 255 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 255 D C 1.705 177.810 176.300 -0.326 0.000 0.963 255 D CA 0.913 54.630 54.000 -0.471 0.000 0.864 255 D CB -0.688 39.623 40.800 -0.816 0.000 0.936 255 D HN 0.100 nan 8.370 nan 0.000 0.505 256 A N 1.232 123.903 122.820 -0.249 0.000 1.841 256 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 256 A C 2.192 179.715 177.584 -0.102 0.000 1.195 256 A CA 1.618 53.571 52.037 -0.140 0.000 0.611 256 A CB -0.699 18.282 19.000 -0.031 0.000 0.835 256 A HN 0.134 nan 8.150 nan 0.000 0.443 257 E N -0.139 120.026 120.200 -0.057 0.000 2.070 257 E HA -0.109 4.241 4.350 -0.000 0.000 0.197 257 E C 2.073 178.664 176.600 -0.016 0.000 1.004 257 E CA 1.391 57.787 56.400 -0.007 0.000 0.805 257 E CB -0.687 29.040 29.700 0.045 0.000 0.744 257 E HN 0.572 nan 8.360 nan 0.000 0.451 258 G N 0.558 109.325 108.800 -0.056 0.000 2.476 258 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.218 258 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.218 258 G C 1.578 176.395 174.900 -0.139 0.000 1.164 258 G CA 1.035 46.085 45.100 -0.084 0.000 0.768 258 G HN 0.160 nan 8.290 nan 0.000 0.560 259 R N 0.466 120.834 120.500 -0.219 0.000 2.075 259 R HA 0.065 4.405 4.340 -0.000 0.000 0.232 259 R C 2.902 179.035 176.300 -0.278 0.000 1.126 259 R CA 1.326 57.203 56.100 -0.372 0.000 0.963 259 R CB -0.346 29.641 30.300 -0.521 0.000 0.858 259 R HN 0.307 nan 8.270 nan 0.000 0.435 260 A N 0.824 123.588 122.820 -0.094 0.000 1.933 260 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 260 A C 2.082 179.805 177.584 0.232 0.000 1.175 260 A CA 1.239 53.340 52.037 0.107 0.000 0.628 260 A CB -0.368 18.705 19.000 0.122 0.000 0.814 260 A HN 0.330 nan 8.150 nan 0.000 0.444 261 I N -0.840 119.814 120.570 0.139 0.000 2.286 261 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 261 I C 2.720 178.817 176.117 -0.034 0.000 1.104 261 I CA 1.499 62.851 61.300 0.086 0.000 1.397 261 I CB -0.335 37.647 38.000 -0.030 0.000 1.072 261 I HN 0.492 nan 8.210 nan 0.000 0.417 262 Q N 1.245 121.012 119.800 -0.055 0.000 2.133 262 Q HA -0.298 4.042 4.340 -0.000 0.000 0.208 262 Q C 2.284 178.371 176.000 0.144 0.000 0.991 262 Q CA 2.347 58.191 55.803 0.069 0.000 0.867 262 Q CB -0.133 28.586 28.738 -0.032 0.000 0.911 262 Q HN 0.576 nan 8.270 nan 0.000 0.417 263 A N -0.253 122.570 122.820 0.005 0.000 1.898 263 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 263 A C 2.165 179.944 177.584 0.325 0.000 1.181 263 A CA 1.410 53.545 52.037 0.163 0.000 0.620 263 A CB -0.548 18.545 19.000 0.156 0.000 0.819 263 A HN 0.311 nan 8.150 nan 0.000 0.442 264 V N -1.185 118.886 119.914 0.262 0.000 2.626 264 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 264 V C 2.270 178.509 176.094 0.241 0.000 1.067 264 V CA 1.855 64.308 62.300 0.255 0.000 1.081 264 V CB -1.076 30.872 31.823 0.208 0.000 0.686 264 V HN 0.733 nan 8.190 nan 0.000 0.468 265 Y N -0.026 120.209 120.300 -0.110 0.000 2.097 265 Y HA -0.281 4.268 4.550 -0.000 0.000 0.282 265 Y C 2.163 177.831 175.900 -0.386 0.000 1.152 265 Y CA 1.887 59.759 58.100 -0.379 0.000 1.136 265 Y CB -0.401 37.638 38.460 -0.700 0.000 0.975 265 Y HN 0.285 nan 8.280 nan 0.000 0.498 266 W N 0.131 121.351 121.300 -0.134 0.000 2.358 266 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 266 W C 2.747 178.853 176.519 -0.689 0.000 1.208 266 W CA 1.512 58.384 57.345 -0.787 0.000 1.274 266 W CB -0.839 28.033 29.460 -0.981 0.000 1.138 266 W HN 0.165 nan 8.180 nan 0.000 0.515 267 A N 0.465 123.347 122.820 0.104 0.000 1.917 267 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 267 A C 1.976 179.405 177.584 -0.258 0.000 1.182 267 A CA 2.144 54.313 52.037 0.220 0.000 0.633 267 A CB -1.075 18.106 19.000 0.302 0.000 0.819 267 A HN 0.489 nan 8.150 nan 0.000 0.448 268 N N -0.668 117.873 118.700 -0.265 0.000 2.250 268 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 268 N C 1.858 177.142 175.510 -0.377 0.000 1.017 268 N CA 1.272 54.118 53.050 -0.339 0.000 0.866 268 N CB -0.193 38.163 38.487 -0.219 0.000 0.985 268 N HN 0.573 nan 8.380 nan 0.000 0.429 269 K N 0.213 120.301 120.400 -0.521 0.000 1.985 269 K HA -0.136 4.183 4.320 -0.000 0.000 0.210 269 K C 1.911 178.446 176.600 -0.108 0.000 1.047 269 K CA 1.250 57.274 56.287 -0.438 0.000 0.932 269 K CB -0.218 31.875 32.500 -0.678 0.000 0.716 269 K HN 0.225 nan 8.250 nan 0.000 0.439 270 W N 0.412 121.745 121.300 0.054 0.000 2.363 270 W HA -0.063 4.597 4.660 -0.000 0.000 0.296 270 W C 2.306 178.884 176.519 0.100 0.000 1.212 270 W CA 0.889 58.338 57.345 0.173 0.000 1.260 270 W CB -1.067 28.644 29.460 0.419 0.000 1.131 270 W HN 0.263 nan 8.180 nan 0.000 0.530 271 A N 0.500 123.256 122.820 -0.108 0.000 1.933 271 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 271 A C 2.038 179.538 177.584 -0.139 0.000 1.175 271 A CA 2.315 54.117 52.037 -0.393 0.000 0.628 271 A CB -0.638 17.666 19.000 -1.160 0.000 0.814 271 A HN 0.160 nan 8.150 nan 0.000 0.444 272 K N 0.429 120.751 120.400 -0.129 0.000 2.103 272 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 272 K C 1.713 178.309 176.600 -0.006 0.000 1.052 272 K CA 1.692 57.929 56.287 -0.084 0.000 0.945 272 K CB -0.319 32.116 32.500 -0.108 0.000 0.722 272 K HN 0.580 nan 8.250 nan 0.000 0.443 273 E N 0.259 120.492 120.200 0.056 0.000 2.171 273 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 273 E C 1.372 178.020 176.600 0.080 0.000 0.997 273 E CA 1.317 57.771 56.400 0.090 0.000 0.810 273 E CB -0.009 29.792 29.700 0.168 0.000 0.738 273 E HN 0.499 nan 8.360 nan 0.000 0.467 274 Q N -0.613 119.251 119.800 0.107 0.000 2.280 274 Q HA 0.135 4.475 4.340 -0.000 0.000 0.202 274 Q C 0.771 176.809 176.000 0.064 0.000 0.903 274 Q CA 0.260 56.126 55.803 0.104 0.000 0.948 274 Q CB 0.851 29.707 28.738 0.198 0.000 1.058 274 Q HN 0.322 nan 8.270 nan 0.000 0.493 275 G N 1.943 110.760 108.800 0.029 0.000 2.296 275 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.282 275 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.282 275 G C 0.485 175.383 174.900 -0.003 0.000 1.014 275 G CA 0.874 45.976 45.100 0.003 0.000 0.812 275 G HN 0.355 nan 8.290 nan 0.000 0.508 276 K N -0.320 120.073 120.400 -0.011 0.000 2.478 276 K HA 0.300 4.620 4.320 -0.000 0.000 0.205 276 K C 1.520 178.023 176.600 -0.162 0.000 1.033 276 K CA 0.231 56.499 56.287 -0.031 0.000 1.091 276 K CB 0.822 33.374 32.500 0.086 0.000 0.844 276 K HN 0.265 nan 8.250 nan 0.000 0.507 277 G N 1.299 109.993 108.800 -0.177 0.000 3.008 277 G HA2 0.045 4.004 3.960 -0.000 0.000 0.272 277 G HA3 0.045 4.004 3.960 -0.000 0.000 0.272 277 G C 0.471 175.253 174.900 -0.196 0.000 0.764 277 G CA 0.145 45.098 45.100 -0.245 0.000 2.029 277 G HN 0.225 nan 8.290 nan 0.000 0.587 278 S N -0.789 114.799 115.700 -0.186 0.000 2.506 278 S HA 0.252 4.722 4.470 -0.000 0.000 0.255 278 S C 1.916 176.440 174.600 -0.126 0.000 0.976 278 S CA 1.189 59.301 58.200 -0.147 0.000 1.493 278 S CB -0.358 62.781 63.200 -0.102 0.000 1.241 278 S HN 0.741 nan 8.310 nan 0.000 0.655 279 A N 1.814 124.552 122.820 -0.137 0.000 1.972 279 A HA 0.180 4.500 4.320 -0.000 0.000 0.219 279 A C 1.819 179.353 177.584 -0.084 0.000 1.169 279 A CA 1.846 53.840 52.037 -0.072 0.000 0.635 279 A CB -0.735 18.244 19.000 -0.036 0.000 0.810 279 A HN 1.379 nan 8.150 nan 0.000 0.446 280 V N -4.404 115.393 119.914 -0.196 0.000 3.214 280 V HA 0.630 4.750 4.120 -0.000 0.000 0.330 280 V C 1.658 177.622 176.094 -0.217 0.000 1.403 280 V CA 0.319 62.514 62.300 -0.175 0.000 1.143 280 V CB -0.752 30.940 31.823 -0.217 0.000 1.098 280 V HN 0.410 nan 8.190 nan 0.000 0.463 281 A N 2.276 124.975 122.820 -0.202 0.000 1.877 281 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 281 A C 2.499 179.938 177.584 -0.242 0.000 1.186 281 A CA 2.487 54.388 52.037 -0.228 0.000 0.620 281 A CB -0.932 17.960 19.000 -0.180 0.000 0.822 281 A HN 1.036 nan 8.150 nan 0.000 0.443 282 S N -0.717 114.870 115.700 -0.189 0.000 2.447 282 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 282 S C 1.646 176.074 174.600 -0.286 0.000 1.006 282 S CA 1.220 59.304 58.200 -0.194 0.000 0.957 282 S CB -0.527 62.601 63.200 -0.120 0.000 0.773 282 S HN 0.217 nan 8.310 nan 0.000 0.507 283 V N 1.380 121.098 119.914 -0.326 0.000 2.407 283 V HA -0.066 4.054 4.120 -0.000 0.000 0.245 283 V C 2.623 178.334 176.094 -0.637 0.000 1.041 283 V CA 1.263 63.229 62.300 -0.557 0.000 1.040 283 V CB -0.608 30.987 31.823 -0.380 0.000 0.671 283 V HN 0.436 nan 8.190 nan 0.000 0.455 284 V N 0.104 119.725 119.914 -0.489 0.000 2.287 284 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 284 V C 2.748 178.482 176.094 -0.601 0.000 1.053 284 V CA 2.564 64.487 62.300 -0.629 0.000 1.027 284 V CB -0.780 30.606 31.823 -0.729 0.000 0.646 284 V HN 0.674 nan 8.190 nan 0.000 0.447 285 S N -0.377 115.051 115.700 -0.453 0.000 2.359 285 S HA -0.284 4.186 4.470 -0.000 0.000 0.224 285 S C 2.049 176.482 174.600 -0.279 0.000 1.035 285 S CA 2.062 60.065 58.200 -0.328 0.000 1.018 285 S CB -0.288 62.763 63.200 -0.250 0.000 0.876 285 S HN 0.653 nan 8.310 nan 0.000 0.448 286 K N 0.839 121.034 120.400 -0.340 0.000 2.097 286 K HA 0.071 4.391 4.320 -0.000 0.000 0.206 286 K C 2.447 178.990 176.600 -0.096 0.000 1.049 286 K CA 1.149 57.277 56.287 -0.265 0.000 0.933 286 K CB -0.392 31.948 32.500 -0.266 0.000 0.717 286 K HN 0.479 nan 8.250 nan 0.000 0.442 287 A N 1.453 124.090 122.820 -0.304 0.000 1.929 287 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 287 A C 2.364 180.030 177.584 0.137 0.000 1.176 287 A CA 1.539 53.569 52.037 -0.010 0.000 0.628 287 A CB -0.592 18.375 19.000 -0.055 0.000 0.816 287 A HN 0.302 nan 8.150 nan 0.000 0.444 288 A N 0.226 123.066 122.820 0.034 0.000 1.908 288 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 288 A C 2.130 179.760 177.584 0.078 0.000 1.181 288 A CA 2.139 54.212 52.037 0.061 0.000 0.627 288 A CB -0.479 18.475 19.000 -0.076 0.000 0.818 288 A HN 0.579 nan 8.150 nan 0.000 0.445 289 K N -0.798 119.615 120.400 0.021 0.000 2.057 289 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 289 K C 2.153 178.860 176.600 0.179 0.000 1.049 289 K CA 1.691 57.942 56.287 -0.059 0.000 0.931 289 K CB -0.277 32.006 32.500 -0.361 0.000 0.714 289 K HN 0.513 nan 8.250 nan 0.000 0.440 290 M N 0.227 120.028 119.600 0.334 0.000 2.080 290 M HA -0.108 4.372 4.480 -0.000 0.000 0.260 290 M C 1.947 178.448 176.300 0.334 0.000 1.068 290 M CA 2.248 57.818 55.300 0.450 0.000 1.109 290 M CB -0.481 32.419 32.600 0.499 0.000 1.342 290 M HN 0.295 nan 8.290 nan 0.000 0.405 291 G N -0.186 108.748 108.800 0.223 0.000 2.442 291 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 291 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 291 G C 1.140 176.295 174.900 0.425 0.000 1.141 291 G CA 1.313 46.498 45.100 0.142 0.000 0.763 291 G HN 0.494 nan 8.290 nan 0.000 0.554 292 D N 0.107 120.706 120.400 0.330 0.000 2.097 292 D HA -0.056 4.584 4.640 -0.000 0.000 0.197 292 D C 2.165 178.561 176.300 0.161 0.000 0.984 292 D CA 0.457 54.637 54.000 0.300 0.000 0.826 292 D CB -0.285 40.620 40.800 0.174 0.000 0.973 292 D HN 0.304 nan 8.370 nan 0.000 0.460 293 F N 0.024 120.060 119.950 0.144 0.000 2.269 293 F HA -0.101 4.426 4.527 -0.000 0.000 0.301 293 F C 2.107 177.979 175.800 0.120 0.000 1.082 293 F CA 0.143 58.186 58.000 0.071 0.000 1.360 293 F CB -0.141 38.842 39.000 -0.030 0.000 1.041 293 F HN 0.019 nan 8.300 nan 0.000 0.512 294 L N 0.243 121.701 121.223 0.393 0.000 2.447 294 L HA -0.176 4.164 4.340 -0.000 0.000 0.225 294 L C 2.116 179.139 176.870 0.256 0.000 1.148 294 L CA 1.297 56.362 54.840 0.375 0.000 0.808 294 L CB -1.067 41.331 42.059 0.564 0.000 0.928 294 L HN 0.072 nan 8.230 nan 0.000 0.448 295 R N -0.729 119.874 120.500 0.173 0.000 2.159 295 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 295 R C 1.872 178.288 176.300 0.193 0.000 1.131 295 R CA 1.127 57.236 56.100 0.016 0.000 0.982 295 R CB -0.343 29.971 30.300 0.023 0.000 0.868 295 R HN 0.501 nan 8.270 nan 0.000 0.453 296 N N 0.900 119.716 118.700 0.194 0.000 2.289 296 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 296 N C 0.481 176.123 175.510 0.219 0.000 1.016 296 N CA 1.343 54.526 53.050 0.221 0.000 0.872 296 N CB -0.096 38.474 38.487 0.138 0.000 0.973 296 N HN 0.329 nan 8.380 nan 0.000 0.433 297 D N 0.133 120.624 120.400 0.151 0.000 2.363 297 D HA 0.065 4.705 4.640 -0.000 0.000 0.226 297 D C 1.328 177.639 176.300 0.018 0.000 1.020 297 D CA 0.355 54.415 54.000 0.101 0.000 0.892 297 D CB 0.057 40.933 40.800 0.128 0.000 0.900 297 D HN 0.220 nan 8.370 nan 0.000 0.531 298 M N -0.326 119.195 119.600 -0.131 0.000 2.495 298 M HA 0.156 4.636 4.480 -0.000 0.000 0.237 298 M C -0.496 174.997 176.300 -1.344 0.000 1.131 298 M CA 0.279 55.220 55.300 -0.599 0.000 1.032 298 M CB 0.420 32.574 32.600 -0.743 0.000 1.513 298 M HN -0.113 nan 8.290 nan 0.000 0.488 299 F N -0.382 119.182 119.950 -0.643 0.000 2.522 299 F HA 0.285 4.811 4.527 -0.000 0.000 0.324 299 F C 0.376 175.871 175.800 -0.508 0.000 1.077 299 F CA -1.810 55.795 58.000 -0.658 0.000 0.944 299 F CB 0.723 39.450 39.000 -0.454 0.000 1.175 299 F HN -0.124 nan 8.300 nan 0.000 0.468 300 D N 2.103 122.378 120.400 -0.208 0.000 2.571 300 D HA -0.077 4.563 4.640 -0.000 0.000 0.231 300 D C 1.339 177.470 176.300 -0.282 0.000 1.133 300 D CA 0.559 54.515 54.000 -0.074 0.000 0.862 300 D CB 0.847 41.681 40.800 0.058 0.000 1.179 300 D HN 0.633 nan 8.370 nan 0.000 0.474 301 K N 2.239 122.488 120.400 -0.252 0.000 2.052 301 K HA -0.265 4.054 4.320 -0.000 0.000 0.215 301 K C 0.444 176.695 176.600 -0.582 0.000 1.053 301 K CA 1.530 57.554 56.287 -0.438 0.000 0.934 301 K CB -0.162 32.068 32.500 -0.451 0.000 0.717 301 K HN 0.624 nan 8.250 nan 0.000 0.450 302 Y N -0.521 119.809 120.300 0.050 0.000 2.756 302 Y HA 0.240 4.789 4.550 -0.000 0.000 0.300 302 Y C -0.707 175.297 175.900 0.173 0.000 1.113 302 Y CA -0.627 57.555 58.100 0.136 0.000 1.291 302 Y CB -0.234 38.385 38.460 0.265 0.000 1.175 302 Y HN 0.040 nan 8.280 nan 0.000 0.534 303 F N -1.722 118.324 119.950 0.161 0.000 3.079 303 F HA -0.322 4.205 4.527 -0.000 0.000 0.274 303 F C 0.311 176.141 175.800 0.050 0.000 0.940 303 F CA 0.109 58.161 58.000 0.087 0.000 0.932 303 F CB -1.531 37.483 39.000 0.022 0.000 0.891 303 F HN 0.034 nan 8.300 nan 0.000 0.722 304 M N 0.163 119.838 119.600 0.124 0.000 2.255 304 M HA 0.206 4.686 4.480 -0.000 0.000 0.336 304 M C 0.855 177.184 176.300 0.048 0.000 1.135 304 M CA -0.361 54.930 55.300 -0.015 0.000 1.145 304 M CB 0.715 33.129 32.600 -0.310 0.000 1.473 304 M HN 0.041 nan 8.290 nan 0.000 0.462 305 K N 1.619 122.030 120.400 0.018 0.000 2.448 305 K HA 0.133 4.453 4.320 -0.000 0.000 0.278 305 K C -0.331 176.317 176.600 0.081 0.000 1.009 305 K CA -0.246 56.070 56.287 0.049 0.000 0.995 305 K CB 0.397 32.910 32.500 0.022 0.000 0.917 305 K HN 0.420 nan 8.250 nan 0.000 0.481 306 