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 1w6k_1_A DATA FIRST_RESID 6 DATA SEQUENCE CLRRRGGPYK TEPATDLGRW RLNCERGRQT WTYLQDXXAG REQTGLEAYA DATA SEQUENCE LGLDTKNYFK DLPKAHTAFE GALNGMTFYV GLQAEDGHWT GDYGGPLFLL DATA SEQUENCE PGLLITCHVA RIPLPAGYRE EIVRYLRSVQ LPDGGWGLHI EDKSTVFGTA DATA SEQUENCE LNYVSLRILG VGPDDPDLVR ARNILHKKGG AVAIPSWGKF WLAVLNVYSW DATA SEQUENCE EGLNTLFPEM WLFPDWAPAH PSTLWCHCRQ VYLPMSYCYA VRLSAAEDPL DATA SEQUENCE VQSLRQELYV EDFASIDWLA QRNNVAPDEL YTPHSWLLRV VYALLNLYEH DATA SEQUENCE HHSAHLRQRA VQKLYEHIVA DDRFTKSISI GPISKTINML VRWYVDGPAS DATA SEQUENCE TAFQEHVSRI PDYLWMGLDG MKMQGTNGSQ IWDTAFAIQA LLEAGGHHRP DATA SEQUENCE EFSSCLQKAH EFLRLSQVPD NPPDYQKYYR QMRKGGFSFS TLDCGWIVSD DATA SEQUENCE CTAEALKAVL LLQEKCPHVT EHIPRERLCD AVAVLLNMRN PDGGFATYET DATA SEQUENCE KRGGHLLELL NPSEVFGDIM IDYTYVECTS AVMQALKYFH KRFPEHRAAE DATA SEQUENCE IRETLTQGLE FCRRQQRADG SWEGSWGVCF TYGTWFGLEA FACMGQTYRD DATA SEQUENCE GTACAEVSRA CDFLLSRQMA DGGWGEDFES CEERRYVQSA QSQIHNTCWA DATA SEQUENCE MMGLMAVRHP DIEAQERGVR CLLEKQLPNG DWPQENIAGV FNKSCAISYT DATA SEQUENCE SYRNIFPIWA LGRFSQLYPE RALAGHP 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 6 C HA 0.000 nan 4.460 nan 0.000 0.325 6 C C 0.000 174.973 174.990 -0.029 0.000 1.270 6 C CA 0.000 59.005 59.018 -0.022 0.000 1.963 6 C CB 0.000 27.725 27.740 -0.026 0.000 2.134 7 L N 1.893 123.105 121.223 -0.017 0.000 2.376 7 L HA 0.356 4.695 4.340 -0.000 0.000 0.219 7 L C 1.296 178.151 176.870 -0.026 0.000 1.133 7 L CA 1.551 56.377 54.840 -0.023 0.000 0.816 7 L CB -1.042 41.012 42.059 -0.008 0.000 0.933 7 L HN 0.428 nan 8.230 nan 0.000 0.449 8 R N -0.933 119.561 120.500 -0.010 0.000 2.807 8 R HA 0.465 4.805 4.340 -0.000 0.000 0.276 8 R C -0.253 176.052 176.300 0.009 0.000 0.979 8 R CA -0.722 55.378 56.100 0.000 0.000 0.928 8 R CB 2.303 32.624 30.300 0.035 0.000 1.191 8 R HN -0.125 nan 8.270 nan 0.000 0.471 9 R N 2.884 123.397 120.500 0.022 0.000 2.358 9 R HA 0.325 4.665 4.340 -0.000 0.000 0.309 9 R C -0.742 175.635 176.300 0.128 0.000 1.026 9 R CA -0.470 55.669 56.100 0.065 0.000 0.909 9 R CB 0.702 31.033 30.300 0.052 0.000 1.153 9 R HN 0.554 nan 8.270 nan 0.000 0.515 10 R N 1.089 121.678 120.500 0.149 0.000 2.553 10 R HA 0.400 4.740 4.340 -0.000 0.000 0.263 10 R C 0.601 177.033 176.300 0.220 0.000 1.066 10 R CA 0.242 56.435 56.100 0.156 0.000 1.135 10 R CB 1.153 31.538 30.300 0.141 0.000 1.148 10 R HN 0.864 nan 8.270 nan 0.000 0.558 11 G N -0.201 108.666 108.800 0.112 0.000 2.176 11 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.232 11 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.232 11 G C 