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 2pwg_1_A DATA FIRST_RESID 2 DATA SEQUENCE PGAPWWKSAV FYQVYPRSFK DTNGDGIGDF KGLTEKLDYL KGLGIDAIWI DATA SEQUENCE NPHYASPNTD NGYDISDYRE VMKEYGTMED FDRLMAELKK RGMRLMVDVV DATA SEQUENCE INHSSDQHEW FKSSRASKDN PYRDYYFWRD GKDGHEPNNY PSFFGGSAWE DATA SEQUENCE KDPVTGQYYL HYFGRQQPDL NWDTPKLREE LYAMLRFWLD KGVSGMRFDT DATA SEQUENCE VATYSKTPGF PDLTPEQMKN FAEAYTQGPN LHRYLQEMHE KVFDHYDAVT DATA SEQUENCE AGEIFGAPLN QVPLFIDSRR KELDMAFTFD LIRYDRALDR WHTIPRTLAD DATA SEQUENCE FRQTIDKVDA IAGEYGWNTF FLGNHDNPRA VSHFGDDRPQ WREASAKALA DATA SEQUENCE TVTLTQRGTP FIFQGDELGM TNYPFKTLQD FDDIEVKGFF QDYVETGKAT DATA SEQUENCE AEELLTNVAL TSRDNARTPF QWDDSANAGF TTGKPWLKVN PNYTEINAAR DATA SEQUENCE EIGDPKSVYS FYRNLISIRH ETPALSTGSY RDIDPSNADV YAYTRSQDGE DATA SEQUENCE TYLVVVNFKA EPRSFTLPDG MHIAETLIES SSPAAPAAGA ASLELQPWQS DATA SEQUENCE GIYKVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.282 177.300 -0.029 0.000 1.155 2 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 2 P CB 0.000 31.690 31.700 -0.017 0.000 0.726 3 G N -0.768 108.003 108.800 -0.048 0.000 2.755 3 G HA2 0.641 4.601 3.960 -0.000 0.000 0.297 3 G HA3 0.641 4.601 3.960 -0.000 0.000 0.297 3 G C -1.458 173.369 174.900 -0.123 0.000 1.441 3 G CA 0.169 45.228 45.100 -0.069 0.000 0.964 3 G HN 0.509 nan 8.290 nan 0.000 0.540 4 A N 1.998 124.709 122.820 -0.181 0.000 2.340 4 A HA 0.851 5.171 4.320 -0.000 0.000 0.268 4 A C -1.864 175.487 177.584 -0.388 0.000 1.100 4 A CA -1.041 50.800 52.037 -0.325 0.000 0.803 4 A CB -0.106 18.655 19.000 -0.398 0.000 1.043 4 A HN 0.521 nan 8.150 nan 0.000 0.488 5 P HA -0.045 nan 4.420 nan 0.000 0.268 5 P C 1.032 177.908 177.300 -0.707 0.000 1.208 5 P CA -0.244 62.380 63.100 -0.794 0.000 0.777 5 P CB 0.286 30.974 31.700 -1.686 0.000 0.875 6 W N 3.491 124.588 121.300 -0.338 0.000 2.342 6 W HA -0.150 4.510 4.660 -0.000 0.000 0.297 6 W C 1.376 177.879 176.519 -0.027 0.000 1.213 6 W CA 0.971 58.242 57.345 -0.124 0.000 1.251 6 W CB -1.480 27.996 29.460 0.028 0.000 1.136 6 W HN 0.501 nan 8.180 nan 0.000 0.526 7 W N 1.686 122.467 121.300 -0.865 0.000 2.421 7 W HA -0.002 4.658 4.660 -0.000 0.000 0.270 7 W C 1.552 177.984 176.519 -0.146 0.000 1.233 7 W CA 0.850 57.786 57.345 -0.682 0.000 1.226 7 W CB -1.403 27.487 29.460 -0.950 0.000 1.121 7 W HN -0.010 nan 8.180 nan 0.000 0.579 8 K N 1.152 121.242 120.400 -0.516 0.000 2.288 8 K HA -0.075 4.244 4.320 -0.000 0.000 0.201 8 K C 1.821 178.432 176.600 0.019 0.000 1.048 8 K CA 1.683 57.710 56.287 -0.432 0.000 0.956 8 K CB -0.119 31.666 32.500 -1.193 0.000 0.746 8 K HN 0.123 nan 8.250 nan 0.000 0.461 9 S N -0.846 114.878 115.700 0.039 0.000 2.650 9 S HA 0.340 4.810 4.470 -0.000 0.000 0.240 9 S C 0.331 175.087 174.600 0.261 0.000 1.007 9 S CA -0.756 57.532 58.200 0.148 0.000 0.984 9 S CB 0.659 63.907 63.200 0.080 0.000 0.910 9 S HN 0.155 nan 8.310 nan 0.000 0.509 10 A N 1.159 124.183 122.820 0.341 0.000 2.304 10 A HA 0.728 5.047 4.320 -0.000 0.000 0.271 10 A C -0.238 177.561 177.584 0.359 0.000 1.091 10 A CA -0.513 51.760 52.037 0.393 0.000 0.812 10 A CB 0.732 20.043 19.000 0.520 0.000 1.056 10 A HN 0.416 nan 8.150 nan 0.000 0.489 11 V N 1.853 121.924 119.914 0.263 0.000 2.409 11 V HA 0.419 4.539 4.120 -0.000 0.000 0.291 11 V C -0.917 175.256 176.094 0.132 0.000 1.020 11 V CA -0.127 62.291 62.300 0.196 0.000 0.848 11 V CB 0.645 32.518 31.823 0.083 0.000 0.990 11 V HN 0.705 nan 8.190 nan 0.000 0.430 12 F N 3.793 123.670 119.950 -0.123 0.000 2.450 12 F HA 0.613 5.140 4.527 -0.000 0.000 0.328 12 F C -0.357 175.472 175.800 0.048 0.000 1.068 12 F CA -0.646 57.234 58.000 -0.200 0.000 1.007 12 F CB 1.438 39.830 39.000 -1.012 0.000 1.251 12 F HN 0.445 nan 8.300 nan 0.000 0.492 13 Y N 1.758 122.198 120.300 0.234 0.000 2.373 13 Y HA 0.300 4.850 4.550 -0.000 0.000 0.336 13 Y C -0.755 175.291 175.900 0.243 0.000 0.979 13 Y CA -0.848 57.373 58.100 0.201 0.000 1.080 13 Y CB 1.371 39.877 38.460 0.076 0.000 1.190 13 Y HN 0.556 nan 8.280 nan 0.000 0.446 14 Q N 5.250 125.076 119.800 0.044 0.000 2.278 14 Q HA 0.596 4.935 4.340 -0.000 0.000 0.257 14 Q C -1.756 174.070 176.000 -0.290 0.000 0.928 14 Q CA -0.646 55.139 55.803 -0.031 0.000 0.932 14 Q CB 1.202 29.950 28.738 0.015 0.000 1.221 14 Q HN 0.621 nan 8.270 nan 0.000 0.434 15 V N 5.323 125.076 119.914 -0.269 0.000 2.384 15 V HA 0.154 4.274 4.120 -0.000 0.000 0.287 15 V C -1.019 174.910 176.094 -0.274 0.000 1.020 15 V CA -0.683 61.404 62.300 -0.356 0.000 0.850 15 V CB 1.039 32.582 31.823 -0.466 0.000 0.987 15 V HN 0.709 nan 8.190 nan 0.000 0.436 16 Y N 8.663 128.811 120.300 -0.253 0.000 2.676 16 Y HA 0.366 4.916 4.550 -0.000 0.000 0.338 16 Y C -1.739 174.117 175.900 -0.074 0.000 1.057 16 Y CA -2.510 55.529 58.100 -0.103 0.000 1.314 16 Y CB 1.313 39.855 38.460 0.136 0.000 1.164 16 Y HN 0.535 nan 8.280 nan 0.000 0.509 17 P HA -0.292 nan 4.420 nan 0.000 0.216 17 P C 1.504 178.631 177.300 -0.288 0.000 1.154 17 P CA 1.879 64.686 63.100 -0.489 0.000 0.865 17 P CB 0.155 31.156 31.700 -1.166 0.000 0.789 18 R N -0.339 119.965 120.500 -0.326 0.000 2.139 18 R HA -0.090 4.250 4.340 -0.000 0.000 0.243 18 R C 0.707 177.215 176.300 0.347 0.000 1.145 18 R CA 1.737 57.810 56.100 -0.045 0.000 0.976 18 R CB -0.313 29.779 30.300 -0.346 0.000 0.866 18 R HN 0.135 nan 8.270 nan 0.000 0.449 19 S N -0.721 115.282 115.700 0.504 0.000 2.754 19 S HA 0.134 4.604 4.470 -0.000 0.000 0.247 19 S C -0.031 174.843 174.600 0.456 0.000 1.031 19 S CA -0.686 57.817 58.200 0.505 0.000 1.014 19 S CB 0.322 63.854 63.200 0.553 0.000 0.918 19 S HN 0.231 nan 8.310 nan 0.000 0.519 20 F N 2.593 122.794 119.950 0.417 0.000 2.289 20 F HA 0.521 5.048 4.527 -0.000 0.000 0.280 20 F C 0.430 176.660 175.800 0.717 0.000 1.045 20 F CA 0.661 58.906 58.000 0.409 0.000 1.236 20 F CB 0.369 39.484 39.000 0.191 0.000 1.116 20 F HN -0.041 nan 8.300 nan 0.000 0.550 21 K N 0.698 121.423 120.400 0.543 0.000 2.619 21 K HA 0.209 4.528 4.320 -0.000 0.000 0.251 21 K C -2.074 174.475 176.600 -0.086 0.000 0.987 21 K CA -0.501 55.886 56.287 0.166 0.000 0.844 21 K CB 0.943 33.358 32.500 -0.141 0.000 1.237 21 K HN 0.007 nan 8.250 nan 0.000 0.447 22 D N 1.903 122.006 120.400 -0.494 0.000 2.225 22 D HA 0.235 4.875 4.640 -0.000 0.000 0.248 22 D C 0.239 176.359 176.300 -0.300 0.000 1.096 22 D CA -0.190 53.546 54.000 -0.439 0.000 0.863 22 D CB 1.495 41.862 40.800 -0.722 0.000 1.156 22 D HN 0.616 nan 8.370 nan 0.000 0.450 23 T N -0.119 114.329 114.554 -0.178 0.000 3.040 23 T HA 0.074 4.424 4.350 -0.000 0.000 0.266 23 T C 0.739 175.378 174.700 -0.102 0.000 1.005 23 T CA -0.407 61.609 62.100 -0.140 0.000 0.906 23 T CB -0.120 68.689 68.868 -0.099 0.000 1.082 23 T HN 0.403 nan 8.240 nan 0.000 0.531 24 N N 0.707 119.351 118.700 -0.093 0.000 2.240 24 N HA 0.244 4.984 4.740 -0.000 0.000 0.240 24 N C 1.359 176.832 175.510 -0.061 0.000 1.277 24 N CA 0.208 53.221 53.050 -0.063 0.000 0.873 24 N CB 0.119 38.584 38.487 -0.036 0.000 1.222 24 N HN 0.445 nan 8.380 nan 0.000 0.507 25 G N 1.939 110.687 108.800 -0.087 0.000 2.175 25 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.265 25 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.265 25 G C 0.487 175.367 174.900 -0.035 0.000 0.979 25 G CA 0.756 45.815 45.100 -0.069 0.000 0.663 25 G HN 0.638 nan 8.290 nan 0.000 0.533 26 D N -0.095 120.290 120.400 -0.025 0.000 2.349 26 D HA 0.309 4.949 4.640 -0.000 0.000 0.224 26 D C 1.865 178.199 176.300 0.056 0.000 1.029 26 D CA 0.904 54.910 54.000 0.010 0.000 0.879 26 D CB -0.664 40.139 40.800 0.005 0.000 0.906 26 D HN 1.603 nan 8.370 nan 0.000 0.528 27 G N 0.136 108.967 108.800 0.051 0.000 2.175 27 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.244 27 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.244 27 G C 0.123 175.246 174.900 0.372 0.000 0.982 27 G CA 0.201 45.414 45.100 0.189 0.000 0.641 27 G HN 0.429 nan 8.290 nan 0.000 0.527 28 I N 1.414 122.106 120.570 0.204 0.000 2.441 28 I HA 0.584 4.754 4.170 -0.000 0.000 0.295 28 I C 1.231 177.462 176.117 0.191 0.000 0.994 28 I CA -0.635 60.815 61.300 0.250 0.000 1.144 28 I CB 1.816 39.846 38.000 0.050 0.000 1.314 28 I HN 0.139 nan 8.210 nan 0.000 0.445 29 G N 3.340 112.363 108.800 0.372 0.000 2.614 29 G HA2 0.388 4.348 3.960 -0.000 0.000 0.239 29 G HA3 0.388 4.348 3.960 -0.000 0.000 0.239 29 G C -0.964 173.963 174.900 0.044 0.000 1.240 29 G CA -0.031 45.212 45.100 0.239 0.000 0.842 29 G HN 0.776 nan 8.290 nan 0.000 0.584 30 D N -1.451 118.922 120.400 -0.044 0.000 2.664 30 D HA 0.386 5.026 4.640 -0.000 0.000 0.292 30 D C 0.345 176.564 176.300 -0.134 0.000 1.214 30 D CA -0.851 53.075 54.000 -0.124 0.000 0.932 30 D CB 0.369 41.171 40.800 0.004 0.000 1.420 30 D HN 0.150 nan 8.370 nan 0.000 0.471 31 F N 0.313 120.265 119.950 0.003 0.000 2.126 31 F HA -0.010 4.517 4.527 -0.000 0.000 0.299 31 F C 2.183 177.974 175.800 -0.014 0.000 1.096 31 F CA 1.138 59.133 58.000 -0.009 0.000 1.255 31 F CB -0.568 38.466 39.000 0.056 0.000 0.997 31 F HN 0.285 nan 8.300 nan 0.000 0.479 32 K N -0.180 120.333 120.400 0.188 0.000 2.103 32 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 32 K C 2.441 179.052 176.600 0.018 0.000 1.048 32 K CA 1.184 57.515 56.287 0.075 0.000 0.930 32 K CB -0.918 31.605 32.500 0.038 0.000 0.716 32 K HN 0.391 nan 8.250 nan 0.000 0.444 33 G N 1.788 110.594 108.800 0.009 0.000 2.418 33 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 33 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 33 G C 1.466 176.392 174.900 0.042 0.000 1.158 33 G CA 0.538 45.615 45.100 -0.039 0.000 0.771 33 G HN 0.180 nan 8.290 nan 0.000 0.545 34 L N 0.979 122.296 121.223 0.156 0.000 2.027 34 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 34 L C 2.888 179.822 176.870 0.106 0.000 1.074 34 L CA 2.690 57.665 54.840 0.225 0.000 0.745 34 L CB -1.083 41.050 42.059 0.123 0.000 0.898 34 L HN 0.186 nan 8.230 nan 0.000 0.433 35 T N -0.556 114.031 114.554 0.055 0.000 2.699 35 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 35 T C 1.754 176.442 174.700 -0.019 0.000 1.036 35 T CA 1.844 63.945 62.100 0.001 0.000 1.147 35 T CB -0.347 68.514 68.868 -0.013 0.000 0.862 35 T HN 0.456 nan 8.240 nan 0.000 0.446 36 E N 0.325 120.500 120.200 -0.042 0.000 2.209 36 E HA -0.123 4.226 4.350 -0.000 0.000 0.196 36 E C 1.530 178.065 176.600 -0.109 0.000 0.993 36 E CA 0.749 57.091 56.400 -0.097 0.000 0.819 36 E CB 0.139 29.741 29.700 -0.164 0.000 0.745 36 E HN 0.229 nan 8.360 nan 0.000 0.477 37 K N 0.154 120.517 120.400 -0.061 0.000 2.397 37 K HA 0.120 4.440 4.320 -0.000 0.000 0.202 37 K C 1.600 178.279 176.600 0.132 0.000 1.022 37 K CA -0.033 56.254 56.287 0.001 0.000 1.141 37 K CB 0.412 32.921 32.500 0.015 0.000 0.857 37 K HN 0.201 nan 8.250 nan 0.000 0.514 38 L N 0.751 122.006 121.223 0.053 0.000 2.083 38 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 38 L C 1.468 178.349 176.870 0.019 0.000 1.083 38 L CA 1.243 56.095 54.840 0.021 0.000 0.752 38 L CB -0.329 41.716 42.059 -0.023 0.000 0.899 38 L HN 0.126 nan 8.230 nan 0.000 0.433 39 D N -0.782 119.637 120.400 0.032 0.000 2.178 39 D HA -0.231 4.409 4.640 -0.000 0.000 0.201 39 D C 1.862 178.209 176.300 0.079 0.000 0.980 39 D CA 1.177 55.198 54.000 0.035 0.000 0.842 39 D CB -0.145 40.673 40.800 0.030 0.000 0.948 39 D HN 0.340 nan 8.370 nan 0.000 0.472 40 Y N 1.611 121.925 120.300 0.023 0.000 2.114 40 Y HA -0.152 4.397 4.550 -0.000 0.000 0.284 40 Y C 2.167 178.116 175.900 0.081 0.000 1.143 40 Y CA 1.337 59.488 58.100 0.085 0.000 1.135 40 Y CB -0.584 37.964 38.460 0.146 0.000 0.980 40 Y HN -0.110 nan 8.280 nan 0.000 0.499 41 L N 0.193 121.304 121.223 -0.187 0.000 2.083 41 L HA -0.190 4.149 4.340 -0.000 0.000 0.209 41 L C 2.479 179.207 176.870 -0.237 0.000 1.083 41 L CA 1.808 56.425 54.840 -0.372 0.000 0.752 41 L CB -0.587 41.290 42.059 -0.304 0.000 0.899 41 L HN 0.138 nan 8.230 nan 0.000 0.433 42 K N 0.729 121.054 120.400 -0.125 0.000 2.097 42 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 42 K C 1.957 178.522 176.600 -0.058 0.000 1.050 42 K CA 1.434 57.673 56.287 -0.079 0.000 0.938 42 K CB -0.595 31.874 32.500 -0.052 0.000 0.718 42 K HN 0.194 nan 8.250 nan 0.000 0.442 43 G N 0.692 109.462 108.800 -0.049 0.000 2.432 43 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 43 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 43 G C 1.352 176.250 174.900 -0.003 0.000 1.135 43 G CA 0.861 45.965 45.100 0.007 0.000 0.767 43 G HN 0.335 nan 8.290 nan 0.000 0.550 44 L N 0.703 121.862 121.223 -0.107 0.000 2.141 44 L HA 0.265 4.605 4.340 -0.000 0.000 0.209 44 L C 1.967 178.784 176.870 -0.088 0.000 1.094 44 L CA 2.086 56.833 54.840 -0.154 0.000 0.763 44 L CB -0.210 41.688 42.059 -0.269 0.000 0.908 44 L HN 0.490 nan 8.230 nan 0.000 0.437 45 G N -1.442 107.331 108.800 -0.045 0.000 2.159 45 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.170 45 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.170 45 G C 0.096 175.056 174.900 0.100 0.000 1.007 45 G CA -0.070 45.062 45.100 0.053 0.000 0.672 45 G HN 0.146 nan 8.290 nan 0.000 0.507 46 I N 1.986 122.557 120.570 0.002 0.000 2.598 46 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 46 I C 0.852 176.960 176.117 -0.015 0.000 1.140 46 I CA 0.062 61.366 61.300 0.006 0.000 1.420 46 I CB 0.666 38.625 38.000 -0.068 0.000 1.387 46 I HN 0.071 nan 8.210 nan 0.000 0.553 47 D N 4.679 125.074 120.400 -0.009 0.000 2.240 47 D HA 0.198 4.837 4.640 -0.000 0.000 0.206 47 D C 0.639 176.814 176.300 -0.207 0.000 0.963 47 D CA 0.767 54.722 54.000 -0.075 0.000 0.863 47 D CB 0.856 41.666 40.800 0.016 0.000 0.973 47 D HN 0.648 nan 8.370 nan 0.000 0.501 48 A N 0.097 122.715 122.820 -0.336 0.000 2.606 48 A HA 0.664 4.984 4.320 -0.000 0.000 0.293 48 A C -1.452 176.007 177.584 -0.208 0.000 1.082 48 A CA -0.584 51.189 52.037 -0.439 0.000 0.685 48 A CB 1.422 19.850 19.000 -0.954 0.000 1.284 48 A HN -0.000 nan 8.150 nan 0.000 0.408 49 I N 0.654 121.264 120.570 0.068 0.000 2.545 49 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 49 I C -1.210 175.232 176.117 0.541 0.000 1.040 49 I CA -0.336 61.139 61.300 0.293 0.000 1.068 49 I CB 2.034 40.110 38.000 0.126 0.000 1.251 49 I HN 0.805 nan 8.210 nan 0.000 0.424 50 W N 9.093 130.679 121.300 0.476 0.000 2.376 50 W HA 0.668 5.327 4.660 -0.000 0.000 0.312 50 W C -1.125 175.524 176.519 0.218 0.000 1.060 50 W CA -1.621 55.974 57.345 0.416 0.000 1.221 50 W CB 0.638 30.435 29.460 0.562 0.000 1.281 50 W HN 0.318 nan 8.180 nan 0.000 0.456 51 I N 3.486 124.155 120.570 0.165 0.000 2.437 51 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 51 I C 0.111 176.141 176.117 -0.145 0.000 0.984 51 I CA -0.942 60.273 61.300 -0.142 0.000 1.214 51 I CB 1.252 39.214 38.000 -0.064 0.000 1.365 51 I HN 0.361 nan 8.210 nan 0.000 0.469 52 N N 4.895 123.401 118.700 -0.324 0.000 2.326 52 N HA 0.258 4.998 4.740 -0.000 0.000 0.239 52 N C -2.547 172.895 175.510 -0.113 0.000 1.301 52 N CA -0.715 52.218 53.050 -0.196 0.000 0.909 52 N CB -0.172 38.122 38.487 -0.320 0.000 1.156 52 N HN 0.495 nan 8.380 nan 0.000 0.462 53 P HA -0.119 nan 4.420 nan 0.000 0.259 53 P C -0.450 176.783 177.300 -0.112 0.000 1.155 53 P CA 0.944 63.950 63.100 -0.156 0.000 0.759 53 P CB 0.069 31.516 31.700 -0.421 0.000 0.753 54 H N 2.012 120.809 119.070 -0.455 0.000 2.567 54 H HA 0.209 4.764 4.556 -0.000 0.000 0.267 54 H C -0.511 174.566 175.328 -0.419 0.000 1.148 54 H CA -0.368 55.525 56.048 -0.259 0.000 1.031 54 H CB -0.535 29.174 29.762 -0.088 0.000 1.691 54 H HN 0.301 nan 8.280 nan 0.000 0.588 55 Y N 1.280 121.299 120.300 -0.468 0.000 2.458 55 Y HA 0.560 5.110 4.550 -0.000 0.000 0.322 55 Y C 0.936 176.661 175.900 -0.292 0.000 1.259 55 Y CA -0.849 57.013 58.100 -0.398 0.000 1.302 55 Y CB 0.606 38.815 38.460 -0.418 0.000 1.314 55 Y HN 0.206 nan 8.280 nan 0.000 0.509 56 A N 1.392 124.170 122.820 -0.071 0.000 2.584 56 A HA 0.373 4.693 4.320 -0.000 0.000 0.239 56 A C 0.295 177.770 177.584 -0.182 0.000 1.043 56 A CA 0.799 52.752 52.037 -0.142 0.000 0.756 56 A CB -0.445 18.473 19.000 -0.138 0.000 0.963 56 A HN 0.644 nan 8.150 nan 0.000 0.511 57 S N 2.540 118.125 115.700 -0.191 0.000 2.542 57 S HA 0.590 5.059 4.470 -0.000 0.000 0.276 57 S C -2.653 171.855 174.600 -0.153 0.000 1.148 57 S CA -0.730 57.366 58.200 -0.173 0.000 0.886 57 S CB 1.506 64.596 63.200 -0.183 0.000 1.109 57 S HN 0.311 nan 8.310 nan 0.000 0.458 58 P HA 0.206 nan 4.420 nan 0.000 0.233 58 P C -0.055 177.193 177.300 -0.087 0.000 1.167 58 P CA 0.439 63.485 63.100 -0.089 0.000 0.770 58 P CB -0.078 31.587 31.700 -0.058 0.000 0.837 59 N N -1.974 116.671 118.700 -0.092 0.000 2.776 59 N HA -0.124 4.616 4.740 -0.000 0.000 0.249 59 N C 0.818 176.311 175.510 -0.028 0.000 1.111 59 N CA 1.381 54.379 53.050 -0.087 0.000 0.711 59 N CB -1.889 36.505 38.487 -0.154 0.000 1.065 59 N HN 0.310 nan 8.380 nan 0.000 0.556 60 T N -4.065 110.493 114.554 0.006 0.000 2.962 60 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 60 T C 0.869 175.599 174.700 0.051 0.000 1.088 60 T CA 1.489 63.606 62.100 0.028 0.000 1.127 60 T CB 0.242 69.138 68.868 0.048 0.000 0.883 60 T HN 0.126 nan 8.240 nan 0.000 0.493 61 D N 0.914 121.373 120.400 0.099 0.000 2.819 61 D HA 0.176 4.816 4.640 -0.000 0.000 0.326 61 D C -0.556 175.879 176.300 0.225 0.000 1.408 61 D CA -0.618 53.487 54.000 0.176 0.000 0.811 61 D CB -0.925 40.064 40.800 0.315 0.000 1.148 61 D HN 0.018 nan 8.370 nan 0.000 0.457 62 N N 0.748 119.504 118.700 0.094 0.000 2.678 62 N HA -0.198 4.542 4.740 -0.000 0.000 0.268 62 N C 1.141 176.633 175.510 -0.031 0.000 1.010 62 N CA 1.644 54.700 53.050 0.009 0.000 0.784 62 N CB -1.080 37.465 38.487 0.097 0.000 0.905 62 N HN 0.607 nan 8.380 nan 0.000 0.552 63 G N -1.294 107.445 108.800 -0.101 0.000 2.308 63 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.221 63 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.221 63 G C 0.637 175.402 174.900 -0.225 0.000 1.032 63 G CA 0.159 45.129 45.100 -0.216 0.000 0.623 63 G HN 0.422 nan 8.290 nan 0.000 0.506 64 Y N 2.937 123.284 120.300 0.079 0.000 2.578 64 Y HA 0.240 4.789 4.550 -0.000 0.000 0.297 64 Y C 0.952 176.947 175.900 0.159 0.000 1.176 64 Y CA 0.892 59.070 58.100 0.130 0.000 1.315 64 Y CB 0.366 38.935 38.460 0.181 0.000 1.031 64 Y HN 0.427 nan 8.280 nan 0.000 0.524 65 D N 0.028 120.523 120.400 0.159 0.000 2.432 65 D HA 0.206 4.846 4.640 -0.000 0.000 0.265 65 D C -0.476 175.803 176.300 -0.035 0.000 1.160 65 D CA -0.144 53.928 54.000 0.121 0.000 0.911 65 D CB 0.194 41.068 40.800 0.122 0.000 1.052 65 D HN 0.145 nan 8.370 nan 0.000 0.508 66 I N 1.529 122.021 120.570 -0.129 0.000 2.371 66 I HA 0.021 4.190 4.170 -0.000 0.000 0.290 66 I C 1.588 177.517 176.117 -0.313 0.000 1.028 66 I CA -0.285 60.820 61.300 -0.324 0.000 1.345 66 I CB 1.476 39.067 38.000 -0.680 0.000 1.407 66 I HN 0.309 nan 8.210 nan 0.000 0.501 67 S N 2.533 118.070 115.700 -0.271 0.000 2.503 67 S HA 0.111 4.580 4.470 -0.000 0.000 0.215 67 S C 0.311 174.639 174.600 -0.452 0.000 1.003 67 S CA -0.122 57.926 58.200 -0.252 0.000 0.910 67 S CB 0.230 63.309 63.200 -0.201 0.000 0.790 67 S HN 0.709 nan 8.310 nan 0.000 0.514 68 D N -0.480 119.665 120.400 -0.426 0.000 2.764 68 D HA 0.249 4.889 4.640 -0.000 0.000 0.227 68 D C -0.910 175.226 176.300 -0.273 0.000 1.347 68 D CA -0.497 53.257 54.000 -0.410 0.000 0.953 68 D CB 0.877 41.498 40.800 -0.298 0.000 1.476 68 D HN 0.016 nan 8.370 nan 0.000 0.585 69 Y N 1.798 122.020 120.300 -0.129 0.000 2.561 69 Y HA 0.118 4.667 4.550 -0.000 0.000 0.291 69 Y C 1.972 178.001 175.900 0.214 0.000 1.141 69 Y CA 0.642 58.706 58.100 -0.061 0.000 1.303 69 Y CB 0.395 38.790 38.460 -0.107 0.000 1.015 69 Y HN 0.179 nan 8.280 nan 0.000 0.547 70 R N -0.089 120.463 120.500 0.086 0.000 2.509 70 R HA 0.154 