I N 2.614 123.239 120.570 0.092 0.000 2.668 306 I HA -0.071 4.098 4.170 -0.000 0.000 0.285 306 I C 1.521 177.706 176.117 0.114 0.000 1.168 306 I CA 1.058 62.431 61.300 0.123 0.000 1.424 306 I CB -0.437 37.629 38.000 0.110 0.000 1.377 306 I HN 1.030 nan 8.210 nan 0.000 0.560 307 G N 4.993 113.882 108.800 0.148 0.000 2.157 307 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 307 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 307 G C 1.059 175.957 174.900 -0.004 0.000 0.979 307 G CA 0.526 45.685 45.100 0.098 0.000 0.650 307 G HN 0.837 nan 8.290 nan 0.000 0.529 308 A N -0.238 122.593 122.820 0.020 0.000 1.969 308 A HA 0.283 4.603 4.320 -0.000 0.000 0.218 308 A C 1.711 179.247 177.584 -0.080 0.000 1.169 308 A CA 2.106 54.126 52.037 -0.028 0.000 0.635 308 A CB -0.365 18.620 19.000 -0.024 0.000 0.810 308 A HN 1.411 nan 8.150 nan 0.000 0.445 309 Q N -0.974 118.771 119.800 -0.092 0.000 2.461 309 Q HA -0.218 4.122 4.340 -0.000 0.000 0.273 309 Q C -0.583 175.404 176.000 -0.021 0.000 1.163 309 Q CA 1.075 56.779 55.803 -0.164 0.000 0.929 309 Q CB -1.469 27.003 28.738 -0.443 0.000 1.334 309 Q HN 0.767 nan 8.270 nan 0.000 0.499 310 D N -1.169 119.257 120.400 0.043 0.000 2.769 310 D HA 0.151 4.790 4.640 -0.000 0.000 0.309 310 D C -1.057 175.175 176.300 -0.113 0.000 1.315 310 D CA -0.719 53.286 54.000 0.008 0.000 0.780 310 D CB 0.917 41.688 40.800 -0.048 0.000 1.312 310 D HN -0.011 nan 8.370 nan 0.000 0.437 311 K N 0.795 121.064 120.400 -0.218 0.000 3.006 311 K HA 0.279 4.598 4.320 -0.000 0.000 0.262 311 K C -0.404 176.015 176.600 -0.302 0.000 1.289 311 K CA -0.025 55.997 56.287 -0.442 0.000 1.245 311 K CB -0.019 32.205 32.500 -0.461 0.000 1.614 311 K HN 0.107 nan 8.250 nan 0.000 0.322 312 T N 4.133 118.548 114.554 -0.232 0.000 2.739 312 T HA 0.146 4.496 4.350 -0.000 0.000 0.298 312 T C -2.215 172.410 174.700 -0.125 0.000 0.929 312 T CA -1.620 60.395 62.100 -0.143 0.000 1.014 312 T CB 0.482 69.296 68.868 -0.090 0.000 0.914 312 T HN 0.200 nan 8.240 nan 0.000 0.509 313 P HA 0.360 nan 4.420 nan 0.000 0.271 313 P C -0.720 176.573 177.300 -0.011 0.000 1.218 313 P CA -0.405 62.668 63.100 -0.045 0.000 0.780 313 P CB 0.633 32.308 31.700 -0.041 0.000 0.901 314 A N 2.059 124.898 122.820 0.031 0.000 2.282 314 A HA 0.677 4.997 4.320 -0.000 0.000 0.324 314 A C 0.889 178.483 177.584 0.016 0.000 1.119 314 A CA -0.004 52.055 52.037 0.037 0.000 0.880 314 A CB 0.496 19.543 19.000 0.079 0.000 1.294 314 A HN 0.569 nan 8.150 nan 0.000 0.493 315 T N -3.532 111.027 114.554 0.009 0.000 3.016 315 T HA 0.437 4.787 4.350 -0.000 0.000 0.271 315 T C 0.892 175.580 174.700 -0.021 0.000 0.968 315 T CA 0.825 62.910 62.100 -0.026 0.000 0.891 315 T CB -0.035 68.819 68.868 -0.024 0.000 1.149 315 T HN 1.090 nan 8.240 nan 0.000 0.524 316 G N 0.304 109.124 108.800 0.033 0.000 3.410 316 G HA2 0.451 4.411 3.960 -0.000 0.000 0.189 316 G HA3 0.451 4.411 3.960 -0.000 0.000 0.189 316 G C -0.289 174.660 174.900 0.082 0.000 1.404 316 G CA -0.637 44.516 45.100 0.088 0.000 0.898 316 G HN 0.254 nan 8.290 nan 0.000 0.650 317 Y N 0.848 121.216 120.300 0.113 0.000 2.493 317 Y HA 0.175 4.725 4.550 -0.000 0.000 0.275 317 Y C 1.831 177.764 175.900 0.055 0.000 1.183 317 Y CA -0.246 57.933 58.100 0.130 0.000 1.258 317 Y CB 0.711 39.246 38.460 0.126 0.000 1.108 317 Y HN 0.214 nan 8.280 nan 0.000 0.521 318 D N -0.448 120.059 120.400 0.177 0.000 2.271 318 D HA -0.171 4.469 4.640 -0.000 0.000 0.207 318 D C 1.916 178.268 176.300 0.086 0.000 0.983 318 D CA 1.726 55.795 54.000 0.115 0.000 0.878 318 D CB -0.100 40.754 40.800 0.090 0.000 0.920 318 D HN 0.363 nan 8.370 nan 0.000 0.479 319 S N -1.085 114.684 115.700 0.115 0.000 2.540 319 S HA 0.392 4.862 4.470 -0.000 0.000 0.218 319 S C 0.784 175.341 174.600 -0.072 0.000 0.977 319 S CA -0.446 57.825 58.200 0.119 0.000 0.918 319 S CB 0.465 63.831 63.200 0.276 0.000 0.806 319 S HN 0.155 nan 8.310 nan 0.000 0.496 320 A N 2.192 124.808 122.820 -0.341 0.000 2.269 320 A HA 0.567 4.887 4.320 -0.000 0.000 0.302 320 A C 0.642 177.730 177.584 -0.828 0.000 1.266 320 A CA -0.596 50.766 52.037 -1.125 0.000 0.894 320 A CB -0.055 18.027 19.000 -1.529 0.000 1.147 320 A HN 0.702 nan 8.150 nan 0.000 0.537 321 H N 0.205 118.941 119.070 -0.555 0.000 2.551 321 H HA 0.175 4.731 4.556 -0.000 0.000 0.266 321 H C -0.168 175.002 175.328 -0.262 0.000 0.964 321 H CA 0.302 56.166 56.048 -0.307 0.000 1.180 321 H CB -0.570 29.066 29.762 -0.209 0.000 1.408 321 H HN 0.735 nan 8.280 nan 0.000 0.563 322 Y N -0.878 119.209 120.300 -0.354 0.000 4.753 322 Y HA -0.250 4.300 4.550 -0.000 0.000 0.232 322 Y C -0.205 175.592 175.900 -0.172 0.000 1.029 322 Y CA 0.369 58.283 58.100 -0.311 0.000 1.996 322 Y CB -2.176 36.105 38.460 -0.298 0.000 1.602 322 Y HN 0.250 nan 8.280 nan 0.000 0.621 323 L N -0.072 121.214 121.223 0.105 0.000 2.358 323 L HA 0.497 4.837 4.340 -0.000 0.000 0.268 323 L C 0.681 177.573 176.870 0.037 0.000 1.032 323 L CA -1.340 53.477 54.840 -0.039 0.000 0.805 323 L CB 0.494 42.328 42.059 -0.374 0.000 1.253 323 L HN -0.148 nan 8.230 nan 0.000 0.452 324 M N 1.850 121.473 119.600 0.039 0.000 2.266 324 M HA 0.265 4.745 4.480 -0.000 0.000 0.340 324 M C 0.281 176.612 176.300 0.051 0.000 1.486 324 M CA -0.090 55.269 55.300 0.098 0.000 1.209 324 M CB 0.129 32.822 32.600 0.154 0.000 1.714 324 M HN 0.705 nan 8.290 nan 0.000 0.459 325 A N 4.207 127.055 122.820 0.048 0.000 2.251 325 A HA 0.184 4.504 4.320 -0.000 0.000 0.278 325 A C 1.096 178.680 177.584 -0.000 0.000 1.206 325 A CA -0.468 51.532 52.037 -0.062 0.000 0.822 325 A CB 0.206 19.158 19.000 -0.080 0.000 1.187 325 A HN 1.007 nan 8.150 nan 0.000 0.504 326 W N -0.858 120.251 121.300 -0.318 0.000 2.374 326 W HA -0.037 4.623 4.660 -0.000 0.000 0.288 326 W C -0.282 176.253 176.519 0.026 0.000 1.218 326 W CA 2.408 59.576 57.345 -0.296 0.000 1.245 326 W CB -0.061 29.183 29.460 -0.359 0.000 1.126 326 W HN 0.687 nan 8.180 nan 0.000 0.545 327 Y N -3.540 116.838 120.300 0.130 0.000 2.741 327 Y HA 0.482 5.032 4.550 -0.000 0.000 0.339 327 Y C -1.060 174.924 175.900 0.141 0.000 1.226 327 Y CA -1.516 56.652 58.100 0.113 0.000 1.072 327 Y CB 0.329 38.866 38.460 0.127 0.000 1.331 327 Y HN -0.431 nan 8.280 nan 0.000 0.453 328 T N 1.485 116.320 114.554 0.468 0.000 2.863 328 T HA 0.892 5.242 4.350 -0.000 0.000 0.285 328 T C -0.961 174.112 174.700 0.622 0.000 1.009 328 T CA -0.213 62.168 62.100 0.470 0.000 0.989 328 T CB 1.439 70.483 68.868 0.294 0.000 1.004 328 T HN 1.037 nan 8.240 nan 0.000 0.455 329 A N 2.427 125.608 122.820 0.601 0.000 2.435 329 A HA 0.932 5.252 4.320 -0.000 0.000 0.304 329 A C -1.703 176.110 177.584 0.382 0.000 1.064 329 A CA -0.970 51.372 52.037 0.509 0.000 0.727 329 A CB 1.225 20.482 19.000 0.429 0.000 1.284 329 A HN 0.980 nan 8.150 nan 0.000 0.415 330 W N 0.494 121.580 121.300 -0.356 0.000 3.137 330 W HA 0.777 5.437 4.660 -0.000 0.000 0.324 330 W C -0.261 175.481 176.519 -1.295 0.000 1.253 330 W CA -0.342 56.453 57.345 -0.917 0.000 1.183 330 W CB 0.833 30.075 29.460 -0.364 0.000 1.424 330 W HN 1.411 nan 8.180 nan 0.000 0.566 331 G N -0.036 107.575 108.800 -1.981 0.000 2.495 331 G HA2 0.724 4.684 3.960 -0.000 0.000 0.294 331 G HA3 0.724 4.684 3.960 -0.000 0.000 0.294 331 G C -1.085 172.561 174.900 -2.089 0.000 1.397 331 G CA -0.086 43.653 45.100 -2.269 0.000 0.790 331 G HN 1.640 nan 8.290 nan 0.000 0.486 332 G N -1.926 105.495 108.800 -2.299 0.000 2.495 332 G HA2 0.714 4.674 3.960 -0.000 0.000 0.294 332 G HA3 0.714 4.674 3.960 -0.000 0.000 0.294 332 G C -0.146 173.732 174.900 -1.703 0.000 1.397 332 G CA 0.423 44.602 45.100 -1.536 0.000 0.790 332 G HN 1.455 nan 8.290 nan 0.000 0.486 333 G N -1.374 106.299 108.800 -1.879 0.000 2.537 333 G HA2 0.504 4.464 3.960 -0.000 0.000 0.273 333 G HA3 0.504 4.464 3.960 -0.000 0.000 0.273 333 G C 0.621 175.384 174.900 -0.228 0.000 1.189 333 G CA -0.518 43.908 45.100 -1.123 0.000 0.881 333 G HN 0.527 nan 8.290 nan 0.000 0.535 334 I N 0.285 120.845 120.570 -0.017 0.000 2.810 334 I HA 0.122 4.292 4.170 -0.000 0.000 0.262 334 I C 2.490 178.638 176.117 0.052 0.000 1.131 334 I CA 0.812 62.154 61.300 0.070 0.000 1.453 334 I CB 0.349 38.388 38.000 0.065 0.000 1.161 334 I HN 0.596 nan 8.210 nan 0.000 0.444 335 G N 0.520 109.364 108.800 0.074 0.000 3.088 335 G HA2 0.565 4.525 3.960 -0.000 0.000 0.217 335 G HA3 0.565 4.525 3.960 -0.000 0.000 0.217 335 G C 0.269 175.239 174.900 0.117 0.000 1.159 335 G CA 0.456 45.606 45.100 0.084 0.000 0.760 335 G HN 0.341 nan 8.290 nan 0.000 0.550 336 A N -0.058 122.854 122.820 0.153 0.000 2.572 336 A HA 0.693 5.013 4.320 -0.000 0.000 0.295 336 A C -0.352 177.339 177.584 0.179 0.000 1.072 336 A CA -0.242 51.931 52.037 0.228 0.000 0.691 336 A CB 1.247 20.476 19.000 0.381 0.000 1.291 336 A HN 0.720 nan 8.150 nan 0.000 0.404 337 S N 2.548 118.379 115.700 0.219 0.000 2.423 337 S HA 0.762 5.232 4.470 -0.000 0.000 0.317 337 S C -0.531 174.248 174.600 0.299 0.000 1.065 337 S CA -0.432 57.855 58.200 0.144 0.000 1.111 337 S CB -0.187 63.089 63.200 0.126 0.000 0.968 337 S HN 1.388 nan 8.310 nan 0.000 0.474 338 W N 1.059 122.455 121.300 0.159 0.000 3.074 338 W HA 0.798 5.457 4.660 -0.000 0.000 0.332 338 W C -1.379 175.254 176.519 0.190 0.000 1.253 338 W CA -1.242 56.200 57.345 0.162 0.000 1.180 338 W CB 1.048 30.596 29.460 0.147 0.000 1.445 338 W HN 0.882 nan 8.180 nan 0.000 0.573 339 A N 1.899 124.988 122.820 0.448 0.000 2.612 339 A HA 0.898 5.218 4.320 -0.000 0.000 0.293 339 A C -1.698 176.208 177.584 0.537 0.000 1.075 339 A CA -0.764 51.443 52.037 0.283 0.000 0.680 339 A CB 1.722 20.872 19.000 0.250 0.000 1.279 339 A HN 1.104 nan 8.150 nan 0.000 0.411 340 W N 0.703 122.214 121.300 0.352 0.000 3.075 340 W HA 0.820 5.480 4.660 -0.000 0.000 0.334 340 W C -1.603 175.145 176.519 0.382 0.000 1.243 340 W CA -0.711 56.888 57.345 0.423 0.000 1.170 340 W CB 1.355 31.012 29.460 0.328 0.000 1.452 340 W HN 0.962 nan 8.180 nan 0.000 0.572 341 K N 2.385 123.220 120.400 0.727 0.000 2.543 341 K HA 0.568 4.888 4.320 -0.000 0.000 0.255 341 K C -1.482 175.513 176.600 0.658 0.000 0.934 341 K CA -0.552 56.016 56.287 0.467 0.000 0.810 341 K CB 2.701 35.288 32.500 0.145 0.000 1.315 341 K HN 0.648 nan 8.250 nan 0.000 0.433 342 I N 0.013 120.901 120.570 0.529 0.000 2.785 342 I HA 0.692 4.862 4.170 -0.000 0.000 0.302 342 I C 0.120 176.301 176.117 0.106 0.000 1.069 342 I CA -0.827 60.621 61.300 0.247 0.000 1.045 342 I CB 2.158 40.254 38.000 0.160 0.000 1.236 342 I HN 0.656 nan 8.210 nan 0.000 0.429 343 G N 2.204 110.885 108.800 -0.197 0.000 2.714 343 G HA2 0.513 4.473 3.960 -0.000 0.000 0.197 343 G HA3 0.513 4.473 3.960 -0.000 0.000 0.197 343 G C -1.131 173.601 174.900 -0.280 0.000 1.449 343 G CA -0.494 44.501 45.100 -0.176 0.000 1.065 343 G HN 0.844 nan 8.290 nan 0.000 0.575 344 C N -1.596 117.497 119.300 -0.345 0.000 2.880 344 C HA 0.645 5.105 4.460 -0.000 0.000 0.320 344 C C 1.307 176.074 174.990 -0.372 0.000 1.176 344 C CA -0.256 58.419 59.018 -0.573 0.000 1.390 344 C CB 1.123 28.265 27.740 -0.997 0.000 1.846 344 C HN 0.555 nan 8.230 nan 0.000 0.478 345 S N 1.939 117.307 115.700 -0.554 0.000 2.558 345 S HA 0.146 4.616 4.470 -0.000 0.000 0.217 345 S C 0.198 174.535 174.600 -0.439 0.000 0.975 345 S CA 0.301 58.252 58.200 -0.416 0.000 0.912 345 S CB -0.330 62.628 63.200 -0.403 0.000 0.776 345 S HN 0.807 nan 8.310 nan 0.000 0.526 346 H N 1.027 119.919 119.070 -0.297 0.000 2.469 346 H HA 0.730 5.286 4.556 -0.000 0.000 0.342 346 H C -0.335 174.817 175.328 -0.293 0.000 1.115 346 H CA -0.979 54.883 56.048 -0.309 0.000 1.204 346 H CB 1.269 30.810 29.762 -0.368 0.000 1.492 346 H HN 0.136 nan 8.280 nan 0.000 0.499 347 A N 2.877 125.616 122.820 -0.135 0.000 2.371 347 A HA 0.403 4.722 4.320 -0.000 0.000 0.311 347 A C -1.205 176.421 177.584 0.070 0.000 1.068 347 A CA -0.609 51.355 52.037 -0.121 0.000 0.744 347 A CB 1.701 20.465 19.000 -0.392 0.000 1.239 347 A HN 0.762 nan 8.150 nan 0.000 0.435 348 H N 2.775 121.845 119.070 -0.000 0.000 2.529 348 H HA 0.357 4.913 4.556 -0.000 0.000 0.348 348 H C 0.627 175.957 175.328 0.003 0.000 1.079 348 H CA -0.958 55.062 56.048 -0.046 0.000 1.198 348 H CB 1.145 30.801 29.762 -0.177 0.000 1.521 348 H HN 0.704 nan 8.280 nan 0.000 0.514 349 F N 3.381 123.416 119.950 0.142 0.000 2.192 349 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 349 F C 1.715 177.550 175.800 0.059 0.000 1.079 349 F CA 1.589 59.543 58.000 -0.075 0.000 1.303 349 F CB -0.636 38.088 39.000 -0.460 0.000 1.024 349 F HN 0.522 nan 8.300 nan 0.000 0.494 350 G N -1.437 106.787 108.800 -0.960 0.000 2.559 350 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.216 350 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.216 350 G C 0.934 175.735 174.900 -0.166 0.000 1.126 350 G CA 0.486 45.045 45.100 -0.902 0.000 0.778 350 G HN 0.500 nan 8.290 nan 0.000 0.543 351 Y N 0.270 120.365 120.300 -0.342 0.000 2.462 351 Y HA 0.246 4.796 4.550 -0.000 0.000 0.261 351 Y C 1.131 177.000 175.900 -0.052 0.000 1.146 351 Y CA -0.649 57.336 58.100 -0.192 0.000 1.283 351 Y CB 0.221 38.539 38.460 -0.237 0.000 1.090 351 Y HN 0.104 nan 8.280 nan 0.000 0.526 352 Q N 0.898 120.775 119.800 0.130 0.000 2.352 352 Q HA 0.108 4.448 4.340 -0.000 0.000 0.260 352 Q C -0.210 175.934 176.000 0.240 0.000 0.976 352 Q CA 0.153 56.067 55.803 0.185 0.000 0.881 352 Q CB 0.732 29.568 28.738 0.165 0.000 1.235 352 Q HN 0.121 nan 8.270 nan 0.000 0.419 353 N N 2.454 121.289 118.700 0.225 0.000 2.707 353 N HA 0.214 4.953 4.740 -0.000 0.000 0.249 353 N C -2.366 173.250 175.510 0.177 0.000 1.299 353 N CA -1.676 51.481 53.050 0.179 0.000 0.769 353 N CB 1.082 39.611 38.487 0.071 0.000 1.236 353 N HN 0.075 nan 8.380 nan 0.000 0.524 354 P HA -0.035 nan 4.420 nan 0.000 0.226 354 P C 1.242 178.555 177.300 0.022 0.000 1.153 354 P CA 0.435 63.601 63.100 0.110 0.000 0.777 354 P CB 0.117 31.796 31.700 -0.035 0.000 0.794 355 F N 1.517 121.440 119.950 -0.045 0.000 2.074 355 F HA -0.122 4.405 4.527 -0.000 0.000 0.293 355 F C 2.471 178.205 175.800 -0.110 0.000 1.116 355 F CA 1.455 59.429 58.000 -0.044 0.000 1.212 355 F CB -0.811 38.161 39.000 -0.045 0.000 0.998 355 F HN -0.192 nan 8.300 nan 0.000 0.471 356 Q N 0.947 120.637 119.800 -0.185 0.000 2.152 356 Q HA -0.158 4.181 4.340 -0.000 0.000 0.206 356 Q C 2.279 177.950 176.000 -0.549 0.000 0.985 356 Q CA 1.924 57.482 55.803 -0.408 0.000 0.863 356 Q CB -1.089 27.497 28.738 -0.254 0.000 0.904 356 Q HN 0.570 nan 8.270 nan 0.000 0.422 357 G N 0.024 108.639 108.800 -0.309 0.000 2.459 357 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 357 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 357 G C 1.144 175.906 174.900 -0.230 0.000 1.183 357 G CA 0.790 45.796 45.100 -0.157 0.000 0.776 357 G HN 0.616 nan 8.290 nan 0.000 0.552 358 W N 1.051 121.942 121.300 -0.682 0.000 2.342 358 W HA -0.110 4.549 4.660 -0.000 0.000 0.297 