0.439 175.046 174.900 -0.489 0.000 0.986 11 G CA -0.210 44.892 45.100 0.003 0.000 0.643 11 G HN 0.879 nan 8.290 nan 0.000 0.522 12 G N 0.043 108.612 108.800 -0.385 0.000 2.616 12 G HA2 0.584 4.544 3.960 -0.000 0.000 0.268 12 G HA3 0.584 4.544 3.960 -0.000 0.000 0.268 12 G C -2.277 172.459 174.900 -0.274 0.000 1.213 12 G CA -0.813 43.964 45.100 -0.538 0.000 0.926 12 G HN 0.193 nan 8.290 nan 0.000 0.523 13 P HA 0.254 nan 4.420 nan 0.000 0.275 13 P C -1.127 176.015 177.300 -0.264 0.000 1.228 13 P CA 0.047 63.068 63.100 -0.133 0.000 0.786 13 P CB 0.539 32.235 31.700 -0.006 0.000 0.927 14 Y N 0.468 120.792 120.300 0.040 0.000 2.487 14 Y HA 0.356 4.906 4.550 -0.000 0.000 0.337 14 Y C 1.023 176.932 175.900 0.016 0.000 1.076 14 Y CA -0.654 57.460 58.100 0.024 0.000 1.115 14 Y CB 1.391 39.858 38.460 0.013 0.000 1.235 14 Y HN 0.096 nan 8.280 nan 0.000 0.468 15 K N 1.952 122.463 120.400 0.185 0.000 2.379 15 K HA 0.281 4.601 4.320 -0.000 0.000 0.284 15 K C -0.084 176.567 176.600 0.085 0.000 1.044 15 K CA -0.089 56.257 56.287 0.097 0.000 0.974 15 K CB 0.369 32.915 32.500 0.076 0.000 0.962 15 K HN 0.796 nan 8.250 nan 0.000 0.474 16 T N -1.058 113.528 114.554 0.053 0.000 2.858 16 T HA 0.243 4.593 4.350 -0.000 0.000 0.285 16 T C -0.388 174.323 174.700 0.019 0.000 1.052 16 T CA -1.073 61.047 62.100 0.033 0.000 1.009 16 T CB 1.280 70.165 68.868 0.028 0.000 1.241 16 T HN 0.503 nan 8.240 nan 0.000 0.542 17 E N 2.303 122.511 120.200 0.012 0.000 2.324 17 E HA 0.283 4.633 4.350 -0.000 0.000 0.271 17 E C -2.045 174.561 176.600 0.010 0.000 1.028 17 E CA -1.815 54.593 56.400 0.013 0.000 0.890 17 E CB 0.492 30.198 29.700 0.010 0.000 1.004 17 E HN 0.387 nan 8.360 nan 0.000 0.431 18 P HA 0.111 nan 4.420 nan 0.000 0.276 18 P C -0.835 176.478 177.300 0.021 0.000 1.252 18 P CA -0.201 62.906 63.100 0.010 0.000 0.802 18 P CB 1.477 33.195 31.700 0.030 0.000 1.035 19 A N 0.234 123.063 122.820 0.015 0.000 2.390 19 A HA 0.338 4.658 4.320 -0.000 0.000 0.232 19 A C 0.729 178.328 177.584 0.025 0.000 1.233 19 A CA 0.554 52.601 52.037 0.016 0.000 0.907 19 A CB -0.461 18.541 19.000 0.003 0.000 0.967 19 A HN 0.677 nan 8.150 nan 0.000 0.512 20 T N -3.616 110.973 114.554 0.058 0.000 2.778 20 T HA 0.454 4.803 4.350 -0.000 0.000 0.293 20 T C -1.529 173.284 174.700 0.188 0.000 1.144 20 T CA -0.613 61.530 62.100 0.071 0.000 1.010 20 T CB 1.382 70.202 68.868 -0.081 0.000 1.325 20 T HN -0.080 nan 8.240 nan 0.000 0.515 21 D N 0.719 121.295 120.400 0.293 0.000 2.365 21 D HA 0.235 4.875 4.640 -0.000 0.000 0.237 21 D C 1.284 177.808 176.300 0.373 0.000 1.190 21 D CA -0.601 53.560 54.000 