4.494 4.340 -0.000 0.000 0.300 70 R C -0.459 175.851 176.300 0.017 0.000 0.985 70 R CA 0.134 56.112 56.100 -0.205 0.000 1.092 70 R CB 0.579 30.371 30.300 -0.847 0.000 1.237 70 R HN 0.097 nan 8.270 nan 0.000 0.546 71 E N 1.607 121.897 120.200 0.150 0.000 2.266 71 E HA 0.178 4.528 4.350 -0.000 0.000 0.268 71 E C -0.114 176.594 176.600 0.180 0.000 0.879 71 E CA -0.735 55.740 56.400 0.126 0.000 0.762 71 E CB 2.742 32.444 29.700 0.004 0.000 1.199 71 E HN -0.085 nan 8.360 nan 0.000 0.422 72 V N -0.291 119.741 119.914 0.195 0.000 3.051 72 V HA 0.269 4.388 4.120 -0.000 0.000 0.306 72 V C 0.782 176.914 176.094 0.063 0.000 1.083 72 V CA -0.768 61.643 62.300 0.185 0.000 1.104 72 V CB 0.551 32.600 31.823 0.377 0.000 1.027 72 V HN 0.803 nan 8.190 nan 0.000 0.483 73 M N 2.240 121.821 119.600 -0.032 0.000 2.246 73 M HA 0.149 4.629 4.480 -0.000 0.000 0.350 73 M C 1.301 177.487 176.300 -0.189 0.000 1.406 73 M CA 0.132 55.289 55.300 -0.238 0.000 1.089 73 M CB 0.391 32.624 32.600 -0.611 0.000 1.782 73 M HN 0.999 nan 8.290 nan 0.000 0.457 74 K N 3.049 123.351 120.400 -0.163 0.000 2.089 74 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 74 K C 1.035 177.560 176.600 -0.126 0.000 1.048 74 K CA 2.414 58.639 56.287 -0.103 0.000 0.926 74 K CB 0.171 32.610 32.500 -0.102 0.000 0.714 74 K HN 0.740 nan 8.250 nan 0.000 0.448 75 E N -0.664 119.378 120.200 -0.263 0.000 2.204 75 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 75 E C 1.487 178.024 176.600 -0.106 0.000 0.989 75 E CA 1.067 57.327 56.400 -0.233 0.000 0.824 75 E CB -0.080 29.402 29.700 -0.362 0.000 0.756 75 E HN 0.407 nan 8.360 nan 0.000 0.477 76 Y N -0.920 119.242 120.300 -0.230 0.000 2.517 76 Y HA 0.331 4.881 4.550 -0.000 0.000 0.281 76 Y C 1.443 177.276 175.900 -0.113 0.000 1.125 76 Y CA 0.575 58.415 58.100 -0.435 0.000 1.283 76 Y CB 0.056 37.873 38.460 -1.072 0.000 1.042 76 Y HN 0.049 nan 8.280 nan 0.000 0.547 77 G N -0.547 108.399 108.800 0.243 0.000 2.240 77 G HA2 0.130 4.090 3.960 -0.000 0.000 0.199 77 G HA3 0.130 4.090 3.960 -0.000 0.000 0.199 77 G C -0.536 174.542 174.900 0.296 0.000 1.342 77 G CA -0.398 44.892 45.100 0.318 0.000 1.145 77 G HN 0.255 nan 8.290 nan 0.000 0.477 78 T N -2.546 112.177 114.554 0.282 0.000 2.927 78 T HA 0.545 4.895 4.350 -0.000 0.000 0.286 78 T C 1.339 176.163 174.700 0.207 0.000 1.040 78 T CA 0.442 62.661 62.100 0.198 0.000 1.010 78 T CB 1.764 70.705 68.868 0.122 0.000 1.177 78 T HN 1.024 nan 8.240 nan 0.000 0.546 79 M N 0.464 120.168 119.600 0.173 0.000 2.213 79 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 79 M C 2.076 178.468 176.300 0.153 0.000 1.062 79 M CA 1.648 57.062 55.300 0.189 0.000 1.105 79 M CB -1.049 31.642 32.600 0.152 0.000 1.385 79 M HN 0.866 nan 8.290 nan 0.000 0.417 80 E N -0.289 119.971 120.200 0.100 0.000 2.077 80 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 80 E C 1.341 177.956 176.600 0.025 0.000 0.989 80 E CA 1.618 58.052 56.400 0.056 0.000 0.800 80 E CB -0.142 29.585 29.700 0.045 0.000 0.746 80 E HN 0.557 nan 8.360 nan 0.000 0.452 81 D N -0.046 120.381 120.400 0.044 0.000 2.117 81 D HA -0.152 4.487 4.640 -0.000 0.000 0.198 81 D C 1.744 177.927 176.300 -0.194 0.000 0.982 81 D CA 0.680 54.680 54.000 0.000 0.000 0.828 81 D CB -0.436 40.454 40.800 0.150 0.000 0.967 81 D HN 0.199 nan 8.370 nan 0.000 0.464 82 F N 2.300 121.976 119.950 -0.456 0.000 2.102 82 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 82 F C 1.780 177.397 175.800 -0.304 0.000 1.105 82 F CA 1.416 59.017 58.000 -0.664 0.000 1.239 82 F CB -0.075 38.660 39.000 -0.442 0.000 0.991 82 F HN -0.208 nan 8.300 nan 0.000 0.474 83 D N 0.017 120.350 120.400 -0.112 0.000 2.123 83 D HA -0.220 4.419 4.640 -0.000 0.000 0.196 83 D C 2.350 178.523 176.300 -0.212 0.000 0.992 83 D CA 1.434 55.349 54.000 -0.141 0.000 0.833 83 D CB -0.514 40.279 40.800 -0.012 0.000 0.954 83 D HN 0.315 nan 8.370 nan 0.000 0.455 84 R N 0.254 120.652 120.500 -0.169 0.000 2.081 84 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 84 R C 2.328 178.511 176.300 -0.194 0.000 1.131 84 R CA 0.803 56.818 56.100 -0.141 0.000 0.960 84 R CB -0.408 29.839 30.300 -0.090 0.000 0.856 84 R HN 0.137 nan 8.270 nan 0.000 0.436 85 L N 0.521 121.574 121.223 -0.283 0.000 2.012 85 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 85 L C 2.061 178.734 176.870 -0.329 0.000 1.073 85 L CA 1.874 56.535 54.840 -0.298 0.000 0.748 85 L CB -0.438 41.378 42.059 -0.404 0.000 0.891 85 L HN 0.252 nan 8.230 nan 0.000 0.431 86 M N -0.231 119.087 119.600 -0.470 0.000 2.073 86 M HA -0.220 4.259 4.480 -0.000 0.000 0.258 86 M C 2.461 178.635 176.300 -0.211 0.000 1.070 86 M CA 2.120 57.200 55.300 -0.368 0.000 1.103 86 M CB -1.748 30.624 32.600 -0.380 0.000 1.321 86 M HN 0.514 nan 8.290 nan 0.000 0.405 87 A N -0.154 122.560 122.820 -0.177 0.000 1.877 87 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 87 A C 2.048 179.568 177.584 -0.107 0.000 1.186 87 A CA 1.518 53.483 52.037 -0.119 0.000 0.620 87 A CB -0.565 18.377 19.000 -0.097 0.000 0.822 87 A HN 0.456 nan 8.150 nan 0.000 0.443 88 E N -0.047 120.085 120.200 -0.114 0.000 2.153 88 E HA -0.117 4.232 4.350 -0.000 0.000 0.194 88 E C 2.020 178.563 176.600 -0.094 0.000 0.988 88 E CA 0.712 57.056 56.400 -0.093 0.000 0.811 88 E CB -0.382 29.266 29.700 -0.086 0.000 0.746 88 E HN 0.685 nan 8.360 nan 0.000 0.466 89 L N 0.542 121.695 121.223 -0.116 0.000 2.056 89 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 89 L C 2.657 179.463 176.870 -0.106 0.000 1.078 89 L CA 1.207 55.979 54.840 -0.112 0.000 0.749 89 L CB -0.285 41.696 42.059 -0.130 0.000 0.901 89 L HN 0.058 nan 8.230 nan 0.000 0.433 90 K N 0.432 120.768 120.400 -0.105 0.000 2.097 90 K HA -0.192 4.127 4.320 -0.000 0.000 0.206 90 K C 2.105 178.654 176.600 -0.084 0.000 1.049 90 K CA 1.278 57.508 56.287 -0.095 0.000 0.933 90 K CB 0.097 32.546 32.500 -0.085 0.000 0.717 90 K HN 0.146 nan 8.250 nan 0.000 0.442 91 K N 0.112 120.466 120.400 -0.076 0.000 2.152 91 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 91 K C 1.659 178.220 176.600 -0.065 0.000 1.048 91 K CA 1.375 57.623 56.287 -0.064 0.000 0.933 91 K CB -0.006 32.459 32.500 -0.059 0.000 0.721 91 K HN 0.142 nan 8.250 nan 0.000 0.447 92 R N -0.336 120.120 120.500 -0.073 0.000 2.388 92 R HA 0.078 4.418 4.340 -0.000 0.000 0.247 92 R C 0.580 176.828 176.300 -0.087 0.000 0.931 92 R CA 0.341 56.398 56.100 -0.072 0.000 1.082 92 R CB 0.603 30.862 30.300 -0.069 0.000 1.135 92 R HN 0.268 nan 8.270 nan 0.000 0.525 93 G N 1.749 110.491 108.800 -0.097 0.000 2.283 93 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.280 93 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.280 93 G C 0.047 174.858 174.900 -0.148 0.000 1.029 93 G CA 0.451 45.480 45.100 -0.119 0.000 0.840 93 G HN 0.223 nan 8.290 nan 0.000 0.505 94 M N -0.990 118.526 119.600 -0.140 0.000 2.598 94 M HA 0.606 5.086 4.480 -0.000 0.000 0.317 94 M C 0.818 177.016 176.300 -0.170 0.000 1.201 94 M CA -0.621 54.586 55.300 -0.156 0.000 0.971 94 M CB 1.585 34.112 32.600 -0.123 0.000 1.657 94 M HN 0.138 nan 8.290 nan 0.000 0.470 95 R N 0.902 121.288 120.500 -0.190 0.000 2.732 95 R HA 0.733 5.072 4.340 -0.000 0.000 0.278 95 R C -1.566 174.729 176.300 -0.007 0.000 0.976 95 R CA -1.028 54.986 56.100 -0.143 0.000 0.963 95 R CB 1.914 32.043 30.300 -0.285 0.000 1.150 95 R HN 0.433 nan 8.270 nan 0.000 0.478 96 L N 2.426 123.694 121.223 0.075 0.000 2.341 96 L HA 0.518 4.858 4.340 -0.000 0.000 0.278 96 L C -0.912 176.136 176.870 0.297 0.000 1.005 96 L CA -0.323 54.609 54.840 0.152 0.000 0.818 96 L CB 1.756 43.847 42.059 0.054 0.000 1.259 96 L HN 0.639 nan 8.230 nan 0.000 0.418 97 M N 6.584 126.429 119.600 0.408 0.000 2.181 97 M HA 0.630 5.110 4.480 -0.000 0.000 0.323 97 M C -1.310 175.232 176.300 0.403 0.000 1.004 97 M CA -0.792 54.780 55.300 0.453 0.000 0.941 97 M CB 1.429 34.411 32.600 0.637 0.000 1.579 97 M HN 0.514 nan 8.290 nan 0.000 0.427 98 V N 1.019 121.103 119.914 0.283 0.000 2.834 98 V HA 0.624 4.744 4.120 -0.000 0.000 0.313 98 V C -0.473 175.745 176.094 0.207 0.000 1.060 98 V CA -0.739 61.714 62.300 0.254 0.000 0.989 98 V CB 1.685 33.616 31.823 0.179 0.000 1.041 98 V HN 0.757 nan 8.190 nan 0.000 0.459 99 D N 1.159 121.726 120.400 0.279 0.000 2.256 99 D HA 0.531 5.171 4.640 -0.000 0.000 0.250 99 D C -0.790 175.583 176.300 0.121 0.000 1.093 99 D CA 0.060 54.176 54.000 0.194 0.000 0.882 99 D CB 1.822 42.820 40.800 0.329 0.000 1.185 99 D HN 0.533 nan 8.370 nan 0.000 0.437 100 V N 3.638 123.503 119.914 -0.082 0.000 2.378 100 V HA 0.246 4.366 4.120 -0.000 0.000 0.288 100 V C 0.055 176.170 176.094 0.035 0.000 1.016 100 V CA -0.806 61.413 62.300 -0.134 0.000 0.840 100 V CB 1.771 33.299 31.823 -0.491 0.000 0.994 100 V HN 0.287 nan 8.190 nan 0.000 0.431 101 V N 7.116 127.070 119.914 0.067 0.000 2.257 101 V HA 0.374 4.494 4.120 -0.000 0.000 0.269 101 V C 0.544 176.707 176.094 0.115 0.000 1.040 101 V CA -0.063 62.306 62.300 0.116 0.000 0.813 101 V CB 0.624 32.492 31.823 0.075 0.000 1.065 101 V HN 0.869 nan 8.190 nan 0.000 0.457 102 I N 0.151 120.831 120.570 0.184 0.000 3.658 102 I HA 0.433 4.603 4.170 -0.000 0.000 0.328 102 I C 1.108 177.343 176.117 0.195 0.000 1.567 102 I CA -0.033 61.347 61.300 0.134 0.000 1.078 102 I CB 0.130 38.195 38.000 0.108 0.000 1.267 102 I HN 0.442 nan 8.210 nan 0.000 0.495 103 N N 1.518 120.371 118.700 0.256 0.000 2.395 103 N HA -0.014 4.726 4.740 -0.000 0.000 0.175 103 N C 0.431 176.216 175.510 0.457 0.000 1.029 103 N CA 0.719 54.063 53.050 0.489 0.000 0.897 103 N CB 0.309 39.247 38.487 0.752 0.000 0.991 103 N HN 0.643 nan 8.380 nan 0.000 0.441 104 H N -2.824 116.457 119.070 0.350 0.000 3.017 104 H HA 0.479 5.035 4.556 -0.000 0.000 0.346 104 H C -1.299 174.205 175.328 0.294 0.000 1.286 104 H CA -0.855 55.381 56.048 0.313 0.000 1.120 104 H CB 0.731 30.685 29.762 0.321 0.000 1.860 104 H HN 0.072 nan 8.280 nan 0.000 0.542 105 S N 0.238 116.153 115.700 0.358 0.000 2.745 105 S HA 0.492 4.962 4.470 -0.000 0.000 0.306 105 S C -0.108 174.586 174.600 0.156 0.000 1.137 105 S CA -0.539 57.796 58.200 0.224 0.000 0.900 105 S CB 1.940 65.281 63.200 0.236 0.000 1.176 105 S HN 0.807 nan 8.310 nan 0.000 0.520 106 S N -0.075 115.653 115.700 0.047 0.000 2.603 106 S HA 0.191 4.660 4.470 -0.000 0.000 0.268 106 S C 0.668 175.199 174.600 -0.116 0.000 1.317 106 S CA 0.054 58.246 58.200 -0.014 0.000 1.012 106 S CB 0.143 63.319 63.200 -0.040 0.000 0.926 106 S HN 0.795 nan 8.310 nan 0.000 0.539 107 D N 1.754 122.007 120.400 -0.245 0.000 2.363 107 D HA -0.022 4.618 4.640 -0.000 0.000 0.226 107 D C 0.846 177.144 176.300 -0.002 0.000 1.020 107 D CA 0.472 54.205 54.000 -0.444 0.000 0.892 107 D CB -0.041 40.468 40.800 -0.485 0.000 0.900 107 D HN 0.445 nan 8.370 nan 0.000 0.531 108 Q N -0.189 119.608 119.800 -0.006 0.000 2.319 108 Q HA 0.023 4.362 4.340 -0.000 0.000 0.202 108 Q C 0.220 176.215 176.000 -0.008 0.000 0.896 108 Q CA -0.107 55.699 55.803 0.005 0.000 0.942 108 Q CB -0.096 28.617 28.738 -0.042 0.000 1.083 108 Q HN 0.539 nan 8.270 nan 0.000 0.510 109 H N 1.725 120.763 119.070 -0.053 0.000 2.652 109 H HA 0.032 4.588 4.556 -0.000 0.000 0.349 109 H C 0.849 176.146 175.328 -0.053 0.000 1.099 109 H CA 0.343 56.324 56.048 -0.112 0.000 1.417 109 H CB 1.119 30.820 29.762 -0.101 0.000 1.457 109 H HN -0.032 nan 8.280 nan 0.000 0.568 110 E N 3.780 123.842 120.200 -0.231 0.000 2.130 110 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 110 E C 2.000 178.671 176.600 0.118 0.000 0.998 110 E CA 0.930 57.273 56.400 -0.096 0.000 0.806 110 E CB -0.120 29.441 29.700 -0.231 0.000 0.738 110 E HN 0.707 nan 8.360 nan 0.000 0.459 111 W N -0.117 121.393 121.300 0.350 0.000 2.350 111 W HA -0.135 4.525 4.660 -0.000 0.000 0.289 111 W C 2.206 178.873 176.519 0.247 0.000 1.215 111 W CA 0.277 57.681 57.345 0.099 0.000 1.236 111 W CB -1.300 28.374 29.460 0.358 0.000 1.130 111 W HN 0.075 nan 8.180 nan 0.000 0.541 112 F N 1.286 121.424 119.950 0.312 0.000 2.187 112 F HA -0.045 4.482 4.527 -0.000 0.000 0.295 112 F C 2.196 177.962 175.800 -0.057 0.000 1.091 112 F CA 1.495 59.422 58.000 -0.122 0.000 1.308 112 F CB -0.378 38.392 39.000 -0.384 0.000 1.030 112 F HN -0.280 nan 8.300 nan 0.000 0.487 113 K N -0.171 120.227 120.400 -0.003 0.000 2.032 113 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 113 K C 2.222 178.728 176.600 -0.156 0.000 1.048 113 K CA 1.807 58.036 56.287 -0.096 0.000 0.927 113 K CB -0.498 31.979 32.500 -0.039 0.000 0.712 113 K HN 0.177 nan 8.250 nan 0.000 0.441 114 S N 0.745 116.370 115.700 -0.125 0.000 2.348 114 S HA -0.171 4.299 4.470 -0.000 0.000 0.221 114 S C 2.118 176.667 174.600 -0.084 0.000 1.033 114 S CA 1.503 59.633 58.200 -0.116 0.000 1.010 114 S CB -0.370 62.686 63.200 -0.240 0.000 0.891 114 S HN 0.348 nan 8.310 nan 0.000 0.442 115 S N 1.975 117.656 115.700 -0.031 0.000 2.387 115 S HA -0.221 4.249 4.470 -0.000 0.000 0.230 115 S C 2.006 176.458 174.600 -0.247 0.000 1.035 115 S CA 1.713 59.929 58.200 0.026 0.000 1.014 115 S CB -0.324 63.071 63.200 0.326 0.000 0.836 115 S HN 0.652 nan 8.310 nan 0.000 0.466 116 R N 0.442 120.682 120.500 -0.434 0.000 2.240 116 R HA 0.304 4.644 4.340 -0.000 0.000 0.203 116 R C 2.247 178.292 176.300 -0.425 0.000 1.011 116 R CA 0.973 56.735 56.100 -0.563 0.000 1.007 116 R CB -0.649 29.313 30.300 -0.565 0.000 0.911 116 R HN 0.343 nan 8.270 nan 0.000 0.468 117 A N 1.385 124.034 122.820 -0.286 0.000 1.940 117 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 117 A C 1.172 178.635 177.584 -0.203 0.000 1.176 117 A CA 1.481 53.399 52.037 -0.199 0.000 0.631 117 A CB -0.207 18.712 19.000 -0.135 0.000 0.814 117 A HN 0.661 nan 8.150 nan 0.000 0.446 118 S N -3.695 111.861 115.700 -0.240 0.000 2.643 118 S HA 0.502 4.972 4.470 -0.000 0.000 0.270 118 S C -0.071 174.371 174.600 -0.264 0.000 1.166 118 S CA -0.408 57.664 58.200 -0.213 0.000 0.815 118 S CB 1.067 64.186 63.200 -0.134 0.000 1.139 118 S HN 0.153 nan 8.310 nan 0.000 0.472 119 K N 0.288 120.564 120.400 -0.207 0.000 2.365 119 K HA 0.054 4.374 4.320 -0.000 0.000 0.197 119 K C 0.214 176.744 176.600 -0.117 0.000 1.042 119 K CA 1.132 57.306 56.287 -0.188 0.000 0.987 119 K CB -0.116 32.310 32.500 -0.123 0.000 0.779 119 K HN 0.745 nan 8.250 nan 0.000 0.484 120 D N 0.199 120.541 120.400 -0.098 0.000 2.462 120 D HA -0.040 4.600 4.640 -0.000 0.000 0.221 120 D C -0.318 175.944 176.300 -0.063 0.000 1.173 120 D CA -0.425 53.536 54.000 -0.066 0.000 0.831 120 D CB -0.612 40.157 40.800 -0.052 0.000 1.001 120 D HN 0.142 nan 8.370 nan 0.000 0.499 121 N N 0.411 119.069 118.700 -0.070 0.000 2.463 121 N HA 0.242 4.982 4.740 -0.000 0.000 0.270 121 N C -1.621 173.842 175.510 -0.079 0.000 1.205 121 N CA -1.295 51.725 53.050 -0.050 0.000 0.974 121 N CB 0.684 39.162 38.487 -0.015 0.000 1.197 121 N HN -0.300 nan 8.380 nan 0.000 0.504 122 P HA -0.088 nan 4.420 nan 0.000 0.239 122 P C -0.405 176.537 177.300 -0.596 0.000 1.184 122 P CA 1.071 63.977 63.100 -0.324 0.000 0.760 122 P CB -0.131 31.340 31.700 -0.382 0.000 0.884 123 Y N -1.391 118.766 120.300 -0.239 0.000 2.481 123 Y HA 0.260 4.810 4.550 -0.000 0.000 0.247 123 Y C 2.429 178.308 175.900 -0.035 0.000 1.151 123 Y CA -0.453 57.402 58.100 -0.409 0.000 1.238 123 Y CB -0.082 38.117 38.460 -0.435 0.000 1.179 123 Y HN -0.234 nan 8.280 nan 0.000 0.524 124 R N 1.910 122.467 120.500 0.096 0.000 2.096 124 R HA -0.185 4.154 4.340 -0.000 0.000 0.240 124 R C 0.948 177.462 176.300 0.358 0.000 1.139 124 R CA 2.362 58.565 56.100 0.172 0.000 0.952 124 R CB -0.701 29.622 30.300 0.038 0.000 0.854 124 R HN 0.439 nan 8.270 nan 0.000 0.436 125 D N -1.372 119.164 120.400 0.226 0.000 2.323 125 D HA -0.093 4.546 4.640 -0.000 0.000 0.239 125 D C 0.574 176.936 176.300 0.102 0.000 1.129 125 D CA 0.170 54.271 54.000 0.169 0.000 0.865 125 D CB -0.435 40.410 40.800 0.074 0.000 0.913 125 D HN 0.251 nan 8.370 nan 0.000 0.517 126 Y N -0.452 119.805 120.300 -0.072 0.000 2.511 126 Y HA 0.185 4.734 4.550 -0.000 0.000 0.279 126 Y C -0.208 175.275 175.900 -0.695 0.000 1.157 126 Y CA -0.151 57.718 58.100 -0.386 0.000 1.300 126 Y CB -0.101 38.184 38.460 -0.290 0.000 1.052 126 Y HN -0.043 nan 8.280 nan 0.000 0.529 127 Y N -2.757 117.604 120.300 0.100 0.000 2.669 127 Y HA 0.441 4.991 4.550 -0.000 0.000 0.335 127 Y C -1.207 174.577 175.900 -0.193 0.000 1.116 127 Y CA -2.112 55.973 58.100 -0.025 0.000 1.081 127 Y CB 0.693 39.271 38.460 0.197 0.000 1.297 127 Y HN -0.389 nan 8.280 nan 0.000 0.484 128 F N 0.871 120.953 119.950 0.220 0.000 2.334 128 F HA 0.322 4.849 4.527 -0.000 0.000 0.367 128 F C -1.084 174.786 175.800 0.116 0.000 1.115 128 F CA -0.795 57.350 58.000 0.241 0.000 1.116 128 F CB 0.341 39.503 39.000 0.269 0.000 1.230 128 F HN 0.223 nan 8.300 nan 0.000 0.484 129 W N 4.767 126.399 121.300 0.554 0.000 2.417 129 W HA 0.694 5.354 4.660 -0.000 0.000 0.315 129 W C -0.087 176.630 176.519 0.330 0.000 1.045 129 W CA -0.695 56.913 57.345 0.438 0.000 1.221 129 W CB 1.220 30.858 29.460 0.297 0.000 1.309 129 W HN 0.174 nan 8.180 nan 0.000 0.453 130 R N 1.640 122.392 120.500 0.419 0.000 2.808 130 R HA 0.304 4.644 4.340 -0.000 0.000 0.272 130 R C -0.878 175.490 176.300 0.113 0.000 0.995 130 R CA -1.043 55.143 56.100 0.143 0.000 0.917 130 R CB 1.585 31.756 30.300 -0.214 0.000 1.217 130 R HN 0.419 nan 8.270 nan 0.000 0.471 131 D N 0.328 120.764 120.400 0.059 0.000 2.341 131 D HA 0.253 4.893 4.640 -0.000 0.000 0.245 131 D C 0.681 176.957 176.300 -0.040 0.000 1.106 131 D CA 0.178 54.228 54.000 0.084 0.000 0.905 131 D CB 1.163 41.992 40.800 0.049 0.000 1.202 131 D HN 0.560 nan 8.370 nan 0.000 0.426 132 G N -0.279 108.569 108.800 0.080 0.000 2.653 132 G HA2 0.517 4.477 3.960 -0.000 0.000 0.265 132 G HA3 0.517 4.477 3.960 -0.000 0.000 0.265 132 G C -0.371 174.437 174.900 -0.153 0.000 1.237 132 G CA -0.280 44.697 45.100 -0.205 0.000 0.946 132 G HN 0.615 nan 8.290 nan 0.000 0.522 133 K N -1.947 118.333 120.400 -0.200 0.000 2.464 133 K HA 0.693 5.012 4.320 -0.000 0.000 0.253 133 K C 0.199 176.742 176.600 -0.095 0.000 0.933 133 K CA 0.687 56.898 56.287 -0.127 0.000 0.801 133 K CB 0.553 32.963 32.500 -0.149 0.000 1.271 133 K HN 2.231 nan 8.250 nan 0.000 0.430 134 D N -0.308 120.059 120.400 -0.055 0.000 2.772 134 D HA 0.214 4.854 4.640 -0.000 0.000 0.233 134 D C 1.916 178.201 176.300 -0.026 0.000 1.143 134 D CA 2.359 56.336 54.000 -0.038 0.000 0.700 134 D CB -1.993 38.780 40.800 -0.045 0.000 1.076 134 D HN 2.534 nan 8.370 nan 0.000 0.430 135 G N -3.969 104.825 108.800 -0.010 0.000 2.189 135 G HA2 0.282 4.241 3.960 -0.000 0.000 0.267 135 G HA3 0.282 4.241 3.960 -0.000 0.000 0.267 135 G C 0.608 175.520 174.900 0.021 0.000 0.975 135 G CA 2.109 47.218 45.100 0.016 0.000 0.644 135 G HN 2.551 nan 8.290 nan 0.000 0.537 136 H N -0.715 118.334 119.070 -0.035 0.000 3.065 136 H HA 0.888 5.444 4.556 -0.000 0.000 0.279 136 H C 0.573 175.739 175.328 -0.270 0.000 1.594 136 H CA 0.350 56.350 56.048 -0.079 0.000 1.547 136 H CB 0.218 29.926 29.762 -0.090 0.000 1.771 136 H HN 0.441 nan 8.280 nan 0.000 0.871 137 E N 0.343 120.286 120.200 -0.429 0.000 2.451 137 E HA 0.125 4.475 4.350 -0.000 0.000 0.256 137 E C -1.500 174.587 176.600 -0.855 0.000 1.294 137 E CA -0.771 55.063 56.400 -0.943 0.000 1.005 137 E CB 0.241 29.610 29.700 -0.552 0.000 0.990 137 E HN 0.552 nan 8.360 nan 0.000 0.505 138 P HA -0.080 nan 4.420 nan 0.000 0.217 138 P C -0.566 176.347 177.300 -0.645 0.000 1.150 138 P CA 1.484 63.980 63.100 -1.007 0.000 0.832 138 P CB 0.213 30.913 31.700 -1.667 0.000 0.787 139 N N -2.982 115.376 118.700 -0.571 0.000 3.364 139 N HA 0.038 4.777 4.740 -0.000 0.000 0.294 139 N C -0.490 174.969 175.510 -0.084 0.000 1.562 139 N CA -0.730 52.166 53.050 -0.256 0.000 0.862 139 N CB -0.769 37.566 38.487 -0.253 