358 W C 2.404 178.473 176.519 -0.750 0.000 1.213 358 W CA 1.844 58.571 57.345 -1.030 0.000 1.251 358 W CB -0.285 28.597 29.460 -0.963 0.000 1.136 358 W HN 0.046 nan 8.180 nan 0.000 0.526 359 V N 1.205 120.610 119.914 -0.850 0.000 2.261 359 V HA -0.351 3.769 4.120 -0.000 0.000 0.246 359 V C 2.601 178.226 176.094 -0.781 0.000 1.047 359 V CA 2.665 64.324 62.300 -1.068 0.000 1.015 359 V CB -1.424 29.712 31.823 -1.145 0.000 0.642 359 V HN 0.402 nan 8.190 nan 0.000 0.446 360 S N 0.629 115.917 115.700 -0.686 0.000 2.453 360 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 360 S C 1.991 176.419 174.600 -0.287 0.000 1.005 360 S CA 1.029 58.929 58.200 -0.500 0.000 0.949 360 S CB -0.315 62.450 63.200 -0.725 0.000 0.774 360 S HN 0.548 nan 8.310 nan 0.000 0.510 361 A N 1.968 124.637 122.820 -0.251 0.000 1.929 361 A HA 0.049 4.368 4.320 -0.000 0.000 0.216 361 A C 2.441 179.906 177.584 -0.198 0.000 1.176 361 A CA 1.803 53.814 52.037 -0.044 0.000 0.628 361 A CB -0.902 18.230 19.000 0.221 0.000 0.816 361 A HN 0.739 nan 8.150 nan 0.000 0.444 362 T N -4.843 109.407 114.554 -0.508 0.000 2.964 362 T HA 0.157 4.507 4.350 -0.000 0.000 0.249 362 T C 0.460 174.875 174.700 -0.476 0.000 1.000 362 T CA -0.253 61.531 62.100 -0.527 0.000 0.992 362 T CB 0.007 68.377 68.868 -0.830 0.000 1.087 362 T HN 0.166 nan 8.240 nan 0.000 0.489 363 Q N 2.065 121.546 119.800 -0.532 0.000 2.294 363 Q HA 0.404 4.744 4.340 -0.000 0.000 0.257 363 Q C 1.140 177.060 176.000 -0.132 0.000 0.955 363 Q CA -0.053 55.562 55.803 -0.313 0.000 0.936 363 Q CB 1.683 30.270 28.738 -0.253 0.000 1.188 363 Q HN 0.340 nan 8.270 nan 0.000 0.420 364 S N 3.121 118.753 115.700 -0.113 0.000 2.365 364 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 364 S C 0.818 175.354 174.600 -0.108 0.000 1.039 364 S CA 1.892 60.034 58.200 -0.097 0.000 1.033 364 S CB 0.196 63.341 63.200 -0.093 0.000 0.887 364 S HN 0.542 nan 8.310 nan 0.000 0.447 365 D N -0.126 120.200 120.400 -0.123 0.000 2.264 365 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 365 D C 0.762 176.804 176.300 -0.430 0.000 0.966 365 D CA 0.849 54.676 54.000 -0.289 0.000 0.864 365 D CB -0.244 40.326 40.800 -0.383 0.000 0.933 365 D HN 0.527 nan 8.370 nan 0.000 0.499 366 F N 0.394 120.228 119.950 -0.192 0.000 2.647 366 F HA 0.365 4.892 4.527 -0.000 0.000 0.300 366 F C 0.878 176.575 175.800 -0.171 0.000 1.106 366 F CA -0.614 57.269 58.000 -0.196 0.000 1.313 366 F CB 0.043 38.894 39.000 -0.248 0.000 1.007 366 F HN -0.248 nan 8.300 nan 0.000 0.536 367 A N 1.463 124.267 122.820 -0.027 0.000 2.524 367 A HA 0.319 4.639 4.320 -0.000 0.000 0.250 367 A C -2.115 175.471 177.584 0.003 0.000 1.078 367 A CA -1.174 50.848 52.037 -0.026 0.000 0.761 367 A CB -0.541 18.430 19.000 -0.049 0.000 1.012 367 A HN 0.009 nan 8.150 nan 0.000 0.500 368 P HA -0.024 nan 4.420 nan 0.000 0.261 368 P C 0.646 177.973 177.300 0.043 0.000 1.173 368 P CA 0.225 63.385 63.100 0.100 0.000 0.760 368 P CB 0.521 32.312 31.700 0.151 0.000 0.783 369 K N 1.870 122.302 120.400 0.054 0.000 2.365 369 K HA -0.021 4.298 4.320 -0.000 0.000 0.199 369 K C 0.655 177.147 176.600 -0.179 0.000 1.045 369 K CA 0.431 56.671 56.287 -0.079 0.000 0.962 369 K CB 0.055 32.485 32.500 -0.118 0.000 0.759 369 K HN 0.636 nan 8.250 nan 0.000 0.469 370 S N -0.406 115.210 115.700 -0.139 0.000 2.614 370 S HA 0.026 4.496 4.470 -0.000 0.000 0.265 370 S C 1.084 175.643 174.600 -0.068 0.000 1.303 370 S CA -0.157 57.953 58.200 -0.150 0.000 1.000 370 S CB 1.645 64.781 63.200 -0.107 0.000 0.935 370 S HN 0.236 nan 8.310 nan 0.000 0.551 371 S N 1.061 116.723 115.700 -0.065 0.000 2.461 371 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 371 S C 0.916 175.512 174.600 -0.007 0.000 1.005 371 S CA 0.435 58.613 58.200 -0.037 0.000 0.942 371 S CB -0.584 62.592 63.200 -0.039 0.000 0.776 371 S HN 0.748 nan 8.310 nan 0.000 0.514 372 N N 0.929 119.637 118.700 0.014 0.000 2.220 372 N HA 0.236 4.976 4.740 -0.000 0.000 0.195 372 N C 1.643 177.190 175.510 0.061 0.000 1.123 372 N CA 0.697 53.769 53.050 0.035 0.000 0.874 372 N CB -0.181 38.348 38.487 0.070 0.000 0.995 372 N HN 0.519 nan 8.380 nan 0.000 0.498 373 G N 1.763 110.614 108.800 0.084 0.000 2.476 373 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 373 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 373 G C 1.536 176.575 174.900 0.231 0.000 1.164 373 G CA 0.929 46.130 45.100 0.168 0.000 0.768 373 G HN 0.301 nan 8.290 nan 0.000 0.560 374 K N 0.353 120.846 120.400 0.154 0.000 2.026 374 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 374 K C 2.548 179.216 176.600 0.115 0.000 1.048 374 K CA 1.190 57.561 56.287 0.140 0.000 0.929 374 K CB -0.231 32.304 32.500 0.057 0.000 0.713 374 K HN 0.271 nan 8.250 nan 0.000 0.439 375 R N 0.635 121.163 120.500 0.047 0.000 2.070 375 R HA -0.166 4.174 4.340 -0.000 0.000 0.233 375 R C 1.442 177.719 176.300 -0.038 0.000 1.137 375 R CA 2.225 58.317 56.100 -0.012 0.000 0.945 375 R CB -0.356 29.911 30.300 -0.054 0.000 0.845 375 R HN 0.237 nan 8.270 nan 0.000 0.430 376 D N -0.244 120.138 120.400 -0.030 0.000 2.104 376 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 376 D C 1.707 177.938 176.300 -0.115 0.000 0.994 376 D CA 1.334 55.291 54.000 -0.071 0.000 0.830 376 D CB -0.556 40.225 40.800 -0.032 0.000 0.959 376 D HN 0.388 nan 8.370 nan 0.000 0.452 377 W N 1.099 122.435 121.300 0.060 0.000 2.374 377 W HA -0.133 4.526 4.660 -0.000 0.000 0.288 377 W C 2.567 179.150 176.519 0.108 0.000 1.218 377 W CA 1.172 58.566 57.345 0.082 0.000 1.245 377 W CB -0.456 29.042 29.460 0.064 0.000 1.126 377 W HN -0.080 nan 8.180 nan 0.000 0.545 378 T N -0.700 114.006 114.554 0.252 0.000 2.746 378 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 378 T C 1.598 176.200 174.700 -0.163 0.000 1.039 378 T CA 1.978 64.156 62.100 0.130 0.000 1.142 378 T CB -0.626 68.275 68.868 0.056 0.000 0.866 378 T HN 0.077 nan 8.240 nan 0.000 0.444 379 T N 1.223 115.637 114.554 -0.232 0.000 2.737 379 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 379 T C 2.333 176.789 174.700 -0.407 0.000 1.038 379 T CA 1.393 63.216 62.100 -0.461 0.000 1.144 379 T CB -0.424 67.968 68.868 -0.794 0.000 0.866 379 T HN 0.351 nan 8.240 nan 0.000 0.434 380 S N 0.759 116.334 115.700 -0.207 0.000 2.348 380 S HA -0.159 4.310 4.470 -0.000 0.000 0.221 380 S C 2.062 176.710 174.600 0.080 0.000 1.033 380 S CA 1.822 59.995 58.200 -0.045 0.000 1.010 380 S CB -0.638 62.511 63.200 -0.086 0.000 0.891 380 S HN 0.736 nan 8.310 nan 0.000 0.442 381 Y N 1.165 121.563 120.300 0.163 0.000 2.207 381 Y HA -0.005 4.544 4.550 -0.000 0.000 0.287 381 Y C 1.948 177.863 175.900 0.024 0.000 1.156 381 Y CA 1.649 59.826 58.100 0.128 0.000 1.182 381 Y CB -0.458 38.093 38.460 0.152 0.000 0.979 381 Y HN 0.173 nan 8.280 nan 0.000 0.521 382 K N 0.034 120.095 120.400 -0.565 0.000 2.148 382 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 382 K C 2.205 178.721 176.600 -0.139 0.000 1.050 382 K CA 1.226 57.274 56.287 -0.398 0.000 0.942 382 K CB -0.159 32.062 32.500 -0.465 0.000 0.724 382 K HN 0.160 nan 8.250 nan 0.000 0.446 383 R N 1.824 122.233 120.500 -0.150 0.000 2.075 383 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 383 R C 1.963 178.315 176.300 0.086 0.000 1.126 383 R CA 1.592 57.636 56.100 -0.093 0.000 0.963 383 R CB -0.223 29.958 30.300 -0.198 0.000 0.858 383 R HN 0.218 nan 8.270 nan 0.000 0.435 384 Q N -0.053 119.807 119.800 0.101 0.000 2.061 384 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 384 Q C 2.160 178.367 176.000 0.344 0.000 0.984 384 Q CA 1.913 57.843 55.803 0.212 0.000 0.846 384 Q CB -0.256 28.638 28.738 0.260 0.000 0.902 384 Q HN 0.338 nan 8.270 nan 0.000 0.421 385 L N 0.655 122.008 121.223 0.217 0.000 2.042 385 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 385 L C 2.196 179.169 176.870 0.172 0.000 1.076 385 L CA 1.315 56.251 54.840 0.159 0.000 0.749 385 L CB -0.448 41.606 42.059 -0.009 0.000 0.893 385 L HN 0.264 nan 8.230 nan 0.000 0.432 386 E N -0.637 119.656 120.200 0.155 0.000 2.150 386 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 386 E C 2.016 178.554 176.600 -0.103 0.000 0.985 386 E CA 0.900 57.342 56.400 0.069 0.000 0.814 386 E CB -0.086 29.745 29.700 0.218 0.000 0.752 386 E HN 0.331 nan 8.360 nan 0.000 0.466 387 F N 0.679 120.484 119.950 -0.241 0.000 2.102 387 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 387 F C 1.733 177.320 175.800 -0.355 0.000 1.105 387 F CA 1.389 58.996 58.000 -0.655 0.000 1.239 387 F CB -0.562 38.117 39.000 -0.535 0.000 0.991 387 F HN -0.003 nan 8.300 nan 0.000 0.474 388 Y N 0.657 120.847 120.300 -0.184 0.000 2.114 388 Y HA -0.335 4.214 4.550 -0.000 0.000 0.282 388 Y C 2.668 178.363 175.900 -0.341 0.000 1.165 388 Y CA 2.189 60.123 58.100 -0.276 0.000 1.148 388 Y CB -0.960 37.404 38.460 -0.159 0.000 0.972 388 Y HN 0.182 nan 8.280 nan 0.000 0.504 389 Q N -1.752 117.991 119.800 -0.095 0.000 2.124 389 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 389 Q C 2.023 177.959 176.000 -0.106 0.000 0.977 389 Q CA 1.615 57.319 55.803 -0.164 0.000 0.850 389 Q CB -0.585 28.142 28.738 -0.018 0.000 0.901 389 Q HN 0.686 nan 8.270 nan 0.000 0.429 390 W N 0.996 122.047 121.300 -0.415 0.000 2.402 390 W HA -0.087 4.573 4.660 -0.000 0.000 0.286 390 W C 1.046 177.428 176.519 -0.228 0.000 1.221 390 W CA 1.015 58.229 57.345 -0.219 0.000 1.257 390 W CB 0.009 29.212 29.460 -0.428 0.000 1.120 390 W HN 0.015 nan 8.180 nan 0.000 0.551 391 L N 0.713 121.584 121.223 -0.587 0.000 2.591 391 L HA 0.093 4.433 4.340 -0.000 0.000 0.228 391 L C 1.231 177.768 176.870 -0.556 0.000 1.133 391 L CA 0.081 54.423 54.840 -0.829 0.000 0.880 391 L CB -0.618 40.866 42.059 -0.959 0.000 1.033 391 L HN -0.135 nan 8.230 nan 0.000 0.450 392 Q N 1.581 121.170 119.800 -0.352 0.000 2.281 392 Q HA 0.101 4.441 4.340 -0.000 0.000 0.267 392 Q C 0.430 176.388 176.000 -0.070 0.000 1.053 392 Q CA -0.317 55.341 55.803 -0.242 0.000 0.905 392 Q CB 0.782 29.309 28.738 -0.351 0.000 1.195 392 Q HN 0.367 nan 8.270 nan 0.000 0.398 393 S N 2.937 118.571 115.700 -0.111 0.000 2.596 393 S HA 0.212 4.682 4.470 -0.000 0.000 0.260 393 S C 1.249 175.816 174.600 -0.055 0.000 1.336 393 S CA -0.224 57.920 58.200 -0.093 0.000 0.993 393 S CB 1.060 64.213 63.200 -0.080 0.000 0.923 393 S HN 0.777 nan 8.310 nan 0.000 0.567 394 A N 0.898 123.654 122.820 -0.108 0.000 1.927 394 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 394 A C 2.019 179.603 177.584 0.001 0.000 1.185 394 A CA 2.161 54.171 52.037 -0.045 0.000 0.639 394 A CB -1.189 17.772 19.000 -0.065 0.000 0.820 394 A HN 0.893 nan 8.150 nan 0.000 0.451 395 E N -2.232 117.932 120.200 -0.060 0.000 2.112 395 E HA 0.283 4.633 4.350 -0.000 0.000 0.190 395 E C 1.566 178.060 176.600 -0.178 0.000 0.979 395 E CA 1.255 57.609 56.400 -0.075 0.000 0.814 395 E CB -0.117 29.521 29.700 -0.102 0.000 0.762 395 E HN 0.745 nan 8.360 nan 0.000 0.460 396 G N -0.776 107.794 108.800 -0.383 0.000 3.033 396 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.208 396 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.208 396 G C 0.613 175.250 174.900 -0.438 0.000 1.006 396 G CA -0.342 44.591 45.100 -0.279 0.000 0.808 396 G HN 0.503 nan 8.290 nan 0.000 0.499 397 G N 0.818 108.894 108.800 -1.206 0.000 2.544 397 G HA2 0.479 4.439 3.960 -0.000 0.000 0.242 397 G HA3 0.479 4.439 3.960 -0.000 0.000 0.242 397 G C 0.212 174.991 174.900 -0.202 0.000 1.247 397 G CA -0.214 44.330 45.100 -0.928 0.000 0.840 397 G HN 0.339 nan 8.290 nan 0.000 0.578 398 I N 1.556 122.001 120.570 -0.208 0.000 2.352 398 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 398 I C 1.104 176.673 176.117 -0.913 0.000 1.036 398 I CA -1.054 59.827 61.300 -0.700 0.000 1.336 398 I CB 0.107 37.292 38.000 -1.358 0.000 1.407 398 I HN 0.517 nan 8.210 nan 0.000 0.497 399 A N 5.138 127.385 122.820 -0.956 0.000 2.310 399 A HA 0.569 4.889 4.320 -0.000 0.000 0.260 399 A C 1.470 178.464 177.584 -0.982 0.000 1.112 399 A CA 0.257 51.466 52.037 -1.380 0.000 0.804 399 A CB -0.234 18.200 19.000 -0.942 0.000 1.081 399 A HN 0.867 nan 8.150 nan 0.000 0.499 400 G N -0.916 107.307 108.800 -0.962 0.000 2.552 400 G HA2 0.338 4.298 3.960 -0.000 0.000 0.216 400 G HA3 0.338 4.298 3.960 -0.000 0.000 0.216 400 G C 0.870 175.362 174.900 -0.679 0.000 1.240 400 G CA 1.618 46.213 45.100 -0.842 0.000 0.796 400 G HN 2.008 nan 8.290 nan 0.000 0.568 401 G N -1.915 106.550 108.800 -0.558 0.000 2.512 401 G HA2 0.621 4.581 3.960 -0.000 0.000 0.181 401 G HA3 0.621 4.581 3.960 -0.000 0.000 0.181 401 G C -1.420 173.487 174.900 0.012 0.000 1.173 401 G CA 0.309 45.283 45.100 -0.210 0.000 0.988 401 G HN 1.526 nan 8.290 nan 0.000 0.485 402 A N -1.715 121.217 122.820 0.187 0.000 2.610 402 A HA 0.932 5.252 4.320 -0.000 0.000 0.291 402 A C -0.763 176.859 177.584 0.064 0.000 1.086 402 A CA 0.512 52.684 52.037 0.226 0.000 0.677 402 A CB 1.503 20.819 19.000 0.528 0.000 1.278 402 A HN 1.847 nan 8.150 nan 0.000 0.414 403 T N -0.729 113.869 114.554 0.074 0.000 2.909 403 T HA 0.474 4.823 4.350 -0.000 0.000 0.299 403 T C 0.007 174.803 174.700 0.161 0.000 1.073 403 T CA -0.265 61.889 62.100 0.091 0.000 0.999 403 T CB 1.544 70.475 68.868 0.106 0.000 1.098 403 T HN 0.691 nan 8.240 nan 0.000 0.477 404 N N 1.575 120.367 118.700 0.154 0.000 2.280 404 N HA 0.215 4.955 4.740 -0.000 0.000 0.192 404 N C -0.369 175.310 175.510 0.282 0.000 1.109 404 N CA -0.026 53.192 53.050 0.280 0.000 0.855 404 N CB 0.530 39.167 38.487 0.251 0.000 0.974 404 N HN 0.336 nan 8.380 nan 0.000 0.482 405 S N 0.336 116.096 115.700 0.100 0.000 2.389 405 S HA 0.141 4.611 4.470 -0.000 0.000 0.201 405 S C -1.392 173.236 174.600 0.046 0.000 1.422 405 S CA -0.750 57.343 58.200 -0.178 0.000 1.216 405 S CB -0.312 62.451 63.200 -0.728 0.000 1.130 405 S HN 0.292 nan 8.310 nan 0.000 0.465 406 W N 4.654 126.003 121.300 0.081 0.000 2.322 406 W HA 0.094 4.753 4.660 -0.000 0.000 0.328 406 W C 0.061 176.577 176.519 -0.004 0.000 1.395 406 W CA 0.530 57.917 57.345 0.070 0.000 1.267 406 W CB 0.017 29.601 29.460 0.207 0.000 1.259 406 W HN 0.855 nan 8.180 nan 0.000 0.560 407 N N 3.008 121.393 118.700 -0.525 0.000 2.753 407 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 407 N C 0.866 176.247 175.510 -0.215 0.000 1.097 407 N CA 1.967 54.807 53.050 -0.350 0.000 0.786 407 N CB -1.577 36.825 38.487 -0.143 0.000 1.137 407 N HN 0.895 nan 8.380 nan 0.000 0.566 408 G N -0.422 108.276 108.800 -0.170 0.000 2.179 408 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.257 408 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.257 408 G C 0.641 175.442 174.900 -0.166 0.000 1.010 408 G CA 0.829 45.847 45.100 -0.137 0.000 0.736 408 G HN 0.607 nan 8.290 nan 0.000 0.513 409 R N -1.530 118.900 120.500 -0.117 0.000 2.569 409 R HA 0.309 4.649 4.340 -0.000 0.000 0.422 409 R C 0.270 176.674 176.300 0.172 0.000 0.980 409 