0.267 0.000 0.867 21 D CB 0.276 41.202 40.800 0.210 0.000 1.050 21 D HN 0.548 nan 8.370 nan 0.000 0.491 22 L N 3.121 124.535 121.223 0.318 0.000 2.187 22 L HA -0.069 4.271 4.340 -0.000 0.000 0.213 22 L C 2.377 179.452 176.870 0.341 0.000 1.100 22 L CA 1.088 56.156 54.840 0.381 0.000 0.765 22 L CB -0.264 41.908 42.059 0.189 0.000 0.904 22 L HN 0.487 nan 8.230 nan 0.000 0.437 23 G N -0.120 108.816 108.800 0.226 0.000 2.498 23 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 23 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 23 G C 1.727 176.703 174.900 0.126 0.000 1.119 23 G CA 0.255 45.452 45.100 0.160 0.000 0.766 23 G HN 0.360 nan 8.290 nan 0.000 0.552 24 R N -1.518 119.048 120.500 0.110 0.000 2.312 24 R HA 0.124 4.464 4.340 -0.000 0.000 0.205 24 R C -0.089 176.188 176.300 -0.040 0.000 0.904 24 R CA -0.544 55.496 56.100 -0.099 0.000 1.052 24 R CB 0.275 30.281 30.300 -0.490 0.000 1.014 24 R HN 0.338 nan 8.270 nan 0.000 0.503 25 W N 1.764 123.196 121.300 0.220 0.000 2.261 25 W HA 0.213 4.873 4.660 -0.000 0.000 0.323 25 W C 0.548 177.228 176.519 0.269 0.000 1.243 25 W CA -0.282 57.252 57.345 0.315 0.000 1.210 25 W CB 0.679 30.310 29.460 0.286 0.000 1.149 25 W HN -0.317 nan 8.180 nan 0.000 0.562 26 R N 2.804 123.616 120.500 0.519 0.000 2.686 26 R HA 0.503 4.843 4.340 -0.000 0.000 0.286 26 R C -1.538 174.751 176.300 -0.018 0.000 0.969 26 R CA -1.490 54.730 56.100 0.201 0.000 0.898 26 R CB 1.693 32.041 30.300 0.081 0.000 1.183 26 R HN 0.432 nan 8.270 nan 0.000 0.456 27 L N 2.860 123.808 121.223 -0.460 0.000 2.296 27 L HA 0.456 4.796 4.340 -0.000 0.000 0.286 27 L C -0.821 175.801 176.870 -0.414 0.000 1.023 27 L CA -0.271 54.017 54.840 -0.919 0.000 0.812 27 L CB 1.070 42.340 42.059 -1.314 0.000 1.223 27 L HN 0.426 nan 8.230 nan 0.000 0.421 28 N N 4.434 122.954 118.700 -0.299 0.000 2.400 28 N HA 0.470 5.210 4.740 -0.000 0.000 0.288 28 N C -1.362 174.081 175.510 -0.112 0.000 1.024 28 N CA -0.332 52.630 53.050 -0.147 0.000 0.894 28 N CB 1.685 40.132 38.487 -0.067 0.000 1.173 28 N HN 0.537 nan 8.380 nan 0.000 0.487 29 C N 0.762 120.022 119.300 -0.067 0.000 2.396 29 C HA 0.492 4.951 4.460 -0.000 0.000 0.321 29 C C 0.165 175.162 174.990 0.012 0.000 1.233 29 C CA -0.707 58.310 59.018 -0.000 0.000 1.440 29 C CB 0.825 28.590 27.740 0.042 0.000 2.110 29 C HN 0.793 nan 8.230 nan 0.000 0.473 30 E N 2.218 122.433 120.200 0.025 0.000 2.294 30 E HA 0.416 4.765 4.350 -0.000 0.000 0.272 30 E C -0.149 176.479 176.600 0.047 0.000 0.896 30 E CA -0.508 55.911 56.400 0.031 0.000 0.802 30 E CB 0.576 30.284 29.700 0.014 0.000 1.267 30 E HN 0.651 nan 8.360 