0.000 1.691 139 N HN -0.287 nan 8.380 nan 0.000 0.572 140 N N -1.503 117.204 118.700 0.012 0.000 2.362 140 N HA 0.050 4.790 4.740 -0.000 0.000 0.204 140 N C -0.784 174.823 175.510 0.162 0.000 1.166 140 N CA -0.200 52.888 53.050 0.063 0.000 0.831 140 N CB -0.572 37.935 38.487 0.033 0.000 1.008 140 N HN 0.400 nan 8.380 nan 0.000 0.472 141 Y N 2.429 122.769 120.300 0.066 0.000 2.729 141 Y HA 0.136 4.686 4.550 -0.000 0.000 0.331 141 Y C -1.827 173.941 175.900 -0.220 0.000 1.208 141 Y CA -2.263 55.829 58.100 -0.013 0.000 1.521 141 Y CB -0.141 38.326 38.460 0.011 0.000 1.233 141 Y HN 0.210 nan 8.280 nan 0.000 0.539 142 P HA 0.212 nan 4.420 nan 0.000 0.285 142 P C -0.691 176.181 177.300 -0.713 0.000 1.269 142 P CA -0.650 62.097 63.100 -0.588 0.000 0.844 142 P CB 2.130 33.284 31.700 -0.909 0.000 1.094 143 S N 0.593 115.984 115.700 -0.515 0.000 2.565 143 S HA 0.369 4.838 4.470 -0.000 0.000 0.290 143 S C 0.807 175.207 174.600 -0.334 0.000 1.150 143 S CA -0.547 57.385 58.200 -0.447 0.000 1.058 143 S CB -0.046 62.988 63.200 -0.277 0.000 1.032 143 S HN 0.204 nan 8.310 nan 0.000 0.510 144 F N 2.146 121.997 119.950 -0.164 0.000 2.333 144 F HA 0.138 4.665 4.527 -0.000 0.000 0.300 144 F C 0.981 176.887 175.800 0.177 0.000 1.083 144 F CA 0.757 58.751 58.000 -0.009 0.000 1.395 144 F CB -0.124 38.677 39.000 -0.332 0.000 1.056 144 F HN 0.536 nan 8.300 nan 0.000 0.529 145 F N 0.227 120.308 119.950 0.218 0.000 2.684 145 F HA 0.545 5.072 4.527 -0.000 0.000 0.298 145 F C 0.892 176.740 175.800 0.080 0.000 1.120 145 F CA -0.683 57.395 58.000 0.131 0.000 1.332 145 F CB -0.260 38.842 39.000 0.170 0.000 0.986 145 F HN -0.100 nan 8.300 nan 0.000 0.524 146 G N -0.675 108.267 108.800 0.236 0.000 3.014 146 G HA2 0.470 4.430 3.960 -0.000 0.000 0.683 146 G HA3 0.470 4.430 3.960 -0.000 0.000 0.683 146 G C 0.108 175.061 174.900 0.089 0.000 1.271 146 G CA -0.376 44.813 45.100 0.149 0.000 0.843 146 G HN 0.895 nan 8.290 nan 0.000 0.612 147 G N 0.391 109.209 108.800 0.030 0.000 2.598 147 G HA2 0.183 4.143 3.960 -0.000 0.000 0.269 147 G HA3 0.183 4.143 3.960 -0.000 0.000 0.269 147 G C 0.920 175.789 174.900 -0.052 0.000 1.289 147 G CA 0.912 46.014 45.100 0.002 0.000 0.926 147 G HN 2.383 nan 8.290 nan 0.000 0.567 148 S N -0.267 115.423 115.700 -0.016 0.000 2.585 148 S HA 0.528 4.997 4.470 -0.000 0.000 0.273 148 S C 1.509 176.013 174.600 -0.160 0.000 1.339 148 S CA 0.765 58.938 58.200 -0.044 0.000 1.028 148 S CB 1.034 64.267 63.200 0.056 0.000 0.906 148 S HN 2.102 nan 8.310 nan 0.000 0.528 149 A N 3.589 126.205 122.820 -0.340 0.000 2.251 149 A HA 0.270 4.590 4.320 -0.000 0.000 0.209 149 A C -0.252 176.817 177.584 -0.859 0.000 1.187 149 A CA -0.417 51.123 52.037 -0.827 0.000 0.823 149 A CB -0.218 18.402 19.000 -0.633 0.000 0.846 149 A HN 0.775 nan 8.150 nan 0.000 0.486 150 W N -0.557 120.633 121.300 -0.184 0.000 2.587 150 W HA 0.584 5.244 4.660 -0.000 0.000 0.324 150 W C -0.105 176.461 176.519 0.078 0.000 1.040 150 W CA -0.572 56.724 57.345 -0.080 0.000 1.222 150 W CB 1.156 30.489 29.460 -0.210 0.000 1.381 150 W HN 0.151 nan 8.180 nan 0.000 0.483 151 E N 3.313 123.585 120.200 0.120 0.000 2.191 151 E HA 0.280 4.630 4.350 -0.000 0.000 0.263 151 E C -0.943 175.596 176.600 -0.101 0.000 0.881 151 E CA -0.851 55.474 56.400 -0.124 0.000 0.757 151 E CB 1.128 30.405 29.700 -0.705 0.000 1.147 151 E HN 0.292 nan 8.360 nan 0.000 0.414 152 K N 2.990 123.326 120.400 -0.106 0.000 2.326 152 K HA 0.138 4.457 4.320 -0.000 0.000 0.275 152 K C -0.906 175.671 176.600 -0.039 0.000 1.018 152 K CA -0.274 55.752 56.287 -0.434 0.000 0.962 152 K CB 0.621 32.682 32.500 -0.733 0.000 0.953 152 K HN 0.470 nan 8.250 nan 0.000 0.475 153 D N 5.103 125.559 120.400 0.093 0.000 2.471 153 D HA 0.243 4.883 4.640 -0.000 0.000 0.245 153 D C -2.038 174.289 176.300 0.044 0.000 1.116 153 D CA -2.467 51.650 54.000 0.194 0.000 0.853 153 D CB 1.845 42.901 40.800 0.427 0.000 1.123 153 D HN 0.237 nan 8.370 nan 0.000 0.540 154 P HA -0.171 nan 4.420 nan 0.000 0.217 154 P C 1.607 178.888 177.300 -0.032 0.000 1.148 154 P CA 0.592 63.681 63.100 -0.017 0.000 0.834 154 P CB 0.457 32.155 31.700 -0.004 0.000 0.783 155 V N -0.430 119.462 119.914 -0.037 0.000 2.380 155 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 155 V C 2.215 178.246 176.094 -0.106 0.000 1.063 155 V CA 2.701 64.956 62.300 -0.076 0.000 1.055 155 V CB -1.651 30.108 31.823 -0.107 0.000 0.657 155 V HN 0.369 nan 8.190 nan 0.000 0.455 156 T N -4.981 109.498 114.554 -0.124 0.000 2.959 156 T HA 0.420 4.770 4.350 -0.000 0.000 0.254 156 T C 1.507 176.165 174.700 -0.070 0.000 1.003 156 T CA 0.953 62.971 62.100 -0.136 0.000 0.950 156 T CB 1.093 69.807 68.868 -0.258 0.000 1.090 156 T HN 0.915 nan 8.240 nan 0.000 0.503 157 G N 1.262 110.030 108.800 -0.053 0.000 2.176 157 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 157 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 157 G C -0.082 174.798 174.900 -0.033 0.000 0.979 157 G CA 0.218 45.288 45.100 -0.049 0.000 0.641 157 G HN 0.681 nan 8.290 nan 0.000 0.530 158 Q N -0.995 118.837 119.800 0.053 0.000 2.195 158 Q HA 0.664 5.004 4.340 -0.000 0.000 0.250 158 Q C -0.827 175.367 176.000 0.324 0.000 0.988 158 Q CA -0.799 55.144 55.803 0.233 0.000 0.911 158 Q CB 1.098 30.053 28.738 0.361 0.000 1.258 158 Q HN 0.324 nan 8.270 nan 0.000 0.475 159 Y N 0.387 120.910 120.300 0.371 0.000 2.360 159 Y HA 0.280 4.830 4.550 -0.000 0.000 0.337 159 Y C -0.514 175.613 175.900 0.379 0.000 1.039 159 Y CA -0.876 57.413 58.100 0.315 0.000 1.109 159 Y CB 0.841 39.374 38.460 0.122 0.000 1.201 159 Y HN 0.450 nan 8.280 nan 0.000 0.458 160 Y N 1.202 121.650 120.300 0.247 0.000 2.457 160 Y HA 0.709 5.259 4.550 -0.000 0.000 0.333 160 Y C -1.191 174.760 175.900 0.085 0.000 1.119 160 Y CA -1.978 55.992 58.100 -0.217 0.000 1.143 160 Y CB 0.719 38.655 38.460 -0.874 0.000 1.230 160 Y HN 0.511 nan 8.280 nan 0.000 0.469 161 L N 4.327 125.553 121.223 0.004 0.000 2.326 161 L HA 0.451 4.790 4.340 -0.000 0.000 0.278 161 L C -0.909 175.881 176.870 -0.133 0.000 1.092 161 L CA -0.291 54.186 54.840 -0.605 0.000 0.810 161 L CB 0.230 41.704 42.059 -0.976 0.000 1.153 161 L HN 0.961 nan 8.230 nan 0.000 0.439 162 H N 2.318 121.155 119.070 -0.388 0.000 3.275 162 H HA 0.309 4.865 4.556 -0.000 0.000 0.326 162 H C -0.683 174.540 175.328 -0.175 0.000 1.096 162 H CA -0.679 55.276 56.048 -0.155 0.000 1.579 162 H CB -0.147 29.636 29.762 0.035 0.000 1.834 162 H HN 0.479 nan 8.280 nan 0.000 0.510 163 Y N 2.103 122.208 120.300 -0.325 0.000 2.224 163 Y HA -0.059 4.490 4.550 -0.000 0.000 0.289 163 Y C 0.575 176.140 175.900 -0.559 0.000 1.146 163 Y CA 0.817 58.614 58.100 -0.505 0.000 1.182 163 Y CB -0.378 37.842 38.460 -0.400 0.000 0.983 163 Y HN 0.507 nan 8.280 nan 0.000 0.524 164 F N -1.179 118.788 119.950 0.029 0.000 2.589 164 F HA 0.511 5.038 4.527 -0.000 0.000 0.207 164 F C 1.673 177.532 175.800 0.099 0.000 1.028 164 F CA -0.658 57.205 58.000 -0.228 0.000 1.009 164 F CB -0.945 37.769 39.000 -0.477 0.000 2.173 164 F HN -0.207 nan 8.300 nan 0.000 0.637 165 G N -0.097 109.014 108.800 0.517 0.000 2.559 165 G HA2 0.082 4.042 3.960 -0.000 0.000 0.235 165 G HA3 0.082 4.042 3.960 -0.000 0.000 0.235 165 G C 0.605 175.699 174.900 0.324 0.000 1.266 165 G CA -0.403 45.033 45.100 0.560 0.000 0.847 165 G HN 0.474 nan 8.290 nan 0.000 0.583 166 R N -0.005 120.523 120.500 0.046 0.000 2.193 166 R HA -0.088 4.252 4.340 -0.000 0.000 0.229 166 R C 1.761 177.973 176.300 -0.146 0.000 1.110 166 R CA 1.269 57.065 56.100 -0.508 0.000 0.988 166 R CB 0.048 30.199 30.300 -0.248 0.000 0.871 166 R HN 0.636 nan 8.270 nan 0.000 0.458 167 Q N -0.078 119.721 119.800 -0.002 0.000 2.201 167 Q HA 0.092 4.432 4.340 -0.000 0.000 0.217 167 Q C -0.324 175.666 176.000 -0.016 0.000 0.860 167 Q CA 0.058 55.846 55.803 -0.026 0.000 0.984 167 Q CB 1.057 29.800 28.738 0.009 0.000 1.095 167 Q HN 0.217 nan 8.270 nan 0.000 0.477 168 Q N 1.876 121.708 119.800 0.053 0.000 3.075 168 Q HA 0.222 4.562 4.340 -0.000 0.000 0.318 168 Q C -2.515 173.582 176.000 0.161 0.000 0.907 168 Q CA -1.794 54.095 55.803 0.144 0.000 0.882 168 Q CB 1.282 30.140 28.738 0.200 0.000 1.386 168 Q HN 0.121 nan 8.270 nan 0.000 0.408 169 P HA -0.016 nan 4.420 nan 0.000 0.267 169 P C -0.643 176.863 177.300 0.344 0.000 1.205 169 P CA -0.009 63.108 63.100 0.029 0.000 0.765 169 P CB 0.868 32.128 31.700 -0.733 0.000 0.828 170 D N 2.387 122.998 120.400 0.352 0.000 2.424 170 D HA 0.136 4.776 4.640 -0.000 0.000 0.244 170 D C 0.471 176.999 176.300 0.381 0.000 1.134 170 D CA 0.285 54.517 54.000 0.386 0.000 0.881 170 D CB 0.153 41.063 40.800 0.182 0.000 1.191 170 D HN 0.254 nan 8.370 nan 0.000 0.445 171 L N 2.485 123.856 121.223 0.247 0.000 2.417 171 L HA 0.171 4.511 4.340 -0.000 0.000 0.268 171 L C 0.865 177.686 176.870 -0.082 0.000 1.158 171 L CA -0.426 54.343 54.840 -0.117 0.000 0.819 171 L CB 0.400 42.362 42.059 -0.162 0.000 1.112 171 L HN 0.339 nan 8.230 nan 0.000 0.458 172 N N 1.476 119.886 118.700 -0.483 0.000 2.602 172 N HA 0.036 4.776 4.740 -0.000 0.000 0.238 172 N C 0.231 175.538 175.510 -0.338 0.000 1.084 172 N CA -0.210 52.475 53.050 -0.608 0.000 0.952 172 N CB 0.375 38.304 38.487 -0.931 0.000 1.244 172 N HN 0.475 nan 8.380 nan 0.000 0.512 173 W N 1.231 122.379 121.300 -0.253 0.000 2.611 173 W HA 0.014 4.674 4.660 -0.000 0.000 0.251 173 W C 1.099 177.308 176.519 -0.518 0.000 1.265 173 W CA 0.077 57.148 57.345 -0.457 0.000 1.295 173 W CB 0.304 29.492 29.460 -0.453 0.000 1.129 173 W HN 0.461 nan 8.180 nan 0.000 0.630 174 D N -1.235 119.184 120.400 0.032 0.000 2.363 174 D HA -0.029 4.611 4.640 -0.000 0.000 0.220 174 D C 0.305 176.583 176.300 -0.037 0.000 0.994 174 D CA 0.867 54.943 54.000 0.127 0.000 0.890 174 D CB -0.185 40.773 40.800 0.263 0.000 0.906 174 D HN -0.071 nan 8.370 nan 0.000 0.530 175 T N 2.097 116.527 114.554 -0.206 0.000 2.762 175 T HA 0.171 4.521 4.350 -0.000 0.000 0.303 175 T C -1.690 172.802 174.700 -0.348 0.000 0.977 175 T CA -1.522 60.427 62.100 -0.251 0.000 0.961 175 T CB 2.103 70.782 68.868 -0.315 0.000 0.944 175 T HN -0.146 nan 8.240 nan 0.000 0.481 176 P HA -0.178 nan 4.420 nan 0.000 0.218 176 P C 1.435 178.530 177.300 -0.341 0.000 1.154 176 P CA 1.276 64.239 63.100 -0.230 0.000 0.872 176 P CB 0.208 31.843 31.700 -0.107 0.000 0.790 177 K N -0.905 119.294 120.400 -0.337 0.000 2.097 177 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 177 K C 2.010 178.207 176.600 -0.672 0.000 1.049 177 K CA 0.867 56.928 56.287 -0.376 0.000 0.933 177 K CB -0.811 31.547 32.500 -0.238 0.000 0.717 177 K HN 0.147 nan 8.250 nan 0.000 0.442 178 L N 1.726 122.369 121.223 -0.966 0.000 2.027 178 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 178 L C 2.092 178.274 176.870 -1.146 0.000 1.074 178 L CA 1.660 55.670 54.840 -1.384 0.000 0.745 178 L CB -0.513 40.714 42.059 -1.385 0.000 0.898 178 L HN 0.183 nan 8.230 nan 0.000 0.433 179 R N -0.194 119.669 120.500 -1.060 0.000 2.103 179 R HA -0.180 4.160 4.340 -0.000 0.000 0.242 179 R C 1.991 177.436 176.300 -1.424 0.000 1.142 179 R CA 1.471 56.776 56.100 -1.326 0.000 0.960 179 R CB -0.270 29.458 30.300 -0.954 0.000 0.858 179 R HN 0.471 nan 8.270 nan 0.000 0.439 180 E N 0.724 120.438 120.200 -0.811 0.000 2.150 180 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 180 E C 1.871 178.255 176.600 -0.361 0.000 0.985 180 E CA 0.937 57.070 56.400 -0.446 0.000 0.814 180 E CB -0.020 29.557 29.700 -0.205 0.000 0.752 180 E HN 0.431 nan 8.360 nan 0.000 0.466 181 E N 0.508 120.433 120.200 -0.459 0.000 2.106 181 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 181 E C 2.345 178.807 176.600 -0.230 0.000 0.984 181 E CA 0.464 56.700 56.400 -0.273 0.000 0.806 181 E CB -0.064 29.402 29.700 -0.390 0.000 0.750 181 E HN 0.265 nan 8.360 nan 0.000 0.458 182 L N 0.175 121.098 121.223 -0.500 0.000 2.083 182 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 182 L C 2.448 179.260 176.870 -0.097 0.000 1.083 182 L CA 1.012 55.611 54.840 -0.402 0.000 0.752 182 L CB -0.581 41.040 42.059 -0.730 0.000 0.899 182 L HN 0.137 nan 8.230 nan 0.000 0.433 183 Y N 0.135 120.355 120.300 -0.133 0.000 2.200 183 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 183 Y C 2.697 178.600 175.900 0.006 0.000 1.137 183 Y CA 0.400 58.475 58.100 -0.041 0.000 1.163 183 Y CB -1.277 37.162 38.460 -0.034 0.000 0.988 183 Y HN 0.090 nan 8.280 nan 0.000 0.518 184 A N 0.018 122.932 122.820 0.157 0.000 1.933 184 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 184 A C 2.398 180.071 177.584 0.149 0.000 1.175 184 A CA 1.696 53.813 52.037 0.134 0.000 0.628 184 A CB -0.697 18.358 19.000 0.092 0.000 0.814 184 A HN 0.373 nan 8.150 nan 0.000 0.444 185 M N -0.043 119.631 119.600 0.123 0.000 2.117 185 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 185 M C 1.950 178.423 176.300 0.288 0.000 1.065 185 M CA 1.696 57.088 55.300 0.154 0.000 1.114 185 M CB -0.851 31.773 32.600 0.041 0.000 1.361 185 M HN 0.441 nan 8.290 nan 0.000 0.408 186 L N -0.376 120.986 121.223 0.232 0.000 2.046 186 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 186 L C 2.575 179.535 176.870 0.150 0.000 1.077 186 L CA 1.269 56.257 54.840 0.245 0.000 0.747 186 L CB -0.748 41.409 42.059 0.164 0.000 0.896 186 L HN 0.313 nan 8.230 nan 0.000 0.432 187 R N -0.608 119.945 120.500 0.088 0.000 2.127 187 R HA -0.207 4.132 4.340 -0.000 0.000 0.238 187 R C 2.265 178.616 176.300 0.085 0.000 1.134 187 R CA 1.604 57.728 56.100 0.039 0.000 0.975 187 R CB -0.588 29.817 30.300 0.175 0.000 0.865 187 R HN 0.235 nan 8.270 nan 0.000 0.447 188 F N 0.227 120.166 119.950 -0.018 0.000 2.095 188 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 188 F C 1.537 177.210 175.800 -0.212 0.000 1.104 188 F CA 1.488 59.396 58.000 -0.153 0.000 1.232 188 F CB -0.287 38.551 39.000 -0.270 0.000 0.987 188 F HN -0.030 nan 8.300 nan 0.000 0.475 189 W N 0.312 121.668 121.300 0.093 0.000 2.453 189 W HA 0.018 4.678 4.660 -0.000 0.000 0.289 189 W C 2.273 178.776 176.519 -0.027 0.000 1.215 189 W CA 0.756 58.112 57.345 0.018 0.000 1.297 189 W CB -0.577 29.024 29.460 0.235 0.000 1.113 189 W HN -0.022 nan 8.180 nan 0.000 0.551 190 L N 0.038 121.308 121.223 0.079 0.000 2.083 190 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 190 L C 1.828 178.685 176.870 -0.022 0.000 1.083 190 L CA 1.130 55.890 54.840 -0.134 0.000 0.752 190 L CB -0.722 40.836 42.059 -0.835 0.000 0.899 190 L HN -0.086 nan 8.230 nan 0.000 0.433 191 D N 0.208 120.610 120.400 0.002 0.000 2.263 191 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 191 D C 1.933 178.242 176.300 0.015 0.000 0.971 191 D CA 0.949 55.002 54.000 0.088 0.000 0.867 191 D CB -0.014 40.808 40.800 0.037 0.000 0.929 191 D HN 0.322 nan 8.370 nan 0.000 0.492 192 K N -0.518 119.857 120.400 -0.042 0.000 2.486 192 K HA 0.125 4.445 4.320 -0.000 0.000 0.194 192 K C 1.288 177.935 176.600 0.078 0.000 1.033 192 K CA 0.720 56.999 56.287 -0.013 0.000 1.004 192 K CB 0.821 33.313 32.500 -0.012 0.000 0.798 192 K HN 0.169 nan 8.250 nan 0.000 0.495 193 G N 1.719 110.588 108.800 0.115 0.000 2.184 193 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.206 193 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.206 193 G C 0.298 175.289 174.900 0.152 0.000 0.995 193 G CA 0.035 45.210 45.100 0.124 0.000 0.651 193 G HN 0.197 nan 8.290 nan 0.000 0.511 194 V N -0.390 119.650 119.914 0.211 0.000 2.814 194 V HA 0.542 4.662 4.120 -0.000 0.000 0.307 194 V C 1.244 177.482 176.094 0.240 0.000 1.089 194 V CA 1.380 63.823 62.300 0.237 0.000 1.212 194 V CB 1.235 33.245 31.823 0.312 0.000 0.912 194 V HN 0.438 nan 8.190 nan 0.000 0.497 195 S N 2.850 118.703 115.700 0.255 0.000 2.524 195 S HA 0.443 4.913 4.470 -0.000 0.000 0.216 195 S C 0.738 175.605 174.600 0.445 0.000 0.987 195 S CA 0.503 58.903 58.200 0.334 0.000 0.909 195 S CB 0.341 63.703 63.200 0.271 0.000 0.781 195 S HN 1.481 nan 8.310 nan 0.000 0.521 196 G N 0.759 109.789 108.800 0.384 0.000 2.720 196 G HA2 0.662 4.622 3.960 -0.000 0.000 0.295 196 G HA3 0.662 4.622 3.960 -0.000 0.000 0.295 196 G C -1.507 173.532 174.900 0.233 0.000 1.437 196 G CA -0.730 44.569 45.100 0.332 0.000 0.886 196 G HN 0.117 nan 8.290 nan 0.000 0.509 197 M N 1.173 120.846 119.600 0.121 0.000 2.263 197 M HA 0.459 4.939 4.480 -0.000 0.000 0.295 197 M C -0.374 175.808 176.300 -0.196 0.000 1.028 197 M CA -0.717 54.559 55.300 -0.041 0.000 0.921 197 M CB 3.126 35.720 32.600 -0.010 0.000 1.601 197 M HN 0.518 nan 8.290 nan 0.000 0.440 198 R N 2.627 122.929 120.500 -0.329 0.000 2.387 198 R HA 0.571 4.911 4.340 -0.000 0.000 0.314 198 R C -1.810 174.260 176.300 -0.384 0.000 0.958 198 R CA -0.372 55.517 56.100 -0.352 0.000 0.846 198 R CB 0.995 30.871 30.300 -0.708 0.000 1.147 198 R HN 0.517 nan 8.270 nan 0.000 0.447 199 F N 3.139 123.057 119.950 -0.053 0.000 2.350 199 F HA 0.162 4.689 4.527 -0.000 0.000 0.365 199 F C 0.450 176.279 175.800 0.048 0.000 1.122 199 F CA -0.726 57.319 58.000 0.075 0.000 1.139 199 F CB 0.958 40.056 39.000 0.164 0.000 1.220 199 F HN 0.554 nan 8.300 nan 0.000 0.499 200 D N 2.039 122.566 120.400 0.212 0.000 2.533 200 D HA -0.067 4.573 4.640 -0.000 0.000 0.236 200 D C 0.831 177.266 176.300 0.224 0.000 1.137 200 D CA 0.882 54.995 54.000 0.188 0.000 0.867 200 D CB 0.629 41.601 40.800 0.287 0.000 1.170 200 D HN 0.668 nan 8.370 nan 0.000 0.474 201 T N 2.822 117.467 114.554 0.152 0.000 3.290 201 T HA -0.218 4.132 4.350 -0.000 0.000 0.422 201 T C 1.058 175.827 174.700 0.114 0.000 0.771 201 T CA 0.656 62.889 62.100 0.220 0.000 2.100 201 T CB -1.120 67.971 68.868 0.371 0.000 1.676 201 T HN 0.373 nan 8.240 nan 0.000 0.613 202 V N 2.301 122.176 119.914 -0.064 0.000 2.759 202 V HA 0.120 4.240 4.120 -0.000 0.000 0.256 202 V C 2.420 178.164 176.094 -0.583 0.000 1.080 202 V CA 2.404 64.389 62.300 -0.525 0.000 1.101 202 V CB -0.667 31.012 31.823 -0.239 0.000 0.698 202 V HN 0.950 nan 8.190 nan 0.000 0.477 203 A N -0.368 122.349 122.820 -0.172 0.000 2.206 203 A HA -0.018 4.302 4.320 -0.000 0.000 0.211 203 A C 2.024 179.614 177.584 0.010 0.000 1.158 203 A CA 1.314 53.349 52.037 -0.005 0.000 0.761 203 A CB -0.539 18.480 19.000 0.032 0.000 0.801 203 A HN 0.672 nan 8.150 nan 0.000 0.473 204 T N -4.519 110.074 114.554 0.065 0.000 3.069 204 T HA 0.112 4.462 4.350 -0.000 0.000 0.252 204 T C 1.307 176.223 174.700 0.361 0.000 1.053 204 T CA -0.089 62.174 62.100 0.272 0.000 0.964 204 T CB -0.489 68.668 68.868 0.482 0.000 1.005 204 T HN 0.302 nan 8.240 nan 0.000 0.532 205 Y N 2.643 122.960 120.300 0.028 0.000 2.165 205 Y HA 0.115 4.665 4.550 -0.000 0.000 0.286 205 Y C 1.816 177.729 175.900 0.022 0.000 1.155 205 Y CA -0.235 57.745 58.100 -0.200 0.000 1.164 205 Y CB -1.013 36.932 38.460 -0.859 0.000 0.978 205 Y HN 0.326 nan 8.280 nan 0.000 0.513 206 S N 1.008 116.859 115.700 0.251 0.000 2.465 206 S HA 0.358 4.827 4.470 -0.000 0.000 0.279 206 S C -0.252 174.480 174.600 0.220 0.000 1.201 206 S CA -0.714 57.658 58.200 0.286 0.000 1.053 206 S CB 0.245 63.519 63.200 0.123 0.000 0.953 206 S HN -0.018 nan 8.310 nan 0.000 0.488 207 K N 2.749 123.269 120.400 0.200 0.000 2.087 207 K HA 0.427 4.747 4.320 -0.000 0.000 0.255 207 K C -0.056 176.520 176.600 -0.041 0.000 0.988 207 K CA -0.349 55.971 56.287 0.054 0.000 0.915 207 K CB 0.918 33.264 32.500 -0.256 0.000 1.043 207 K HN 0.528 nan 8.250 nan 0.000 0.457 208 T N 4.473 118.999 114.554 -0.047 0.000 2.779 208 T HA 0.218 4.567 4.350 -0.000 0.000 0.296 208 T C -2.346 172.141 174.700 -0.355 0.000 0.938 208 T CA -1.195 60.850 62.100 -0.091 0.000 1.119 208 T CB 0.503 69.414 68.868 0.073 0.000 0.891 208 T HN 0.246 nan 8.240 nan 0.000 0.526 209 P HA 0.178 nan 4.420 nan 0.000 0.261 209 P C 1.075 178.254 177.300 -0.203 0.000 1.183 209 P CA 0.880 63.849 63.100 -0.219 