R CA -0.423 55.713 56.100 0.060 0.000 1.164 409 R CB 0.526 30.851 30.300 0.040 0.000 1.520 409 R HN 0.444 nan 8.270 nan 0.000 0.567 410 Y N 0.755 121.158 120.300 0.171 0.000 3.389 410 Y HA -0.288 4.262 4.550 -0.000 0.000 0.213 410 Y C -0.012 175.961 175.900 0.123 0.000 1.272 410 Y CA 0.375 58.561 58.100 0.144 0.000 1.444 410 Y CB -2.270 36.227 38.460 0.061 0.000 1.445 410 Y HN 0.232 nan 8.280 nan 0.000 0.583 411 E N 0.617 120.978 120.200 0.267 0.000 2.374 411 E HA 0.187 4.537 4.350 -0.000 0.000 0.260 411 E C 0.320 177.029 176.600 0.182 0.000 1.101 411 E CA -1.000 55.537 56.400 0.229 0.000 0.907 411 E CB 0.478 30.357 29.700 0.298 0.000 1.014 411 E HN -0.025 nan 8.360 nan 0.000 0.427 412 K N 1.913 122.349 120.400 0.061 0.000 2.484 412 K HA 0.010 4.330 4.320 -0.000 0.000 0.280 412 K C -0.513 176.052 176.600 -0.058 0.000 1.013 412 K CA 0.319 56.573 56.287 -0.054 0.000 1.029 412 K CB -0.063 32.404 32.500 -0.054 0.000 0.902 412 K HN 0.337 nan 8.250 nan 0.000 0.481 413 Y N 2.289 122.461 120.300 -0.215 0.000 2.717 413 Y HA 0.005 4.555 4.550 -0.000 0.000 0.330 413 Y C -1.496 174.119 175.900 -0.475 0.000 1.217 413 Y CA -2.293 55.507 58.100 -0.500 0.000 1.506 413 Y CB -1.111 37.169 38.460 -0.299 0.000 1.268 413 Y HN 0.430 nan 8.280 nan 0.000 0.561 414 P HA 0.079 nan 4.420 nan 0.000 0.267 414 P C -0.617 176.594 177.300 -0.149 0.000 1.201 414 P CA -0.091 62.837 63.100 -0.286 0.000 0.775 414 P CB 0.535 32.041 31.700 -0.322 0.000 0.854 415 A N 2.496 125.272 122.820 -0.072 0.000 2.587 415 A HA 0.350 4.670 4.320 -0.000 0.000 0.235 415 A C 1.566 179.135 177.584 -0.024 0.000 1.044 415 A CA 0.824 52.842 52.037 -0.032 0.000 0.754 415 A CB -1.449 17.543 19.000 -0.013 0.000 0.968 415 A HN 0.938 nan 8.150 nan 0.000 0.509 416 G N 2.082 110.881 108.800 -0.003 0.000 2.162 416 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.260 416 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.260 416 G C 0.423 175.336 174.900 0.023 0.000 0.976 416 G CA 0.563 45.671 45.100 0.014 0.000 0.655 416 G HN 1.286 nan 8.290 nan 0.000 0.533 417 T N 1.401 115.955 114.554 -0.001 0.000 2.853 417 T HA 0.431 4.781 4.350 -0.000 0.000 0.298 417 T C 0.783 175.539 174.700 0.094 0.000 0.978 417 T CA 0.890 62.992 62.100 0.002 0.000 1.152 417 T CB 1.366 70.138 68.868 -0.160 0.000 0.914 417 T HN 0.606 nan 8.240 nan 0.000 0.539 418 S N 3.057 118.855 115.700 0.164 0.000 2.564 418 S HA 0.439 4.909 4.470 -0.000 0.000 0.278 418 S C 0.410 175.240 174.600 0.383 0.000 1.333 418 S CA -0.657 57.699 58.200 0.260 0.000 1.048 418 S CB 0.151 63.490 63.200 0.232 0.000 0.900 418 S HN 0.871 nan 8.310 nan 0.000 0.505 419 T N 1.779 116.541 114.554 0.348 0.000 2.916 419 T HA 0.707 5.057 4.350 -0.000 0.000 0.292 419 T C -1.088 173.575 174.700 -0.062 0.000 1.064 419 T CA -0.756 61.477 62.100 0.222 0.000 1.011 419 T CB 1.342 70.313 68.868 0.172 0.000 1.152 419 T HN 0.549 nan 8.240 nan 0.000 0.510 420 F N 2.184 121.838 119.950 -0.494 0.000 2.745 420 F HA 0.456 4.983 4.527 -0.000 0.000 0.343 420 F C -0.972 174.772 175.800 -0.093 0.000 1.196 420 F CA -1.150 56.431 58.000 -0.699 0.000 1.021 420 F CB 0.699 38.745 39.000 -1.590 0.000 1.297 420 F HN 0.807 nan 8.300 nan 0.000 0.486 421 Y N 4.427 124.425 120.300 -0.503 0.000 3.305 421 Y HA -0.161 4.389 4.550 -0.000 0.000 0.212 421 Y C 1.440 177.280 175.900 -0.100 0.000 1.248 421 Y CA 1.346 59.242 58.100 -0.339 0.000 1.359 421 Y CB -1.165 36.982 38.460 -0.522 0.000 1.407 421 Y HN 1.190 nan 8.280 nan 0.000 0.572 422 G N -1.521 107.316 108.800 0.062 0.000 2.205 422 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.261 422 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.261 422 G C 0.343 175.429 174.900 0.309 0.000 0.980 422 G CA 0.295 45.495 45.100 0.166 0.000 0.632 422 G HN 0.423 nan 8.290 nan 0.000 0.533 423 M N 1.016 120.765 119.600 0.249 0.000 2.314 423 M HA 0.615 5.095 4.480 -0.000 0.000 0.342 423 M C 0.616 176.995 176.300 0.132 0.000 1.171 423 M CA -0.053 55.400 55.300 0.255 0.000 1.098 423 M CB 1.721 34.457 32.600 0.226 0.000 1.559 423 M HN 0.386 nan 8.290 nan 0.000 0.459 424 A N 2.384 125.122 122.820 -0.137 0.000 2.328 424 A HA 0.285 4.605 4.320 -0.000 0.000 0.284 424 A C -0.947 176.759 177.584 0.203 0.000 1.160 424 A CA -0.408 51.473 52.037 -0.261 0.000 0.818 424 A CB 0.047 18.507 19.000 -0.899 0.000 1.087 424 A HN 0.744 nan 8.150 nan 0.000 0.504 425 Y N 3.463 123.934 120.300 0.284 0.000 2.717 425 Y HA 0.309 4.859 4.550 -0.000 0.000 0.330 425 Y C 0.093 176.066 175.900 0.121 0.000 1.217 425 Y CA 0.568 58.828 58.100 0.267 0.000 1.506 425 Y CB 0.487 39.032 38.460 0.142 0.000 1.268 425 Y HN 0.765 nan 8.280 nan 0.000 0.561 426 V N 6.574 125.987 119.914 -0.835 0.000 2.525 426 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 426 V C -2.359 172.993 176.094 -1.236 0.000 1.034 426 V CA -2.109 59.681 62.300 -0.851 0.000 0.863 426 V CB 1.788 33.282 31.823 -0.549 0.000 0.999 426 V HN 0.625 nan 8.190 nan 0.000 0.423 427 P HA -0.101 nan 4.420 nan 0.000 0.216 427 P C 0.288 176.977 177.300 -1.017 0.000 1.150 427 P CA 1.470 64.010 63.100 -0.933 0.000 0.837 427 P CB -0.015 31.415 31.700 -0.451 0.000 0.786 428 H N -1.422 117.378 119.070 -0.448 0.000 2.448 428 H HA 0.335 4.891 4.556 -0.000 0.000 0.237 428 H C -2.412 172.650 175.328 -0.444 0.000 1.391 428 H CA -2.293 53.544 56.048 -0.352 0.000 1.477 428 H CB 0.443 30.102 29.762 -0.172 0.000 1.520 428 H HN 0.086 nan 8.280 nan 0.000 0.502 429 P HA -0.097 nan 4.420 nan 0.000 0.264 429 P C 1.112 177.982 177.300 -0.716 0.000 1.183 429 P CA 0.555 63.324 63.100 -0.552 0.000 0.763 429 P CB 1.187 32.612 31.700 -0.457 0.000 0.807 430 V N 1.217 120.588 119.914 -0.904 0.000 0.508 430 V HA -0.313 3.807 4.120 -0.000 0.000 0.092 430 V C 0.118 175.608 176.094 -1.007 0.000 2.282 430 V CA 1.664 63.254 62.300 -1.183 0.000 3.591 430 V CB -2.112 28.571 31.823 -1.900 0.000 0.878 430 V HN 0.451 nan 8.190 nan 0.000 0.919 431 Y N -1.064 118.908 120.300 -0.546 0.000 2.409 431 Y HA 0.826 5.376 4.550 -0.000 0.000 0.343 431 Y C 0.440 176.210 175.900 -0.217 0.000 0.973 431 Y CA -0.556 57.335 58.100 -0.347 0.000 1.064 431 Y CB 1.882 40.138 38.460 -0.340 0.000 1.207 431 Y HN 0.161 nan 8.280 nan 0.000 0.452 432 A N 0.700 123.529 122.820 0.016 0.000 2.343 432 A HA 0.170 4.490 4.320 -0.000 0.000 0.223 432 A C -0.090 177.481 177.584 -0.022 0.000 1.214 432 A CA 0.378 52.388 52.037 -0.046 0.000 0.900 432 A CB 0.156 19.125 19.000 -0.051 0.000 0.942 432 A HN 0.562 nan 8.150 nan 0.000 0.507 433 D N 0.902 121.320 120.400 0.030 0.000 2.378 433 D HA 0.353 4.993 4.640 -0.000 0.000 0.265 433 D C -2.839 173.502 176.300 0.069 0.000 1.229 433 D CA -1.599 52.433 54.000 0.053 0.000 0.914 433 D CB 1.542 42.390 40.800 0.080 0.000 1.140 433 D HN 0.129 nan 8.370 nan 0.000 0.516 434 P HA 0.378 nan 4.420 nan 0.000 0.280 434 P C 0.496 177.810 177.300 0.023 0.000 1.272 434 P CA -0.483 62.653 63.100 0.061 0.000 0.819 434 P CB 0.646 32.411 31.700 0.108 0.000 1.122 435 G N 0.322 109.054 108.800 -0.113 0.000 2.178 435 G HA2 0.075 4.035 3.960 -0.000 0.000 0.244 435 G HA3 0.075 4.035 3.960 -0.000 0.000 0.244 435 G C 1.228 176.236 174.900 0.182 0.000 1.213 435 G CA 0.272 45.174 45.100 -0.330 0.000 0.912 435 G HN 0.544 nan 8.290 nan 0.000 0.474 436 S N 1.478 117.358 115.700 0.301 0.000 2.469 436 S HA -0.129 4.341 4.470 -0.000 0.000 0.238 436 S C 1.549 176.595 174.600 0.744 0.000 0.998 436 S CA 1.091 59.562 58.200 0.452 0.000 0.957 436 S CB 0.003 63.330 63.200 0.212 0.000 0.764 436 S HN 0.520 nan 8.310 nan 0.000 0.514 437 N N 0.989 120.149 118.700 0.766 0.000 2.273 437 N HA 0.199 4.939 4.740 -0.000 0.000 0.231 437 N C 1.165 177.183 175.510 0.847 0.000 1.134 437 N CA -0.104 53.355 53.050 0.680 0.000 0.856 437 N CB 0.017 38.500 38.487 -0.007 0.000 1.068 437 N HN 0.664 nan 8.380 nan 0.000 0.510 438 Q N -1.059 119.204 119.800 0.772 0.000 2.137 438 Q HA -0.049 4.290 4.340 -0.000 0.000 0.198 438 Q C -0.181 176.190 176.000 0.618 0.000 0.960 438 Q CA 0.388 56.573 55.803 0.637 0.000 0.847 438 Q CB 0.061 29.051 28.738 0.421 0.000 0.915 438 Q HN 0.378 nan 8.270 nan 0.000 0.448 439 W N 0.974 122.515 121.300 0.401 0.000 2.446 439 W HA 0.034 4.694 4.660 -0.000 0.000 0.316 439 W C 0.415 177.121 176.519 0.311 0.000 1.376 439 W CA -0.762 56.731 57.345 0.246 0.000 1.300 439 W CB 0.076 29.540 29.460 0.006 0.000 1.351 439 W HN 0.177 nan 8.180 nan 0.000 0.530 440 F N 5.071 124.961 119.950 -0.100 0.000 2.250 440 F HA -0.080 4.447 4.527 -0.000 0.000 0.301 440 F C 2.029 177.513 175.800 -0.527 0.000 1.077 440 F CA 2.284 60.203 58.000 -0.135 0.000 1.348 440 F CB -0.540 38.399 39.000 -0.101 0.000 1.040 440 F HN 0.469 nan 8.300 nan 0.000 0.509 441 G N -0.002 107.765 108.800 -1.722 0.000 2.505 441 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.220 441 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.220 441 G C 1.735 175.759 174.900 -1.460 0.000 1.145 441 G CA 1.205 44.907 45.100 -2.330 0.000 0.761 441 G HN 0.472 nan 8.290 nan 0.000 0.571 442 F N 0.681 120.143 119.950 -0.813 0.000 2.171 442 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 442 F C 3.132 178.939 175.800 0.013 0.000 1.090 442 F CA 1.085 58.926 58.000 -0.266 0.000 1.293 442 F CB -0.055 38.843 39.000 -0.169 0.000 1.013 442 F HN 0.070 nan 8.300 nan 0.000 0.486 443 Q N 0.525 120.517 119.800 0.319 0.000 2.045 443 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 443 Q C 2.539 178.719 176.000 0.300 0.000 0.991 443 Q CA 1.832 57.904 55.803 0.448 0.000 0.851 443 Q CB -1.053 27.797 28.738 0.186 0.000 0.911 443 Q HN 0.491 nan 8.270 nan 0.000 0.418 444 A N 0.232 123.057 122.820 0.008 0.000 1.841 444 A HA -0.155 4.164 4.320 -0.000 0.000 0.214 444 A C 1.853 179.642 177.584 0.341 0.000 1.195 444 A CA 1.142 53.316 52.037 0.229 0.000 0.611 444 A CB -1.092 18.008 19.000 0.167 0.000 0.835 444 A HN 0.382 nan 8.150 nan 0.000 0.443 445 W N 0.241 121.589 121.300 0.080 0.000 2.304 445 W HA -0.162 4.498 4.660 -0.000 0.000 0.315 445 W C 3.036 179.629 176.519 0.123 0.000 1.233 445 W CA 1.434 58.860 57.345 0.135 0.000 1.261 445 W CB -1.195 28.336 29.460 0.118 0.000 1.150 445 W HN 0.375 nan 8.180 nan 0.000 0.494 446 S N -1.398 114.534 115.700 0.387 0.000 2.388 446 S HA -0.070 4.400 4.470 -0.000 0.000 0.223 446 S C 1.891 176.633 174.600 0.237 0.000 1.034 446 S CA 0.947 59.346 58.200 0.331 0.000 0.963 446 S CB -0.289 63.095 63.200 0.307 0.000 0.827 446 S HN -0.104 nan 8.310 nan 0.000 0.481 447 M N 1.649 121.272 119.600 0.038 0.000 2.296 447 M HA 0.018 4.498 4.480 -0.000 0.000 0.265 447 M C 2.163 178.313 176.300 -0.250 0.000 1.064 447 M CA 0.994 56.053 55.300 -0.401 0.000 1.109 447 M CB -1.338 30.428 32.600 -1.389 0.000 1.396 447 M HN 0.436 nan 8.290 nan 0.000 0.430 448 Q N 1.016 120.799 119.800 -0.029 0.000 2.135 448 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 448 Q C 1.936 177.961 176.000 0.042 0.000 0.981 448 Q CA 1.725 57.578 55.803 0.083 0.000 0.856 448 Q CB -0.103 28.770 28.738 0.225 0.000 0.902 448 Q HN 0.474 nan 8.270 nan 0.000 0.425 449 R N -0.760 119.760 120.500 0.033 0.000 2.092 449 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 449 R C 2.438 178.751 176.300 0.021 0.000 1.119 449 R CA 1.256 57.373 56.100 0.028 0.000 0.970 449 R CB -0.257 30.095 30.300 0.086 0.000 0.864 449 R HN 0.075 nan 8.270 nan 0.000 0.440 450 V N 0.926 120.780 119.914 -0.099 0.000 2.490 450 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 450 V C 2.193 178.306 176.094 0.031 0.000 1.061 450 V CA 1.448 63.659 62.300 -0.149 0.000 1.064 450 V CB -0.358 31.188 31.823 -0.463 0.000 0.670 450 V HN 0.277 nan 8.190 nan 0.000 0.461 451 M N -0.485 119.133 119.600 0.030 0.000 2.132 451 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 451 M C 2.130 178.508 176.300 0.130 0.000 1.065 451 M CA 1.407 56.794 55.300 0.145 0.000 1.122 451 M CB -1.294 31.408 32.600 0.171 0.000 1.365 451 M HN 0.406 nan 8.290 nan 0.000 0.411 452 E N -0.805 119.411 120.200 0.025 0.000 2.153 452 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 452 E C 1.933 178.542 176.600 0.015 0.000 0.988 452 E CA 1.176 57.532 56.400 -0.074 0.000 0.811 452 E CB -0.289 29.130 29.700 -0.467 0.000 0.746 452 E HN 0.549 nan 8.360 nan 0.000 0.466 453 Y N -0.009 120.300 120.300 0.015 0.000 2.184 453 Y HA -0.277 4.272 4.550 -0.000 0.000 0.290 453 Y C 2.156 177.951 175.900 -0.175 0.000 1.129 453 Y CA 1.452 59.513 58.100 -0.066 0.000 1.144 453 Y CB -0.412 38.004 38.460 -0.073 0.000 0.995 453 Y HN 0.033 nan 8.280 nan 0.000 0.513 454 Y N 0.493 120.642 120.300 -0.253 0.000 2.181 454 Y HA -0.257 4.292 4.550 -0.000 0.000 0.288 454 Y C 2.412 178.142 175.900 -0.283 0.000 1.146 454 Y CA 1.674 59.570 58.100 -0.340 0.000 1.164 454 Y CB -0.765 37.650 38.460 -0.076 0.000 0.982 454 Y HN 0.285 nan 8.280 nan 0.000 0.515 455 L N 0.090 121.254 121.223 -0.099 0.000 1.990 455 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 455 L C 1.942 178.908 176.870 0.161 0.000 1.072 455 L CA 2.193 57.057 54.840 0.039 0.000 0.755 455 L CB -0.388 41.706 42.059 0.059 0.000 0.889 455 L HN 0.273 nan 8.230 nan 0.000 0.432 456 E N -1.031 119.132 120.200 -0.063 0.000 2.481 456 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 456 E C 1.669 178.069 176.600 -0.332 0.000 1.047 456 E CA 1.186 57.523 56.400 -0.105 0.000 0.867 456 E CB 0.227 29.773 29.700 -0.256 0.000 0.858 456 E HN 0.699 nan 8.360 nan 0.000 0.513 457 T N -5.044 109.109 114.554 -0.669 0.000 3.010 457 T HA 0.296 4.646 4.350 -0.000 0.000 0.252 457 T C 1.571 175.557 174.700 -1.191 0.000 0.963 457 T CA 0.663 62.288 62.100 -0.792 0.000 0.952 457 T CB 0.652 68.848 68.868 -1.121 0.000 1.182 457 T HN 0.110 nan 8.240 nan 0.000 0.495 458 G N 2.026 109.728 108.800 -1.830 0.000 2.143 458 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.249 458 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.249 458 G C -0.214 174.149 174.900 -0.895 0.000 0.981 458 G CA 0.160 43.798 45.100 -2.436 0.000 0.665 458 G HN 0.802 nan 8.290 nan 0.000 0.528 459 D N 1.141 121.227 120.400 -0.524 0.000 2.389 459 D HA 0.335 4.975 4.640 -0.000 0.000 0.263 459 D C 1.827 178.166 176.300 0.065 0.000 1.255 459 D CA 0.699 54.614 54.000 -0.141 0.000 0.914 459 D CB 0.570 41.362 40.800 -0.013 0.000 1.116 459 D HN 0.413 nan 8.370 nan 0.000 0.502 460 S N 1.759 117.491 115.700 0.052 0.000 2.481 460 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 460 S C 1.780 176.420 174.600 0.068 0.000 0.996 460 S CA 0.754 59.009 58.200 0.092 0.000 0.942 460 S CB -0.325 62.925 63.200 0.083 0.000 0.768 460 S HN 0.407 nan 8.310 nan 0.000 0.520 461 S N 0.402 116.154 115.700 0.086 0.000 2.507 461 S HA 0.106 4.575 4.470 -0.000 0.000 0.235 461 S C 1.409 176.053 174.600 0.073 0.000 0.988 461 S CA 0.594 58.851 58.200 0.096 0.000 0.944 461 S CB -0.316 62.958 63.200 0.125 0.000 0.762 461 S HN 0.371 nan 8.310 nan 0.000 0.526 462 V N 