nan 0.000 0.406 31 R N 3.047 123.599 120.500 0.088 0.000 3.516 31 R HA -0.284 4.056 4.340 -0.000 0.000 0.271 31 R C 0.770 177.172 176.300 0.170 0.000 1.098 31 R CA 0.906 57.078 56.100 0.121 0.000 0.732 31 R CB -2.062 28.257 30.300 0.032 0.000 1.152 31 R HN 1.116 nan 8.270 nan 0.000 0.455 32 G N -0.045 108.827 108.800 0.121 0.000 2.317 32 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.227 32 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.227 32 G C 0.223 174.998 174.900 -0.208 0.000 1.042 32 G CA 0.238 45.212 45.100 -0.211 0.000 0.623 32 G HN 0.457 nan 8.290 nan 0.000 0.509 33 R N 1.592 122.065 120.500 -0.045 0.000 2.538 33 R HA 0.352 4.692 4.340 -0.000 0.000 0.282 33 R C -0.355 175.955 176.300 0.016 0.000 1.009 33 R CA 0.555 56.646 56.100 -0.015 0.000 1.063 33 R CB 0.048 30.350 30.300 0.004 0.000 0.945 33 R HN 0.496 nan 8.270 nan 0.000 0.414 34 Q N 2.588 122.420 119.800 0.053 0.000 2.333 34 Q HA 0.303 4.643 4.340 -0.000 0.000 0.268 34 Q C -0.981 175.074 176.000 0.091 0.000 1.007 34 Q CA -0.634 55.225 55.803 0.094 0.000 0.810 34 Q CB 2.471 31.373 28.738 0.274 0.000 1.264 34 Q HN 0.758 nan 8.270 nan 0.000 0.452 35 T N -1.630 112.918 114.554 -0.010 0.000 2.916 35 T HA 0.634 4.983 4.350 -0.000 0.000 0.305 35 T C -1.362 173.327 174.700 -0.018 0.000 1.119 35 T CA -0.759 61.394 62.100 0.088 0.000 1.008 35 T CB 0.921 69.873 68.868 0.141 0.000 1.129 35 T HN 0.464 nan 8.240 nan 0.000 0.480 36 W N 0.942 122.330 121.300 0.148 0.000 2.551 36 W HA 0.647 5.307 4.660 -0.000 0.000 0.330 36 W C -0.119 176.666 176.519 0.444 0.000 1.063 36 W CA -0.341 57.115 57.345 0.186 0.000 1.222 36 W CB 2.454 31.879 29.460 -0.058 0.000 1.349 36 W HN 0.746 nan 8.180 nan 0.000 0.536 37 T N 2.345 117.308 114.554 0.682 0.000 2.886 37 T HA 0.230 4.579 4.350 -0.000 0.000 0.292 37 T C -1.801 173.045 174.700 0.244 0.000 1.012 37 T CA -0.625 61.742 62.100 0.445 0.000 0.982 37 T CB 0.987 69.973 68.868 0.196 0.000 1.018 37 T HN 0.268 nan 8.240 nan 0.000 0.451 38 Y N 3.496 123.599 120.300 -0.329 0.000 2.434 38 Y HA 0.487 5.037 4.550 -0.000 0.000 0.341 38 Y C -0.549 175.126 175.900 -0.375 0.000 0.965 38 Y CA -1.274 56.328 58.100 -0.830 0.000 1.205 38 Y CB 0.393 38.124 38.460 -1.215 0.000 1.121 38 Y HN 0.401 nan 8.280 nan 0.000 0.507 39 L N 6.029 126.908 121.223 -0.574 0.000 2.462 39 L HA 0.008 4.348 4.340 -0.000 0.000 0.272 39 L C 0.959 177.501 176.870 -0.547 0.000 1.166 39 L CA 0.738 55.331 54.840 -0.413 0.000 0.880 39 L CB 1.036 42.931 42.059 -0.273 0.000 1.142 39 L HN 0.735 nan 8.230 nan 0.000 0.473 40 Q N 0.965 120.570 119.800 -0.326 0.000 2.391 40 Q HA 0.078 