0.000 0.761 209 P CB 0.259 31.915 31.700 -0.074 0.000 0.785 210 G N 3.239 111.907 108.800 -0.220 0.000 2.225 210 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.254 210 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.254 210 G C 0.433 175.362 174.900 0.049 0.000 0.988 210 G CA -0.203 44.867 45.100 -0.049 0.000 0.625 210 G HN 0.425 nan 8.290 nan 0.000 0.527 211 F N 0.483 120.458 119.950 0.042 0.000 2.907 211 F HA -0.135 4.392 4.527 -0.000 0.000 0.244 211 F C -0.680 175.070 175.800 -0.083 0.000 1.007 211 F CA 0.535 58.524 58.000 -0.018 0.000 0.872 211 F CB -1.853 37.117 39.000 -0.050 0.000 0.767 211 F HN 0.394 nan 8.300 nan 0.000 0.837 212 P HA 0.062 nan 4.420 nan 0.000 0.272 212 P C 0.301 177.661 177.300 0.101 0.000 1.230 212 P CA -0.178 62.968 63.100 0.077 0.000 0.788 212 P CB 0.869 32.612 31.700 0.071 0.000 0.949 213 D N 0.845 121.280 120.400 0.059 0.000 2.423 213 D HA 0.087 4.727 4.640 -0.000 0.000 0.238 213 D C 0.562 176.952 176.300 0.151 0.000 1.142 213 D CA 0.294 54.347 54.000 0.088 0.000 0.884 213 D CB 0.478 41.301 40.800 0.037 0.000 1.199 213 D HN 0.252 nan 8.370 nan 0.000 0.438 214 L N 1.369 122.713 121.223 0.203 0.000 2.417 214 L HA 0.128 4.468 4.340 -0.000 0.000 0.268 214 L C 1.459 178.374 176.870 0.076 0.000 1.158 214 L CA -0.441 54.491 54.840 0.154 0.000 0.819 214 L CB 0.632 42.771 42.059 0.132 0.000 1.112 214 L HN 0.448 nan 8.230 nan 0.000 0.458 215 T N -0.750 113.834 114.554 0.049 0.000 2.828 215 T HA 0.170 4.520 4.350 -0.000 0.000 0.290 215 T C -1.829 172.879 174.700 0.013 0.000 1.019 215 T CA -1.513 60.603 62.100 0.025 0.000 1.031 215 T CB 1.116 69.993 68.868 0.016 0.000 1.001 215 T HN 0.349 nan 8.240 nan 0.000 0.531 216 P HA -0.125 nan 4.420 nan 0.000 0.216 216 P C 1.539 178.834 177.300 -0.007 0.000 1.157 216 P CA 1.097 64.196 63.100 -0.002 0.000 0.880 216 P CB 0.079 31.776 31.700 -0.005 0.000 0.791 217 E N -0.334 119.859 120.200 -0.011 0.000 2.051 217 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 217 E C 2.118 178.700 176.600 -0.029 0.000 0.991 217 E CA 1.519 57.906 56.400 -0.020 0.000 0.799 217 E CB -0.765 28.923 29.700 -0.021 0.000 0.748 217 E HN 0.275 nan 8.360 nan 0.000 0.449 218 Q N -0.820 118.966 119.800 -0.024 0.000 2.124 218 Q HA -0.166 4.173 4.340 -0.000 0.000 0.202 218 Q C 2.098 178.072 176.000 -0.043 0.000 0.977 218 Q CA 1.505 57.284 55.803 -0.041 0.000 0.850 218 Q CB -0.204 28.522 28.738 -0.020 0.000 0.901 218 Q HN 0.257 nan 8.270 nan 0.000 0.429 219 M N 1.172 120.764 119.600 -0.012 0.000 2.202 219 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 219 M C 1.406 177.731 176.300 0.041 0.000 1.063 219 M CA 1.651 56.957 55.300 0.011 0.000 1.097 219 M CB 0.062 32.663 32.600 0.003 0.000 1.382 219 M HN -0.061 nan 8.290 nan 0.000 0.413 220 K N -0.619 119.779 120.400 -0.004 0.000 2.280 220 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 220 K C 0.567 177.126 176.600 -0.069 0.000 1.047 220 K CA 1.128 57.405 56.287 -0.016 0.000 0.942 220 K CB -0.382 32.097 32.500 -0.035 0.000 0.739 220 K HN 0.536 nan 8.250 nan 0.000 0.457 221 N N 0.025 118.646 118.700 -0.131 0.000 2.697 221 N HA 0.035 4.775 4.740 -0.000 0.000 0.253 221 N C 0.471 175.741 175.510 -0.399 0.000 1.604 221 N CA -0.170 52.704 53.050 -0.293 0.000 0.772 221 N CB 0.250 38.594 38.487 -0.238 0.000 1.267 221 N HN -0.043 nan 8.380 nan 0.000 0.510 222 F N 0.310 120.010 119.950 -0.417 0.000 2.250 222 F HA 0.036 4.563 4.527 -0.000 0.000 0.301 222 F C 2.112 177.342 175.800 -0.950 0.000 1.077 222 F CA 1.085 58.660 58.000 -0.709 0.000 1.348 222 F CB -0.613 37.871 39.000 -0.861 0.000 1.040 222 F HN 0.189 nan 8.300 nan 0.000 0.509 223 A N 0.645 122.787 122.820 -1.129 0.000 1.948 223 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 223 A C 2.369 179.636 177.584 -0.528 0.000 1.177 223 A CA 1.971 53.563 52.037 -0.742 0.000 0.636 223 A CB -1.081 17.480 19.000 -0.731 0.000 0.815 223 A HN 0.647 nan 8.150 nan 0.000 0.449 224 E N -0.230 119.699 120.200 -0.451 0.000 2.072 224 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 224 E C 2.089 178.571 176.600 -0.198 0.000 0.985 224 E CA 0.985 57.215 56.400 -0.285 0.000 0.801 224 E CB -0.270 29.294 29.700 -0.226 0.000 0.750 224 E HN 0.539 nan 8.360 nan 0.000 0.452 225 A N 0.290 122.975 122.820 -0.225 0.000 1.972 225 A HA -0.155 4.164 4.320 -0.000 0.000 0.219 225 A C 1.646 179.227 177.584 -0.005 0.000 1.169 225 A CA 1.007 52.979 52.037 -0.109 0.000 0.635 225 A CB -0.678 18.254 19.000 -0.113 0.000 0.810 225 A HN 0.402 nan 8.150 nan 0.000 0.446 226 Y N 0.987 121.135 120.300 -0.253 0.000 2.639 226 Y HA -0.041 4.509 4.550 -0.000 0.000 0.297 226 Y C 2.452 178.286 175.900 -0.111 0.000 1.151 226 Y CA 0.997 58.919 58.100 -0.296 0.000 1.335 226 Y CB -1.165 36.901 38.460 -0.657 0.000 0.994 226 Y HN 0.500 nan 8.280 nan 0.000 0.548 227 T N -3.665 110.911 114.554 0.037 0.000 3.105 227 T HA 0.056 4.406 4.350 -0.000 0.000 0.253 227 T C 0.837 175.562 174.700 0.042 0.000 1.047 227 T CA -0.134 61.990 62.100 0.039 0.000 0.944 227 T CB 0.034 68.898 68.868 -0.006 0.000 1.016 227 T HN 0.152 nan 8.240 nan 0.000 0.544 228 Q N 1.493 121.318 119.800 0.042 0.000 2.201 228 Q HA 0.287 4.627 4.340 -0.000 0.000 0.217 228 Q C 0.954 176.971 176.000 0.029 0.000 0.860 228 Q CA -0.305 55.516 55.803 0.030 0.000 0.984 228 Q CB 0.514 29.268 28.738 0.027 0.000 1.095 228 Q HN 0.618 nan 8.270 nan 0.000 0.477 229 G N 3.348 112.171 108.800 0.038 0.000 2.353 229 G HA2 0.070 4.030 3.960 -0.000 0.000 0.239 229 G HA3 0.070 4.030 3.960 -0.000 0.000 0.239 229 G C -1.322 173.560 174.900 -0.030 0.000 1.295 229 G CA -0.632 44.486 45.100 0.030 0.000 0.884 229 G HN 0.055 nan 8.290 nan 0.000 0.537 230 P HA -0.044 nan 4.420 nan 0.000 0.230 230 P C 0.583 177.802 177.300 -0.135 0.000 1.158 230 P CA 0.666 63.728 63.100 -0.063 0.000 0.769 230 P CB 0.483 32.160 31.700 -0.039 0.000 0.807 231 N N -0.701 117.866 118.700 -0.222 0.000 2.204 231 N HA 0.045 4.785 4.740 -0.000 0.000 0.219 231 N C 1.472 176.623 175.510 -0.598 0.000 1.151 231 N CA -0.249 52.508 53.050 -0.490 0.000 0.867 231 N CB -0.032 37.961 38.487 -0.823 0.000 1.043 231 N HN 0.045 nan 8.380 nan 0.000 0.516 232 L N 1.779 122.789 121.223 -0.355 0.000 1.978 232 L HA -0.215 4.125 4.340 -0.000 0.000 0.218 232 L C 2.007 178.612 176.870 -0.441 0.000 1.075 232 L CA 2.067 56.682 54.840 -0.376 0.000 0.767 232 L CB -0.729 41.041 42.059 -0.482 0.000 0.890 232 L HN 0.267 nan 8.230 nan 0.000 0.434 233 H N -0.810 118.116 119.070 -0.240 0.000 2.495 233 H HA -0.071 4.485 4.556 -0.000 0.000 0.287 233 H C 2.343 177.594 175.328 -0.127 0.000 1.033 233 H CA 1.308 57.220 56.048 -0.226 0.000 1.307 233 H CB -0.118 29.481 29.762 -0.273 0.000 1.401 233 H HN 0.429 nan 8.280 nan 0.000 0.555 234 R N 0.371 120.824 120.500 -0.078 0.000 2.075 234 R HA -0.148 4.191 4.340 -0.000 0.000 0.232 234 R C 1.598 177.971 176.300 0.121 0.000 1.126 234 R CA 1.180 57.258 56.100 -0.036 0.000 0.963 234 R CB -0.090 30.117 30.300 -0.154 0.000 0.858 234 R HN 0.155 nan 8.270 nan 0.000 0.435 235 Y N 1.074 121.440 120.300 0.111 0.000 2.163 235 Y HA -0.120 4.430 4.550 -0.000 0.000 0.288 235 Y C 2.233 178.269 175.900 0.226 0.000 1.136 235 Y CA 0.769 59.009 58.100 0.233 0.000 1.147 235 Y CB -0.738 37.866 38.460 0.241 0.000 0.987 235 Y HN 0.024 nan 8.280 nan 0.000 0.509 236 L N -0.363 121.000 121.223 0.233 0.000 2.079 236 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 236 L C 2.362 179.346 176.870 0.190 0.000 1.081 236 L CA 1.551 56.489 54.840 0.162 0.000 0.752 236 L CB -0.672 41.403 42.059 0.027 0.000 0.896 236 L HN 0.288 nan 8.230 nan 0.000 0.433 237 Q N -0.418 119.474 119.800 0.152 0.000 2.119 237 Q HA -0.237 4.103 4.340 -0.000 0.000 0.201 237 Q C 2.151 178.245 176.000 0.156 0.000 0.972 237 Q CA 1.394 57.267 55.803 0.116 0.000 0.847 237 Q CB -0.057 28.712 28.738 0.053 0.000 0.903 237 Q HN 0.480 nan 8.270 nan 0.000 0.433 238 E N 0.847 121.170 120.200 0.205 0.000 2.077 238 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 238 E C 2.018 178.655 176.600 0.061 0.000 0.989 238 E CA 0.958 57.470 56.400 0.186 0.000 0.800 238 E CB -0.047 29.845 29.700 0.320 0.000 0.746 238 E HN 0.307 nan 8.360 nan 0.000 0.452 239 M N -0.316 119.373 119.600 0.148 0.000 2.159 239 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 239 M C 2.107 178.453 176.300 0.076 0.000 1.063 239 M CA 2.014 57.286 55.300 -0.046 0.000 1.110 239 M CB -0.223 32.609 32.600 0.386 0.000 1.374 239 M HN 0.240 nan 8.290 nan 0.000 0.411 240 H N -0.349 118.807 119.070 0.145 0.000 2.357 240 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 240 H C 2.145 177.508 175.328 0.058 0.000 1.082 240 H CA 1.836 58.017 56.048 0.221 0.000 1.342 240 H CB 0.102 29.953 29.762 0.149 0.000 1.389 240 H HN 0.439 nan 8.280 nan 0.000 0.511 241 E N 0.971 121.303 120.200 0.221 0.000 2.106 241 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 241 E C 1.578 178.160 176.600 -0.030 0.000 0.984 241 E CA 1.073 57.528 56.400 0.091 0.000 0.806 241 E CB 0.115 29.856 29.700 0.067 0.000 0.750 241 E HN 0.525 nan 8.360 nan 0.000 0.458 242 K N -0.324 120.030 120.400 -0.077 0.000 2.314 242 K HA 0.042 4.362 4.320 -0.000 0.000 0.198 242 K C 1.808 178.398 176.600 -0.016 0.000 1.045 242 K CA 0.385 56.637 56.287 -0.057 0.000 0.988 242 K CB 0.853 33.210 32.500 -0.238 0.000 0.783 242 K HN -0.000 nan 8.250 nan 0.000 0.484 243 V N -0.536 119.277 119.914 -0.167 0.000 3.430 243 V HA -0.016 4.104 4.120 -0.000 0.000 0.211 243 V C 1.342 177.342 176.094 -0.156 0.000 1.173 243 V CA 0.326 62.517 62.300 -0.182 0.000 1.310 243 V CB -0.431 31.049 31.823 -0.571 0.000 1.361 243 V HN -0.013 nan 8.190 nan 0.000 0.512 244 F N 1.206 121.162 119.950 0.011 0.000 2.307 244 F HA -0.154 4.373 4.527 -0.000 0.000 0.301 244 F C 2.211 177.934 175.800 -0.130 0.000 1.076 244 F CA 1.555 59.515 58.000 -0.066 0.000 1.383 244 F CB -0.522 38.275 39.000 -0.339 0.000 1.055 244 F HN 0.262 nan 8.300 nan 0.000 0.526 245 D N -0.478 119.850 120.400 -0.121 0.000 2.218 245 D HA -0.156 4.483 4.640 -0.000 0.000 0.204 245 D C 1.110 177.282 176.300 -0.212 0.000 0.976 245 D CA 1.179 55.090 54.000 -0.148 0.000 0.853 245 D CB -0.074 40.537 40.800 -0.315 0.000 0.939 245 D HN 0.449 nan 8.370 nan 0.000 0.481 246 H N -2.356 116.745 119.070 0.051 0.000 2.549 246 H HA 0.182 4.738 4.556 -0.000 0.000 0.279 246 H C -0.341 174.762 175.328 -0.375 0.000 1.018 246 H CA -0.278 55.676 56.048 -0.157 0.000 1.175 246 H CB 0.340 29.942 29.762 -0.266 0.000 1.485 246 H HN 0.071 nan 8.280 nan 0.000 0.543 247 Y N -0.973 119.419 120.300 0.154 0.000 2.698 247 Y HA 0.215 4.764 4.550 -0.000 0.000 0.332 247 Y C 0.296 176.318 175.900 0.204 0.000 1.119 247 Y CA -1.266 56.941 58.100 0.177 0.000 1.109 247 Y CB 1.202 39.772 38.460 0.184 0.000 1.308 247 Y HN -0.126 nan 8.280 nan 0.000 0.499 248 D N 0.189 120.847 120.400 0.430 0.000 2.593 248 D HA 0.377 5.017 4.640 -0.000 0.000 0.241 248 D C -0.728 175.823 176.300 0.418 0.000 1.257 248 D CA 0.008 54.226 54.000 0.364 0.000 0.828 248 D CB -0.074 40.907 40.800 0.303 0.000 1.049 248 D HN 0.573 nan 8.370 nan 0.000 0.490 249 A N 0.004 123.081 122.820 0.429 0.000 2.310 249 A HA 0.560 4.880 4.320 -0.000 0.000 0.299 249 A C -0.133 177.602 177.584 0.252 0.000 1.147 249 A CA -0.580 51.695 52.037 0.396 0.000 0.818 249 A CB 1.292 20.535 19.000 0.403 0.000 1.096 249 A HN 0.111 nan 8.150 nan 0.000 0.495 250 V N 2.619 122.628 119.914 0.159 0.000 2.546 250 V HA 0.588 4.708 4.120 -0.000 0.000 0.284 250 V C 0.525 176.482 176.094 -0.228 0.000 1.050 250 V CA 0.551 62.695 62.300 -0.260 0.000 0.981 250 V CB 1.303 32.730 31.823 -0.659 0.000 0.990 250 V HN 1.191 nan 8.190 nan 0.000 0.474 251 T N 4.275 118.613 114.554 -0.359 0.000 2.888 251 T HA 0.871 5.221 4.350 -0.000 0.000 0.284 251 T C -0.433 174.154 174.700 -0.188 0.000 1.017 251 T CA -0.207 61.741 62.100 -0.253 0.000 1.022 251 T CB 1.721 70.331 68.868 -0.429 0.000 1.013 251 T HN 1.472 nan 8.240 nan 0.000 0.465 252 A N 1.201 124.014 122.820 -0.011 0.000 2.422 252 A HA 0.877 5.197 4.320 -0.000 0.000 0.302 252 A C -0.027 177.656 177.584 0.166 0.000 1.041 252 A CA -0.744 51.310 52.037 0.028 0.000 0.708 252 A CB 1.542 20.577 19.000 0.058 0.000 1.257 252 A HN 1.361 nan 8.150 nan 0.000 0.414 253 G N 0.494 109.376 108.800 0.137 0.000 2.416 253 G HA2 0.532 4.492 3.960 -0.000 0.000 0.324 253 G HA3 0.532 4.492 3.960 -0.000 0.000 0.324 253 G C -0.640 174.313 174.900 0.089 0.000 1.194 253 G CA -0.322 44.849 45.100 0.118 0.000 0.922 253 G HN 0.757 nan 8.290 nan 0.000 0.467 254 E N 2.994 123.217 120.200 0.038 0.000 2.001 254 E HA 0.199 4.549 4.350 -0.000 0.000 0.279 254 E C -0.205 176.449 176.600 0.090 0.000 1.045 254 E CA -0.453 55.976 56.400 0.047 0.000 0.833 254 E CB 0.414 30.086 29.700 -0.047 0.000 1.077 254 E HN 0.368 nan 8.360 nan 0.000 0.397 255 I N 6.371 126.977 120.570 0.060 0.000 2.224 255 I HA 0.105 4.274 4.170 -0.000 0.000 0.293 255 I C -0.239 175.957 176.117 0.132 0.000 1.155 255 I CA -0.454 60.785 61.300 -0.101 0.000 1.297 255 I CB -0.310 37.457 38.000 -0.388 0.000 1.487 255 I HN 0.443 nan 8.210 nan 0.000 0.564 256 F N 4.876 124.788 119.950 -0.063 0.000 2.424 256 F HA 0.590 5.117 4.527 -0.000 0.000 0.356 256 F C 1.171 176.772 175.800 -0.332 0.000 1.110 256 F CA -0.231 57.552 58.000 -0.361 0.000 1.161 256 F CB 0.844 39.620 39.000 -0.374 0.000 1.115 256 F HN 0.587 nan 8.300 nan 0.000 0.507 257 G N 3.630 111.907 108.800 -0.871 0.000 2.241 257 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.244 257 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.244 257 G C 0.203 174.874 174.900 -0.381 0.000 0.998 257 G CA -0.050 44.581 45.100 -0.781 0.000 0.621 257 G HN 1.276 nan 8.290 nan 0.000 0.519 258 A N 0.934 123.612 122.820 -0.238 0.000 2.340 258 A HA 0.730 5.050 4.320 -0.000 0.000 0.268 258 A C -1.666 175.869 177.584 -0.081 0.000 1.100 258 A CA -0.821 51.147 52.037 -0.114 0.000 0.803 258 A CB 0.318 19.289 19.000 -0.047 0.000 1.043 258 A HN 0.185 nan 8.150 nan 0.000 0.488 259 P HA 0.121 nan 4.420 nan 0.000 0.271 259 P C 0.892 178.190 177.300 -0.003 0.000 1.216 259 P CA -0.474 62.608 63.100 -0.030 0.000 0.776 259 P CB 0.541 32.230 31.700 -0.019 0.000 0.881 260 L N 3.722 124.940 121.223 -0.008 0.000 2.127 260 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 260 L C 1.792 178.673 176.870 0.019 0.000 1.089 260 L CA 1.836 56.676 54.840 -0.001 0.000 0.757 260 L CB -1.116 40.936 42.059 -0.013 0.000 0.899 260 L HN 0.466 nan 8.230 nan 0.000 0.434 261 N N -2.011 116.701 118.700 0.019 0.000 2.519 261 N HA -0.212 4.527 4.740 -0.000 0.000 0.186 261 N C 1.205 176.748 175.510 0.056 0.000 1.062 261 N CA 0.667 53.733 53.050 0.028 0.000 0.910 261 N CB -0.204 38.292 38.487 0.015 0.000 0.958 261 N HN 0.503 nan 8.380 nan 0.000 0.445 262 Q N 0.678 120.534 119.800 0.095 0.000 2.354 262 Q HA 0.104 4.444 4.340 -0.000 0.000 0.203 262 Q C 2.393 178.578 176.000 0.308 0.000 0.933 262 Q CA 0.171 56.085 55.803 0.184 0.000 0.901 262 Q CB -0.068 28.828 28.738 0.264 0.000 1.007 262 Q HN 0.269 nan 8.270 nan 0.000 0.495 263 V N 2.066 122.105 119.914 0.209 0.000 2.278 263 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 263 V C -0.695 175.564 176.094 0.274 0.000 1.062 263 V CA 2.230 64.656 62.300 0.210 0.000 1.038 263 V CB -1.738 30.112 31.823 0.045 0.000 0.646 263 V HN 0.224 nan 8.190 nan 0.000 0.447 264 P HA -0.153 nan 4.420 nan 0.000 0.218 264 P C 1.815 179.152 177.300 0.062 0.000 1.146 264 P CA 1.332 64.494 63.100 0.104 0.000 0.813 264 P CB -0.108 31.628 31.700 0.060 0.000 0.778 265 L N -2.928 118.293 121.223 -0.004 0.000 2.131 265 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 265 L C 2.021 178.713 176.870 -0.297 0.000 1.092 265 L CA 1.399 56.038 54.840 -0.334 0.000 0.759 265 L CB -0.781 40.824 42.059 -0.757 0.000 0.903 265 L HN -0.033 nan 8.230 nan 0.000 0.435 266 F N -0.342 119.595 119.950 -0.021 0.000 2.335 266 F HA 0.004 4.530 4.527 -0.000 0.000 0.296 266 F C 2.074 177.890 175.800 0.026 0.000 1.091 266 F CA 0.769 58.803 58.000 0.056 0.000 1.399 266 F CB -0.176 38.870 39.000 0.077 0.000 1.067 266 F HN 0.001 nan 8.300 nan 0.000 0.520 267 I N -3.849 116.859 120.570 0.230 0.000 4.139 267 I HA 0.196 4.366 4.170 -0.000 0.000 0.335 267 I C 0.293 176.506 176.117 0.159 0.000 1.327 267 I CA -0.213 61.188 61.300 0.169 0.000 1.112 267 I CB -0.158 37.936 38.000 0.158 0.000 1.058 267 I HN -0.203 nan 8.210 nan 0.000 0.396 268 D N 3.050 123.523 120.400 0.121 0.000 2.451 268 D HA -0.057 4.582 4.640 -0.000 0.000 0.254 268 D C 1.547 177.908 176.300 0.101 0.000 1.204 268 D CA 0.853 54.929 54.000 0.126 0.000 0.896 268 D CB 1.369 42.197 40.800 0.047 0.000 1.136 268 D HN 0.436 nan 8.370 nan 0.000 0.499 269 S N 4.665 120.469 115.700 0.175 0.000 2.402 269 S HA -0.261 4.209 4.470 -0.000 0.000 0.233 269 S C 1.744 176.361 174.600 0.030 0.000 1.030 269 S CA 0.848 59.135 58.200 0.146 0.000 1.003 269 S CB -0.118 63.220 63.200 0.230 0.000 0.813 269 S HN 0.587 nan 8.310 nan 0.000 0.477 270 R N 1.134 121.597 120.500 -0.062 0.000 2.120 270 R HA 0.083 4.423 4.340 -0.000 0.000 0.234 270 R C 2.612 178.837 176.300 -0.125 0.000 1.123 270 R CA 1.451 57.462 56.100 -0.149 0.000 0.975 270 R CB -0.284 29.835 30.300 -0.302 0.000 0.866 270 R HN 0.482 nan 8.270 nan 0.000 0.446 271 R N 0.826 121.261 120.500 -0.109 0.000 2.280 271 R HA 0.014 4.354 4.340 -0.000 0.000 0.207 271 R C 0.149 176.359 176.300 -0.149 0.000 1.043 271 R CA 0.332 56.359 56.100 -0.122 0.000 1.006 271 R CB -0.023 30.203 30.300 -0.123 0.000 0.885 271 R HN 0.090 nan 8.270 nan 0.000 0.467 272 K N 0.443 120.736 120.400 -0.178 0.000 3.257 272 K HA -0.260 4.060 4.320 -0.000 0.000 0.270 272 K C -0.249 176.134 176.600 -0.361 0.000 0.984 272 K CA 0.736 56.764 56.287 -0.432 0.000 0.739 272 K CB -0.930 31.236 32.500 -0.557 0.000 1.351 272 K HN 0.441 nan 8.250 nan 0.000 0.463 273 E N -0.278 119.898 120.200 -0.040 0.000 3.076 273 E HA 0.326 4.676 4.350 -0.000 0.000 0.279 273 E C 0.320 177.031 176.600 0.184 0.000 0.945 273 E CA -0.406 56.054 56.400 0.099 0.000 1.046 273 E CB 0.402 30.134 29.700 0.053 0.000 2.828 273 E HN 0.137 nan 8.360 nan 0.000 0.582 274 L N 1.271 122.555 121.223 0.103 0.000 2.313 274 L HA 0.302 4.642 4.340 -0.000 0.000 0.268 274 L C 0.374 177.254 176.870 0.017 0.000 1.010 274 L CA -0.704 54.151 54.840 0.025 0.000 0.814 274 L CB 1.224 43.300 42.059 0.030 0.000 1.304 274 L HN 0.215 nan 8.230 nan 0.000 0.441 275 D N 0.428 120.756 120.400 -0.120 0.000 2.201 275 D HA 0.134 4.774 4.640 -0.000 0.000 0.209 275 D C 0.279 176.509 176.300 -0.116 0.000 0.961 275 D CA 1.393 55.266 54.000 -0.211 0.000 0.861 275 D CB 0.451 40.782 40.800 -0.782 0.000 0.997 275 D HN 0.350 nan 8.370 nan 0.000 0.486 276 M N 0.168 119.676 119.600 -0.153 0.000 2.591 276 M HA 0.605 5.085 4.480 -0.000 0.000 0.306 276 M C -0.920 175.330 176.300 -0.084 0.000 1.190 276 M CA -0.928 54.339 55.300 -0.055 0.000 0.889 276 M CB 2.964 35.490 32.600 -0.123 0.000 1.728 276 M HN -0.251 nan 8.290 nan 0.000 0.458 277 A N 1.503 124.246 122.820 -0.127 0.000 2.337 277 A HA 0.880 5.200 4.320 -0.000 0.000 0.329 277 A C -1.614 175.822 177.584 -0.246 0.000 1.146 277 A CA -0.427 51.535 52.037 -0.124 0.000 0.800 277 A CB 0.654 19.601 19.000 -0.087 0.000 1.220 277 A HN 0.705 nan 8.150 nan 0.000 0.472 278 F N 1.672 121.545 119.950 -0.129 0.000 2.434 278 F HA 0.448 4.974 4.527 -0.000 0.000 0.355 278 F C 0.927 176.709 175.800 -0.030 0.000 1.115 278 F CA 0.058 58.003 58.000 -0.091 0.000 1.010 278 F CB 2.214 41.055 39.000 -0.265 0.000 1.234 278 F HN 0.696 nan 8.300 nan 0.000 0.439 279 T N -1.344 113.300 114.554 0.150 0.000 2.938 279 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 279 T C 0.144 174.961 174.700 0.195 0.000 1.028 279 T CA -0.423 61.791 62.100 0.189 0.000 