0.534 120.472 119.914 0.040 0.000 3.578 462 V HA 0.244 4.364 4.120 -0.000 0.000 0.290 462 V C 1.919 177.914 176.094 -0.165 0.000 1.376 462 V CA 0.247 62.531 62.300 -0.028 0.000 1.083 462 V CB -0.131 31.728 31.823 0.060 0.000 0.911 462 V HN 0.382 nan 8.190 nan 0.000 0.433 463 K N 0.419 120.711 120.400 -0.180 0.000 2.026 463 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 463 K C 1.869 178.408 176.600 -0.101 0.000 1.048 463 K CA 1.758 57.905 56.287 -0.233 0.000 0.929 463 K CB -0.136 32.297 32.500 -0.112 0.000 0.713 463 K HN 0.383 nan 8.250 nan 0.000 0.439 464 N N 1.270 119.949 118.700 -0.034 0.000 2.120 464 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 464 N C 1.720 177.203 175.510 -0.045 0.000 1.024 464 N CA 0.804 53.854 53.050 0.001 0.000 0.852 464 N CB -0.367 38.153 38.487 0.055 0.000 1.003 464 N HN 0.070 nan 8.380 nan 0.000 0.424 465 L N 1.012 122.173 121.223 -0.103 0.000 1.989 465 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 465 L C 1.939 178.760 176.870 -0.082 0.000 1.071 465 L CA 1.540 56.290 54.840 -0.150 0.000 0.749 465 L CB -0.623 41.335 42.059 -0.169 0.000 0.890 465 L HN 0.119 nan 8.230 nan 0.000 0.431 466 I N -0.692 119.808 120.570 -0.116 0.000 2.202 466 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 466 I C 2.522 178.601 176.117 -0.063 0.000 1.091 466 I CA 1.530 62.764 61.300 -0.110 0.000 1.368 466 I CB -0.298 37.579 38.000 -0.205 0.000 1.058 466 I HN 0.290 nan 8.210 nan 0.000 0.410 467 K N 0.624 120.989 120.400 -0.057 0.000 2.057 467 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 467 K C 2.168 178.793 176.600 0.042 0.000 1.049 467 K CA 1.289 57.567 56.287 -0.014 0.000 0.931 467 K CB -0.128 32.408 32.500 0.060 0.000 0.714 467 K HN 0.148 nan 8.250 nan 0.000 0.440 468 K N -0.178 120.263 120.400 0.069 0.000 2.147 468 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 468 K C 1.855 178.561 176.600 0.176 0.000 1.049 468 K CA 1.296 57.646 56.287 0.105 0.000 0.936 468 K CB -0.098 32.453 32.500 0.084 0.000 0.722 468 K HN 0.243 nan 8.250 nan 0.000 0.446 469 W N 0.444 121.750 121.300 0.010 0.000 2.409 469 W HA -0.143 4.516 4.660 -0.000 0.000 0.299 469 W C 1.576 178.179 176.519 0.141 0.000 1.203 469 W CA 0.882 58.295 57.345 0.114 0.000 1.298 469 W CB -0.185 29.305 29.460 0.050 0.000 1.127 469 W HN -0.217 nan 8.180 nan 0.000 0.528 470 V N 1.111 121.114 119.914 0.149 0.000 2.295 470 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 470 V C 2.020 178.060 176.094 -0.089 0.000 1.049 470 V CA 2.403 64.662 62.300 -0.069 0.000 1.024 470 V CB -0.995 30.672 31.823 -0.258 0.000 0.648 470 V HN 0.058 nan 8.190 nan 0.000 0.447 471 D N -1.140 119.256 120.400 -0.006 0.000 2.116 471 D HA -0.247 4.393 4.640 -0.000 0.000 0.193 471 D C 1.658 177.966 176.300 0.014 0.000 0.998 471 D CA 1.675 55.687 54.000 0.019 0.000 0.836 471 D CB -0.345 40.495 40.800 0.066 0.000 0.951 471 D HN 0.674 nan 8.370 nan 0.000 0.449 472 W N 1.325 122.524 121.300 -0.167 0.000 2.355 472 W HA -0.171 4.489 4.660 -0.000 0.000 0.309 472 W C 2.118 178.495 176.519 -0.236 0.000 1.206 472 W CA 1.041 58.275 57.345 -0.184 0.000 1.284 472 W CB -0.663 28.677 29.460 -0.200 0.000 1.145 472 W HN -0.205 nan 8.180 nan 0.000 0.502 473 V N 1.431 121.012 119.914 -0.555 0.000 2.427 473 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 473 V C 2.411 178.243 176.094 -0.437 0.000 1.051 473 V CA 2.039 63.901 62.300 -0.731 0.000 1.048 473 V CB -0.729 30.624 31.823 -0.784 0.000 0.666 473 V HN 0.181 nan 8.190 nan 0.000 0.456 474 M N 0.439 119.875 119.600 -0.274 0.000 2.229 474 M HA -0.091 4.388 4.480 -0.000 0.000 0.264 474 M C 2.394 178.594 176.300 -0.167 0.000 1.063 474 M CA 2.026 57.225 55.300 -0.167 0.000 1.114 474 M CB -1.326 31.221 32.600 -0.088 0.000 1.387 474 M HN 0.621 nan 8.290 nan 0.000 0.420 475 S N -0.639 114.952 115.700 -0.180 0.000 2.555 475 S HA -0.022 4.448 4.470 -0.000 0.000 0.230 475 S C 1.375 175.854 174.600 -0.202 0.000 0.978 475 S CA 0.661 58.771 58.200 -0.150 0.000 0.934 475 S CB -0.054 63.095 63.200 -0.085 0.000 0.766 475 S HN 0.405 nan 8.310 nan 0.000 0.533 476 E N 0.267 120.288 120.200 -0.297 0.000 2.485 476 E HA 0.369 4.719 4.350 -0.000 0.000 0.213 476 E C 0.096 176.564 176.600 -0.219 0.000 0.923 476 E CA -0.156 56.071 56.400 -0.288 0.000 1.054 476 E CB 0.362 29.737 29.700 -0.542 0.000 1.077 476 E HN 0.552 nan 8.360 nan 0.000 0.509 477 I N 2.610 123.047 120.570 -0.221 0.000 2.588 477 I HA -0.025 4.145 4.170 -0.000 0.000 0.283 477 I C 0.398 176.400 176.117 -0.191 0.000 1.119 477 I CA 0.230 61.439 61.300 -0.151 0.000 1.419 477 I CB 0.432 38.368 38.000 -0.106 0.000 1.394 477 I HN -0.456 nan 8.210 nan 0.000 0.562 478 K N 7.884 128.154 120.400 -0.217 0.000 2.293 478 K HA 0.526 4.845 4.320 -0.000 0.000 0.267 478 K C -0.862 175.495 176.600 -0.405 0.000 1.010 478 K CA -0.365 55.658 56.287 -0.441 0.000 0.875 478 K CB 1.220 33.328 32.500 -0.653 0.000 1.106 478 K HN 0.487 nan 8.250 nan 0.000 0.450 479 L N 4.363 125.358 121.223 -0.380 0.000 2.280 479 L HA 0.424 4.764 4.340 -0.000 0.000 0.287 479 L C -0.437 176.271 176.870 -0.271 0.000 1.023 479 L CA -0.980 53.732 54.840 -0.213 0.000 0.819 479 L CB 0.467 42.471 42.059 -0.092 0.000 1.212 479 L HN 0.448 nan 8.230 nan 0.000 0.420 480 Y N 1.304 121.636 120.300 0.054 0.000 2.334 480 Y HA 0.116 4.666 4.550 -0.000 0.000 0.328 480 Y C 1.180 177.098 175.900 0.029 0.000 1.130 480 Y CA -0.689 57.426 58.100 0.026 0.000 1.163 480 Y CB 1.403 39.877 38.460 0.024 0.000 1.207 480 Y HN 0.570 nan 8.280 nan 0.000 0.471 481 D N 0.898 121.412 120.400 0.189 0.000 2.190 481 D HA -0.193 4.447 4.640 -0.000 0.000 0.200 481 D C 1.260 177.614 176.300 0.089 0.000 0.992 481 D CA 1.666 55.725 54.000 0.100 0.000 0.854 481 D CB -0.155 40.686 40.800 0.069 0.000 0.936 481 D HN 0.697 nan 8.370 nan 0.000 0.462 482 D N -0.988 119.479 120.400 0.113 0.000 2.336 482 D HA 0.088 4.728 4.640 -0.000 0.000 0.229 482 D C 1.339 177.729 176.300 0.150 0.000 1.061 482 D CA 0.717 54.776 54.000 0.099 0.000 0.875 482 D CB -0.325 40.513 40.800 0.062 0.000 0.904 482 D HN 0.203 nan 8.370 nan 0.000 0.525 483 G N 0.325 109.228 108.800 0.172 0.000 2.137 483 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.237 483 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.237 483 G C 0.379 175.476 174.900 0.328 0.000 1.002 483 G CA 0.524 45.747 45.100 0.205 0.000 0.702 483 G HN 0.757 nan 8.290 nan 0.000 0.515 484 T N -1.437 113.322 114.554 0.342 0.000 2.923 484 T HA 0.863 5.213 4.350 -0.000 0.000 0.281 484 T C -0.117 174.908 174.700 0.543 0.000 0.995 484 T CA -0.283 62.070 62.100 0.422 0.000 0.985 484 T CB 2.385 71.403 68.868 0.250 0.000 1.114 484 T HN 1.519 nan 8.240 nan 0.000 0.548 485 F N -1.731 118.403 119.950 0.306 0.000 2.662 485 F HA 0.890 5.416 4.527 -0.000 0.000 0.312 485 F C -1.169 174.753 175.800 0.204 0.000 1.113 485 F CA -1.601 56.505 58.000 0.177 0.000 0.951 485 F CB 1.160 40.229 39.000 0.115 0.000 1.344 485 F HN 0.924 nan 8.300 nan 0.000 0.462 486 A N 2.319 125.127 122.820 -0.019 0.000 2.515 486 A HA 0.848 5.168 4.320 -0.000 0.000 0.298 486 A C -1.224 176.397 177.584 0.062 0.000 1.059 486 A CA -0.783 51.192 52.037 -0.104 0.000 0.698 486 A CB 1.491 20.506 19.000 0.024 0.000 1.289 486 A HN 1.193 nan 8.150 nan 0.000 0.404 487 I N -1.205 119.413 120.570 0.080 0.000 2.892 487 I HA 0.702 4.872 4.170 -0.000 0.000 0.306 487 I C -2.878 173.162 176.117 -0.129 0.000 1.078 487 I CA -3.155 58.150 61.300 0.007 0.000 1.032 487 I CB 2.090 40.115 38.000 0.042 0.000 1.229 487 I HN 0.227 nan 8.210 nan 0.000 0.435 488 P HA 0.030 nan 4.420 nan 0.000 0.264 488 P C -0.177 176.832 177.300 -0.484 0.000 1.183 488 P CA 0.385 62.987 63.100 -0.830 0.000 0.763 488 P CB 0.916 31.790 31.700 -1.377 0.000 0.807 489 S N 1.222 116.757 115.700 -0.275 0.000 2.694 489 S HA 0.094 4.563 4.470 -0.000 0.000 0.225 489 S C 0.094 174.776 174.600 0.137 0.000 1.012 489 S CA 0.360 58.565 58.200 0.010 0.000 0.896 489 S CB 0.071 63.286 63.200 0.025 0.000 0.838 489 S HN 0.429 nan 8.310 nan 0.000 0.604 490 D N 1.091 121.526 120.400 0.057 0.000 2.350 490 D HA 0.546 5.185 4.640 -0.000 0.000 0.245 490 D C -1.196 175.165 176.300 0.101 0.000 1.036 490 D CA -0.324 53.767 54.000 0.152 0.000 0.848 490 D CB 1.787 42.660 40.800 0.121 0.000 1.307 490 D HN 0.099 nan 8.370 nan 0.000 0.469 491 L N 0.915 122.265 121.223 0.212 0.000 2.319 491 L HA 0.508 4.848 4.340 -0.000 0.000 0.267 491 L C 0.050 176.963 176.870 0.071 0.000 1.011 491 L CA -0.728 54.170 54.840 0.098 0.000 0.818 491 L CB 1.434 43.611 42.059 0.198 0.000 1.316 491 L HN 0.423 nan 8.230 nan 0.000 0.432 492 E N 0.529 120.629 120.200 -0.166 0.000 2.292 492 E HA 0.453 4.802 4.350 -0.000 0.000 0.272 492 E C -1.997 174.458 176.600 -0.242 0.000 0.881 492 E CA -0.528 55.852 56.400 -0.032 0.000 0.754 492 E CB 1.394 31.119 29.700 0.040 0.000 1.201 492 E HN 0.447 nan 8.360 nan 0.000 0.425 493 W N 2.248 123.632 121.300 0.139 0.000 2.666 493 W HA 0.519 5.179 4.660 -0.000 0.000 0.334 493 W C -0.398 176.175 176.519 0.090 0.000 1.051 493 W CA -0.438 56.955 57.345 0.079 0.000 1.224 493 W CB 2.162 31.625 29.460 0.005 0.000 1.405 493 W HN 0.495 nan 8.180 nan 0.000 0.513 494 S N 1.348 117.230 115.700 0.303 0.000 2.595 494 S HA 0.911 5.381 4.470 -0.000 0.000 0.281 494 S C 0.028 174.735 174.600 0.178 0.000 1.117 494 S CA -0.327 58.010 58.200 0.228 0.000 0.873 494 S CB 1.475 64.787 63.200 0.186 0.000 1.108 494 S HN 1.573 nan 8.310 nan 0.000 0.477 495 G N 1.009 109.891 108.800 0.136 0.000 2.645 495 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.239 495 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.239 495 G C -1.152 173.739 174.900 -0.015 0.000 1.331 495 G CA -0.204 44.927 45.100 0.053 0.000 0.890 495 G HN 0.993 nan 8.290 nan 0.000 0.572 496 Q N 0.140 119.833 119.800 -0.177 0.000 2.416 496 Q HA 0.534 4.873 4.340 -0.000 0.000 0.281 496 Q C -2.552 173.119 176.000 -0.548 0.000 1.067 496 Q CA -1.757 53.754 55.803 -0.488 0.000 0.809 496 Q CB 3.194 31.792 28.738 -0.234 0.000 1.418 496 Q HN 0.577 nan 8.270 nan 0.000 0.411 497 P HA -0.021 nan 4.420 nan 0.000 0.272 497 P C -0.812 176.347 177.300 -0.237 0.000 1.230 497 P CA -0.085 62.653 63.100 -0.604 0.000 0.788 497 P CB 0.626 31.653 31.700 -1.123 0.000 0.949 498 D N 0.522 120.890 120.400 -0.054 0.000 2.372 498 D HA 0.057 4.697 4.640 -0.000 0.000 0.243 498 D C 0.336 176.851 176.300 0.358 0.000 1.121 498 D CA 0.483 54.541 54.000 0.097 0.000 0.898 498 D CB 0.133 40.967 40.800 0.057 0.000 1.202 498 D HN 0.233 nan 8.370 nan 0.000 0.428 499 T N 1.879 116.614 114.554 0.302 0.000 2.891 499 T HA -0.129 4.221 4.350 -0.000 0.000 0.296 499 T C 0.311 175.220 174.700 0.349 0.000 1.025 499 T CA 0.006 62.314 62.100 0.347 0.000 1.149 499 T CB 0.253 69.217 68.868 0.161 0.000 1.007 499 T HN 0.258 nan 8.240 nan 0.000 0.528 500 W N 3.435 124.774 121.300 0.065 0.000 2.381 500 W HA 0.154 4.813 4.660 -0.000 0.000 0.321 500 W C 0.191 176.652 176.519 -0.095 0.000 1.407 500 W CA -0.172 57.168 57.345 -0.008 0.000 1.274 500 W CB 0.506 29.836 29.460 -0.218 0.000 1.310 500 W HN 0.561 nan 8.180 nan 0.000 0.551 501 T N 3.890 118.063 114.554 -0.635 0.000 3.231 501 T HA 0.214 4.563 4.350 -0.000 0.000 0.292 501 T C 0.957 175.196 174.700 -0.769 0.000 1.001 501 T CA 0.515 62.286 62.100 -0.549 0.000 0.920 501 T CB -0.340 68.361 68.868 -0.279 0.000 1.140 501 T HN 0.839 nan 8.240 nan 0.000 0.525 502 G N 1.408 109.314 108.800 -1.490 0.000 2.176 502 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.253 502 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.253 502 G C 0.178 174.588 174.900 -0.816 0.000 0.979 502 G CA 0.351 44.816 45.100 -1.057 0.000 0.641 502 G HN 0.590 nan 8.290 nan 0.000 0.530 503 T N -0.450 113.552 114.554 -0.921 0.000 3.032 503 T HA 0.437 4.787 4.350 -0.000 0.000 0.312 503 T C -1.016 173.667 174.700 -0.028 0.000 1.078 503 T CA -0.577 61.349 62.100 -0.291 0.000 1.028 503 T CB 1.958 70.734 68.868 -0.153 0.000 1.091 503 T HN 0.491 nan 8.240 nan 0.000 0.457 504 Y N 3.183 123.588 120.300 0.175 0.000 2.544 504 Y HA 0.239 4.789 4.550 -0.000 0.000 0.330 504 Y C 1.727 177.699 175.900 0.119 0.000 1.136 504 Y CA 0.044 58.308 58.100 0.272 0.000 1.417 504 Y CB 0.742 39.354 38.460 0.254 0.000 1.229 504 Y HN 0.791 nan 8.280 nan 0.000 0.532 505 T N 1.023 115.365 114.554 -0.353 0.000 3.060 505 T HA 0.284 4.634 4.350 -0.000 0.000 0.249 505 T C 1.386 175.745 174.700 -0.568 0.000 1.079 505 T CA 0.423 62.313 62.100 -0.350 0.000 1.013 505 T CB -0.265 68.490 68.868 -0.190 0.000 0.975 505 T HN 1.271 nan 8.240 nan 0.000 0.518 506 G N 1.957 109.971 108.800 -1.310 0.000 2.213 506 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.236 506 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.236 506 G C 0.214 174.813 174.900 -0.503 0.000 0.991 506 G CA -0.152 44.417 45.100 -0.885 0.000 0.629 506 G HN 0.596 nan 8.290 nan 0.000 0.517 507 N N -0.241 118.187 118.700 -0.454 0.000 2.678 507 N HA -0.152 4.588 4.740 -0.000 0.000 0.268 507 N C -0.945 174.424 175.510 -0.236 0.000 1.010 507 N CA 1.302 54.199 53.050 -0.254 0.000 0.784 507 N CB -0.361 38.013 38.487 -0.189 0.000 0.905 507 N HN 0.479 nan 8.380 nan 0.000 0.552 508 P HA -0.111 nan 4.420 nan 0.000 0.225 508 P C 0.316 177.508 177.300 -0.181 0.000 1.148 508 P CA 1.215 64.237 63.100 -0.130 0.000 0.779 508 P CB 0.215 31.873 31.700 -0.070 0.000 0.780 509 N N -1.139 117.419 118.700 -0.236 0.000 2.204 509 N HA 0.138 4.878 4.740 -0.000 0.000 0.219 509 N C -0.280 174.986 175.510 -0.406 0.000 1.151 509 N CA -0.374 52.541 53.050 -0.224 0.000 0.867 509 N CB 0.221 38.664 38.487 -0.073 0.000 1.043 509 N HN 0.013 nan 8.380 nan 0.000 0.516 510 L N 1.510 122.396 121.223 -0.561 0.000 2.298 510 L HA 0.379 4.718 4.340 -0.000 0.000 0.284 510 L C -1.191 175.348 176.870 -0.551 0.000 1.013 510 L CA -0.572 54.006 54.840 -0.436 0.000 0.824 510 L CB 0.338 42.193 42.059 -0.341 0.000 1.221 510 L HN 0.083 nan 8.230 nan 0.000 0.418 511 H N 3.961 123.040 119.070 0.015 0.000 2.637 511 H HA 0.618 5.174 4.556 -0.000 0.000 0.363 511 H C -1.062 174.186 175.328 -0.134 0.000 1.131 511 H CA -0.665 55.355 56.048 -0.048 0.000 1.183 511 H CB 2.484 32.222 29.762 -0.039 0.000 1.637 511 H HN 0.478 nan 8.280 nan 0.000 0.531 512 V N 2.828 122.602 119.914 -0.234 0.000 2.680 512 V HA 0.563 4.683 4.120 -0.000 0.000 0.309 512 V C -0.671 175.256 176.094 -0.278 0.000 1.052 512 V CA -0.738 61.167 62.300 -0.658 0.000 0.908 512 V CB 2.411 33.404 31.823 -1.383 0.000 1.001 512 V HN 0.832 nan 8.190 nan 0.000 0.431 513 R N 4.477 124.828 120.500 -0.249 0.000 2.575 513 R HA 0.672 5.012 4.340 -0.000 0.000 0.293 513 R C -1.800 174.448 176.300 -0.085 0.000 0.983 513 R CA -0.576 55.474 56.100 -0.082 0.000 0.887 513 R CB 2.224 32.491 30.300 -0.055 0.000 1.184 513 R HN 0.615 nan 8.270 nan 0.000 0.445 514 V N 3.956 123.839 119.914 -0.051 0.000 2.521 514 V HA 0.067 