4.418 4.340 -0.000 0.000 0.211 40 Q C 0.043 175.933 176.000 -0.183 0.000 0.908 40 Q CA 0.165 55.809 55.803 -0.265 0.000 0.920 40 Q CB 0.746 29.396 28.738 -0.146 0.000 1.056 40 Q HN 0.663 nan 8.270 nan 0.000 0.523 45 G N -0.226 108.552 108.800 -0.037 0.000 2.557 45 G HA2 0.520 4.480 3.960 -0.000 0.000 0.302 45 G HA3 0.520 4.480 3.960 -0.000 0.000 0.302 45 G C -0.081 174.806 174.900 -0.021 0.000 1.311 45 G CA -0.744 44.336 45.100 -0.032 0.000 1.030 45 G HN 0.389 nan 8.290 nan 0.000 0.509 46 R N -0.149 120.341 120.500 -0.017 0.000 2.756 46 R HA 0.061 4.401 4.340 -0.000 0.000 0.264 46 R C 0.572 176.872 176.300 0.000 0.000 1.026 46 R CA 0.126 56.220 56.100 -0.010 0.000 1.121 46 R CB 0.449 30.741 30.300 -0.013 0.000 0.999 46 R HN 0.718 nan 8.270 nan 0.000 0.449 47 E N 1.815 122.022 120.200 0.011 0.000 2.383 47 E HA -0.072 4.278 4.350 -0.000 0.000 0.264 47 E C -0.667 175.960 176.600 0.045 0.000 1.050 47 E CA -0.274 56.144 56.400 0.031 0.000 0.896 47 E CB 0.876 30.599 29.700 0.039 0.000 0.982 47 E HN 0.387 nan 8.360 nan 0.000 0.424 48 Q N 1.854 121.697 119.800 0.072 0.000 2.364 48 Q HA 0.062 4.401 4.340 -0.000 0.000 0.267 48 Q C -0.472 175.558 176.000 0.049 0.000 0.999 48 Q CA -0.029 55.816 55.803 0.070 0.000 0.886 48 Q CB 0.756 29.560 28.738 0.110 0.000 1.243 48 Q HN 0.675 nan 8.270 nan 0.000 0.415 49 T N -0.088 114.429 114.554 -0.062 0.000 2.912 49 T HA 0.436 4.786 4.350 -0.000 0.000 0.280 49 T C 1.129 175.472 174.700 -0.595 0.000 0.989 49 T CA -0.377 61.608 62.100 -0.191 0.000 0.995 49 T CB 1.335 70.131 68.868 -0.120 0.000 1.077 49 T HN 0.669 nan 8.240 nan 0.000 0.531 50 G N -0.122 108.134 108.800 -0.907 0.000 2.422 50 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.218 50 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.218 50 G C 1.270 176.075 174.900 -0.159 0.000 1.140 50 G CA 0.738 45.113 45.100 -1.209 0.000 0.775 50 G HN 0.649 nan 8.290 nan 0.000 0.545 51 L N 0.647 121.867 121.223 -0.005 0.000 2.056 51 L HA 0.078 4.418 4.340 -0.000 0.000 0.207 51 L C 2.472 179.451 176.870 0.182 0.000 1.078 51 L CA 2.035 56.937 54.840 0.105 0.000 0.749 51 L CB -0.811 41.232 42.059 -0.028 0.000 0.901 51 L HN 0.345 nan 8.230 nan 0.000 0.433 52 E N -0.193 120.040 120.200 0.055 0.000 2.051 52 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 52 E C 2.220 178.932 176.600 0.187 0.000 0.991 52 E CA 1.207 57.695 56.400 0.147 0.000 0.799 52 E CB -0.369 29.383 29.700 0.086 0.000 0.748 52 E HN 0.650 nan 8.360 nan 0.000 0.449 53 A N 0.943 123.791 122.820 0.046 0.000 1.883 53 A HA -0.255 4.064 4.320 -0.000 0.000 0.217 53 A C 2.101 179.810 177.584 