1.005 279 T CB 1.329 70.235 68.868 0.063 0.000 1.157 279 T HN 0.213 nan 8.240 nan 0.000 0.550 280 F N -0.367 119.652 119.950 0.115 0.000 2.678 280 F HA 0.287 4.814 4.527 -0.000 0.000 0.305 280 F C 1.513 177.368 175.800 0.092 0.000 1.090 280 F CA -0.828 57.263 58.000 0.151 0.000 1.272 280 F CB -0.484 38.622 39.000 0.177 0.000 1.060 280 F HN 0.520 nan 8.300 nan 0.000 0.576 281 D N 0.685 121.200 120.400 0.193 0.000 2.126 281 D HA -0.230 4.410 4.640 -0.000 0.000 0.190 281 D C 2.207 178.559 176.300 0.088 0.000 1.001 281 D CA 1.507 55.569 54.000 0.104 0.000 0.841 281 D CB -0.231 40.580 40.800 0.017 0.000 0.949 281 D HN 0.133 nan 8.370 nan 0.000 0.446 282 L N 0.225 121.416 121.223 -0.054 0.000 2.007 282 L HA 0.039 4.378 4.340 -0.000 0.000 0.205 282 L C 1.981 178.915 176.870 0.106 0.000 1.073 282 L CA 1.308 56.048 54.840 -0.166 0.000 0.744 282 L CB -0.553 41.209 42.059 -0.495 0.000 0.898 282 L HN 0.093 nan 8.230 nan 0.000 0.435 283 I N -0.738 119.936 120.570 0.173 0.000 2.700 283 I HA -0.188 3.982 4.170 -0.000 0.000 0.261 283 I C 1.247 177.693 176.117 0.548 0.000 1.219 283 I CA 0.908 62.498 61.300 0.484 0.000 1.463 283 I CB -0.148 38.100 38.000 0.413 0.000 1.092 283 I HN 0.267 nan 8.210 nan 0.000 0.452 284 R N -0.546 120.216 120.500 0.437 0.000 2.613 284 R HA 0.047 4.387 4.340 -0.000 0.000 0.361 284 R C 1.233 177.739 176.300 0.343 0.000 1.072 284 R CA -0.109 56.210 56.100 0.366 0.000 1.089 284 R CB -0.284 30.205 30.300 0.314 0.000 1.343 284 R HN 0.486 nan 8.270 nan 0.000 0.571 285 Y N 1.506 121.922 120.300 0.194 0.000 2.315 285 Y HA -0.124 4.426 4.550 -0.000 0.000 0.288 285 Y C 0.701 176.671 175.900 0.117 0.000 1.154 285 Y CA 0.942 59.117 58.100 0.125 0.000 1.229 285 Y CB -0.314 38.210 38.460 0.108 0.000 0.980 285 Y HN -0.054 nan 8.280 nan 0.000 0.540 286 D N -0.444 119.770 120.400 -0.311 0.000 2.559 286 D HA 0.174 4.814 4.640 -0.000 0.000 0.234 286 D C -0.183 176.053 176.300 -0.106 0.000 1.226 286 D CA -0.305 53.459 54.000 -0.392 0.000 0.830 286 D CB -0.248 40.226 40.800 -0.543 0.000 1.028 286 D HN 0.176 nan 8.370 nan 0.000 0.492 287 R N 0.796 121.285 120.500 -0.018 0.000 2.407 287 R HA 0.694 5.033 4.340 -0.000 0.000 0.303 287 R C -0.343 175.931 176.300 -0.044 0.000 0.981 287 R CA -0.497 55.598 56.100 -0.008 0.000 0.905 287 R CB 1.205 31.538 30.300 0.056 0.000 1.099 287 R HN 0.054 nan 8.270 nan 0.000 0.459 288 A N 3.849 126.622 122.820 -0.079 0.000 2.327 288 A HA 0.181 4.501 4.320 -0.000 0.000 0.255 288 A C 1.089 178.619 177.584 -0.089 0.000 1.099 288 A CA -0.351 51.617 52.037 -0.114 0.000 0.801 288 A CB 0.134 19.027 19.000 -0.178 0.000 1.062 288 A HN 0.934 nan 8.150 nan 0.000 0.496 289 L N -0.305 120.860 121.223 -0.097 0.000 2.127 289 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 289 L C 1.905 178.757 176.870 -0.029 0.000 1.089 289 L CA 2.031 56.825 54.840 -0.075 0.000 0.757 289 L CB -0.379 41.631 42.059 -0.081 0.000 0.899 289 L HN 0.991 nan 8.230 nan 0.000 0.434 290 D N -1.035 119.333 120.400 -0.053 0.000 2.363 290 D HA -0.160 4.479 4.640 -0.000 0.000 0.220 290 D C 1.014 177.355 176.300 0.069 0.000 0.994 290 D CA 0.130 54.147 54.000 0.028 0.000 0.890 290 D CB -0.057 40.641 40.800 -0.171 0.000 0.906 290 D HN 0.236 nan 8.370 nan 0.000 0.530 291 R N -1.775 118.731 120.500 0.011 0.000 3.922 291 R HA -0.143 4.197 4.340 -0.000 0.000 0.447 291 R C 0.265 176.587 176.300 0.037 0.000 1.035 291 R CA 1.419 57.587 56.100 0.115 0.000 1.289 291 R CB -2.308 28.209 30.300 0.362 0.000 1.906 291 R HN 0.641 nan 8.270 nan 0.000 0.540 292 W N -1.044 119.983 121.300 -0.455 0.000 2.714 292 W HA 0.365 5.025 4.660 -0.000 0.000 0.353 292 W C -0.107 176.085 176.519 -0.544 0.000 0.999 292 W CA -0.269 56.691 57.345 -0.640 0.000 1.629 292 W CB -0.065 28.618 29.460 -1.295 0.000 1.106 292 W HN -0.040 nan 8.180 nan 0.000 0.545 293 H N 1.449 120.201 119.070 -0.530 0.000 2.651 293 H HA 0.504 5.060 4.556 -0.000 0.000 0.353 293 H C 0.380 175.558 175.328 -0.251 0.000 1.178 293 H CA 0.280 56.057 56.048 -0.452 0.000 1.224 293 H CB 2.171 31.563 29.762 -0.617 0.000 1.702 293 H HN -0.164 nan 8.280 nan 0.000 0.550 294 T N -0.462 114.068 114.554 -0.039 0.000 2.932 294 T HA 0.684 5.034 4.350 -0.000 0.000 0.289 294 T C -0.383 174.272 174.700 -0.074 0.000 1.039 294 T CA -0.900 61.167 62.100 -0.054 0.000 1.024 294 T CB 1.040 69.889 68.868 -0.031 0.000 1.090 294 T HN 0.377 nan 8.240 nan 0.000 0.496 295 I N 1.879 122.390 120.570 -0.099 0.000 2.465 295 I HA 0.401 4.570 4.170 -0.000 0.000 0.291 295 I C -2.548 173.497 176.117 -0.120 0.000 1.014 295 I CA -2.920 58.312 61.300 -0.113 0.000 1.093 295 I CB 2.498 40.421 38.000 -0.127 0.000 1.267 295 I HN 0.447 nan 8.210 nan 0.000 0.431 296 P HA 0.227 nan 4.420 nan 0.000 0.267 296 P C -0.892 176.348 177.300 -0.100 0.000 1.205 296 P CA -0.222 62.834 63.100 -0.073 0.000 0.765 296 P CB 0.537 32.211 31.700 -0.043 0.000 0.828 297 R N 1.021 121.458 120.500 -0.105 0.000 2.905 297 R HA 0.754 5.094 4.340 -0.000 0.000 0.260 297 R C 0.138 176.468 176.300 0.051 0.000 1.086 297 R CA -0.563 55.487 56.100 -0.082 0.000 0.978 297 R CB 1.298 31.404 30.300 -0.324 0.000 1.215 297 R HN 0.505 nan 8.270 nan 0.000 0.480 298 T N -2.871 111.747 114.554 0.108 0.000 2.858 298 T HA 0.268 4.618 4.350 -0.000 0.000 0.285 298 T C 0.900 175.653 174.700 0.089 0.000 1.052 298 T CA -0.792 61.357 62.100 0.081 0.000 1.009 298 T CB 0.926 69.804 68.868 0.016 0.000 1.241 298 T HN 0.300 nan 8.240 nan 0.000 0.542 299 L N 1.408 122.583 121.223 -0.080 0.000 2.079 299 L HA 0.130 4.470 4.340 -0.000 0.000 0.210 299 L C 2.750 179.526 176.870 -0.158 0.000 1.081 299 L CA 2.599 57.264 54.840 -0.293 0.000 0.752 299 L CB -1.483 40.276 42.059 -0.500 0.000 0.896 299 L HN 0.915 nan 8.230 nan 0.000 0.433 300 A N -0.662 122.108 122.820 -0.083 0.000 1.917 300 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 300 A C 2.017 179.596 177.584 -0.009 0.000 1.182 300 A CA 2.084 54.089 52.037 -0.053 0.000 0.633 300 A CB -0.838 18.146 19.000 -0.027 0.000 0.819 300 A HN 0.612 nan 8.150 nan 0.000 0.448 301 D N -1.393 119.052 120.400 0.075 0.000 2.144 301 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 301 D C 1.688 178.083 176.300 0.158 0.000 0.978 301 D CA 1.208 55.300 54.000 0.153 0.000 0.833 301 D CB -0.380 40.572 40.800 0.254 0.000 0.961 301 D HN 0.505 nan 8.370 nan 0.000 0.470 302 F N 3.006 122.910 119.950 -0.077 0.000 2.046 302 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 302 F C 2.588 178.125 175.800 -0.439 0.000 1.123 302 F CA 1.899 59.641 58.000 -0.431 0.000 1.199 302 F CB -0.057 38.618 39.000 -0.541 0.000 0.972 302 F HN -0.158 nan 8.300 nan 0.000 0.474 303 R N 0.212 120.556 120.500 -0.259 0.000 2.092 303 R HA -0.154 4.185 4.340 -0.000 0.000 0.231 303 R C 1.981 178.152 176.300 -0.215 0.000 1.119 303 R CA 1.726 57.583 56.100 -0.405 0.000 0.970 303 R CB -1.141 28.863 30.300 -0.492 0.000 0.864 303 R HN 0.413 nan 8.270 nan 0.000 0.440 304 Q N 0.606 120.326 119.800 -0.133 0.000 2.167 304 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 304 Q C 1.826 177.770 176.000 -0.093 0.000 0.970 304 Q CA 2.150 57.909 55.803 -0.074 0.000 0.855 304 Q CB 0.052 28.768 28.738 -0.036 0.000 0.911 304 Q HN 0.435 nan 8.270 nan 0.000 0.438 305 T N 0.985 115.456 114.554 -0.138 0.000 2.737 305 T HA -0.077 4.273 4.350 -0.000 0.000 0.265 305 T C 1.825 176.397 174.700 -0.214 0.000 1.038 305 T CA 0.822 62.833 62.100 -0.149 0.000 1.144 305 T CB -0.153 68.618 68.868 -0.162 0.000 0.866 305 T HN 0.201 nan 8.240 nan 0.000 0.434 306 I N 1.457 121.830 120.570 -0.328 0.000 2.264 306 I HA -0.215 3.954 4.170 -0.000 0.000 0.248 306 I C 2.202 178.178 176.117 -0.235 0.000 1.111 306 I CA 1.226 62.325 61.300 -0.336 0.000 1.382 306 I CB -0.379 37.367 38.000 -0.422 0.000 1.060 306 I HN 0.174 nan 8.210 nan 0.000 0.418 307 D N 0.953 121.283 120.400 -0.117 0.000 2.117 307 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 307 D C 2.186 178.466 176.300 -0.033 0.000 0.987 307 D CA 1.287 55.291 54.000 0.007 0.000 0.829 307 D CB -0.139 40.689 40.800 0.046 0.000 0.961 307 D HN 0.314 nan 8.370 nan 0.000 0.460 308 K N 0.210 120.573 120.400 -0.062 0.000 2.062 308 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 308 K C 2.181 178.736 176.600 -0.074 0.000 1.051 308 K CA 0.405 56.660 56.287 -0.053 0.000 0.941 308 K CB 0.003 32.475 32.500 -0.048 0.000 0.719 308 K HN -0.035 nan 8.250 nan 0.000 0.440 309 V N 1.763 121.606 119.914 -0.117 0.000 2.295 309 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 309 V C 1.990 177.992 176.094 -0.154 0.000 1.049 309 V CA 2.203 64.421 62.300 -0.138 0.000 1.024 309 V CB -0.457 31.255 31.823 -0.185 0.000 0.648 309 V HN 0.372 nan 8.190 nan 0.000 0.447 310 D N 0.230 120.513 120.400 -0.195 0.000 2.123 310 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 310 D C 2.100 178.339 176.300 -0.103 0.000 0.992 310 D CA 1.573 55.446 54.000 -0.212 0.000 0.833 310 D CB -0.169 40.461 40.800 -0.284 0.000 0.954 310 D HN 0.373 nan 8.370 nan 0.000 0.455 311 A N 0.264 123.053 122.820 -0.051 0.000 1.908 311 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 311 A C 2.141 179.720 177.584 -0.009 0.000 1.181 311 A CA 1.906 53.936 52.037 -0.012 0.000 0.627 311 A CB -0.998 18.002 19.000 -0.000 0.000 0.818 311 A HN 0.504 nan 8.150 nan 0.000 0.445 312 I N -2.148 118.409 120.570 -0.021 0.000 3.176 312 I HA 0.171 4.341 4.170 -0.000 0.000 0.275 312 I C 1.954 178.080 176.117 0.016 0.000 1.298 312 I CA 0.704 62.005 61.300 0.001 0.000 1.445 312 I CB -0.886 37.114 38.000 0.000 0.000 1.075 312 I HN 0.123 nan 8.210 nan 0.000 0.482 313 A N 1.001 123.818 122.820 -0.006 0.000 2.167 313 A HA 0.439 4.758 4.320 -0.000 0.000 0.214 313 A C 1.925 179.557 177.584 0.081 0.000 1.151 313 A CA 0.655 52.708 52.037 0.028 0.000 0.735 313 A CB -1.340 17.636 19.000 -0.040 0.000 0.802 313 A HN 0.720 nan 8.150 nan 0.000 0.467 314 G N -0.204 108.631 108.800 0.058 0.000 2.582 314 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.300 314 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.300 314 G C 0.716 175.648 174.900 0.053 0.000 1.300 314 G CA 0.595 45.736 45.100 0.069 0.000 0.959 314 G HN 0.553 nan 8.290 nan 0.000 0.548 315 E N -1.352 118.846 120.200 -0.003 0.000 2.340 315 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 315 E C 1.692 178.109 176.600 -0.305 0.000 0.996 315 E CA 0.651 56.932 56.400 -0.199 0.000 0.869 315 E CB 0.138 29.589 29.700 -0.415 0.000 0.835 315 E HN 0.596 nan 8.360 nan 0.000 0.493 316 Y N -0.753 119.608 120.300 0.102 0.000 2.467 316 Y HA 0.344 4.894 4.550 -0.000 0.000 0.250 316 Y C 0.972 176.968 175.900 0.160 0.000 1.155 316 Y CA 0.053 58.218 58.100 0.110 0.000 1.249 316 Y CB 1.163 39.667 38.460 0.073 0.000 1.146 316 Y HN -0.027 nan 8.280 nan 0.000 0.524 317 G N -0.939 108.036 108.800 0.293 0.000 2.521 317 G HA2 0.388 4.348 3.960 -0.000 0.000 0.323 317 G HA3 0.388 4.348 3.960 -0.000 0.000 0.323 317 G C -1.650 173.511 174.900 0.435 0.000 1.211 317 G CA -0.488 44.789 45.100 0.294 0.000 0.979 317 G HN 0.205 nan 8.290 nan 0.000 0.490 318 W N 0.690 122.056 121.300 0.109 0.000 3.439 318 W HA 0.323 4.983 4.660 -0.000 0.000 0.323 318 W C -1.449 175.095 176.519 0.041 0.000 1.174 318 W CA -0.692 56.722 57.345 0.114 0.000 1.224 318 W CB 2.007 31.638 29.460 0.285 0.000 1.348 318 W HN 0.409 nan 8.180 nan 0.000 0.498 319 N N 2.030 120.353 118.700 -0.627 0.000 2.472 319 N HA 0.387 5.127 4.740 -0.000 0.000 0.289 319 N C 0.056 175.277 175.510 -0.481 0.000 1.156 319 N CA 0.047 52.816 53.050 -0.470 0.000 0.940 319 N CB 2.042 40.273 38.487 -0.427 0.000 1.200 319 N HN 0.313 nan 8.380 nan 0.000 0.511 320 T N -2.192 112.139 114.554 -0.372 0.000 2.944 320 T HA 0.679 5.029 4.350 -0.000 0.000 0.284 320 T C -0.618 174.000 174.700 -0.137 0.000 1.010 320 T CA -0.571 61.372 62.100 -0.262 0.000 1.025 320 T CB 1.006 69.350 68.868 -0.873 0.000 1.079 320 T HN 0.335 nan 8.240 nan 0.000 0.516 321 F N 2.235 122.143 119.950 -0.069 0.000 2.581 321 F HA 0.682 5.209 4.527 -0.000 0.000 0.311 321 F C -1.977 173.864 175.800 0.068 0.000 1.113 321 F CA -1.613 56.258 58.000 -0.214 0.000 0.935 321 F CB 1.642 40.516 39.000 -0.210 0.000 1.232 321 F HN 0.826 nan 8.300 nan 0.000 0.445 322 F N 3.968 123.460 119.950 -0.763 0.000 2.693 322 F HA 0.585 5.112 4.527 -0.000 0.000 0.309 322 F C -1.439 174.066 175.800 -0.492 0.000 1.129 322 F CA -1.138 56.674 58.000 -0.315 0.000 0.948 322 F CB 1.288 40.311 39.000 0.037 0.000 1.315 322 F HN 0.348 nan 8.300 nan 0.000 0.447 323 L N 0.973 122.267 121.223 0.119 0.000 2.858 323 L HA 0.596 4.936 4.340 -0.000 0.000 0.251 323 L C 0.415 177.584 176.870 0.499 0.000 1.149 323 L CA 0.254 55.214 54.840 0.200 0.000 0.955 323 L CB 0.916 43.102 42.059 0.213 0.000 1.289 323 L HN 0.987 nan 8.230 nan 0.000 0.542 324 G N 0.156 109.220 108.800 0.439 0.000 2.698 324 G HA2 0.530 4.490 3.960 -0.000 0.000 0.293 324 G HA3 0.530 4.490 3.960 -0.000 0.000 0.293 324 G C -1.786 173.109 174.900 -0.008 0.000 1.437 324 G CA -0.306 44.937 45.100 0.238 0.000 0.852 324 G HN 0.131 nan 8.290 nan 0.000 0.499 325 N N -2.303 116.095 118.700 -0.504 0.000 3.373 325 N HA 0.168 4.908 4.740 -0.000 0.000 0.275 325 N C 0.681 175.457 175.510 -1.222 0.000 1.489 325 N CA -0.251 52.297 53.050 -0.838 0.000 0.872 325 N CB 0.225 38.465 38.487 -0.411 0.000 1.555 325 N HN 0.591 nan 8.380 nan 0.000 0.500 326 H N -1.719 116.834 119.070 -0.861 0.000 2.545 326 H HA 0.142 4.698 4.556 -0.000 0.000 0.282 326 H C -0.727 174.390 175.328 -0.351 0.000 1.020 326 H CA 1.013 56.708 56.048 -0.588 0.000 1.243 326 H CB -0.191 29.441 29.762 -0.218 0.000 1.377 326 H HN 0.551 nan 8.280 nan 0.000 0.581 327 D N 0.309 120.267 120.400 -0.738 0.000 2.402 327 D HA 0.158 4.797 4.640 -0.000 0.000 0.216 327 D C -0.114 176.041 176.300 -0.241 0.000 1.128 327 D CA -0.040 53.680 54.000 -0.467 0.000 0.833 327 D CB 0.531 41.022 40.800 -0.516 0.000 0.971 327 D HN 0.364 nan 8.370 nan 0.000 0.503 328 N N 0.699 119.248 118.700 -0.252 0.000 2.647 328 N HA 0.269 5.009 4.740 -0.000 0.000 0.266 328 N C -2.760 172.671 175.510 -0.132 0.000 1.373 328 N CA -1.141 51.820 53.050 -0.148 0.000 0.807 328 N CB 3.032 41.463 38.487 -0.093 0.000 1.513 328 N HN -0.192 nan 8.380 nan 0.000 0.505 329 P HA 0.073 nan 4.420 nan 0.000 0.271 329 P C -0.393 176.900 177.300 -0.011 0.000 1.233 329 P CA -0.212 62.850 63.100 -0.064 0.000 0.789 329 P CB 0.774 32.396 31.700 -0.129 0.000 0.951 330 R N 0.892 121.424 120.500 0.053 0.000 2.522 330 R HA 0.099 4.439 4.340 -0.000 0.000 0.284 330 R C 1.709 178.113 176.300 0.174 0.000 1.032 330 R CA 0.335 56.503 56.100 0.113 0.000 1.049 330 R CB -0.322 30.041 30.300 0.103 0.000 0.956 330 R HN 0.574 nan 8.270 nan 0.000 0.422 331 A N 3.915 126.892 122.820 0.261 0.000 1.915 331 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 331 A C 2.107 179.884 177.584 0.321 0.000 1.198 331 A CA 2.159 54.436 52.037 0.399 0.000 0.647 331 A CB -0.556 18.703 19.000 0.432 0.000 0.825 331 A HN 0.539 nan 8.150 nan 0.000 0.456 332 V N -0.372 119.662 119.914 0.200 0.000 2.407 332 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 332 V C 2.637 178.774 176.094 0.071 0.000 1.055 332 V CA 2.698 65.056 62.300 0.096 0.000 1.049 332 V CB -0.376 31.471 31.823 0.040 0.000 0.662 332 V HN 0.595 nan 8.190 nan 0.000 0.455 333 S N -1.620 114.135 115.700 0.092 0.000 2.387 333 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 333 S C 1.785 176.453 174.600 0.114 0.000 1.026 333 S CA 1.479 59.728 58.200 0.081 0.000 0.972 333 S CB -0.430 62.814 63.200 0.072 0.000 0.814 333 S HN 0.855 nan 8.310 nan 0.000 0.477 334 H N -0.742 118.302 119.070 -0.044 0.000 2.317 334 H HA 0.019 4.575 4.556 -0.000 0.000 0.304 334 H C 1.139 176.335 175.328 -0.219 0.000 1.067 334 H CA 1.401 57.317 56.048 -0.220 0.000 1.352 334 H CB 0.052 29.526 29.762 -0.481 0.000 1.398 334 H HN 0.409 nan 8.280 nan 0.000 0.510 335 F N -0.213 119.828 119.950 0.152 0.000 2.717 335 F HA 0.259 4.786 4.527 -0.000 0.000 0.295 335 F C 1.605 177.483 175.800 0.130 0.000 1.117 335 F CA 0.401 58.462 58.000 0.102 0.000 1.361 335 F CB 0.394 39.462 39.000 0.114 0.000 1.112 335 F HN 0.130 nan 8.300 nan 0.000 0.594 336 G N -1.244 107.650 108.800 0.156 0.000 3.019 336 G HA2 0.268 4.227 3.960 -0.000 0.000 0.152 336 G HA3 0.268 4.227 3.960 -0.000 0.000 0.152 336 G C -1.352 173.484 174.900 -0.107 0.000 1.320 336 G CA -0.110 44.890 45.100 -0.167 0.000 1.013 336 G HN -0.034 nan 8.290 nan 0.000 0.593 337 D N 0.107 120.324 120.400 -0.305 0.000 2.476 337 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 337 D C -0.417 175.854 176.300 -0.049 0.000 1.291 337 D CA -0.451 53.501 54.000 -0.079 0.000 0.939 337 D CB 1.439 42.217 40.800 -0.036 0.000 1.221 337 D HN 0.277 nan 8.370 nan 0.000 0.567 338 D N 2.315 122.720 120.400 0.008 0.000 2.336 338 D HA -0.014 4.626 4.640 -0.000 0.000 0.229 338 D C 0.386 176.703 176.300 0.029 0.000 1.061 338 D CA -0.161 53.843 54.000 0.006 0.000 0.875 338 D CB -0.051 40.754 40.800 0.008 0.000 0.904 338 D HN 0.157 nan 8.370 nan 0.000 0.525 339 R N 0.813 121.365 120.500 0.087 0.000 2.679 339 R HA 0.107 4.447 4.340 -0.000 0.000 0.268 339 R C -1.444 174.873 176.300 0.029 0.000 1.044 339 R CA -1.080 55.072 56.100 0.087 0.000 1.105 339 R CB 0.209 30.620 30.300 0.186 0.000 0.989 339 R HN -0.025 nan 8.270 nan 0.000 0.447 340 P HA -0.308 nan 4.420 nan 0.000 0.219 340 P C 1.013 178.233 177.300 -0.132 0.000 1.158 340 P CA 1.477 64.533 63.100 -0.073 0.000 0.895 340 P CB 0.127 31.781 31.700 -0.077 0.000 0.792 341 Q N -1.979 117.684 119.800 -0.227 0.000 2.435 341 Q HA -0.114 4.225 4.340 -0.000 0.000 0.207 341 Q C 1.146 176.793 176.000 -0.587 0.000 0.956 341 Q CA 1.282 56.806 55.803 -0.465 0.000 0.917 341 Q CB -0.929 27.409 28.738 -0.666 0.000 0.997 341 Q HN 0.457 nan 8.270 nan 0.000 0.497 342 W N 0.334 121.598 121.300 -0.059 0.000 2.871 342 W HA 0.401 5.061 4.660 -0.000 0.000 0.340 342 W C 2.194 178.569 176.519 -0.240 0.000 1.058 342 W CA -0.731 56.539 57.345 -0.125 0.000 1.633 342 W CB 0.538 29.941 29.460 -0.096 0.000 1.067 342 W HN 0.013 nan 8.180 nan 0.000 0.554 343 R N 1.738 122.242 120.500 0.007 0.000 2.094 343 R HA -0.217 4.123 4.340 -0.000 0.000 0.239 343 R C 1.620 177.868 176.300 -0.087 0.000 1.137 343 R CA 2.428 58.492 56.100 -0.060 0.000 0.943 343 R CB -0.215 30.061 30.300 -0.040 0.000 0.850 343 R HN 0.234 nan 8.270 nan 0.000 0.433 344 E N -0.335 119.829 120.200 -0.059 0.000 2.051 344 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 344 E C 2.023 178.570 176.600 -0.087 0.000 0.991 344 E CA 1.084 57.454 56.400 -0.050 0.000 0.799 344 E CB -0.154 29.525 29.700 -0.034 0.000 0.748 344 E HN 0.486 nan 8.360 nan 0.000 0.449 345 A N 1.787 124.566 122.820 -0.070 0.000 1.858 345 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 345 A C 2.415 179.885 177.584 -0.189 0.000 1.190 345 A CA 2.257 54.264 52.037 -0.050 0.000 0.617 345 A CB -0.724 18.377 19.000 0.169 0.000 0.827 345 A HN 0.343 nan 8.150 nan 0.000 0.443 346 S N 0.056 115.444 115.700 -0.521 0.000 2.402 346 S HA 0.092 4.562 4.470 -0.000 0.000 0.229 346 S C 2.085 176.401 174.600 -0.473 0.000 1.021 346 S CA 1.264 58.846 58.200 -1.031 0.000 0.974 346 S CB -0.648 61.400 63.200 -1.920 0.000 0.800 346 S HN 0.895 nan 8.310 nan 0.000 0.484 347 A N 2.377 125.046 122.820 -0.251 0.000 1.902 347 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 347 A C 2.269 179.857 177.584 0.007 0.000 1.181 347 A CA 1.630 53.641 52.037 -0.044 0.000 0.623 347 A CB -0.632 18.395 19.000 0.045 0.000 0.818 347 A HN 0.577 nan 8.150 nan 0.000 0.443 348 K N -0.331 120.025 120.400 -0.073 0.000 2.057 348 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 348 K C 2.311 178.876 176.600 -0.058 0.000 1.049 348 K CA 1.117 57.323 56.287 -0.134 0.000 0.931 348 