4.187 4.120 -0.000 0.000 0.286 514 V C 1.399 177.385 176.094 -0.180 0.000 1.034 514 V CA 0.404 62.596 62.300 -0.181 0.000 1.045 514 V CB 1.183 32.776 31.823 -0.383 0.000 0.974 514 V HN 1.045 nan 8.190 nan 0.000 0.480 515 T N -0.355 114.103 114.554 -0.161 0.000 2.990 515 T HA 0.200 4.550 4.350 -0.000 0.000 0.249 515 T C 0.574 175.219 174.700 -0.091 0.000 1.039 515 T CA 0.458 62.511 62.100 -0.078 0.000 1.036 515 T CB 0.274 69.135 68.868 -0.012 0.000 0.994 515 T HN 0.797 nan 8.240 nan 0.000 0.489 516 S N -0.345 115.226 115.700 -0.215 0.000 2.570 516 S HA 0.721 5.191 4.470 -0.000 0.000 0.270 516 S C -1.911 172.447 174.600 -0.404 0.000 1.149 516 S CA -1.039 57.064 58.200 -0.162 0.000 0.837 516 S CB 1.251 64.439 63.200 -0.019 0.000 1.124 516 S HN 0.247 nan 8.310 nan 0.000 0.465 517 Y N -0.083 120.194 120.300 -0.038 0.000 2.562 517 Y HA 0.887 5.437 4.550 -0.000 0.000 0.343 517 Y C 0.988 176.855 175.900 -0.054 0.000 1.025 517 Y CA 0.006 58.062 58.100 -0.074 0.000 1.082 517 Y CB 2.352 40.766 38.460 -0.077 0.000 1.264 517 Y HN 1.237 nan 8.280 nan 0.000 0.478 518 G N -0.679 108.163 108.800 0.070 0.000 2.664 518 G HA2 0.418 4.377 3.960 -0.000 0.000 0.303 518 G HA3 0.418 4.377 3.960 -0.000 0.000 0.303 518 G C -0.884 173.943 174.900 -0.123 0.000 1.243 518 G CA -0.552 44.544 45.100 -0.007 0.000 0.826 518 G HN 0.395 nan 8.290 nan 0.000 0.498 519 T N 0.648 115.103 114.554 -0.165 0.000 3.714 519 T HA 0.212 4.562 4.350 -0.000 0.000 0.309 519 T C -0.664 173.883 174.700 -0.255 0.000 0.958 519 T CA -0.308 61.566 62.100 -0.377 0.000 1.010 519 T CB -0.260 68.367 68.868 -0.401 0.000 1.202 519 T HN 0.450 nan 8.240 nan 0.000 0.476 520 D N 1.833 122.191 120.400 -0.070 0.000 2.412 520 D HA 0.061 4.700 4.640 -0.000 0.000 0.257 520 D C 1.291 177.492 176.300 -0.164 0.000 1.217 520 D CA 0.175 54.140 54.000 -0.057 0.000 0.897 520 D CB 0.790 41.668 40.800 0.129 0.000 1.132 520 D HN 0.373 nan 8.370 nan 0.000 0.493 521 L N 3.735 124.709 121.223 -0.415 0.000 2.072 521 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 521 L C 2.577 179.209 176.870 -0.397 0.000 1.079 521 L CA 1.041 55.682 54.840 -0.332 0.000 0.752 521 L CB -0.460 41.431 42.059 -0.281 0.000 0.906 521 L HN 0.515 nan 8.230 nan 0.000 0.436 522 G N 0.048 108.228 108.800 -1.034 0.000 2.491 522 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 522 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 522 G C 1.558 176.562 174.900 0.174 0.000 1.180 522 G CA 1.136 45.887 45.100 -0.582 0.000 0.774 522 G HN 0.189 nan 8.290 nan 0.000 0.562 523 V N 1.477 121.497 119.914 0.176 0.000 2.490 523 V HA -0.110 4.010 4.120 -0.000 0.000 0.250 523 V C 3.234 179.473 176.094 0.241 0.000 1.061 523 V CA 1.937 64.398 62.300 0.268 0.000 1.064 523 V CB -0.749 31.199 31.823 0.207 0.000 0.670 523 V HN 0.514 nan 8.190 nan 0.000 0.461 524 A N 0.546 123.464 122.820 0.164 0.000 1.897 524 A HA 0.027 4.347 4.320 -0.000 0.000 0.215 524 A C 2.435 180.090 177.584 0.119 0.000 1.181 524 A CA 1.619 53.745 52.037 0.149 0.000 0.620 524 A CB -1.163 17.907 19.000 0.116 0.000 0.821 524 A HN 0.486 nan 8.150 nan 0.000 0.443 525 G N -0.427 108.442 108.800 0.116 0.000 2.459 525 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.217 525 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.217 525 G C 1.997 177.024 174.900 0.210 0.000 1.183 525 G CA 1.745 46.925 45.100 0.132 0.000 0.776 525 G HN 0.625 nan 8.290 nan 0.000 0.552 526 S N -0.083 115.821 115.700 0.340 0.000 2.383 526 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 526 S C 2.348 177.160 174.600 0.354 0.000 1.030 526 S CA 1.618 60.078 58.200 0.433 0.000 1.002 526 S CB -0.278 63.331 63.200 0.682 0.000 0.829 526 S HN 0.242 nan 8.310 nan 0.000 0.467 527 L N 1.616 123.029 121.223 0.317 0.000 2.109 527 L HA 0.278 4.618 4.340 -0.000 0.000 0.207 527 L C 2.487 179.501 176.870 0.241 0.000 1.086 527 L CA 1.814 56.845 54.840 0.318 0.000 0.760 527 L CB -1.239 41.008 42.059 0.314 0.000 0.910 527 L HN 0.332 nan 8.230 nan 0.000 0.437 528 A N -0.221 122.698 122.820 0.166 0.000 1.902 528 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 528 A C 2.232 179.895 177.584 0.132 0.000 1.181 528 A CA 1.698 53.797 52.037 0.104 0.000 0.623 528 A CB -0.965 18.056 19.000 0.035 0.000 0.818 528 A HN 0.613 nan 8.150 nan 0.000 0.443 529 N N 0.819 119.613 118.700 0.156 0.000 2.018 529 N HA -0.202 4.537 4.740 -0.000 0.000 0.196 529 N C 1.903 177.536 175.510 0.205 0.000 1.043 529 N CA 2.325 55.473 53.050 0.163 0.000 0.856 529 N CB -0.615 37.982 38.487 0.184 0.000 1.042 529 N HN 0.361 nan 8.380 nan 0.000 0.423 530 A N 1.169 124.143 122.820 0.256 0.000 1.903 530 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 530 A C 2.641 180.412 177.584 0.312 0.000 1.191 530 A CA 1.624 53.831 52.037 0.282 0.000 0.638 530 A CB -0.947 18.275 19.000 0.370 0.000 0.823 530 A HN 0.415 nan 8.150 nan 0.000 0.451 531 L N -1.366 120.032 121.223 0.292 0.000 2.109 531 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 531 L C 3.069 180.106 176.870 0.279 0.000 1.086 531 L CA 0.814 55.833 54.840 0.298 0.000 0.760 531 L CB -0.472 41.707 42.059 0.200 0.000 0.910 531 L HN 0.443 nan 8.230 nan 0.000 0.437 532 A N -0.284 122.661 122.820 0.209 0.000 1.855 532 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 532 A C 2.363 180.108 177.584 0.269 0.000 1.191 532 A CA 2.230 54.413 52.037 0.243 0.000 0.613 532 A CB -0.969 18.161 19.000 0.216 0.000 0.829 532 A HN 0.328 nan 8.150 nan 0.000 0.442 533 T N -1.128 113.530 114.554 0.173 0.000 2.665 533 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 533 T C 1.801 176.569 174.700 0.114 0.000 1.035 533 T CA 1.960 64.083 62.100 0.039 0.000 1.151 533 T CB -0.526 68.381 68.868 0.065 0.000 0.862 533 T HN 0.591 nan 8.240 nan 0.000 0.438 534 Y N 2.237 122.616 120.300 0.130 0.000 2.128 534 Y HA -0.092 4.458 4.550 -0.000 0.000 0.284 534 Y C 2.490 178.510 175.900 0.200 0.000 1.154 534 Y CA 0.953 59.166 58.100 0.188 0.000 1.149 534 Y CB -0.929 37.654 38.460 0.206 0.000 0.976 534 Y HN 0.175 nan 8.280 nan 0.000 0.505 535 A N 0.853 123.678 122.820 0.008 0.000 1.908 535 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 535 A C 2.490 180.120 177.584 0.078 0.000 1.181 535 A CA 2.195 54.215 52.037 -0.028 0.000 0.627 535 A CB -1.601 17.488 19.000 0.148 0.000 0.818 535 A HN 0.674 nan 8.150 nan 0.000 0.445 536 A N -0.123 122.756 122.820 0.098 0.000 1.908 536 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 536 A C 2.518 179.992 177.584 -0.183 0.000 1.181 536 A CA 2.248 54.176 52.037 -0.182 0.000 0.627 536 A CB -1.077 17.546 19.000 -0.629 0.000 0.818 536 A HN 1.137 nan 8.150 nan 0.000 0.445 537 A N -0.240 122.508 122.820 -0.120 0.000 1.940 537 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 537 A C 2.451 180.048 177.584 0.021 0.000 1.176 537 A CA 2.663 54.693 52.037 -0.012 0.000 0.631 537 A CB -1.454 17.628 19.000 0.138 0.000 0.814 537 A HN 0.829 nan 8.150 nan 0.000 0.446 538 T N -2.429 112.085 114.554 -0.068 0.000 2.821 538 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 538 T C 1.738 176.429 174.700 -0.014 0.000 1.046 538 T CA 1.514 63.602 62.100 -0.021 0.000 1.139 538 T CB -0.305 68.473 68.868 -0.149 0.000 0.871 538 T HN 0.605 nan 8.240 nan 0.000 0.454 539 E N 0.921 121.092 120.200 -0.048 0.000 2.072 539 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 539 E C 2.544 179.060 176.600 -0.141 0.000 0.985 539 E CA 0.672 57.041 56.400 -0.053 0.000 0.801 539 E CB -0.084 29.600 29.700 -0.026 0.000 0.750 539 E HN 0.536 nan 8.360 nan 0.000 0.452 540 R N -0.652 119.694 120.500 -0.258 0.000 2.062 540 R HA -0.144 4.196 4.340 -0.000 0.000 0.231 540 R C 1.692 177.620 176.300 -0.619 0.000 1.136 540 R CA 2.023 57.801 56.100 -0.536 0.000 0.948 540 R CB -0.179 29.644 30.300 -0.794 0.000 0.845 540 R HN 0.222 nan 8.270 nan 0.000 0.430 541 W N 0.222 121.438 121.300 -0.141 0.000 2.683 541 W HA 0.231 4.891 4.660 -0.000 0.000 0.267 541 W C 0.517 177.019 176.519 -0.028 0.000 1.243 541 W CA -0.440 56.831 57.345 -0.123 0.000 1.380 541 W CB 0.410 29.710 29.460 -0.266 0.000 1.063 541 W HN 0.051 nan 8.180 nan 0.000 0.599 542 E N -0.506 119.794 120.200 0.168 0.000 2.284 542 E HA 0.347 4.696 4.350 -0.000 0.000 0.255 542 E C 1.488 178.137 176.600 0.082 0.000 1.052 542 E CA -0.139 56.352 56.400 0.151 0.000 0.904 542 E CB 0.675 30.478 29.700 0.172 0.000 1.217 542 E HN -0.052 nan 8.360 nan 0.000 0.438 543 G N 0.690 109.539 108.800 0.082 0.000 2.440 543 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 543 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 543 G C 0.430 175.356 174.900 0.043 0.000 1.154 543 G CA 1.151 46.285 45.100 0.057 0.000 0.767 543 G HN 0.345 nan 8.290 nan 0.000 0.552 544 K N -0.726 119.703 120.400 0.048 0.000 2.532 544 K HA 0.395 4.715 4.320 -0.000 0.000 0.265 544 K C -1.313 175.309 176.600 0.037 0.000 0.948 544 K CA -1.206 55.104 56.287 0.039 0.000 0.842 544 K CB 1.610 34.134 32.500 0.041 0.000 1.392 544 K HN 0.014 nan 8.250 nan 0.000 0.436 545 L N 2.448 123.693 121.223 0.037 0.000 2.578 545 L HA 0.086 4.426 4.340 -0.000 0.000 0.279 545 L C -0.002 176.888 176.870 0.033 0.000 1.227 545 L CA 0.797 55.663 54.840 0.044 0.000 0.900 545 L CB 0.030 42.139 42.059 0.084 0.000 1.144 545 L HN 0.703 nan 8.230 nan 0.000 0.496 546 D N 3.635 124.040 120.400 0.008 0.000 2.374 546 D HA 0.008 4.648 4.640 -0.000 0.000 0.240 546 D C 0.742 177.055 176.300 0.022 0.000 1.229 546 D CA 0.144 54.164 54.000 0.032 0.000 0.895 546 D CB 1.130 41.963 40.800 0.055 0.000 1.046 546 D HN 0.778 nan 8.370 nan 0.000 0.498 547 T N 3.606 118.170 114.554 0.017 0.000 2.737 547 T HA -0.121 4.229 4.350 -0.000 0.000 0.265 547 T C 1.771 176.454 174.700 -0.029 0.000 1.038 547 T CA 1.020 63.109 62.100 -0.018 0.000 1.144 547 T CB 0.212 69.077 68.868 -0.004 0.000 0.866 547 T HN 0.446 nan 8.240 nan 0.000 0.434 548 K N 1.120 121.525 120.400 0.008 0.000 2.147 548 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 548 K C 2.526 179.137 176.600 0.018 0.000 1.049 548 K CA 1.195 57.488 56.287 0.009 0.000 0.936 548 K CB -0.205 32.312 32.500 0.029 0.000 0.722 548 K HN 0.278 nan 8.250 nan 0.000 0.446 549 A N 1.871 124.732 122.820 0.068 0.000 1.897 549 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 549 A C 2.169 179.766 177.584 0.022 0.000 1.181 549 A CA 1.064 53.173 52.037 0.121 0.000 0.620 549 A CB -0.407 18.793 19.000 0.334 0.000 0.821 549 A HN 0.196 nan 8.150 nan 0.000 0.443 550 R N -0.279 120.165 120.500 -0.094 0.000 2.081 550 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 550 R C 1.197 177.348 176.300 -0.249 0.000 1.131 550 R CA 1.890 57.799 56.100 -0.318 0.000 0.960 550 R CB -0.353 29.547 30.300 -0.667 0.000 0.856 550 R HN 0.448 nan 8.270 nan 0.000 0.436 551 D N 0.452 120.757 120.400 -0.157 0.000 2.103 551 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 551 D C 1.805 178.060 176.300 -0.076 0.000 0.978 551 D CA 1.115 55.050 54.000 -0.108 0.000 0.829 551 D CB -0.235 40.520 40.800 -0.075 0.000 0.981 551 D HN 0.165 nan 8.370 nan 0.000 0.464 552 M N 1.443 121.011 119.600 -0.053 0.000 2.106 552 M HA -0.128 4.351 4.480 -0.000 0.000 0.259 552 M C 1.913 178.187 176.300 -0.042 0.000 1.068 552 M CA 1.448 56.724 55.300 -0.039 0.000 1.100 552 M CB -0.479 32.108 32.600 -0.021 0.000 1.351 552 M HN -0.017 nan 8.290 nan 0.000 0.404 553 A N -0.571 122.224 122.820 -0.042 0.000 1.972 553 A HA 0.070 4.389 4.320 -0.000 0.000 0.219 553 A C 2.335 179.858 177.584 -0.100 0.000 1.169 553 A CA 1.975 53.984 52.037 -0.047 0.000 0.635 553 A CB -1.293 17.691 19.000 -0.028 0.000 0.810 553 A HN 0.654 nan 8.150 nan 0.000 0.446 554 A N -0.438 122.310 122.820 -0.120 0.000 1.872 554 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 554 A C 1.918 179.500 177.584 -0.004 0.000 1.187 554 A CA 1.393 53.369 52.037 -0.102 0.000 0.614 554 A CB -0.417 18.558 19.000 -0.041 0.000 0.826 554 A HN 0.436 nan 8.150 nan 0.000 0.442 555 E N 0.269 120.453 120.200 -0.026 0.000 2.070 555 E HA -0.220 4.129 4.350 -0.000 0.000 0.197 555 E C 2.027 178.585 176.600 -0.070 0.000 1.004 555 E CA 1.380 57.763 56.400 -0.028 0.000 0.805 555 E CB -0.510 29.167 29.700 -0.039 0.000 0.744 555 E HN 0.673 nan 8.360 nan 0.000 0.451 556 L N 0.296 121.450 121.223 -0.115 0.000 2.056 556 L HA -0.154 4.185 4.340 -0.000 0.000 0.207 556 L C 2.624 179.374 176.870 -0.199 0.000 1.078 556 L CA 0.694 55.384 54.840 -0.250 0.000 0.749 556 L CB -0.474 41.485 42.059 -0.167 0.000 0.901 556 L HN -0.030 nan 8.230 nan 0.000 0.433 557 V N 0.053 119.937 119.914 -0.050 0.000 2.343 557 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 557 V C 2.265 178.503 176.094 0.239 0.000 1.051 557 V CA 1.741 64.080 62.300 0.065 0.000 1.036 557 V CB -0.693 31.143 31.823 0.022 0.000 0.654 557 V HN 0.467 nan 8.190 nan 0.000 0.451 558 N N 0.591 119.451 118.700 0.267 0.000 2.043 558 N HA -0.157 4.583 4.740 -0.000 0.000 0.193 558 N C 1.996 177.760 175.510 0.422 0.000 1.037 558 N CA 1.640 54.945 53.050 0.425 0.000 0.851 558 N CB -0.377 38.219 38.487 0.182 0.000 1.027 558 N HN 0.480 nan 8.380 nan 0.000 0.422 559 R N 0.585 121.206 120.500 0.201 0.000 2.092 559 R HA 0.095 4.435 4.340 -0.000 0.000 0.231 559 R C 2.208 178.726 176.300 0.364 0.000 1.119 559 R CA 1.152 57.412 56.100 0.267 0.000 0.970 559 R CB -0.291 30.103 30.300 0.157 0.000 0.864 559 R HN 0.186 nan 8.270 nan 0.000 0.440 560 A N 0.966 123.841 122.820 0.092 0.000 1.930 560 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 560 A C 1.844 179.746 177.584 0.529 0.000 1.175 560 A CA 0.910 53.157 52.037 0.350 0.000 0.627 560 A CB -0.771 18.279 19.000 0.084 0.000 0.815 560 A HN 0.604 nan 8.150 nan 0.000 0.443 561 W N -0.893 120.587 121.300 0.301 0.000 2.444 561 W HA -0.178 4.482 4.660 -0.000 0.000 0.308 561 W C 2.029 178.765 176.519 0.362 0.000 1.183 561 W CA 1.744 59.268 57.345 0.298 0.000 1.340 561 W CB -0.548 29.042 29.460 0.216 0.000 1.138 561 W HN 0.458 nan 8.180 nan 0.000 0.510 562 Y N 2.599 123.109 120.300 0.350 0.000 2.030 562 Y HA -0.300 4.250 4.550 -0.000 0.000 0.274 562 Y C 2.233 178.152 175.900 0.030 0.000 1.153 562 Y CA 2.582 60.796 58.100 0.189 0.000 1.115 562 Y CB -1.121 37.510 38.460 0.286 0.000 0.969 562 Y HN -0.080 nan 8.280 nan 0.000 0.488 563 N N -0.957 117.737 118.700 -0.011 0.000 2.515 563 N HA -0.070 4.669 4.740 -0.000 0.000 0.185 563 N C 0.127 175.164 175.510 -0.788 0.000 1.109 563 N CA 0.919 53.712 53.050 -0.428 0.000 0.903 563 N CB -0.080 38.268 38.487 -0.232 0.000 0.969 563 N HN 0.377 nan 8.380 nan 0.000 0.450 564 F N -1.216 118.723 119.950 -0.017 0.000 2.880 564 F HA 0.192 4.718 4.527 -0.000 0.000 0.328 564 F C 0.195 175.921 175.800 -0.124 0.000 1.146 564 F CA -0.934 57.044 58.000 -0.037 0.000 1.135 564 F CB -0.283 38.742 39.000 0.042 0.000 1.151 564 F HN -0.138 nan 8.300 nan 0.000 0.523 565 Y N 1.536 121.659 120.300 -0.295 0.000 2.788 565 Y