0.209 0.000 1.186 53 A CA 1.774 53.863 52.037 0.086 0.000 0.624 53 A CB -0.952 18.025 19.000 -0.039 0.000 0.822 53 A HN 0.484 nan 8.150 nan 0.000 0.444 54 Y N 0.520 120.924 120.300 0.173 0.000 2.145 54 Y HA -0.087 4.462 4.550 -0.000 0.000 0.286 54 Y C 2.569 178.623 175.900 0.256 0.000 1.145 54 Y CA 1.578 59.848 58.100 0.284 0.000 1.148 54 Y CB -0.534 38.149 38.460 0.371 0.000 0.981 54 Y HN 0.290 nan 8.280 nan 0.000 0.507 55 A N 0.334 123.367 122.820 0.356 0.000 1.972 55 A HA -0.106 4.213 4.320 -0.000 0.000 0.219 55 A C 2.118 179.734 177.584 0.053 0.000 1.169 55 A CA 1.781 54.001 52.037 0.304 0.000 0.635 55 A CB -1.016 18.350 19.000 0.611 0.000 0.810 55 A HN 0.582 nan 8.150 nan 0.000 0.446 56 L N -1.844 119.393 121.223 0.022 0.000 2.446 56 L HA 0.216 4.556 4.340 -0.000 0.000 0.219 56 L C 1.725 178.564 176.870 -0.052 0.000 1.116 56 L CA 0.641 55.419 54.840 -0.104 0.000 0.844 56 L CB -0.105 41.924 42.059 -0.049 0.000 0.970 56 L HN 0.558 nan 8.230 nan 0.000 0.457 57 G N 0.124 108.919 108.800 -0.007 0.000 2.141 57 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.231 57 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.231 57 G C 0.164 175.102 174.900 0.064 0.000 0.984 57 G CA -0.363 44.744 45.100 0.011 0.000 0.660 57 G HN 0.150 nan 8.290 nan 0.000 0.525 58 L N 0.588 121.869 121.223 0.095 0.000 2.453 58 L HA 0.432 4.772 4.340 -0.000 0.000 0.261 58 L C 0.858 177.824 176.870 0.160 0.000 1.179 58 L CA -0.665 54.249 54.840 0.123 0.000 0.813 58 L CB 0.486 42.630 42.059 0.142 0.000 1.110 58 L HN 0.204 nan 8.230 nan 0.000 0.466 59 D N 0.088 120.580 120.400 0.153 0.000 2.458 59 D HA -0.009 4.631 4.640 -0.000 0.000 0.243 59 D C 0.707 177.148 176.300 0.235 0.000 1.146 59 D CA 0.104 54.204 54.000 0.167 0.000 0.877 59 D CB 0.972 41.843 40.800 0.119 0.000 1.176 59 D HN 0.598 nan 8.370 nan 0.000 0.461 60 T N 0.367 115.089 114.554 0.281 0.000 3.134 60 T HA 0.130 4.479 4.350 -0.000 0.000 0.260 60 T C 1.444 176.290 174.700 0.244 0.000 1.027 60 T CA -0.477 61.839 62.100 0.360 0.000 0.913 60 T CB 0.080 69.245 68.868 0.495 0.000 1.046 60 T HN 0.277 nan 8.240 nan 0.000 0.553 61 K N 1.850 122.348 120.400 0.163 0.000 2.160 61 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 61 K C 1.286 177.885 176.600 -0.001 0.000 1.047 61 K CA 1.180 57.525 56.287 0.096 0.000 0.930 61 K CB -0.149 32.391 32.500 0.067 0.000 0.720 61 K HN 0.340 nan 8.250 nan 0.000 0.450 62 N N -0.430 118.191 118.700 -0.132 0.000 2.467 62 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 62 N C 1.091 176.314 175.510 -0.478 0.000 1.106 62 N CA 0.808 53.664 53.050 -0.323 0.000 0.892 