K CB -0.335 31.817 32.500 -0.580 0.000 0.714 348 K HN 0.443 nan 8.250 nan 0.000 0.440 349 A N 1.362 124.135 122.820 -0.079 0.000 1.908 349 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 349 A C 2.103 179.707 177.584 0.032 0.000 1.181 349 A CA 1.343 53.385 52.037 0.009 0.000 0.627 349 A CB -0.681 18.375 19.000 0.094 0.000 0.818 349 A HN 0.174 nan 8.150 nan 0.000 0.445 350 L N -0.919 120.303 121.223 -0.001 0.000 2.131 350 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 350 L C 3.070 180.021 176.870 0.135 0.000 1.092 350 L CA 0.913 55.813 54.840 0.099 0.000 0.759 350 L CB -0.544 41.592 42.059 0.128 0.000 0.903 350 L HN 0.457 nan 8.230 nan 0.000 0.435 351 A N -0.360 122.468 122.820 0.012 0.000 1.933 351 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 351 A C 2.355 179.876 177.584 -0.106 0.000 1.175 351 A CA 2.252 54.125 52.037 -0.274 0.000 0.628 351 A CB -0.821 17.632 19.000 -0.912 0.000 0.814 351 A HN 0.367 nan 8.150 nan 0.000 0.444 352 T N -0.366 114.218 114.554 0.049 0.000 2.746 352 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 352 T C 1.884 176.630 174.700 0.077 0.000 1.039 352 T CA 1.527 63.663 62.100 0.060 0.000 1.142 352 T CB -0.394 68.556 68.868 0.136 0.000 0.866 352 T HN 0.165 nan 8.240 nan 0.000 0.444 353 V N 1.608 121.625 119.914 0.172 0.000 2.237 353 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 353 V C 2.811 178.993 176.094 0.147 0.000 1.046 353 V CA 2.169 64.624 62.300 0.259 0.000 1.007 353 V CB -1.263 30.837 31.823 0.462 0.000 0.638 353 V HN 0.508 nan 8.190 nan 0.000 0.445 354 T N 0.625 115.340 114.554 0.267 0.000 2.685 354 T HA -0.208 4.141 4.350 -0.000 0.000 0.268 354 T C 1.628 176.430 174.700 0.171 0.000 1.034 354 T CA 1.738 64.064 62.100 0.376 0.000 1.149 354 T CB -0.360 68.765 68.868 0.429 0.000 0.860 354 T HN 0.303 nan 8.240 nan 0.000 0.449 355 L N 1.243 122.512 121.223 0.077 0.000 2.591 355 L HA 0.131 4.470 4.340 -0.000 0.000 0.228 355 L C 1.959 178.808 176.870 -0.035 0.000 1.133 355 L CA 0.687 55.535 54.840 0.013 0.000 0.880 355 L CB -0.207 41.820 42.059 -0.052 0.000 1.033 355 L HN 0.371 nan 8.230 nan 0.000 0.450 356 T N -5.612 108.923 114.554 -0.031 0.000 3.091 356 T HA 0.200 4.550 4.350 -0.000 0.000 0.277 356 T C 0.707 175.407 174.700 0.000 0.000 0.996 356 T CA -0.467 61.630 62.100 -0.005 0.000 0.897 356 T CB 0.257 69.132 68.868 0.010 0.000 1.109 356 T HN -0.081 nan 8.240 nan 0.000 0.534 357 Q N 2.052 121.718 119.800 -0.224 0.000 2.306 357 Q HA 0.316 4.655 4.340 -0.000 0.000 0.241 357 Q C -0.047 175.748 176.000 -0.341 0.000 0.948 357 Q CA -0.296 55.199 55.803 -0.514 0.000 0.886 357 Q CB 1.546 29.527 28.738 -1.262 0.000 1.227 357 Q HN 0.446 nan 8.270 nan 0.000 0.457 358 R N 0.340 120.589 120.500 -0.418 0.000 2.316 358 R HA 0.433 4.773 4.340 -0.000 0.000 0.314 358 R C -0.065 175.945 176.300 -0.484 0.000 1.069 358 R CA 0.717 56.634 56.100 -0.306 0.000 0.959 358 R CB -0.129 30.006 30.300 -0.275 0.000 0.987 358 R HN 0.810 nan 8.270 nan 0.000 0.446 359 G N 1.619 110.161 108.800 -0.430 0.000 2.346 359 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.294 359 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.294 359 G C -1.297 173.641 174.900 0.063 0.000 1.294 359 G CA -0.901 43.805 45.100 -0.656 0.000 0.962 359 G HN 0.434 nan 8.290 nan 0.000 0.508 360 T N 3.751 118.437 114.554 0.220 0.000 2.738 360 T HA 0.610 4.960 4.350 -0.000 0.000 0.298 360 T C -2.257 172.682 174.700 0.400 0.000 0.962 360 T CA -0.658 61.704 62.100 0.436 0.000 0.972 360 T CB 1.717 70.935 68.868 0.583 0.000 0.928 360 T HN 0.521 nan 8.240 nan 0.000 0.474 361 P HA 0.323 nan 4.420 nan 0.000 0.276 361 P C -1.123 176.391 177.300 0.357 0.000 1.230 361 P CA -0.452 62.895 63.100 0.412 0.000 0.776 361 P CB 0.537 32.429 31.700 0.319 0.000 0.888 362 F N 2.721 122.924 119.950 0.423 0.000 2.460 362 F HA 0.432 4.959 4.527 -0.000 0.000 0.341 362 F C 0.576 176.624 175.800 0.414 0.000 1.130 362 F CA -0.699 57.584 58.000 0.472 0.000 0.962 362 F CB 1.300 40.615 39.000 0.524 0.000 1.171 362 F HN 0.108 nan 8.300 nan 0.000 0.436 363 I N 4.605 125.421 120.570 0.410 0.000 2.315 363 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 363 I C -0.473 175.654 176.117 0.017 0.000 1.006 363 I CA -0.722 60.734 61.300 0.260 0.000 1.265 363 I CB 0.872 39.002 38.000 0.216 0.000 1.387 363 I HN 0.390 nan 8.210 nan 0.000 0.475 364 F N 6.856 126.784 119.950 -0.038 0.000 2.412 364 F HA 0.187 4.714 4.527 -0.000 0.000 0.348 364 F C 0.797 176.429 175.800 -0.279 0.000 1.102 364 F CA -0.693 57.217 58.000 -0.151 0.000 1.196 364 F CB 0.711 39.709 39.000 -0.002 0.000 1.144 364 F HN 0.513 nan 8.300 nan 0.000 0.541 365 Q N 4.678 123.762 119.800 -1.193 0.000 2.398 365 Q HA 0.256 4.596 4.340 -0.000 0.000 0.329 365 Q C 0.796 176.700 176.000 -0.160 0.000 1.079 365 Q CA 0.677 56.178 55.803 -0.504 0.000 1.041 365 Q CB -0.046 28.636 28.738 -0.094 0.000 1.084 365 Q HN 1.176 nan 8.270 nan 0.000 0.386 366 G N 3.154 112.053 108.800 0.166 0.000 2.284 366 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.230 366 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.230 366 G C 0.416 175.267 174.900 -0.082 0.000 1.021 366 G CA 0.160 45.152 45.100 -0.179 0.000 0.619 366 G HN 0.687 nan 8.290 nan 0.000 0.510 367 D N 1.394 121.791 120.400 -0.006 0.000 2.312 367 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 367 D C 2.406 178.613 176.300 -0.155 0.000 0.964 367 D CA 1.215 55.233 54.000 0.029 0.000 0.877 367 D CB -0.087 40.812 40.800 0.164 0.000 0.924 367 D HN 0.764 nan 8.370 nan 0.000 0.515 368 E N 0.705 120.716 120.200 -0.314 0.000 2.418 368 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 368 E C 1.719 178.313 176.600 -0.010 0.000 1.026 368 E CA 0.354 56.409 56.400 -0.574 0.000 0.862 368 E CB -0.231 29.315 29.700 -0.256 0.000 0.799 368 E HN 0.335 nan 8.360 nan 0.000 0.518 369 L N -0.442 120.791 121.223 0.017 0.000 2.556 369 L HA 0.312 4.651 4.340 -0.000 0.000 0.226 369 L C 1.237 178.129 176.870 0.036 0.000 1.089 369 L CA 0.363 55.227 54.840 0.040 0.000 0.864 369 L CB 0.249 42.231 42.059 -0.128 0.000 1.067 369 L HN 0.316 nan 8.230 nan 0.000 0.477 370 G N 0.858 109.685 108.800 0.044 0.000 2.140 370 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.211 370 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.211 370 G C 0.148 175.048 174.900 0.001 0.000 1.013 370 G CA -0.316 44.815 45.100 0.052 0.000 0.705 370 G HN 0.132 nan 8.290 nan 0.000 0.508 371 M N 1.199 120.781 119.600 -0.030 0.000 2.252 371 M HA 0.415 4.895 4.480 -0.000 0.000 0.333 371 M C 1.369 177.671 176.300 0.002 0.000 1.111 371 M CA 1.288 56.558 55.300 -0.050 0.000 1.140 371 M CB 0.556 33.093 32.600 -0.105 0.000 1.538 371 M HN 0.562 nan 8.290 nan 0.000 0.448 372 T N -0.891 113.657 114.554 -0.011 0.000 2.841 372 T HA 0.475 4.825 4.350 -0.000 0.000 0.276 372 T C 0.080 174.787 174.700 0.011 0.000 1.003 372 T CA -1.214 60.890 62.100 0.006 0.000 0.995 372 T CB 0.817 69.674 68.868 -0.019 0.000 1.260 372 T HN 0.529 nan 8.240 nan 0.000 0.581 373 N N -0.005 118.706 118.700 0.019 0.000 2.326 373 N HA 0.216 4.956 4.740 -0.000 0.000 0.239 373 N C -1.097 174.388 175.510 -0.042 0.000 1.301 373 N CA -0.203 52.868 53.050 0.036 0.000 0.909 373 N CB -0.100 38.428 38.487 0.069 0.000 1.156 373 N HN 0.717 nan 8.380 nan 0.000 0.462 374 Y N 1.316 121.449 120.300 -0.279 0.000 2.361 374 Y HA 0.365 4.915 4.550 -0.000 0.000 0.332 374 Y C -2.001 173.515 175.900 -0.639 0.000 1.101 374 Y CA -2.138 55.633 58.100 -0.549 0.000 1.137 374 Y CB 1.472 39.405 38.460 -0.880 0.000 1.207 374 Y HN 0.417 nan 8.280 nan 0.000 0.463 375 P HA 0.089 nan 4.420 nan 0.000 0.244 375 P C -1.091 175.887 177.300 -0.538 0.000 1.769 375 P CA 0.164 62.862 63.100 -0.671 0.000 1.102 375 P CB -0.831 30.536 31.700 -0.556 0.000 1.937 376 F N 2.319 122.222 119.950 -0.078 0.000 2.563 376 F HA 0.063 4.589 4.527 -0.000 0.000 0.363 376 F C 1.838 177.638 175.800 0.000 0.000 1.123 376 F CA 0.512 58.492 58.000 -0.033 0.000 1.307 376 F CB 0.478 39.339 39.000 -0.231 0.000 1.115 376 F HN 0.067 nan 8.300 nan 0.000 0.592 377 K N 0.215 120.735 120.400 0.200 0.000 2.387 377 K HA 0.130 4.449 4.320 -0.000 0.000 0.197 377 K C 0.591 177.294 176.600 0.171 0.000 1.127 377 K CA 0.697 57.069 56.287 0.141 0.000 0.950 377 K CB 0.280 32.826 32.500 0.077 0.000 1.017 377 K HN 0.757 nan 8.250 nan 0.000 0.519 378 T N -2.376 112.299 114.554 0.203 0.000 2.865 378 T HA 0.339 4.689 4.350 -0.000 0.000 0.294 378 T C 0.691 175.570 174.700 0.299 0.000 1.119 378 T CA -0.753 61.466 62.100 0.198 0.000 1.007 378 T CB 1.063 70.007 68.868 0.127 0.000 1.225 378 T HN -0.229 nan 8.240 nan 0.000 0.515 379 L N 0.538 121.905 121.223 0.239 0.000 2.201 379 L HA 0.094 4.433 4.340 -0.000 0.000 0.212 379 L C 2.474 179.501 176.870 0.262 0.000 1.105 379 L CA 1.629 56.617 54.840 0.248 0.000 0.775 379 L CB -1.492 40.595 42.059 0.047 0.000 0.913 379 L HN 0.719 nan 8.230 nan 0.000 0.440 380 Q N -0.762 119.128 119.800 0.151 0.000 2.436 380 Q HA -0.094 4.245 4.340 -0.000 0.000 0.209 380 Q C 1.365 177.430 176.000 0.108 0.000 0.965 380 Q CA 0.627 56.488 55.803 0.096 0.000 0.910 380 Q CB -0.192 28.574 28.738 0.047 0.000 0.980 380 Q HN 0.389 nan 8.270 nan 0.000 0.491 381 D N -0.980 119.501 120.400 0.136 0.000 2.363 381 D HA -0.015 4.624 4.640 -0.000 0.000 0.220 381 D C -0.576 175.679 176.300 -0.074 0.000 0.994 381 D CA 0.337 54.361 54.000 0.039 0.000 0.890 381 D CB 0.113 40.984 40.800 0.118 0.000 0.906 381 D HN 0.146 nan 8.370 nan 0.000 0.530 382 F N 0.186 120.129 119.950 -0.011 0.000 2.408 382 F HA 0.183 4.710 4.527 -0.000 0.000 0.344 382 F C 1.503 177.268 175.800 -0.059 0.000 1.112 382 F CA -0.968 56.967 58.000 -0.108 0.000 1.096 382 F CB 1.579 40.429 39.000 -0.249 0.000 1.129 382 F HN -0.290 nan 8.300 nan 0.000 0.486 383 D N 0.299 120.783 120.400 0.140 0.000 2.301 383 D HA -0.101 4.539 4.640 -0.000 0.000 0.206 383 D C 0.247 176.624 176.300 0.127 0.000 0.979 383 D CA 0.213 54.302 54.000 0.148 0.000 0.874 383 D CB 0.072 41.022 40.800 0.251 0.000 0.968 383 D HN 0.381 nan 8.370 nan 0.000 0.510 384 D N 0.763 121.231 120.400 0.113 0.000 2.531 384 D HA -0.115 4.525 4.640 -0.000 0.000 0.239 384 D C 1.409 177.630 176.300 -0.131 0.000 1.144 384 D CA 0.113 54.116 54.000 0.006 0.000 0.869 384 D CB 0.497 41.292 40.800 -0.007 0.000 1.160 384 D HN 0.312 nan 8.370 nan 0.000 0.484 385 I N 3.148 123.582 120.570 -0.226 0.000 2.454 385 I HA -0.206 3.963 4.170 -0.000 0.000 0.254 385 I C 1.872 177.689 176.117 -0.500 0.000 1.156 385 I CA 1.171 62.269 61.300 -0.336 0.000 1.433 385 I CB 0.070 37.824 38.000 -0.411 0.000 1.082 385 I HN 0.547 nan 8.210 nan 0.000 0.432 386 E N 0.220 120.039 120.200 -0.636 0.000 2.153 386 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 386 E C 2.111 178.247 176.600 -0.774 0.000 0.988 386 E CA 1.462 57.471 56.400 -0.652 0.000 0.811 386 E CB 0.106 29.534 29.700 -0.453 0.000 0.746 386 E HN 0.448 nan 8.360 nan 0.000 0.466 387 V N 1.730 121.346 119.914 -0.496 0.000 2.427 387 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 387 V C 2.305 178.258 176.094 -0.235 0.000 1.051 387 V CA 1.686 63.755 62.300 -0.384 0.000 1.048 387 V CB -0.395 31.185 31.823 -0.406 0.000 0.666 387 V HN 0.224 nan 8.190 nan 0.000 0.456 388 K N 0.615 120.897 120.400 -0.196 0.000 2.057 388 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 388 K C 2.282 178.879 176.600 -0.005 0.000 1.049 388 K CA 1.588 57.825 56.287 -0.084 0.000 0.931 388 K CB -0.846 31.599 32.500 -0.091 0.000 0.714 388 K HN 0.540 nan 8.250 nan 0.000 0.440 389 G N 1.337 110.076 108.800 -0.102 0.000 2.440 389 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 389 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 389 G C 1.300 176.269 174.900 0.115 0.000 1.154 389 G CA 0.553 45.653 45.100 -0.000 0.000 0.767 389 G HN 0.108 nan 8.290 nan 0.000 0.552 390 F N -0.050 119.937 119.950 0.062 0.000 2.171 390 F HA 0.117 4.644 4.527 -0.000 0.000 0.300 390 F C 2.212 178.012 175.800 -0.000 0.000 1.090 390 F CA -0.059 57.938 58.000 -0.007 0.000 1.293 390 F CB -1.092 37.615 39.000 -0.488 0.000 1.013 390 F HN 0.163 nan 8.300 nan 0.000 0.486 391 F N 1.020 120.986 119.950 0.027 0.000 2.075 391 F HA -0.250 4.277 4.527 -0.000 0.000 0.297 391 F C 2.732 178.549 175.800 0.027 0.000 1.113 391 F CA 2.113 60.100 58.000 -0.021 0.000 1.218 391 F CB -0.650 38.316 39.000 -0.056 0.000 0.984 391 F HN 0.032 nan 8.300 nan 0.000 0.472 392 Q N -0.020 119.929 119.800 0.249 0.000 2.061 392 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 392 Q C 1.580 177.595 176.000 0.025 0.000 0.984 392 Q CA 2.179 58.066 55.803 0.141 0.000 0.846 392 Q CB -0.296 28.523 28.738 0.135 0.000 0.902 392 Q HN 0.376 nan 8.270 nan 0.000 0.421 393 D N -1.237 119.189 120.400 0.042 0.000 2.249 393 D HA -0.067 4.573 4.640 -0.000 0.000 0.205 393 D C 0.918 176.986 176.300 -0.387 0.000 0.962 393 D CA 0.958 54.862 54.000 -0.160 0.000 0.860 393 D CB 0.183 40.876 40.800 -0.178 0.000 0.955 393 D HN 0.417 nan 8.370 nan 0.000 0.505 394 Y N -0.886 119.402 120.300 -0.020 0.000 2.526 394 Y HA 0.124 4.674 4.550 -0.000 0.000 0.265 394 Y C 2.127 177.933 175.900 -0.157 0.000 1.092 394 Y CA -0.035 58.050 58.100 -0.026 0.000 1.277 394 Y CB 0.297 38.788 38.460 0.051 0.000 1.228 394 Y HN -0.231 nan 8.280 nan 0.000 0.507 395 V N 0.151 119.922 119.914 -0.237 0.000 2.426 395 V HA -0.121 3.999 4.120 -0.000 0.000 0.242 395 V C 1.724 177.575 176.094 -0.404 0.000 1.036 395 V CA 1.646 63.661 62.300 -0.476 0.000 1.044 395 V CB -0.233 30.900 31.823 -1.149 0.000 0.688 395 V HN 0.321 nan 8.190 nan 0.000 0.462 396 E N 0.812 120.778 120.200 -0.390 0.000 2.204 396 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 396 E C 2.055 178.598 176.600 -0.095 0.000 0.989 396 E CA 1.715 58.010 56.400 -0.174 0.000 0.824 396 E CB -0.225 29.443 29.700 -0.053 0.000 0.756 396 E HN 0.770 nan 8.360 nan 0.000 0.477 397 T N -2.696 111.798 114.554 -0.099 0.000 3.100 397 T HA 0.212 4.562 4.350 -0.000 0.000 0.253 397 T C 1.563 176.236 174.700 -0.045 0.000 1.118 397 T CA 0.369 62.428 62.100 -0.067 0.000 1.058 397 T CB 0.403 69.216 68.868 -0.091 0.000 0.953 397 T HN 0.259 nan 8.240 nan 0.000 0.515 398 G N 1.907 110.675 108.800 -0.053 0.000 2.153 398 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.252 398 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.252 398 G C 0.739 175.651 174.900 0.019 0.000 0.994 398 G CA 0.512 45.597 45.100 -0.024 0.000 0.698 398 G HN 0.571 nan 8.290 nan 0.000 0.521 399 K N -0.189 120.244 120.400 0.055 0.000 2.366 399 K HA 0.455 4.775 4.320 -0.000 0.000 0.198 399 K C 1.140 177.848 176.600 0.179 0.000 1.044 399 K CA 1.101 57.466 56.287 0.130 0.000 0.973 399 K CB 0.191 32.820 32.500 0.216 0.000 0.767 399 K HN 0.935 nan 8.250 nan 0.000 0.475 400 A N 0.519 123.429 122.820 0.150 0.000 2.610 400 A HA 0.385 4.705 4.320 -0.000 0.000 0.291 400 A C -0.520 177.090 177.584 0.044 0.000 1.086 400 A CA -0.882 51.250 52.037 0.159 0.000 0.677 400 A CB 1.051 20.253 19.000 0.337 0.000 1.278 400 A HN 0.100 nan 8.150 nan 0.000 0.414 401 T N -1.268 113.315 114.554 0.048 0.000 2.902 401 T HA 0.599 4.949 4.350 -0.000 0.000 0.280 401 T C 1.341 176.033 174.700 -0.012 0.000 0.992 401 T CA 0.248 62.353 62.100 0.008 0.000 1.015 401 T CB 1.365 70.255 68.868 0.037 0.000 1.044 401 T HN 1.828 nan 8.240 nan 0.000 0.520 402 A N 0.564 123.387 122.820 0.004 0.000 1.933 402 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 402 A C 2.575 180.194 177.584 0.058 0.000 1.175 402 A CA 2.042 54.117 52.037 0.063 0.000 0.628 402 A CB -1.769 17.346 19.000 0.190 0.000 0.814 402 A HN 1.160 nan 8.150 nan 0.000 0.444 403 E N 0.256 120.495 120.200 0.064 0.000 2.106 403 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 403 E C 1.763 178.407 176.600 0.073 0.000 0.984 403 E CA 1.438 57.881 56.400 0.071 0.000 0.806 403 E CB -0.751 28.991 29.700 0.069 0.000 0.750 403 E HN 0.848 nan 8.360 nan 0.000 0.458 404 E N -0.467 119.781 120.200 0.082 0.000 2.051 404 E HA -0.120 4.229 4.350 -0.000 0.000 0.192 404 E C 2.222 178.908 176.600 0.143 0.000 0.991 404 E CA 1.152 57.634 56.400 0.137 0.000 0.799 404 E CB -0.172 29.642 29.700 0.190 0.000 0.748 404 E HN 0.402 nan 8.360 nan 0.000 0.449 405 L N 1.279 122.489 121.223 -0.022 0.000 2.012 405 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 405 L C 2.242 179.015 176.870 -0.163 0.000 1.073 405 L CA 1.461 56.112 54.840 -0.314 0.000 0.748 405 L CB -0.727 41.052 42.059 -0.467 0.000 0.891 405 L HN 0.158 nan 8.230 nan 0.000 0.431 406 L N -0.852 120.338 121.223 -0.056 0.000 1.989 406 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 406 L C 2.340 179.267 176.870 0.096 0.000 1.071 406 L CA 2.613 57.471 54.840 0.030 0.000 0.749 406 L CB -1.346 40.782 42.059 0.114 0.000 0.890 406 L HN 0.367 nan 8.230 nan 0.000 0.431 407 T N 0.438 115.050 114.554 0.098 0.000 2.635 407 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 407 T C 1.749 176.511 174.700 0.104 0.000 1.040 407 T CA 1.943 64.108 62.100 0.109 0.000 1.156 407 T CB -0.345 68.582 68.868 0.099 0.000 0.863 407 T HN 0.467 nan 8.240 nan 0.000 0.430 408 N N 0.361 119.117 118.700 0.094 0.000 2.207 408 N HA 0.002 4.742 4.740 -0.000 0.000 0.182 408 N C 1.929 177.470 175.510 0.051 0.000 1.020 408 N CA 0.615 53.701 53.050 0.059 0.000 0.858 408 N CB -0.507 37.973 38.487 -0.011 0.000 0.991 408 N HN 0.141 nan 8.380 nan 0.000 0.427 409 V N 1.874 121.801 119.914 0.022 0.000 2.970 409 V HA -0.039 4.080 4.120 -0.000 0.000 0.260 409 V C 2.162 178.287 176.094 0.052 0.000 1.100 409 V CA 1.201 63.475 62.300 -0.043 0.000 1.122 409 V CB -0.618 31.043 31.823 -0.269 0.000 0.721 409 V HN 0.236 nan 8.190 nan 0.000 0.483 410 A N -0.547 122.379 122.820 0.178 0.000 2.019 410 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 410 A C 1.987 179.759 177.584 0.313 0.000 1.164 410 A CA 1.568 53.838 52.037 0.389 0.000 0.644 410 A CB -0.299 18.951 19.000 0.417 0.000 0.805 410 A HN 0.571 nan 8.150 nan 0.000 0.449 411 L N -0.871 120.457 121.223 0.174 0.000 2.554 411 L HA 0.031 4.371 4.340 -0.000 0.000 0.225 411 L C 2.235 179.135 176.870 0.049 0.000 1.104 411 L CA 1.265 56.173 54.840 0.113 0.000 0.866 411 L CB -0.000 42.103 42.059 0.074 0.000 1.047 411 L HN 0.598 nan 8.230 nan 0.000 0.468 412 T N -5.872 108.716 114.554 0.056 0.000 2.959 412 T HA 0.070 4.419 4.350 -0.000 0.000 0.254 412 T C 0.974 175.713 174.700 0.065 0.000 1.003 412 T CA -0.096 62.014 62.100 0.017 0.000 0.950 412 T CB 0.231 69.113 68.868 0.023 0.000 1.090 412 T HN 0.022 nan 8.240 nan 0.000 0.503 413 S N 1.152 116.921 115.700 0.115 0.000 2.558 413 S HA 0.108 4.577 4.470 -0.000 0.000 0.291 413 S C 1.442 176.106 174.600 0.106 0.000 1.306 413 S CA -0.452 57.824 58.200 0.127 0.000 1.056 413 S CB 0.459 63.765 63.200 0.176 0.000 0.836 413 S HN 0.487 nan 8.310 nan 0.000 0.504 414 R N 2.235 122.776 120.500 0.069 0.000 2.189 414 R HA -0.033 4.306 4.340 -0.000 0.000 0.218 414 R C 0.913 177.238 176.300 0.042 0.000 1.074 414 R CA 1.098 57.202 56.100 0.008 0.000 0.991 414 R CB -0.218 30.072 30.300 -0.017 0.000 0.883 414 R HN 0.613 nan 8.270 nan 0.000 0.457 415 D N 0.580 121.059 120.400 0.131 0.000 2.310 415 D HA -0.086 4.554 4.640 -0.000 0.000 0.212 415 D C 1.303 177.721 176.300 0.197 0.000 0.965 415 D CA 0.633 54.727 54.000 0.157 0.000 0.879 415 D CB -0.198 40.714 40.800 0.186 0.000 0.921 415 D HN 0.166 nan 8.370 nan 0.000 0.510 416 N N 0.639 119.498 118.700 0.266 0.000 2.205 416 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 416 N C 1.477 177.037 175.510 0.084 0.000 1.015 416 N CA 0.947 54.127 53.050 0.216 0.000 0.862 416 N CB 0.100 38.712 38.487 0.209 0.000 0.986 416 N HN 0.128 nan 8.380 nan 0.000 0.429 417 A N 0.388 123.226 122.820 0.030 0.000 2.238 417 A HA 0.116 