HA 0.052 4.601 4.550 -0.000 0.000 0.341 565 Y C 0.268 176.019 175.900 -0.248 0.000 1.258 565 Y CA -0.266 57.546 58.100 -0.481 0.000 1.503 565 Y CB 0.601 38.670 38.460 -0.652 0.000 1.325 565 Y HN 0.165 nan 8.280 nan 0.000 0.614 566 C N 6.767 125.587 119.300 -0.799 0.000 2.264 566 C HA 0.343 4.803 4.460 -0.000 0.000 0.322 566 C C 1.326 176.068 174.990 -0.413 0.000 1.210 566 C CA -0.184 58.595 59.018 -0.398 0.000 1.539 566 C CB -0.956 26.668 27.740 -0.194 0.000 2.167 566 C HN 1.046 nan 8.230 nan 0.000 0.463 567 S N 2.987 118.671 115.700 -0.026 0.000 2.423 567 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 567 S C 1.853 176.480 174.600 0.046 0.000 1.028 567 S CA 2.178 60.455 58.200 0.128 0.000 1.000 567 S CB -0.101 63.150 63.200 0.086 0.000 0.797 567 S HN 1.028 nan 8.310 nan 0.000 0.487 568 E N 0.218 120.402 120.200 -0.027 0.000 2.502 568 E HA 0.394 4.744 4.350 -0.000 0.000 0.194 568 E C 1.261 177.829 176.600 -0.053 0.000 1.062 568 E CA 0.654 57.037 56.400 -0.028 0.000 0.867 568 E CB -1.250 28.431 29.700 -0.032 0.000 0.888 568 E HN 0.720 nan 8.360 nan 0.000 0.510 569 G N 0.340 109.077 108.800 -0.104 0.000 2.143 569 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 569 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 569 G C 1.080 175.928 174.900 -0.088 0.000 0.991 569 G CA 0.667 45.712 45.100 -0.092 0.000 0.689 569 G HN 0.500 nan 8.290 nan 0.000 0.522 570 K N -0.399 119.924 120.400 -0.127 0.000 2.400 570 K HA 0.438 4.758 4.320 -0.000 0.000 0.194 570 K C 1.819 178.459 176.600 0.067 0.000 1.033 570 K CA 0.913 57.144 56.287 -0.093 0.000 1.021 570 K CB 0.253 32.525 32.500 -0.379 0.000 0.808 570 K HN 1.137 nan 8.250 nan 0.000 0.505 571 G N 0.315 109.097 108.800 -0.030 0.000 2.055 571 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.160 571 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.160 571 G C -0.836 174.003 174.900 -0.102 0.000 1.087 571 G CA -0.368 44.755 45.100 0.039 0.000 1.269 571 G HN 0.084 nan 8.290 nan 0.000 0.461 572 V N -1.524 118.430 119.914 0.067 0.000 3.096 572 V HA 0.968 5.088 4.120 -0.000 0.000 0.319 572 V C -0.052 176.091 176.094 0.082 0.000 1.103 572 V CA -0.474 61.841 62.300 0.026 0.000 1.016 572 V CB 1.457 33.356 31.823 0.127 0.000 1.090 572 V HN 1.884 nan 8.190 nan 0.000 0.449 573 V N 0.096 120.023 119.914 0.022 0.000 3.048 573 V HA 0.625 4.745 4.120 -0.000 0.000 0.303 573 V C -0.228 175.856 176.094 -0.017 0.000 1.214 573 V CA 0.413 62.620 62.300 -0.154 0.000 0.984 573 V CB 2.441 34.075 31.823 -0.314 0.000 1.054 573 V HN 1.395 nan 8.190 nan 0.000 0.430 574 T N 3.397 117.889 114.554 -0.103 0.000 2.902 574 T HA 0.564 4.914 4.350 -0.000 0.000 0.280 574 T C -0.685 174.002 174.700 -0.022 0.000 0.992 574 T CA -0.223 61.841 62.100 -0.059 0.000 1.015 574 T CB 1.261 70.114 68.868 -0.025 0.000 1.044 574 T HN 0.861 nan 8.240 nan 0.000 0.520 575 E N 1.682 121.899 120.200 0.030 0.000 2.255 575 E HA 0.335 4.685 4.350 -0.000 0.000 0.256 575 E C -1.241 175.349 176.600 -0.017 0.000 0.887 575 E CA -0.551 55.850 56.400 0.001 0.000 0.782 575 E CB 0.669 30.411 29.700 0.069 0.000 1.214 575 E HN 0.738 nan 8.360 nan 0.000 0.417 576 E N 2.739 122.900 120.200 -0.065 0.000 2.275 576 E HA 0.628 4.978 4.350 -0.000 0.000 0.270 576 E C -1.120 175.432 176.600 -0.079 0.000 0.882 576 E CA -1.275 55.099 56.400 -0.042 0.000 0.758 576 E CB 1.759 31.465 29.700 0.010 0.000 1.195 576 E HN 0.359 nan 8.360 nan 0.000 0.419 577 A N 3.741 126.527 122.820 -0.056 0.000 2.454 577 A HA 0.297 4.617 4.320 -0.000 0.000 0.260 577 A C -0.131 177.394 177.584 -0.097 0.000 1.106 577 A CA -0.613 51.382 52.037 -0.069 0.000 0.780 577 A CB 0.079 19.058 19.000 -0.035 0.000 1.044 577 A HN 0.488 nan 8.150 nan 0.000 0.498 578 R N 3.029 123.421 120.500 -0.179 0.000 2.724 578 R HA 0.338 4.677 4.340 -0.000 0.000 0.284 578 R C 1.057 177.266 176.300 -0.151 0.000 1.481 578 R CA 0.287 56.207 56.100 -0.300 0.000 1.652 578 R CB 0.211 29.970 30.300 -0.901 0.000 1.175 578 R HN 0.823 nan 8.270 nan 0.000 0.613 579 A N 1.640 124.438 122.820 -0.036 0.000 1.978 579 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 579 A C 1.643 179.258 177.584 0.052 0.000 1.170 579 A CA 1.878 53.928 52.037 0.021 0.000 0.636 579 A CB -0.150 18.863 19.000 0.021 0.000 0.810 579 A HN 0.568 nan 8.150 nan 0.000 0.448 580 D N -1.307 119.138 120.400 0.075 0.000 2.265 580 D HA -0.220 4.419 4.640 -0.000 0.000 0.208 580 D C 1.174 177.488 176.300 0.022 0.000 0.977 580 D CA 1.005 55.049 54.000 0.073 0.000 0.871 580 D CB -0.668 40.281 40.800 0.250 0.000 0.925 580 D HN 0.495 nan 8.370 nan 0.000 0.485 581 Y N 1.901 122.199 120.300 -0.004 0.000 2.680 581 Y HA -0.056 4.493 4.550 -0.000 0.000 0.303 581 Y C 2.213 178.086 175.900 -0.045 0.000 1.166 581 Y CA 0.130 58.262 58.100 0.053 0.000 1.344 581 Y CB -0.628 37.984 38.460 0.254 0.000 1.002 581 Y HN 0.266 nan 8.280 nan 0.000 0.537 582 K N 0.249 120.700 120.400 0.085 0.000 2.209 582 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 582 K C 1.684 178.172 176.600 -0.186 0.000 1.048 582 K CA 1.336 57.694 56.287 0.119 0.000 0.940 582 K CB -0.334 32.283 32.500 0.196 0.000 0.729 582 K HN 0.214 nan 8.250 nan 0.000 0.451 583 R N -0.220 119.917 120.500 -0.605 0.000 2.235 583 R HA 0.011 4.351 4.340 -0.000 0.000 0.213 583 R C 1.782 177.599 176.300 -0.805 0.000 1.059 583 R CA 0.801 56.376 56.100 -0.876 0.000 0.997 583 R CB -0.375 28.975 30.300 -1.583 0.000 0.884 583 R HN 0.150 nan 8.270 nan 0.000 0.462 584 F N -0.133 119.217 119.950 -1.001 0.000 2.147 584 F HA -0.266 4.261 4.527 -0.000 0.000 0.301 584 F C 1.323 176.702 175.800 -0.701 0.000 1.084 584 F CA 1.800 59.314 58.000 -0.809 0.000 1.268 584 F CB 0.017 38.161 39.000 -1.428 0.000 1.009 584 F HN -0.025 nan 8.300 nan 0.000 0.486 585 F N -2.576 117.352 119.950 -0.037 0.000 2.740 585 F HA 0.160 4.687 4.527 -0.000 0.000 0.304 585 F C 1.907 177.630 175.800 -0.129 0.000 1.098 585 F CA -0.047 57.862 58.000 -0.150 0.000 1.258 585 F CB -0.333 38.297 39.000 -0.616 0.000 1.061 585 F HN -0.228 nan 8.300 nan 0.000 0.598 586 E N 0.122 120.308 120.200 -0.022 0.000 2.276 586 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 586 E C 0.722 177.342 176.600 0.033 0.000 0.983 586 E CA 0.039 56.463 56.400 0.040 0.000 0.861 586 E CB 0.139 29.864 29.700 0.041 0.000 0.817 586 E HN 0.048 nan 8.360 nan 0.000 0.485 587 Q N 2.349 122.140 119.800 -0.016 0.000 2.286 587 Q HA -0.007 4.333 4.340 -0.000 0.000 0.265 587 Q C -0.700 175.375 176.000 0.125 0.000 1.080 587 Q CA 0.311 56.139 55.803 0.041 0.000 0.906 587 Q CB 0.431 29.192 28.738 0.039 0.000 1.227 587 Q HN -0.005 nan 8.270 nan 0.000 0.409 588 E N 2.498 122.770 120.200 0.120 0.000 2.384 588 E HA 0.154 4.504 4.350 -0.000 0.000 0.266 588 E C -1.027 175.670 176.600 0.162 0.000 1.012 588 E CA -0.267 56.214 56.400 0.134 0.000 0.901 588 E CB 0.733 30.506 29.700 0.122 0.000 0.967 588 E HN 0.432 nan 8.360 nan 0.000 0.435 589 V N 5.727 125.733 119.914 0.154 0.000 2.347 589 V HA 0.044 4.164 4.120 -0.000 0.000 0.280 589 V C -0.343 175.830 176.094 0.132 0.000 1.021 589 V CA -0.683 61.713 62.300 0.159 0.000 0.847 589 V CB 0.513 32.416 31.823 0.133 0.000 0.990 589 V HN 0.604 nan 8.190 nan 0.000 0.444 590 Y N 5.601 125.939 120.300 0.063 0.000 2.721 590 Y HA 0.309 4.859 4.550 -0.000 0.000 0.329 590 Y C -0.091 175.798 175.900 -0.018 0.000 1.211 590 Y CA 0.528 58.649 58.100 0.035 0.000 1.512 590 Y CB 0.574 39.065 38.460 0.051 0.000 1.249 590 Y HN 0.411 nan 8.280 nan 0.000 0.549 591 V N 8.820 128.218 119.914 -0.859 0.000 2.638 591 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 591 V C -2.270 173.243 176.094 -0.969 0.000 1.052 591 V CA -2.240 59.623 62.300 -0.728 0.000 0.885 591 V CB 1.921 33.563 31.823 -0.301 0.000 0.999 591 V HN 0.688 nan 8.190 nan 0.000 0.424 592 P HA 0.193 nan 4.420 nan 0.000 0.268 592 P C -0.198 177.042 177.300 -0.100 0.000 1.205 592 P CA 0.052 62.991 63.100 -0.268 0.000 0.771 592 P CB 0.447 32.123 31.700 -0.039 0.000 0.858 593 A N 2.932 125.734 122.820 -0.031 0.000 2.565 593 A HA 0.363 4.683 4.320 -0.000 0.000 0.237 593 A C 1.663 179.272 177.584 0.042 0.000 1.053 593 A CA 0.877 52.919 52.037 0.009 0.000 0.755 593 A CB -1.458 17.558 19.000 0.026 0.000 0.980 593 A HN 0.904 nan 8.150 nan 0.000 0.506 594 G N 0.728 109.546 108.800 0.031 0.000 2.245 594 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.264 594 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.264 594 G C 0.170 175.088 174.900 0.031 0.000 0.985 594 G CA 0.631 45.742 45.100 0.019 0.000 0.625 594 G HN 1.271 nan 8.290 nan 0.000 0.536 595 W N 2.326 123.556 121.300 -0.116 0.000 2.315 595 W HA 0.597 5.257 4.660 -0.000 0.000 0.316 595 W C 0.658 177.089 176.519 -0.145 0.000 1.211 595 W CA 0.349 57.607 57.345 -0.145 0.000 1.201 595 W CB 1.240 30.597 29.460 -0.171 0.000 1.184 595 W HN 0.697 nan 8.180 nan 0.000 0.544 596 S N 4.226 119.638 115.700 -0.480 0.000 2.570 596 S HA 0.952 5.421 4.470 -0.000 0.000 0.270 596 S C -0.617 173.464 174.600 -0.864 0.000 1.149 596 S CA -0.397 57.592 58.200 -0.352 0.000 0.837 596 S CB 1.720 64.783 63.200 -0.228 0.000 1.124 596 S HN 1.127 nan 8.310 nan 0.000 0.465 597 G N 0.305 108.859 108.800 -0.411 0.000 2.430 597 G HA2 0.687 4.647 3.960 -0.000 0.000 0.300 597 G HA3 0.687 4.647 3.960 -0.000 0.000 0.300 597 G C -1.136 173.715 174.900 -0.082 0.000 1.330 597 G CA -0.045 44.828 45.100 -0.377 0.000 0.813 597 G HN 1.586 nan 8.290 nan 0.000 0.487 598 T N -1.727 112.810 114.554 -0.028 0.000 2.909 598 T HA 0.671 5.021 4.350 -0.000 0.000 0.299 598 T C 0.109 174.904 174.700 0.158 0.000 1.073 598 T CA -0.915 61.220 62.100 0.058 0.000 0.999 598 T CB 1.802 70.694 68.868 0.039 0.000 1.098 598 T HN 0.505 nan 8.240 nan 0.000 0.477 599 M N 1.736 121.411 119.600 0.124 0.000 2.198 599 M HA 0.261 4.741 4.480 -0.000 0.000 0.315 599 M C -1.570 174.675 176.300 -0.092 0.000 1.134 599 M CA -2.454 52.886 55.300 0.067 0.000 1.171 599 M CB 0.052 32.621 32.600 -0.052 0.000 1.413 599 M HN 0.404 nan 8.290 nan 0.000 0.467 600 P HA -0.192 nan 4.420 nan 0.000 0.216 600 P C 0.828 177.968 177.300 -0.266 0.000 1.154 600 P CA 1.599 64.323 63.100 -0.627 0.000 0.865 600 P CB -0.113 30.985 31.700 -1.003 0.000 0.789 601 N N -1.375 117.147 118.700 -0.297 0.000 2.521 601 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 601 N C 1.264 176.694 175.510 -0.132 0.000 1.146 601 N CA 1.319 54.235 53.050 -0.224 0.000 0.893 601 N CB -0.812 37.493 38.487 -0.303 0.000 0.975 601 N HN 0.258 nan 8.380 nan 0.000 0.451 602 G N -0.428 108.320 108.800 -0.087 0.000 2.213 602 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.226 602 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.226 602 G C -0.631 174.245 174.900 -0.039 0.000 0.992 602 G CA 0.003 45.078 45.100 -0.042 0.000 0.632 602 G HN 0.437 nan 8.290 nan 0.000 0.511 603 D N 1.756 122.119 120.400 -0.063 0.000 2.533 603 D HA 0.260 4.900 4.640 -0.000 0.000 0.236 603 D C 0.791 177.091 176.300 0.001 0.000 1.137 603 D CA 0.712 54.688 54.000 -0.041 0.000 0.867 603 D CB 0.602 41.364 40.800 -0.063 0.000 1.170 603 D HN 0.401 nan 8.370 nan 0.000 0.474 604 K N 2.209 122.614 120.400 0.008 0.000 2.276 604 K HA 0.336 4.656 4.320 -0.000 0.000 0.283 604 K C 0.044 176.677 176.600 0.055 0.000 1.044 604 K CA -0.357 55.944 56.287 0.022 0.000 0.944 604 K CB 0.880 33.386 32.500 0.009 0.000 1.012 604 K HN 0.317 nan 8.250 nan 0.000 0.472 605 I N 4.474 125.104 120.570 0.099 0.000 2.307 605 I HA 0.140 4.310 4.170 -0.000 0.000 0.289 605 I C -0.081 176.146 176.117 0.184 0.000 1.021 605 I CA -0.299 61.100 61.300 0.165 0.000 1.224 605 I CB 0.651 38.832 38.000 0.301 0.000 1.376 605 I HN 0.617 nan 8.210 nan 0.000 0.470 606 Q N 5.794 125.659 119.800 0.107 0.000 2.578 606 Q HA 0.527 4.867 4.340 -0.000 0.000 0.284 606 Q C -3.070 172.939 176.000 0.015 0.000 0.960 606 Q CA -2.188 53.662 55.803 0.078 0.000 0.809 606 Q CB 1.696 30.458 28.738 0.041 0.000 1.462 606 Q HN 0.128 nan 8.270 nan 0.000 0.392 607 P HA 0.089 nan 4.420 nan 0.000 0.262 607 P C 0.563 177.859 177.300 -0.008 0.000 1.182 607 P CA 2.027 65.092 63.100 -0.059 0.000 0.761 607 P CB 0.356 32.021 31.700 -0.058 0.000 0.795 608 G N 2.278 111.081 108.800 0.005 0.000 2.179 608 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 608 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 608 G C 0.251 175.184 174.900 0.056 0.000 0.990 608 G CA 0.037 45.160 45.100 0.039 0.000 0.646 608 G HN 0.665 nan 8.290 nan 0.000 0.517 609 I N -1.050 119.550 120.570 0.049 0.000 2.892 609 I HA 0.603 4.773 4.170 -0.000 0.000 0.287 609 I C 0.314 176.489 176.117 0.097 0.000 1.205 609 I CA -0.348 60.992 61.300 0.068 0.000 1.409 609 I CB 0.519 38.552 38.000 0.055 0.000 1.367 609 I HN -0.198 nan 8.210 nan 0.000 0.597 610 K N 3.460 123.932 120.400 0.120 0.000 2.185 610 K HA 0.259 4.579 4.320 -0.000 0.000 0.240 610 K C 0.256 176.972 176.600 0.193 0.000 0.983 610 K CA -0.753 55.633 56.287 0.165 0.000 0.873 610 K CB 1.263 33.873 32.500 0.182 0.000 1.118 610 K HN 0.741 nan 8.250 nan 0.000 0.441 611 F N 1.406 121.405 119.950 0.083 0.000 2.063 611 F HA -0.310 4.217 4.527 -0.000 0.000 0.298 611 F C 1.843 177.706 175.800 0.105 0.000 1.105 611 F CA 1.748 59.800 58.000 0.087 0.000 1.215 611 F CB -0.175 38.885 39.000 0.100 0.000 0.972 611 F HN 0.525 nan 8.300 nan 0.000 0.483 612 I N 0.969 121.716 120.570 0.294 0.000 2.454 612 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 612 I C 1.706 177.891 176.117 0.113 0.000 1.156 612 I CA 1.606 63.068 61.300 0.270 0.000 1.433 612 I CB -0.862 37.405 38.000 0.444 0.000 1.082 612 I HN 0.161 nan 8.210 nan 0.000 0.432 613 D N 0.278 120.729 120.400 0.086 0.000 2.312 613 D HA -0.028 4.612 4.640 -0.000 0.000 0.211 613 D C 1.798 178.095 176.300 -0.004 0.000 0.964 613 D CA 1.424 55.455 54.000 0.052 0.000 0.877 613 D CB -0.008 40.834 40.800 0.069 0.000 0.924 613 D HN 0.621 nan 8.370 nan 0.000 0.515 614 I N -3.152 117.389 120.570 -0.049 0.000 4.081 614 I HA 0.302 4.472 4.170 -0.000 0.000 0.333 614 I C 0.329 176.360 176.117 -0.143 0.000 1.413 614 I CA -0.330 60.928 61.300 -0.069 0.000 1.110 614 I CB 0.456 38.445 38.000 -0.019 0.000 1.082 614 I HN -0.331 nan 8.210 nan 0.000 0.402 615 R N 0.355 120.754 120.500 -0.169 0.000 2.881 615 R HA 0.301 4.641 4.340 -0.000 0.000 0.331 615 R C 0.686 176.917 176.300 -0.116 0.000 1.207 615 R CA -0.149 55.817 56.100 -0.224 0.000 1.265 615 R CB 0.599 30.796 30.300 -0.172 0.000 1.351 615 R HN 0.076 nan 8.270 nan 0.000 0.613 616 T N 0.934 115.387 114.554 -0.170 0.000 2.833 616 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 616 T C 1.498 176.118 174.700 -0.132 0.000 1.054 616 T CA 1.293 63.329 62.100 -0.107 0.000 1.135 616 T CB 0.084 68.882 68.868 -0.118 0.000 0.869 616 T HN 0.299 nan 8.240 nan 0.000 0.466 617 K N 0.014 120.253 120.400 -0.269 0.000 2.362 617 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 617 