4.436 4.320 -0.000 0.000 0.210 417 A C 1.734 179.376 177.584 0.097 0.000 1.179 417 A CA 0.121 52.179 52.037 0.035 0.000 0.827 417 A CB 0.147 18.989 19.000 -0.263 0.000 0.856 417 A HN 0.171 nan 8.150 nan 0.000 0.488 418 R N 0.346 120.848 120.500 0.003 0.000 2.362 418 R HA 0.081 4.421 4.340 -0.000 0.000 0.227 418 R C 0.269 176.542 176.300 -0.046 0.000 0.905 418 R CA 0.564 56.678 56.100 0.022 0.000 1.067 418 R CB 0.088 30.450 30.300 0.103 0.000 1.078 418 R HN 0.505 nan 8.270 nan 0.000 0.516 419 T N -0.043 114.415 114.554 -0.159 0.000 2.919 419 T HA 0.222 4.572 4.350 -0.000 0.000 0.302 419 T C -2.395 172.142 174.700 -0.271 0.000 1.031 419 T CA -1.898 60.006 62.100 -0.327 0.000 1.127 419 T CB 1.064 69.740 68.868 -0.320 0.000 0.952 419 T HN -0.194 nan 8.240 nan 0.000 0.540 420 P HA -0.014 nan 4.420 nan 0.000 0.261 420 P C -0.339 176.765 177.300 -0.328 0.000 1.158 420 P CA -0.061 62.639 63.100 -0.667 0.000 0.758 420 P CB -0.008 31.113 31.700 -0.965 0.000 0.763 421 F N 3.704 123.443 119.950 -0.352 0.000 2.578 421 F HA -0.012 4.515 4.527 -0.000 0.000 0.376 421 F C 0.743 176.252 175.800 -0.486 0.000 1.085 421 F CA 0.294 58.053 58.000 -0.402 0.000 1.260 421 F CB 0.290 38.973 39.000 -0.528 0.000 1.095 421 F HN 0.303 nan 8.300 nan 0.000 0.573 422 Q N 6.338 125.661 119.800 -0.795 0.000 2.490 422 Q HA 0.050 4.390 4.340 -0.000 0.000 0.226 422 Q C -0.033 175.743 176.000 -0.373 0.000 1.132 422 Q CA -0.080 55.471 55.803 -0.419 0.000 0.928 422 Q CB 0.321 28.894 28.738 -0.276 0.000 1.299 422 Q HN 0.896 nan 8.270 nan 0.000 0.528 423 W N 1.891 123.255 121.300 0.106 0.000 2.409 423 W HA -0.136 4.524 4.660 -0.000 0.000 0.299 423 W C 0.605 177.132 176.519 0.013 0.000 1.203 423 W CA 0.947 58.343 57.345 0.085 0.000 1.298 423 W CB 0.374 29.839 29.460 0.009 0.000 1.127 423 W HN 0.634 nan 8.180 nan 0.000 0.528 424 D N -2.938 117.604 120.400 0.235 0.000 3.145 424 D HA -0.000 4.640 4.640 -0.000 0.000 0.345 424 D C -0.554 175.877 176.300 0.219 0.000 1.391 424 D CA -0.269 53.833 54.000 0.169 0.000 0.930 424 D CB -0.129 40.756 40.800 0.141 0.000 1.451 424 D HN -0.134 nan 8.370 nan 0.000 0.555 425 D N -0.794 119.720 120.400 0.191 0.000 2.525 425 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 425 D C -0.030 176.437 176.300 0.279 0.000 1.202 425 D CA -0.304 53.862 54.000 0.275 0.000 0.828 425 D CB -0.407 40.446 40.800 0.088 0.000 1.008 425 D HN 0.432 nan 8.370 nan 0.000 0.493 426 S N -0.670 115.149 115.700 0.197 0.000 2.671 426 S HA 0.648 5.118 4.470 -0.000 0.000 0.272 426 S C 0.721 175.392 174.600 0.118 0.000 1.174 426 S CA -0.635 57.643 58.200 0.130 0.000 1.004 426 S CB 0.818 64.060 63.200 0.069 0.000 1.077 426 S HN 0.364 nan 8.310 nan 0.000 0.553 427 A N 1.298 124.155 122.820 0.062 0.000 2.584 427 A HA 0.211 4.531 4.320 -0.000 0.000 0.239 427 A C 0.718 178.244 177.584 -0.097 0.000 1.043 427 A CA 0.026 52.068 52.037 0.007 0.000 0.756 427 A CB -1.167 17.841 19.000 0.012 0.000 0.963 427 A HN 0.944 nan 8.150 nan 0.000 0.511 428 N N 0.343 118.891 118.700 -0.254 0.000 2.725 428 N HA -0.249 4.490 4.740 -0.000 0.000 0.251 428 N C 0.644 175.981 175.510 -0.288 0.000 1.031 428 N CA 1.639 54.510 53.050 -0.298 0.000 0.720 428 N CB -1.575 36.887 38.487 -0.042 0.000 0.930 428 N HN 1.952 nan 8.380 nan 0.000 0.543 429 A N -1.413 121.040 122.820 -0.612 0.000 2.715 429 A HA -0.085 4.235 4.320 -0.000 0.000 0.301 429 A C 1.722 179.366 177.584 0.099 0.000 1.515 429 A CA 2.091 53.998 52.037 -0.216 0.000 0.816 429 A CB -1.784 17.095 19.000 -0.202 0.000 1.004 429 A HN 1.991 nan 8.150 nan 0.000 0.483 430 G N -2.991 105.861 108.800 0.086 0.000 2.187 430 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.261 430 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.261 430 G C 0.572 175.601 174.900 0.215 0.000 1.000 430 G CA 1.115 46.292 45.100 0.129 0.000 0.718 430 G HN 1.968 nan 8.290 nan 0.000 0.519 431 F N 0.803 120.838 119.950 0.141 0.000 2.234 431 F HA 0.409 4.936 4.527 -0.000 0.000 0.296 431 F C 1.151 176.995 175.800 0.073 0.000 1.089 431 F CA 1.958 60.078 58.000 0.199 0.000 1.343 431 F CB 0.389 39.484 39.000 0.158 0.000 1.040 431 F HN 0.316 nan 8.300 nan 0.000 0.498 432 T N -1.506 112.931 114.554 -0.194 0.000 2.821 432 T HA 0.317 4.667 4.350 -0.000 0.000 0.306 432 T C 0.477 175.110 174.700 -0.113 0.000 1.313 432 T CA 0.038 61.959 62.100 -0.298 0.000 1.012 432 T CB 1.344 70.014 68.868 -0.331 0.000 1.298 432 T HN 0.109 nan 8.240 nan 0.000 0.502 433 T N -0.479 114.010 114.554 -0.109 0.000 3.069 433 T HA 0.451 4.801 4.350 -0.000 0.000 0.252 433 T C 1.027 175.705 174.700 -0.037 0.000 1.053 433 T CA 0.462 62.525 62.100 -0.061 0.000 0.964 433 T CB 0.158 68.988 68.868 -0.063 0.000 1.005 433 T HN 0.697 nan 8.240 nan 0.000 0.532 434 G N 0.493 109.273 108.800 -0.034 0.000 3.099 434 G HA2 0.531 4.491 3.960 -0.000 0.000 0.151 434 G HA3 0.531 4.491 3.960 -0.000 0.000 0.151 434 G C -1.163 173.753 174.900 0.026 0.000 1.265 434 G CA -0.928 44.170 45.100 -0.004 0.000 0.981 434 G HN 0.293 nan 8.290 nan 0.000 0.601 435 K N 1.979 122.409 120.400 0.050 0.000 2.263 435 K HA 0.348 4.668 4.320 -0.000 0.000 0.272 435 K C -2.323 174.356 176.600 0.131 0.000 1.033 435 K CA -1.835 54.494 56.287 0.069 0.000 0.884 435 K CB 1.683 34.216 32.500 0.055 0.000 1.107 435 K HN 0.183 nan 8.250 nan 0.000 0.460 436 P HA -0.105 nan 4.420 nan 0.000 0.266 436 P C 0.888 178.296 177.300 0.181 0.000 1.195 436 P CA -0.125 63.139 63.100 0.274 0.000 0.768 436 P CB 0.303 32.095 31.700 0.154 0.000 0.838 437 W N 4.255 125.652 121.300 0.163 0.000 2.392 437 W HA 0.005 4.665 4.660 -0.000 0.000 0.279 437 W C -0.811 175.729 176.519 0.034 0.000 1.225 437 W CA 0.330 57.731 57.345 0.093 0.000 1.233 437 W CB -0.752 28.780 29.460 0.120 0.000 1.122 437 W HN 0.142 nan 8.180 nan 0.000 0.561 438 L N 1.727 122.412 121.223 -0.897 0.000 2.436 438 L HA 0.434 4.773 4.340 -0.000 0.000 0.268 438 L C -0.014 176.470 176.870 -0.644 0.000 0.974 438 L CA -1.412 52.856 54.840 -0.953 0.000 0.826 438 L CB 1.741 42.830 42.059 -1.617 0.000 1.291 438 L HN -0.234 nan 8.230 nan 0.000 0.406 439 K N 2.309 122.408 120.400 -0.501 0.000 2.550 439 K HA 0.172 4.491 4.320 -0.000 0.000 0.280 439 K C -0.601 175.772 176.600 -0.379 0.000 0.987 439 K CA 0.028 56.094 56.287 -0.367 0.000 1.048 439 K CB 0.447 32.775 32.500 -0.287 0.000 0.879 439 K HN 0.457 nan 8.250 nan 0.000 0.491 440 V N 3.510 123.311 119.914 -0.189 0.000 2.775 440 V HA -0.024 4.096 4.120 -0.000 0.000 0.299 440 V C 0.656 176.801 176.094 0.084 0.000 1.062 440 V CA -0.672 61.542 62.300 -0.143 0.000 1.063 440 V CB 1.178 32.874 31.823 -0.211 0.000 0.994 440 V HN 0.758 nan 8.190 nan 0.000 0.483 441 N N 4.636 123.406 118.700 0.116 0.000 2.492 441 N HA 0.120 4.859 4.740 -0.000 0.000 0.262 441 N C -1.810 173.803 175.510 0.172 0.000 1.202 441 N CA -1.449 51.704 53.050 0.171 0.000 0.926 441 N CB 1.693 40.222 38.487 0.070 0.000 1.078 441 N HN 0.280 nan 8.380 nan 0.000 0.454 442 P HA -0.079 nan 4.420 nan 0.000 0.222 442 P C 0.343 177.620 177.300 -0.040 0.000 1.147 442 P CA 0.972 64.117 63.100 0.076 0.000 0.790 442 P CB 0.062 31.730 31.700 -0.052 0.000 0.780 443 N N -0.488 118.179 118.700 -0.056 0.000 2.575 443 N HA -0.185 4.555 4.740 -0.000 0.000 0.192 443 N C 1.267 176.717 175.510 -0.100 0.000 1.200 443 N CA 0.307 53.293 53.050 -0.107 0.000 0.897 443 N CB -1.706 36.724 38.487 -0.094 0.000 0.990 443 N HN 0.347 nan 8.380 nan 0.000 0.449 444 Y N -0.210 120.042 120.300 -0.081 0.000 2.421 444 Y HA -0.068 4.482 4.550 -0.000 0.000 0.292 444 Y C 2.101 177.965 175.900 -0.059 0.000 1.136 444 Y CA 1.089 59.141 58.100 -0.081 0.000 1.255 444 Y CB -1.228 37.192 38.460 -0.068 0.000 0.991 444 Y HN 0.143 nan 8.280 nan 0.000 0.552 445 T N -1.594 112.472 114.554 -0.813 0.000 2.881 445 T HA -0.181 4.169 4.350 -0.000 0.000 0.270 445 T C 1.216 175.772 174.700 -0.239 0.000 1.068 445 T CA 1.484 63.244 62.100 -0.566 0.000 1.131 445 T CB -0.273 68.291 68.868 -0.506 0.000 0.871 445 T HN 0.716 nan 8.240 nan 0.000 0.479 446 E N 0.694 120.786 120.200 -0.181 0.000 2.399 446 E HA 0.240 4.590 4.350 -0.000 0.000 0.205 446 E C 0.632 177.190 176.600 -0.070 0.000 0.906 446 E CA -0.062 56.274 56.400 -0.106 0.000 0.998 446 E CB 0.332 29.973 29.700 -0.098 0.000 1.002 446 E HN 0.529 nan 8.360 nan 0.000 0.501 447 I N 3.431 123.958 120.570 -0.071 0.000 2.337 447 I HA 0.247 4.417 4.170 -0.000 0.000 0.285 447 I C -0.872 175.206 176.117 -0.066 0.000 1.041 447 I CA -0.663 60.601 61.300 -0.061 0.000 1.199 447 I CB 0.097 38.054 38.000 -0.072 0.000 1.370 447 I HN 0.019 nan 8.210 nan 0.000 0.470 448 N N 3.798 122.464 118.700 -0.056 0.000 2.598 448 N HA 0.490 5.230 4.740 -0.000 0.000 0.263 448 N C 0.113 175.594 175.510 -0.048 0.000 1.254 448 N CA -0.692 52.317 53.050 -0.067 0.000 0.863 448 N CB 1.447 39.950 38.487 0.027 0.000 1.586 448 N HN 0.266 nan 8.380 nan 0.000 0.491 449 A N 1.098 123.879 122.820 -0.064 0.000 1.883 449 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 449 A C 2.172 179.750 177.584 -0.009 0.000 1.186 449 A CA 2.324 54.351 52.037 -0.016 0.000 0.624 449 A CB -1.509 17.494 19.000 0.005 0.000 0.822 449 A HN 0.957 nan 8.150 nan 0.000 0.444 450 A N -0.664 122.178 122.820 0.036 0.000 1.908 450 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 450 A C 2.289 179.878 177.584 0.008 0.000 1.181 450 A CA 1.779 53.832 52.037 0.026 0.000 0.627 450 A CB -0.511 18.519 19.000 0.050 0.000 0.818 450 A HN 0.516 nan 8.150 nan 0.000 0.445 451 R N -0.296 120.211 120.500 0.012 0.000 2.148 451 R HA -0.092 4.248 4.340 -0.000 0.000 0.223 451 R C 1.566 177.878 176.300 0.019 0.000 1.088 451 R CA 1.536 57.643 56.100 0.012 0.000 0.985 451 R CB -0.100 30.204 30.300 0.006 0.000 0.880 451 R HN 0.734 nan 8.270 nan 0.000 0.451 452 E N -0.154 120.056 120.200 0.017 0.000 2.340 452 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 452 E C 1.857 178.474 176.600 0.029 0.000 0.996 452 E CA -0.081 56.357 56.400 0.063 0.000 0.869 452 E CB 0.248 30.027 29.700 0.131 0.000 0.835 452 E HN 0.188 nan 8.360 nan 0.000 0.493 453 I N 1.357 121.849 120.570 -0.130 0.000 2.151 453 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 453 I C 2.270 178.382 176.117 -0.009 0.000 1.080 453 I CA 1.736 62.884 61.300 -0.253 0.000 1.339 453 I CB -1.286 36.586 38.000 -0.212 0.000 1.039 453 I HN 0.126 nan 8.210 nan 0.000 0.409 454 G N -0.161 108.652 108.800 0.023 0.000 3.141 454 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.218 454 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.218 454 G C 0.120 175.066 174.900 0.077 0.000 1.170 454 G CA -0.021 45.113 45.100 0.057 0.000 0.769 454 G HN 0.303 nan 8.290 nan 0.000 0.546 455 D N 0.579 121.036 120.400 0.095 0.000 2.427 455 D HA 0.261 4.901 4.640 -0.000 0.000 0.226 455 D C -1.183 175.201 176.300 0.140 0.000 1.076 455 D CA -2.549 51.510 54.000 0.099 0.000 0.849 455 D CB 2.162 43.013 40.800 0.086 0.000 1.052 455 D HN -0.021 nan 8.370 nan 0.000 0.515 456 P HA -0.108 nan 4.420 nan 0.000 0.228 456 P C 0.393 177.780 177.300 0.145 0.000 1.151 456 P CA 0.752 63.934 63.100 0.137 0.000 0.770 456 P CB 0.361 32.123 31.700 0.104 0.000 0.786 457 K N -0.027 120.447 120.400 0.124 0.000 2.372 457 K HA 0.116 4.436 4.320 -0.000 0.000 0.200 457 K C 1.109 177.782 176.600 0.122 0.000 1.022 457 K CA -0.073 56.280 56.287 0.110 0.000 1.125 457 K CB 0.308 32.849 32.500 0.068 0.000 0.855 457 K HN 0.180 nan 8.250 nan 0.000 0.524 458 S N -0.576 115.224 115.700 0.166 0.000 2.624 458 S HA 0.078 4.548 4.470 -0.000 0.000 0.263 458 S C 1.551 176.300 174.600 0.249 0.000 1.287 458 S CA -0.835 57.477 58.200 0.187 0.000 0.990 458 S CB 1.359 64.691 63.200 0.220 0.000 0.950 458 S HN -0.113 nan 8.310 nan 0.000 0.561 459 V N 1.294 121.354 119.914 0.243 0.000 2.407 459 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 459 V C 2.036 178.398 176.094 0.445 0.000 1.055 459 V CA 2.200 64.690 62.300 0.317 0.000 1.049 459 V CB -1.601 30.383 31.823 0.268 0.000 0.662 459 V HN 0.939 nan 8.190 nan 0.000 0.455 460 Y N 1.707 122.171 120.300 0.273 0.000 2.097 460 Y HA -0.280 4.269 4.550 -0.000 0.000 0.282 460 Y C 2.703 178.766 175.900 0.271 0.000 1.152 460 Y CA 2.114 60.372 58.100 0.264 0.000 1.136 460 Y CB -0.437 38.153 38.460 0.216 0.000 0.975 460 Y HN 0.206 nan 8.280 nan 0.000 0.498 461 S N 0.228 116.111 115.700 0.304 0.000 2.399 461 S HA -0.168 4.301 4.470 -0.000 0.000 0.231 461 S C 1.716 176.373 174.600 0.095 0.000 1.022 461 S CA 1.198 59.494 58.200 0.160 0.000 0.983 461 S CB -0.789 62.572 63.200 0.269 0.000 0.803 461 S HN 0.560 nan 8.310 nan 0.000 0.480 462 F N 1.188 121.175 119.950 0.062 0.000 2.134 462 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 462 F C 1.919 177.699 175.800 -0.034 0.000 1.097 462 F CA 1.009 59.015 58.000 0.010 0.000 1.264 462 F CB -0.519 38.486 39.000 0.010 0.000 1.001 462 F HN 0.160 nan 8.300 nan 0.000 0.479 463 Y N 0.019 120.270 120.300 -0.082 0.000 2.181 463 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 463 Y C 2.814 178.562 175.900 -0.253 0.000 1.146 463 Y CA 2.074 60.087 58.100 -0.145 0.000 1.164 463 Y CB -0.520 37.905 38.460 -0.057 0.000 0.982 463 Y HN -0.046 nan 8.280 nan 0.000 0.515 464 R N 0.288 120.684 120.500 -0.173 0.000 2.081 464 R HA -0.194 4.145 4.340 -0.000 0.000 0.235 464 R C 1.770 177.968 176.300 -0.169 0.000 1.131 464 R CA 2.003 57.970 56.100 -0.223 0.000 0.960 464 R CB -0.264 29.831 30.300 -0.342 0.000 0.856 464 R HN 0.288 nan 8.270 nan 0.000 0.436 465 N N 0.116 118.695 118.700 -0.202 0.000 2.188 465 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 465 N C 1.609 176.947 175.510 -0.287 0.000 1.018 465 N CA 1.060 53.981 53.050 -0.214 0.000 0.858 465 N CB -0.030 38.320 38.487 -0.229 0.000 0.989 465 N HN 0.191 nan 8.380 nan 0.000 0.426 466 L N 0.099 121.075 121.223 -0.412 0.000 2.027 466 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 466 L C 1.930 178.651 176.870 -0.248 0.000 1.074 466 L CA 0.850 55.458 54.840 -0.387 0.000 0.745 466 L CB -0.342 41.432 42.059 -0.475 0.000 0.898 466 L HN 0.186 nan 8.230 nan 0.000 0.433 467 I N -0.898 119.548 120.570 -0.206 0.000 2.163 467 I HA -0.356 3.813 4.170 -0.000 0.000 0.243 467 I C 2.866 178.832 176.117 -0.252 0.000 1.085 467 I CA 1.504 62.660 61.300 -0.240 0.000 1.347 467 I CB -0.335 37.566 38.000 -0.165 0.000 1.044 467 I HN 0.250 nan 8.210 nan 0.000 0.408 468 S N 1.126 116.756 115.700 -0.115 0.000 2.365 468 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 468 S C 2.056 176.640 174.600 -0.026 0.000 1.039 468 S CA 1.635 59.828 58.200 -0.011 0.000 1.033 468 S CB -0.385 62.800 63.200 -0.024 0.000 0.887 468 S HN 0.341 nan 8.310 nan 0.000 0.447 469 I N 0.957 121.469 120.570 -0.097 0.000 2.226 469 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 469 I C 2.871 178.922 176.117 -0.110 0.000 1.100 469 I CA 1.426 62.665 61.300 -0.102 0.000 1.374 469 I CB -0.403 37.510 38.000 -0.146 0.000 1.057 469 I HN 0.329 nan 8.210 nan 0.000 0.413 470 R N 0.397 120.809 120.500 -0.146 0.000 2.081 470 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 470 R C 2.283 178.561 176.300 -0.037 0.000 1.131 470 R CA 1.686 57.707 56.100 -0.131 0.000 0.960 470 R CB -0.358 29.847 30.300 -0.158 0.000 0.856 470 R HN 0.469 nan 8.270 nan 0.000 0.436 471 H N -0.494 118.553 119.070 -0.038 0.000 2.422 471 H HA -0.101 4.455 4.556 -0.000 0.000 0.298 471 H C 1.214 176.523 175.328 -0.032 0.000 1.098 471 H CA 1.569 57.604 56.048 -0.022 0.000 1.315 471 H CB 0.245 29.996 29.762 -0.017 0.000 1.382 471 H HN 0.432 nan 8.280 nan 0.000 0.523 472 E N -0.005 120.240 120.200 0.075 0.000 2.479 472 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 472 E C -0.197 176.393 176.600 -0.017 0.000 1.049 472 E CA 0.255 56.669 56.400 0.023 0.000 0.870 472 E CB 0.818 30.527 29.700 0.014 0.000 0.944 472 E HN 0.139 nan 8.360 nan 0.000 0.492 473 T N 1.826 116.342 114.554 -0.064 0.000 2.991 473 T HA 0.161 4.511 4.350 -0.000 0.000 0.347 473 T C -2.228 172.402 174.700 -0.116 0.000 1.122 473 T CA -1.575 60.436 62.100 -0.147 0.000 1.062 473 T CB 1.619 70.261 68.868 -0.376 0.000 1.043 473 T HN -0.175 nan 8.240 nan 0.000 0.491 474 P HA -0.189 nan 4.420 nan 0.000 0.216 474 P C 1.681 178.973 177.300 -0.013 0.000 1.157 474 P CA 1.071 64.164 63.100 -0.011 0.000 0.880 474 P CB 0.135 31.842 31.700 0.011 0.000 0.791 475 A N -0.796 122.009 122.820 -0.024 0.000 2.024 475 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 475 A C 2.112 179.683 177.584 -0.021 0.000 1.164 475 A CA 1.420 53.467 52.037 0.016 0.000 0.643 475 A CB -1.616 17.452 19.000 0.114 0.000 0.806 475 A HN 0.164 nan 8.150 nan 0.000 0.451 476 L N 0.030 121.177 121.223 -0.127 0.000 2.376 476 L HA -0.099 4.241 4.340 -0.000 0.000 0.219 476 L C 2.645 179.516 176.870 0.001 0.000 1.133 476 L CA 1.191 55.975 54.840 -0.094 0.000 0.816 476 L CB -0.327 41.620 42.059 -0.187 0.000 0.933 476 L HN 0.664 nan 8.230 nan 0.000 0.449 477 S N -1.646 114.081 115.700 0.044 0.000 2.559 477 S HA -0.065 4.405 4.470 -0.000 0.000 0.212 477 S C 1.716 176.456 174.600 0.232 0.000 0.994 477 S CA 0.591 58.871 58.200 0.133 0.000 0.903 477 S CB -0.462 62.815 63.200 0.127 0.000 0.861 477 S HN 0.330 nan 8.310 nan 0.000 0.601 478 T N -0.018 114.636 114.554 0.167 0.000 3.122 478 T HA 0.443 4.792 4.350 -0.000 0.000 0.250 478 T C 0.891 175.690 174.700 0.165 0.000 1.067 478 T CA 0.087 62.303 62.100 0.194 0.000 0.966 478 T CB -0.330 68.543 68.868 0.007 0.000 1.002 478 T HN 0.526 nan 8.240 nan 0.000 0.542 479 G N 1.785 110.666 108.800 0.135 0.000 2.599 479 G HA2 0.449 4.409 3.960 -0.000 0.000 0.264 479 G HA3 0.449 4.409 3.960 -0.000 0.000 0.264 479 G C 0.199 175.185 174.900 0.142 0.000 1.200 479 G CA -0.303 44.870 45.100 0.121 0.000 0.896 479 G HN 0.556 nan 8.290 nan 0.000 0.536 480 S N -1.118 114.657 115.700 0.125 0.000 2.596 480 S HA 0.366 4.836 4.470 -0.000 0.000 0.260 480 S C -0.603 174.108 174.600 0.184 0.000 1.336 480 S CA -0.205 58.072 58.200 0.129 0.000 0.993 480 S CB 0.834 64.087 63.200 0.089 0.000 0.923 480 S HN 0.893 nan 8.310 nan 0.000 0.567 481 Y N 0.189 120.501 120.300 0.019 0.000 2.421 481 Y HA 0.646 5.196 4.550 -0.000 0.000 0.339 481 Y C -0.554 175.355 175.900 0.015 0.000 0.996 481 Y CA -0.963 57.145 58.100 0.013 0.000 1.046 481 Y CB 1.544 39.964 38.460 -0.067 0.000 1.226 481 Y HN 0.930 nan 8.280 nan 0.000 0.445 482 R N 4.551 124.639 120.500 -0.686 0.000 2.533 482 R HA 0.231 4.571 4.340 -0.000 0.000 0.288 482 R C -1.905 173.971 176.300 -0.707 0.000 1.039 482 R CA -0.716 55.020 56.100 -0.608 0.000 0.909 482 R CB 1.215 31.386 30.300 -0.214 0.000 1.195 482 R HN 0.822 nan 8.270 nan 0.000 0.438 483 D N 5.348 125.396 120.400 -0.587 0.000 2.325 483 D HA 0.059 4.698 4.640 -0.000 0.000 0.251 483 D C 1.500 177.767 176.300 -0.054 0.000 1.196 483 D CA -0.359 53.512 54.000 -0.216 0.000 0.866 483 D CB 0.941 41.727 40.800 -0.024 0.000 1.101 483 D HN 0.470 nan 8.370 nan 0.000 0.476 484 I N 2.241 122.829 120.570 0.029 0.000 2.226 484 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 484 I C 0.778 176.945 176.117 0.082 0.000 1.100 484 I CA 1.370 62.712 61.300 0.071 0.000 1.374 484 I CB -0.537 37.560 38.000 0.161 0.000 1.057 484 I HN 0.457 nan 8.210 nan 0.000 0.413 485 D N -0.493 119.968 120.400 0.100 0.000 2.411 485 D HA 0.223 4.863 4.640 -0.000 0.000 0.239 485 D C -2.050 174.288 176.300 0.063 0.000 1.307 485 D CA -1.721 52.327 54.000 0.081 0.000 0.930 485 D CB 1.415 42.279 40.800 0.107 0.000 1.395 485 D HN -0.169 nan 8.370 nan 0.000 0.536 486 P HA -0.138 nan 4.420 nan 0.000 0.218 486 P C 1.065 178.364 177.300 -0.002 0.000 1.146 486 P CA 1.128 64.238 63.100 0.017 0.000 0.813 486 P CB 0.282 31.988 31.700 0.010 0.000 0.778 487 S N -3.331 112.373 115.700 0.006 0.000 2.548 487 S HA 0.037 4.507 4.470 -0.000 0.000 0.215 487 S C 0.959 