K C 1.599 178.260 176.600 0.101 0.000 1.045 617 K CA 0.929 57.087 56.287 -0.214 0.000 0.936 617 K CB -0.186 31.979 32.500 -0.559 0.000 0.747 617 K HN 0.363 nan 8.250 nan 0.000 0.467 618 Y N 1.175 121.564 120.300 0.148 0.000 2.421 618 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 618 Y C 1.825 177.665 175.900 -0.100 0.000 1.136 618 Y CA 0.716 58.977 58.100 0.267 0.000 1.255 618 Y CB -0.077 38.667 38.460 0.473 0.000 0.991 618 Y HN -0.025 nan 8.280 nan 0.000 0.552 619 R N -0.496 119.834 120.500 -0.284 0.000 2.193 619 R HA -0.134 4.206 4.340 -0.000 0.000 0.229 619 R C 1.466 177.547 176.300 -0.366 0.000 1.110 619 R CA 0.914 56.468 56.100 -0.909 0.000 0.988 619 R CB 0.015 29.924 30.300 -0.652 0.000 0.871 619 R HN 0.273 nan 8.270 nan 0.000 0.458 620 Q N 0.346 120.088 119.800 -0.097 0.000 2.403 620 Q HA 0.049 4.388 4.340 -0.000 0.000 0.203 620 Q C -0.160 175.891 176.000 0.085 0.000 0.932 620 Q CA 0.320 56.122 55.803 -0.001 0.000 0.945 620 Q CB 0.143 28.885 28.738 0.006 0.000 1.045 620 Q HN 0.293 nan 8.270 nan 0.000 0.511 621 D N 1.716 122.218 120.400 0.169 0.000 2.350 621 D HA 0.034 4.673 4.640 -0.000 0.000 0.249 621 D C -1.431 174.975 176.300 0.177 0.000 1.119 621 D CA -1.740 52.400 54.000 0.233 0.000 0.886 621 D CB 1.897 42.935 40.800 0.397 0.000 1.195 621 D HN -0.086 nan 8.370 nan 0.000 0.437 622 P HA -0.166 nan 4.420 nan 0.000 0.218 622 P C 0.512 177.682 177.300 -0.218 0.000 1.146 622 P CA 1.249 64.324 63.100 -0.042 0.000 0.813 622 P CB 0.023 31.702 31.700 -0.034 0.000 0.778 623 Y N -3.373 116.976 120.300 0.082 0.000 2.485 623 Y HA 0.122 4.672 4.550 -0.000 0.000 0.260 623 Y C 2.292 178.230 175.900 0.063 0.000 1.173 623 Y CA -0.624 57.509 58.100 0.054 0.000 1.252 623 Y CB -0.718 37.756 38.460 0.024 0.000 1.123 623 Y HN -0.141 nan 8.280 nan 0.000 0.524 624 Y N 1.365 121.708 120.300 0.071 0.000 2.097 624 Y HA -0.306 4.244 4.550 -0.000 0.000 0.282 624 Y C 1.835 177.790 175.900 0.093 0.000 1.152 624 Y CA 2.034 60.160 58.100 0.043 0.000 1.136 624 Y CB -0.180 38.325 38.460 0.074 0.000 0.975 624 Y HN 0.069 nan 8.280 nan 0.000 0.498 625 D N 0.217 120.675 120.400 0.097 0.000 2.123 625 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 625 D C 2.344 178.625 176.300 -0.031 0.000 0.992 625 D CA 1.920 55.940 54.000 0.034 0.000 0.833 625 D CB -0.437 40.401 40.800 0.063 0.000 0.954 625 D HN 0.463 nan 8.370 nan 0.000 0.455 626 I N 0.680 121.242 120.570 -0.013 0.000 2.163 626 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 626 I C 2.610 178.730 176.117 0.005 0.000 1.085 626 I CA 0.959 62.263 61.300 0.007 0.000 1.347 626 I CB -0.218 37.826 38.000 0.074 0.000 1.044 626 I HN -0.039 nan 8.210 nan 0.000 0.408 627 V N -0.643 119.270 119.914 -0.001 0.000 2.453 627 V HA -0.285 3.834 4.120 -0.000 0.000 0.247 627 V C 2.376 178.506 176.094 0.060 0.000 1.048 627 V CA 1.406 63.725 62.300 0.032 0.000 1.049 627 V CB -0.745 31.092 31.823 0.024 0.000 0.672 627 V HN 0.434 nan 8.190 nan 0.000 0.457 628 Y N 1.473 121.582 120.300 -0.318 0.000 2.145 628 Y HA -0.125 4.425 4.550 -0.000 0.000 0.286 628 Y C 2.653 178.392 175.900 -0.270 0.000 1.145 628 Y CA 2.305 60.096 58.100 -0.514 0.000 1.148 628 Y CB -0.461 37.495 38.460 -0.840 0.000 0.981 628 Y HN 0.320 nan 8.280 nan 0.000 0.507 629 Q N -0.076 119.565 119.800 -0.265 0.000 2.124 629 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 629 Q C 2.531 178.401 176.000 -0.218 0.000 0.977 629 Q CA 1.378 57.010 55.803 -0.286 0.000 0.850 629 Q CB -0.885 27.759 28.738 -0.157 0.000 0.901 629 Q HN 0.593 nan 8.270 nan 0.000 0.429 630 A N 0.225 122.980 122.820 -0.108 0.000 1.930 630 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 630 A C 1.996 179.549 177.584 -0.051 0.000 1.175 630 A CA 1.333 53.336 52.037 -0.056 0.000 0.627 630 A CB -0.817 18.191 19.000 0.012 0.000 0.815 630 A HN 0.419 nan 8.150 nan 0.000 0.443 631 Y N 0.795 121.017 120.300 -0.130 0.000 2.097 631 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 631 Y C 1.868 177.637 175.900 -0.220 0.000 1.152 631 Y CA 1.887 59.919 58.100 -0.114 0.000 1.136 631 Y CB -0.533 37.858 38.460 -0.116 0.000 0.975 631 Y HN 0.202 nan 8.280 nan 0.000 0.498 632 L N 0.122 120.937 121.223 -0.679 0.000 2.127 632 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 632 L C 2.269 178.868 176.870 -0.451 0.000 1.089 632 L CA 1.622 56.045 54.840 -0.694 0.000 0.757 632 L CB -0.470 41.224 42.059 -0.609 0.000 0.899 632 L HN 0.198 nan 8.230 nan 0.000 0.434 633 R N -0.004 120.305 120.500 -0.318 0.000 2.310 633 R HA 0.117 4.457 4.340 -0.000 0.000 0.202 633 R C 1.238 177.430 176.300 -0.181 0.000 0.933 633 R CA 0.543 56.517 56.100 -0.210 0.000 1.054 633 R CB -0.003 30.209 30.300 -0.147 0.000 0.985 633 R HN 0.401 nan 8.270 nan 0.000 0.489 634 G N 1.923 110.590 108.800 -0.222 0.000 2.249 634 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.273 634 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.273 634 G C -0.405 174.455 174.900 -0.067 0.000 1.036 634 G CA 0.314 45.330 45.100 -0.139 0.000 0.824 634 G HN 0.420 nan 8.290 nan 0.000 0.504 635 E N -0.368 119.798 120.200 -0.056 0.000 2.207 635 E HA 0.656 5.005 4.350 -0.000 0.000 0.270 635 E C 0.477 177.081 176.600 0.008 0.000 0.927 635 E CA -0.442 55.941 56.400 -0.027 0.000 0.799 635 E CB 1.577 31.252 29.700 -0.041 0.000 1.172 635 E HN 0.587 nan 8.360 nan 0.000 0.404 636 A N 3.918 126.742 122.820 0.006 0.000 2.491 636 A HA 0.241 4.561 4.320 -0.000 0.000 0.261 636 A C -2.025 175.556 177.584 -0.004 0.000 1.101 636 A CA -1.025 51.017 52.037 0.009 0.000 0.772 636 A CB -0.475 18.520 19.000 -0.008 0.000 1.043 636 A HN 0.312 nan 8.150 nan 0.000 0.501 637 P HA 0.277 nan 4.420 nan 0.000 0.275 637 P C -0.645 176.620 177.300 -0.058 0.000 1.228 637 P CA -0.130 62.968 63.100 -0.002 0.000 0.786 637 P CB 0.986 32.721 31.700 0.057 0.000 0.927 638 V N 3.879 123.758 119.914 -0.058 0.000 2.435 638 V HA 0.328 4.447 4.120 -0.000 0.000 0.290 638 V C 0.448 176.457 176.094 -0.141 0.000 1.030 638 V CA -0.406 61.839 62.300 -0.092 0.000 0.881 638 V CB 1.028 32.812 31.823 -0.065 0.000 0.983 638 V HN 0.385 nan 8.190 nan 0.000 0.445 639 L N 4.611 125.692 121.223 -0.236 0.000 2.341 639 L HA 0.622 4.962 4.340 -0.000 0.000 0.267 639 L C -0.173 176.395 176.870 -0.503 0.000 1.009 639 L CA -0.415 54.152 54.840 -0.454 0.000 0.819 639 L CB 2.103 43.749 42.059 -0.689 0.000 1.323 639 L HN 0.516 nan 8.230 nan 0.000 0.425 640 N N 1.609 119.929 118.700 -0.634 0.000 2.392 640 N HA 0.451 5.191 4.740 -0.000 0.000 0.283 640 N C -1.578 173.537 175.510 -0.658 0.000 1.003 640 N CA -0.346 52.403 53.050 -0.501 0.000 0.892 640 N CB 1.687 39.976 38.487 -0.330 0.000 1.193 640 N HN 0.454 nan 8.380 nan 0.000 0.487 641 Y N 0.054 120.156 120.300 -0.330 0.000 2.477 641 Y HA 0.274 4.824 4.550 -0.000 0.000 0.347 641 Y C -0.248 175.388 175.900 -0.440 0.000 0.981 641 Y CA -0.993 56.914 58.100 -0.322 0.000 1.033 641 Y CB 1.798 40.123 38.460 -0.225 0.000 1.245 641 Y HN 0.475 nan 8.280 nan 0.000 0.455 642 H N 1.793 120.900 119.070 0.061 0.000 2.572 642 H HA 0.355 4.911 4.556 -0.000 0.000 0.248 642 H C -0.716 174.616 175.328 0.007 0.000 1.397 642 H CA -0.778 55.294 56.048 0.040 0.000 1.319 642 H CB 0.299 30.044 29.762 -0.029 0.000 1.452 642 H HN 0.352 nan 8.280 nan 0.000 0.535 643 R N 1.564 121.989 120.500 -0.126 0.000 2.370 643 R HA 0.006 4.346 4.340 -0.000 0.000 0.309 643 R C 0.647 176.853 176.300 -0.157 0.000 1.059 643 R CA -0.264 55.612 56.100 -0.374 0.000 0.981 643 R CB 0.326 30.023 30.300 -1.005 0.000 0.972 643 R HN 0.527 nan 8.270 nan 0.000 0.437 644 F N 4.791 124.646 119.950 -0.158 0.000 2.063 644 F HA -0.342 4.185 4.527 -0.000 0.000 0.298 644 F C 1.852 177.550 175.800 -0.170 0.000 1.105 644 F CA 1.964 59.864 58.000 -0.166 0.000 1.215 644 F CB -0.100 38.791 39.000 -0.181 0.000 0.972 644 F HN 0.722 nan 8.300 nan 0.000 0.483 645 W N 0.091 121.254 121.300 -0.228 0.000 2.425 645 W HA -0.165 4.495 4.660 -0.000 0.000 0.277 645 W C 1.959 178.305 176.519 -0.289 0.000 1.231 645 W CA 1.447 58.453 57.345 -0.565 0.000 1.248 645 W CB -1.675 27.380 29.460 -0.674 0.000 1.117 645 W HN 0.262 nan 8.180 nan 0.000 0.568 646 H N 0.950 119.479 119.070 -0.901 0.000 2.321 646 H HA -0.140 4.416 4.556 -0.000 0.000 0.300 646 H C 2.286 177.409 175.328 -0.341 0.000 1.087 646 H CA 1.704 57.308 56.048 -0.739 0.000 1.319 646 H CB 0.253 29.604 29.762 -0.685 0.000 1.379 646 H HN 0.061 nan 8.280 nan 0.000 0.501 647 E N 0.532 120.605 120.200 -0.211 0.000 2.031 647 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 647 E C 2.581 179.052 176.600 -0.216 0.000 0.994 647 E CA 0.655 56.930 56.400 -0.209 0.000 0.800 647 E CB -0.542 28.930 29.700 -0.380 0.000 0.752 647 E HN 0.255 nan 8.360 nan 0.000 0.447 648 V N 2.357 122.072 119.914 -0.332 0.000 2.295 648 V HA -0.231 3.888 4.120 -0.000 0.000 0.246 648 V C 2.106 178.203 176.094 0.006 0.000 1.049 648 V CA 1.973 64.168 62.300 -0.174 0.000 1.024 648 V CB -0.528 31.193 31.823 -0.170 0.000 0.648 648 V HN 0.126 nan 8.190 nan 0.000 0.447 649 D N -0.228 120.228 120.400 0.094 0.000 2.149 649 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 649 D C 1.983 178.339 176.300 0.093 0.000 0.990 649 D CA 1.319 55.446 54.000 0.212 0.000 0.839 649 D CB -0.067 41.011 40.800 0.464 0.000 0.948 649 D HN 0.345 nan 8.370 nan 0.000 0.460 650 L N 0.799 122.050 121.223 0.048 0.000 2.005 650 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 650 L C 2.220 179.116 176.870 0.043 0.000 1.072 650 L CA 1.912 56.783 54.840 0.053 0.000 0.744 650 L CB -0.939 41.165 42.059 0.076 0.000 0.895 650 L HN -0.045 nan 8.230 nan 0.000 0.433 651 A N -0.694 122.142 122.820 0.027 0.000 1.849 651 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 651 A C 2.265 179.976 177.584 0.213 0.000 1.202 651 A CA 2.691 54.781 52.037 0.088 0.000 0.629 651 A CB -1.413 17.581 19.000 -0.009 0.000 0.834 651 A HN 0.312 nan 8.150 nan 0.000 0.447 652 V N -0.041 119.910 119.914 0.062 0.000 2.324 652 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 652 V C 3.051 179.065 176.094 -0.133 0.000 1.060 652 V CA 2.249 64.455 62.300 -0.157 0.000 1.042 652 V CB -1.421 30.033 31.823 -0.616 0.000 0.650 652 V HN 0.681 nan 8.190 nan 0.000 0.450 653 A N -0.681 122.102 122.820 -0.063 0.000 1.940 653 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 653 A C 2.218 179.765 177.584 -0.061 0.000 1.176 653 A CA 2.468 54.486 52.037 -0.032 0.000 0.631 653 A CB -0.497 18.510 19.000 0.012 0.000 0.814 653 A HN 0.541 nan 8.150 nan 0.000 0.446 654 M N -0.685 118.903 119.600 -0.020 0.000 2.086 654 M HA -0.072 4.408 4.480 -0.000 0.000 0.261 654 M C 2.354 178.634 176.300 -0.034 0.000 1.067 654 M CA 1.480 56.778 55.300 -0.004 0.000 1.116 654 M CB -0.716 31.949 32.600 0.108 0.000 1.348 654 M HN 0.472 nan 8.290 nan 0.000 0.407 655 G N -0.104 108.640 108.800 -0.094 0.000 2.469 655 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 655 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 655 G C 1.493 176.213 174.900 -0.300 0.000 1.150 655 G CA 1.163 46.046 45.100 -0.362 0.000 0.763 655 G HN 0.331 nan 8.290 nan 0.000 0.561 656 V N 0.456 120.273 119.914 -0.162 0.000 2.358 656 V HA -0.088 4.031 4.120 -0.000 0.000 0.246 656 V C 2.824 178.956 176.094 0.062 0.000 1.047 656 V CA 1.124 63.410 62.300 -0.024 0.000 1.035 656 V CB -0.388 31.483 31.823 0.079 0.000 0.658 656 V HN 0.216 nan 8.190 nan 0.000 0.452 657 L N 0.595 121.829 121.223 0.018 0.000 1.989 657 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 657 L C 2.685 179.607 176.870 0.085 0.000 1.071 657 L CA 2.411 57.292 54.840 0.068 0.000 0.749 657 L CB -1.680 40.184 42.059 -0.326 0.000 0.890 657 L HN 0.321 nan 8.230 nan 0.000 0.431 658 A N -1.779 121.041 122.820 0.000 0.000 1.948 658 A HA -0.257 4.062 4.320 -0.000 0.000 0.220 658 A C 2.352 179.818 177.584 -0.196 0.000 1.177 658 A CA 2.531 54.535 52.037 -0.055 0.000 0.636 658 A CB -0.915 18.010 19.000 -0.125 0.000 0.815 658 A HN 0.483 nan 8.150 nan 0.000 0.449 659 T N -2.094 112.257 114.554 -0.339 0.000 2.852 659 T HA 0.001 4.351 4.350 -0.000 0.000 0.256 659 T C 1.496 175.806 174.700 -0.650 0.000 1.038 659 T CA 1.518 63.257 62.100 -0.601 0.000 1.141 659 T CB -0.292 68.039 68.868 -0.894 0.000 0.869 659 T HN 0.610 nan 8.240 nan 0.000 0.439 660 Y N -0.711 119.427 120.300 -0.269 0.000 2.478 660 Y HA 0.369 4.918 4.550 -0.000 0.000 0.261 660 Y C 0.062 175.423 175.900 -0.898 0.000 1.127 660 Y CA -0.309 57.444 58.100 -0.578 0.000 1.288 660 Y CB 0.441 38.469 38.460 -0.720 0.000 1.084 660 Y HN 0.091 nan 8.280 nan 0.000 0.530 661 F N -0.292 119.694 119.950 0.059 0.000 2.708 661 F HA 0.362 4.889 4.527 -0.000 0.000 0.344 661 F C -2.321 173.501 175.800 0.036 0.000 1.447 661 F CA -2.517 55.514 58.000 0.050 0.000 1.140 661 F CB 0.860 39.895 39.000 0.058 0.000 1.657 661 F HN -0.167 nan 8.300 nan 0.000 0.598 662 P HA -0.034 nan 4.420 nan 0.000 0.233 662 P C 0.691 178.036 177.300 0.076 0.000 1.167 662 P CA 1.178 64.307 63.100 0.048 0.000 0.770 662 P CB 0.427 32.110 31.700 -0.029 0.000 0.837 663 D N -1.575 118.887 120.400 0.104 0.000 2.366 663 D HA 0.091 4.730 4.640 -0.000 0.000 0.205 663 D C 1.038 177.399 176.300 0.102 0.000 1.022 663 D CA 0.258 54.306 54.000 0.080 0.000 0.868 663 D CB -0.179 40.660 40.800 0.065 0.000 0.953 663 D HN 0.211 nan 8.370 nan 0.000 0.514 664 M N 0.506 120.211 119.600 0.175 0.000 2.252 664 M HA 0.041 4.521 4.480 -0.000 0.000 0.329 664 M C 0.440 176.852 176.300 0.186 0.000 1.101 664 M CA 0.993 56.419 55.300 0.210 0.000 1.117 664 M CB 0.712 33.482 32.600 0.284 0.000 1.563 664 M HN -0.238 nan 8.290 nan 0.000 0.445 665 T N 1.660 116.257 114.554 0.072 0.000 2.916 665 T HA 0.338 4.688 4.350 -0.000 0.000 0.305 665 T C -1.522 172.997 174.700 -0.301 0.000 1.119 665 T CA -0.569 61.421 62.100 -0.183 0.000 1.008 665 T CB 0.864 69.684 68.868 -0.080 0.000 1.129 665 T HN 0.461 nan 8.240 nan 0.000 0.480 666 Y N 2.740 122.646 120.300 -0.657 0.000 2.497 666 Y HA 0.493 5.042 4.550 -0.000 0.000 0.334 666 Y C -0.005 175.800 175.900 -0.158 0.000 1.199 666 Y CA 0.197 58.053 58.100 -0.407 0.000 1.425 666 Y CB 0.136 38.361 38.460 -0.392 0.000 1.291 666 Y HN 0.701 nan 8.280 nan 0.000 0.562 667 K N 5.632 125.497 120.400 -0.892 0.000 2.513 667 K HA 0.614 4.934 4.320 -0.000 0.000 0.251 667 K C -1.100 174.887 176.600 -1.021 0.000 0.939 667 K CA -0.384 55.462 56.287 -0.735 0.000 0.793 667 K CB 0.475 32.767 32.500 -0.346 0.000 1.241 667 K HN 1.301 nan 8.250 nan 0.000 0.431 668 V N 0.953 120.399 119.914 -0.780 0.000 2.584 668 V HA 0.296 4.416 4.120 -0.000 0.000 0.303 668 V C -1.945 173.814 176.094 -0.557 0.000 1.035 668 V CA -0.958 60.935 62.300 -0.679 0.000 1.172 668 V CB -0.287 31.227 31.823 -0.515 0.000 0.896 668 V HN 0.807 nan 8.190 nan 0.000 0.486 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.951 63.100 -0.249 0.000 0.800 669 P CB 0.000 31.660 31.700 -0.067 0.000 0.726