175.555 174.600 -0.006 0.000 0.976 487 S CA -0.354 57.844 58.200 -0.003 0.000 0.908 487 S CB -0.839 62.362 63.200 0.001 0.000 0.781 487 S HN 0.018 nan 8.310 nan 0.000 0.519 488 N N 2.125 120.828 118.700 0.004 0.000 2.442 488 N HA 0.300 5.040 4.740 -0.000 0.000 0.265 488 N C 0.454 175.940 175.510 -0.040 0.000 1.138 488 N CA 0.417 53.469 53.050 0.002 0.000 0.956 488 N CB 1.248 39.760 38.487 0.041 0.000 1.067 488 N HN 0.331 nan 8.380 nan 0.000 0.474 489 A N 3.176 125.969 122.820 -0.046 0.000 2.345 489 A HA 0.119 4.439 4.320 -0.000 0.000 0.225 489 A C 0.719 178.247 177.584 -0.093 0.000 1.243 489 A CA 0.098 52.089 52.037 -0.077 0.000 0.875 489 A CB 0.276 19.247 19.000 -0.050 0.000 0.929 489 A HN 0.642 nan 8.150 nan 0.000 0.502 490 D N -1.188 119.170 120.400 -0.069 0.000 2.716 490 D HA 0.204 4.843 4.640 -0.000 0.000 0.273 490 D C 0.017 176.287 176.300 -0.050 0.000 1.024 490 D CA 0.789 54.746 54.000 -0.071 0.000 0.944 490 D CB 0.456 41.227 40.800 -0.048 0.000 1.186 490 D HN 0.082 nan 8.370 nan 0.000 0.485 491 V N 1.602 121.508 119.914 -0.015 0.000 2.531 491 V HA 0.211 4.331 4.120 -0.000 0.000 0.301 491 V C -1.174 174.952 176.094 0.054 0.000 1.034 491 V CA -1.005 61.306 62.300 0.017 0.000 0.865 491 V CB 2.207 34.022 31.823 -0.013 0.000 0.995 491 V HN 0.062 nan 8.190 nan 0.000 0.424 492 Y N 4.407 124.685 120.300 -0.037 0.000 2.367 492 Y HA 0.752 5.302 4.550 -0.000 0.000 0.342 492 Y C 0.081 175.972 175.900 -0.015 0.000 0.979 492 Y CA -1.514 56.590 58.100 0.007 0.000 1.161 492 Y CB 1.041 39.559 38.460 0.097 0.000 1.155 492 Y HN 0.746 nan 8.280 nan 0.000 0.503 493 A N 7.618 130.463 122.820 0.041 0.000 2.398 493 A HA 0.780 5.099 4.320 -0.000 0.000 0.301 493 A C -2.075 175.487 177.584 -0.038 0.000 1.041 493 A CA -0.544 51.315 52.037 -0.296 0.000 0.711 493 A CB 0.963 19.463 19.000 -0.833 0.000 1.240 493 A HN 0.837 nan 8.150 nan 0.000 0.420 494 Y N -1.019 119.126 120.300 -0.257 0.000 2.656 494 Y HA 0.816 5.366 4.550 -0.000 0.000 0.334 494 Y C -0.203 175.615 175.900 -0.136 0.000 1.179 494 Y CA -0.604 57.361 58.100 -0.225 0.000 1.050 494 Y CB 0.813 39.091 38.460 -0.305 0.000 1.308 494 Y HN 0.809 nan 8.280 nan 0.000 0.456 495 T N -0.012 114.563 114.554 0.034 0.000 2.932 495 T HA 0.844 5.193 4.350 -0.000 0.000 0.289 495 T C -0.891 173.892 174.700 0.138 0.000 1.039 495 T CA -1.060 61.068 62.100 0.046 0.000 1.024 495 T CB 1.968 70.849 68.868 0.022 0.000 1.090 495 T HN 0.711 nan 8.240 nan 0.000 0.496 496 R N 1.114 121.716 120.500 0.170 0.000 2.575 496 R HA 0.766 5.106 4.340 -0.000 0.000 0.293 496 R C -1.109 175.308 176.300 0.195 0.000 0.983 496 R CA -0.728 55.489 56.100 0.196 0.000 0.887 496 R CB 2.118 32.530 30.300 0.186 0.000 1.184 496 R HN 0.875 nan 8.270 nan 0.000 0.445 497 S N 1.324 117.116 115.700 0.154 0.000 2.564 497 S HA 0.600 5.069 4.470 -0.000 0.000 0.274 497 S C -1.267 173.404 174.600 0.118 0.000 1.124 497 S CA -0.864 57.422 58.200 0.143 0.000 0.869 497 S CB 3.007 66.260 63.200 0.089 0.000 1.105 497 S HN 0.503 nan 8.310 nan 0.000 0.472 498 Q N 0.999 120.867 119.800 0.114 0.000 2.507 498 Q HA 0.229 4.569 4.340 -0.000 0.000 0.248 498 Q C -1.939 174.105 176.000 0.073 0.000 0.941 498 Q CA -0.328 55.525 55.803 0.083 0.000 1.003 498 Q CB 0.937 29.723 28.738 0.080 0.000 1.517 498 Q HN 0.693 nan 8.270 nan 0.000 0.443 499 D N 3.167 123.597 120.400 0.049 0.000 2.697 499 D HA -0.220 4.420 4.640 -0.000 0.000 0.238 499 D C 0.787 177.111 176.300 0.040 0.000 1.152 499 D CA 2.071 56.094 54.000 0.039 0.000 0.666 499 D CB -1.309 39.513 40.800 0.037 0.000 1.037 499 D HN 1.154 nan 8.370 nan 0.000 0.423 500 G N -0.537 108.284 108.800 0.035 0.000 2.328 500 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.256 500 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.256 500 G C 0.124 175.037 174.900 0.023 0.000 1.014 500 G CA 0.610 45.725 45.100 0.025 0.000 0.620 500 G HN 0.499 nan 8.290 nan 0.000 0.530 501 E N 1.226 121.456 120.200 0.050 0.000 2.283 501 E HA 0.510 4.859 4.350 -0.000 0.000 0.278 501 E C -0.522 176.112 176.600 0.056 0.000 1.027 501 E CA 0.220 56.645 56.400 0.042 0.000 0.843 501 E CB 1.344 31.133 29.700 0.148 0.000 1.062 501 E HN 0.184 nan 8.360 nan 0.000 0.401 502 T N 2.554 117.057 114.554 -0.084 0.000 2.886 502 T HA 0.447 4.797 4.350 -0.000 0.000 0.292 502 T C -1.103 173.453 174.700 -0.241 0.000 1.012 502 T CA -0.580 61.501 62.100 -0.033 0.000 0.982 502 T CB 0.483 69.335 68.868 -0.027 0.000 1.018 502 T HN 0.234 nan 8.240 nan 0.000 0.451 503 Y N 1.412 121.723 120.300 0.019 0.000 2.509 503 Y HA 0.762 5.311 4.550 -0.000 0.000 0.341 503 Y C -0.414 175.481 175.900 -0.008 0.000 1.038 503 Y CA -1.416 56.691 58.100 0.013 0.000 1.089 503 Y CB 1.533 39.990 38.460 -0.006 0.000 1.241 503 Y HN 0.448 nan 8.280 nan 0.000 0.468 504 L N 2.328 123.632 121.223 0.135 0.000 2.356 504 L HA 0.795 5.134 4.340 -0.000 0.000 0.277 504 L C -1.629 175.246 176.870 0.008 0.000 0.996 504 L CA -0.641 54.230 54.840 0.052 0.000 0.822 504 L CB 1.500 43.619 42.059 0.099 0.000 1.256 504 L HN 0.419 nan 8.230 nan 0.000 0.413 505 V N 5.662 125.380 119.914 -0.327 0.000 2.459 505 V HA 0.661 4.780 4.120 -0.000 0.000 0.295 505 V C -0.624 175.209 176.094 -0.435 0.000 1.029 505 V CA -0.584 61.436 62.300 -0.466 0.000 0.874 505 V CB 1.922 33.136 31.823 -1.015 0.000 0.985 505 V HN 0.551 nan 8.190 nan 0.000 0.438 506 V N 5.372 125.188 119.914 -0.164 0.000 2.525 506 V HA 0.575 4.695 4.120 -0.000 0.000 0.299 506 V C -0.664 175.399 176.094 -0.051 0.000 1.034 506 V CA -0.541 61.643 62.300 -0.195 0.000 0.863 506 V CB 2.104 33.840 31.823 -0.144 0.000 0.999 506 V HN 0.585 nan 8.190 nan 0.000 0.423 507 V N 3.693 123.602 119.914 -0.008 0.000 2.482 507 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 507 V C -0.299 175.895 176.094 0.166 0.000 1.026 507 V CA -0.779 61.596 62.300 0.126 0.000 0.856 507 V CB 2.012 34.010 31.823 0.291 0.000 1.001 507 V HN 0.857 nan 8.190 nan 0.000 0.424 508 N N 3.271 121.989 118.700 0.030 0.000 2.411 508 N HA 0.299 5.039 4.740 -0.000 0.000 0.259 508 N C -0.029 175.262 175.510 -0.365 0.000 1.103 508 N CA -0.220 52.776 53.050 -0.089 0.000 0.954 508 N CB 0.599 39.008 38.487 -0.130 0.000 1.085 508 N HN 0.493 nan 8.380 nan 0.000 0.485 509 F N 1.707 121.303 119.950 -0.589 0.000 2.732 509 F HA 0.285 4.811 4.527 -0.000 0.000 0.303 509 F C 0.823 175.821 175.800 -1.336 0.000 1.110 509 F CA 0.122 57.480 58.000 -1.070 0.000 1.355 509 F CB 0.307 38.999 39.000 -0.514 0.000 1.081 509 F HN 0.188 nan 8.300 nan 0.000 0.565 510 K N 0.044 119.931 120.400 -0.856 0.000 2.156 510 K HA 0.556 4.876 4.320 -0.000 0.000 0.254 510 K C 0.284 176.359 176.600 -0.874 0.000 0.950 510 K CA -0.356 55.519 56.287 -0.687 0.000 0.849 510 K CB 1.753 34.048 32.500 -0.342 0.000 1.100 510 K HN -0.114 nan 8.250 nan 0.000 0.434 511 A N 2.832 125.220 122.820 -0.719 0.000 2.543 511 A HA 0.105 4.425 4.320 -0.000 0.000 0.258 511 A C -0.236 177.089 177.584 -0.433 0.000 1.391 511 A CA 0.272 51.810 52.037 -0.832 0.000 1.066 511 A CB -0.298 18.037 19.000 -1.108 0.000 0.972 511 A HN 0.689 nan 8.150 nan 0.000 0.560 512 E N 0.277 120.307 120.200 -0.282 0.000 2.408 512 E HA 0.367 4.717 4.350 -0.000 0.000 0.275 512 E C -2.965 173.588 176.600 -0.079 0.000 0.935 512 E CA -2.442 53.893 56.400 -0.108 0.000 0.775 512 E CB 2.235 31.883 29.700 -0.087 0.000 1.277 512 E HN 0.079 nan 8.360 nan 0.000 0.455 513 P HA 0.118 nan 4.420 nan 0.000 0.268 513 P C -0.791 176.497 177.300 -0.019 0.000 1.205 513 P CA -0.086 63.011 63.100 -0.003 0.000 0.771 513 P CB 0.785 32.497 31.700 0.021 0.000 0.858 514 R N 0.996 121.489 120.500 -0.012 0.000 2.855 514 R HA 0.647 4.987 4.340 -0.000 0.000 0.266 514 R C -0.437 175.881 176.300 0.029 0.000 1.034 514 R CA -0.831 55.268 56.100 -0.003 0.000 0.944 514 R CB 1.964 32.250 30.300 -0.022 0.000 1.219 514 R HN 0.416 nan 8.270 nan 0.000 0.474 515 S N 0.427 116.155 115.700 0.047 0.000 2.568 515 S HA 0.698 5.168 4.470 -0.000 0.000 0.293 515 S C -1.547 173.140 174.600 0.145 0.000 1.089 515 S CA -0.516 57.724 58.200 0.066 0.000 0.945 515 S CB 1.557 64.771 63.200 0.023 0.000 1.077 515 S HN 0.402 nan 8.310 nan 0.000 0.485 516 F N 1.771 121.698 119.950 -0.039 0.000 2.557 516 F HA 0.516 5.043 4.527 -0.000 0.000 0.316 516 F C -0.646 175.114 175.800 -0.066 0.000 1.141 516 F CA -0.290 57.683 58.000 -0.046 0.000 0.922 516 F CB 1.417 40.390 39.000 -0.045 0.000 1.194 516 F HN 0.442 nan 8.300 nan 0.000 0.443 517 T N 6.888 120.901 114.554 -0.903 0.000 2.795 517 T HA 0.539 4.889 4.350 -0.000 0.000 0.282 517 T C 0.156 174.117 174.700 -1.232 0.000 0.980 517 T CA -0.558 61.076 62.100 -0.776 0.000 1.012 517 T CB 0.940 69.561 68.868 -0.411 0.000 0.936 517 T HN 0.447 nan 8.240 nan 0.000 0.457 518 L N 3.565 124.295 121.223 -0.823 0.000 2.472 518 L HA 0.331 4.671 4.340 -0.000 0.000 0.260 518 L C -1.969 174.685 176.870 -0.361 0.000 1.209 518 L CA -2.055 52.447 54.840 -0.563 0.000 0.817 518 L CB -0.460 41.403 42.059 -0.326 0.000 1.106 518 L HN 0.313 nan 8.230 nan 0.000 0.479 519 P HA -0.005 nan 4.420 nan 0.000 0.269 519 P C -0.923 176.285 177.300 -0.153 0.000 1.215 519 P CA -0.205 62.817 63.100 -0.129 0.000 0.780 519 P CB 0.307 31.972 31.700 -0.058 0.000 0.898 520 D N 1.810 122.140 120.400 -0.116 0.000 2.581 520 D HA 0.091 4.731 4.640 -0.000 0.000 0.238 520 D C 1.558 177.805 176.300 -0.088 0.000 1.145 520 D CA 2.013 55.953 54.000 -0.099 0.000 0.866 520 D CB 0.007 40.771 40.800 -0.061 0.000 1.151 520 D HN 0.699 nan 8.370 nan 0.000 0.500 521 G N 2.469 111.214 108.800 -0.092 0.000 2.176 521 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 521 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 521 G C 0.357 175.218 174.900 -0.064 0.000 0.979 521 G CA 0.326 45.411 45.100 -0.024 0.000 0.641 521 G HN 0.532 nan 8.290 nan 0.000 0.530 522 M N 1.318 120.771 119.600 -0.245 0.000 2.300 522 M HA 0.646 5.125 4.480 -0.000 0.000 0.348 522 M C -0.620 175.355 176.300 -0.541 0.000 1.151 522 M CA -0.650 54.509 55.300 -0.234 0.000 1.046 522 M CB 0.908 33.415 32.600 -0.156 0.000 1.647 522 M HN 0.211 nan 8.290 nan 0.000 0.451 523 H N 4.332 123.368 119.070 -0.057 0.000 2.851 523 H HA 0.383 4.938 4.556 -0.000 0.000 0.372 523 H C -0.810 174.483 175.328 -0.059 0.000 1.158 523 H CA -0.760 55.251 56.048 -0.062 0.000 1.159 523 H CB 1.915 31.646 29.762 -0.052 0.000 1.757 523 H HN 0.569 nan 8.280 nan 0.000 0.546 524 I N 1.661 122.251 120.570 0.033 0.000 2.618 524 I HA -0.041 4.128 4.170 -0.000 0.000 0.284 524 I C 1.306 177.449 176.117 0.044 0.000 1.146 524 I CA 0.536 61.841 61.300 0.008 0.000 1.425 524 I CB 0.593 38.574 38.000 -0.033 0.000 1.383 524 I HN 0.762 nan 8.210 nan 0.000 0.562 525 A N 4.948 127.790 122.820 0.036 0.000 1.970 525 A HA 0.507 4.826 4.320 -0.000 0.000 0.204 525 A C 0.872 178.480 177.584 0.040 0.000 1.325 525 A CA 0.940 52.990 52.037 0.022 0.000 0.767 525 A CB 0.087 19.078 19.000 -0.015 0.000 0.949 525 A HN 0.746 nan 8.150 nan 0.000 0.481 526 E N -1.609 118.631 120.200 0.066 0.000 2.430 526 E HA 0.598 4.948 4.350 -0.000 0.000 0.279 526 E C -1.087 175.612 176.600 0.165 0.000 1.003 526 E CA -0.253 56.201 56.400 0.090 0.000 0.801 526 E CB 0.921 30.656 29.700 0.059 0.000 1.313 526 E HN 0.119 nan 8.360 nan 0.000 0.459 527 T N 1.851 116.495 114.554 0.149 0.000 2.770 527 T HA 0.432 4.782 4.350 -0.000 0.000 0.283 527 T C 0.568 175.280 174.700 0.021 0.000 0.988 527 T CA -0.286 61.896 62.100 0.137 0.000 0.957 527 T CB 0.819 69.796 68.868 0.182 0.000 0.930 527 T HN 0.416 nan 8.240 nan 0.000 0.443 528 L N 3.554 124.739 121.223 -0.063 0.000 2.202 528 L HA 0.543 4.883 4.340 -0.000 0.000 0.205 528 L C 0.611 177.436 176.870 -0.074 0.000 1.083 528 L CA 0.954 55.769 54.840 -0.042 0.000 0.790 528 L CB 0.019 42.063 42.059 -0.025 0.000 0.942 528 L HN 0.595 nan 8.230 nan 0.000 0.452 529 I N -1.988 118.497 120.570 -0.141 0.000 2.836 529 I HA 0.231 4.401 4.170 -0.000 0.000 0.298 529 I C -1.709 174.371 176.117 -0.062 0.000 1.600 529 I CA -0.467 60.794 61.300 -0.064 0.000 0.972 529 I CB 2.055 40.006 38.000 -0.081 0.000 1.385 529 I HN -0.018 nan 8.210 nan 0.000 0.520 530 E N 2.518 122.774 120.200 0.094 0.000 2.413 530 E HA 0.558 4.907 4.350 -0.000 0.000 0.277 530 E C -1.716 174.962 176.600 0.130 0.000 0.958 530 E CA -0.839 55.620 56.400 0.100 0.000 0.779 530 E CB 2.393 32.136 29.700 0.072 0.000 1.278 530 E HN 0.557 nan 8.360 nan 0.000 0.456 531 S N -0.502 115.178 115.700 -0.034 0.000 2.536 531 S HA 0.487 4.957 4.470 -0.000 0.000 0.287 531 S C -0.170 174.362 174.600 -0.114 0.000 1.101 531 S CA -0.528 57.498 58.200 -0.290 0.000 0.950 531 S CB 1.629 64.315 63.200 -0.856 0.000 1.056 531 S HN 0.559 nan 8.310 nan 0.000 0.481 532 S N 0.060 115.709 115.700 -0.084 0.000 3.587 532 S HA -0.143 4.327 4.470 -0.000 0.000 0.337 532 S C 0.023 174.649 174.600 0.044 0.000 1.119 532 S CA 1.013 59.217 58.200 0.006 0.000 0.976 532 S CB -1.950 61.285 63.200 0.058 0.000 0.922 532 S HN 1.274 nan 8.310 nan 0.000 0.503 533 S N 0.977 116.701 115.700 0.040 0.000 2.502 533 S HA 0.630 5.099 4.470 -0.000 0.000 0.304 533 S C -0.965 173.669 174.600 0.057 0.000 1.097 533 S CA -1.238 57.000 58.200 0.063 0.000 1.045 533 S CB 1.356 64.607 63.200 0.085 0.000 1.019 533 S HN 0.144 nan 8.310 nan 0.000 0.481 534 P HA 0.324 nan 4.420 nan 0.000 0.230 534 P C -0.158 177.173 177.300 0.051 0.000 1.168 534 P CA 0.185 63.314 63.100 0.049 0.000 0.793 534 P CB 0.229 31.956 31.700 0.044 0.000 0.851 535 A N -0.555 122.301 122.820 0.061 0.000 2.566 535 A HA 0.642 4.961 4.320 -0.000 0.000 0.297 535 A C -0.820 176.814 177.584 0.083 0.000 1.059 535 A CA -0.442 51.633 52.037 0.063 0.000 0.691 535 A CB 1.163 20.193 19.000 0.050 0.000 1.282 535 A HN 0.162 nan 8.150 nan 0.000 0.401 536 A N 2.937 125.811 122.820 0.091 0.000 2.351 536 A HA 0.745 5.064 4.320 -0.000 0.000 0.257 536 A C -1.723 175.926 177.584 0.107 0.000 1.087 536 A CA -1.059 51.055 52.037 0.128 0.000 0.798 536 A CB -0.520 18.554 19.000 0.124 0.000 1.033 536 A HN 0.710 nan 8.150 nan 0.000 0.488 537 P HA 0.327 nan 4.420 nan 0.000 0.271 537 P C -0.330 177.000 177.300 0.051 0.000 1.233 537 P CA 0.019 63.150 63.100 0.052 0.000 0.789 537 P CB 0.580 32.269 31.700 -0.018 0.000 0.951 538 A N 1.053 123.890 122.820 0.028 0.000 2.327 538 A HA 0.541 4.861 4.320 -0.000 0.000 0.283 538 A C 0.533 178.133 177.584 0.026 0.000 1.127 538 A CA -0.334 51.720 52.037 0.027 0.000 0.810 538 A CB -0.206 18.804 19.000 0.017 0.000 1.066 538 A HN 0.679 nan 8.150 nan 0.000 0.492 539 A N 1.025 123.862 122.820 0.027 0.000 2.587 539 A HA 0.440 4.760 4.320 -0.000 0.000 0.235 539 A C 1.641 179.234 177.584 0.015 0.000 1.044 539 A CA 1.011 53.063 52.037 0.024 0.000 0.754 539 A CB -0.768 18.241 19.000 0.016 0.000 0.968 539 A HN 2.767 nan 8.150 nan 0.000 0.509 540 G N 0.779 109.595 108.800 0.028 0.000 2.199 540 G HA2 0.134 4.093 3.960 -0.000 0.000 0.254 540 G HA3 0.134 4.093 3.960 -0.000 0.000 0.254 540 G C 0.721 175.697 174.900 0.127 0.000 0.982 540 G CA 0.597 45.716 45.100 0.033 0.000 0.632 540 G HN 2.355 nan 8.290 nan 0.000 0.529 541 A N 0.071 122.931 122.820 0.067 0.000 2.561 541 A HA 0.618 4.938 4.320 -0.000 0.000 0.234 541 A C 1.439 179.047 177.584 0.039 0.000 1.055 541 A CA 1.406 53.465 52.037 0.037 0.000 0.756 541 A CB 0.440 19.425 19.000 -0.024 0.000 0.986 541 A HN 1.931 nan 8.150 nan 0.000 0.505 542 A N 1.411 124.224 122.820 -0.012 0.000 2.470 542 A HA 0.553 4.873 4.320 -0.000 0.000 0.251 542 A C 0.686 178.148 177.584 -0.204 0.000 1.245 542 A CA 0.781 52.730 52.037 -0.147 0.000 0.932 542 A CB -0.356 18.596 19.000 -0.080 0.000 1.037 542 A HN 2.061 nan 8.150 nan 0.000 0.522 543 S N -1.284 114.320 115.700 -0.160 0.000 2.611 543 S HA 0.773 5.243 4.470 -0.000 0.000 0.268 543 S C -1.407 173.128 174.600 -0.108 0.000 1.156 543 S CA -0.700 57.389 58.200 -0.184 0.000 0.817 543 S CB 0.856 63.966 63.200 -0.150 0.000 1.122 543 S HN 0.275 nan 8.310 nan 0.000 0.466 544 L N 0.784 121.975 121.223 -0.054 0.000 2.422 544 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 544 L C -0.990 175.901 176.870 0.034 0.000 0.984 544 L CA -0.758 54.082 54.840 -0.001 0.000 0.819 544 L CB 2.204 44.285 42.059 0.036 0.000 1.330 544 L HN 0.648 nan 8.230 nan 0.000 0.410 545 E N 3.591 123.810 120.200 0.031 0.000 2.151 545 E HA 0.576 4.926 4.350 -0.000 0.000 0.275 545 E C -1.106 175.526 176.600 0.053 0.000 0.936 545 E CA -0.395 56.027 56.400 0.037 0.000 0.777 545 E CB 2.251 31.967 29.700 0.027 0.000 1.108 545 E HN 0.377 nan 8.360 nan 0.000 0.401 546 L N 2.628 123.882 121.223 0.052 0.000 2.346 546 L HA 0.326 4.666 4.340 -0.000 0.000 0.276 546 L C 0.564 177.458 176.870 0.041 0.000 1.006 546 L CA -1.073 53.799 54.840 0.053 0.000 0.817 546 L CB 1.382 43.468 42.059 0.046 0.000 1.272 546 L HN 0.160 nan 8.230 nan 0.000 0.421 547 Q N 2.055 121.889 119.800 0.057 0.000 2.396 547 Q HA 0.320 4.659 4.340 -0.000 0.000 0.221 547 Q C -2.282 173.752 176.000 0.058 0.000 1.025 547 Q CA -1.952 53.895 55.803 0.073 0.000 0.946 547 Q CB 0.171 28.970 28.738 0.102 0.000 1.224 547 Q HN 0.268 nan 8.270 nan 0.000 0.539 548 P HA -0.073 nan 4.420 nan 0.000 0.264 548 P C -0.696 176.675 177.300 0.118 0.000 1.193 548 P CA 0.365 63.464 63.100 -0.002 0.000 0.763 548 P CB 0.083 31.841 31.700 0.096 0.000 0.810 549 W N -0.048 121.191 121.300 -0.101 0.000 4.233 549 W HA -0.227 4.433 4.660 -0.000 0.000 0.328 549 W C 0.590 177.065 176.519 -0.074 0.000 1.212 549 W CA 0.367 57.644 57.345 -0.113 0.000 0.752 549 W CB -1.814 27.591 29.460 -0.092 0.000 2.277 549 W HN 0.432 nan 8.180 nan 0.000 1.465 550 Q N 1.462 121.325 119.800 0.104 0.000 2.340 550 Q HA 0.377 4.717 4.340 -0.000 0.000 0.249 550 Q C 0.615 176.656 176.000 0.069 0.000 0.957 550 Q CA 0.746 56.598 55.803 0.082 0.000 0.882 550 Q CB 1.045 29.828 28.738 0.075 0.000 1.235 550 Q HN 0.142 nan 8.270 nan 0.000 0.439 551 S N 1.590 117.324 115.700 0.057 0.000 2.570 551 S HA 0.945 5.415 4.470 -0.000 0.000 0.286 551 S C -0.649 173.991 174.600 0.068 0.000 1.099 551 S CA -0.256 57.985 58.200 0.067 0.000 0.913 551 S CB 2.061 65.303 63.200 0.071 0.000 1.085 551 S HN 0.836 nan 8.310 nan 0.000 0.480 552 G N 0.647 109.462 108.800 0.025 0.000 2.732 552 G HA2 0.607 4.567 3.960 -0.000 0.000 0.296 552 G HA3 0.607 4.567 3.960 -0.000 0.000 0.296 552 G C -1.730 172.897 174.900 -0.454 0.000 1.448 552 G CA -0.804 44.167 45.100 -0.216 0.000 0.911 552 G HN 0.825 nan 8.290 nan 0.000 0.528 553 I N 1.007 121.162 120.570 -0.691 0.000 2.406 553 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 553 I C -1.083 174.650 176.117 -0.640 0.000 0.999 553 I CA -0.819 60.210 61.300 -0.453 0.000 1.124 553 I CB 1.805 39.668 38.000 -0.227 0.000 1.289 553 I HN 0.424 nan 8.210 nan 0.000 0.441 554 Y N 3.751 124.084 120.300 0.055 0.000 2.576 554 Y HA 0.494 5.044 4.550 -0.000 0.000 0.346 554 Y C -0.232 175.681 175.900 0.021 0.000 1.018 554 Y CA -1.151 56.979 58.100 0.050 0.000 1.050 554 Y CB 1.637 40.105 38.460 0.014 0.000 1.280 554 Y HN 0.365 nan 8.280 nan 0.000 0.474 555 K N 2.314 122.761 120.400 0.078 0.000 2.213 555 K HA 0.669 4.988 4.320 -0.000 0.000 0.270 555 K C -0.902 175.625 176.600 -0.122 0.000 1.002 555 K CA -0.628 55.496 56.287 -0.271 0.000 0.868 555 K CB 0.921 33.244 32.500 -0.295 0.000 1.093 555 K HN 0.631 nan 8.250 nan 0.000 0.454 556 V N 0.817 120.632 119.914 -0.165 0.000 3.193 556 V HA 0.660 4.780 4.120 -0.000 0.000 0.320 556 V C -0.782 175.269 176.094 -0.072 0.000 1.112 556 V CA -0.662 61.596 62.300 -0.071 0.000 1.026 556 V CB 1.450 33.245 31.823 -0.047 0.000 1.128 556 V HN 0.952 nan 8.190 nan 0.000 0.452 557 K N 0.000 120.392 120.400 -0.013 0.000 2.780 557 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 557 K CA 0.000 56.288 56.287 0.001 0.000 0.838 557 K CB 0.000 32.506 32.500 0.009 0.000 1.064 557 K HN 0.000 nan 8.250 nan 0.000 0.543