62 N CB 0.099 38.294 38.487 -0.485 0.000 0.969 62 N HN 0.310 nan 8.380 nan 0.000 0.454 63 Y N -1.024 119.109 120.300 -0.278 0.000 2.539 63 Y HA 0.271 4.820 4.550 -0.000 0.000 0.284 63 Y C 0.001 175.664 175.900 -0.395 0.000 1.134 63 Y CA 0.003 57.777 58.100 -0.543 0.000 1.251 63 Y CB 0.261 38.005 38.460 -1.193 0.000 1.260 63 Y HN -0.182 nan 8.280 nan 0.000 0.528 64 F N 2.562 122.683 119.950 0.285 0.000 2.434 64 F HA 0.347 4.874 4.527 -0.000 0.000 0.367 64 F C 0.124 176.040 175.800 0.193 0.000 1.093 64 F CA -2.149 55.999 58.000 0.247 0.000 1.085 64 F CB 0.451 39.669 39.000 0.365 0.000 1.322 64 F HN -0.140 nan 8.300 nan 0.000 0.452 65 K N 0.620 121.194 120.400 0.289 0.000 2.180 65 K HA 0.289 4.609 4.320 -0.000 0.000 0.251 65 K C -0.675 176.021 176.600 0.160 0.000 1.014 65 K CA -0.683 55.709 56.287 0.174 0.000 0.913 65 K CB 0.720 33.292 32.500 0.120 0.000 1.008 65 K HN 0.223 nan 8.250 nan 0.000 0.490 66 D N 1.227 121.689 120.400 0.102 0.000 2.414 66 D HA 0.175 4.815 4.640 -0.000 0.000 0.242 66 D C -0.083 176.252 176.300 0.057 0.000 1.129 66 D CA 0.046 54.085 54.000 0.065 0.000 0.885 66 D CB 0.529 41.353 40.800 0.040 0.000 1.198 66 D HN 0.366 nan 8.370 nan 0.000 0.437 67 L N 2.254 123.496 121.223 0.032 0.000 2.313 67 L HA 0.461 4.801 4.340 -0.000 0.000 0.268 67 L C -2.124 174.749 176.870 0.005 0.000 1.010 67 L CA -2.094 52.763 54.840 0.028 0.000 0.814 67 L CB 1.124 43.197 42.059 0.023 0.000 1.304 67 L HN 0.122 nan 8.230 nan 0.000 0.441 68 P HA 0.036 nan 4.420 nan 0.000 0.267 68 P C -0.793 176.492 177.300 -0.026 0.000 1.205 68 P CA -0.240 62.870 63.100 0.016 0.000 0.765 68 P CB 0.395 32.121 31.700 0.044 0.000 0.828 69 K N 2.639 123.012 120.400 -0.045 0.000 2.511 69 K HA 0.228 4.548 4.320 -0.000 0.000 0.280 69 K C -0.127 176.305 176.600 -0.280 0.000 1.008 69 K CA -0.190 56.006 56.287 -0.152 0.000 1.050 69 K CB 0.120 32.543 32.500 -0.130 0.000 0.889 69 K HN 0.526 nan 8.250 nan 0.000 0.484 70 A N 4.621 127.254 122.820 -0.313 0.000 2.331 70 A HA 0.210 4.530 4.320 -0.000 0.000 0.283 70 A C -0.213 177.076 177.584 -0.491 0.000 1.142 70 A CA -0.455 51.427 52.037 -0.259 0.000 0.812 70 A CB 0.321 19.244 19.000 -0.130 0.000 1.074 70 A HN 0.955 nan 8.150 nan 0.000 0.497 71 H N 0.924 120.022 119.070 0.047 0.000 3.058 71 H HA 0.143 4.699 4.556 -0.000 0.000 0.266 71 H C 0.213 175.570 175.328 0.049 0.000 1.135 71 H CA 1.052 57.123 56.048 0.040 0.000 1.174 71 H CB 0.641 30.425 29.762 0.036 0.000 1.581 71 H HN 0.793 nan 8.280 nan 0.000 0.553 72 T N -3.279 111.356 114.554 0.136 0.000 2.906 72 T HA 0.624 4.974 4.350 -0.000 0.000 0.295 72 T C 1.370 176.156 174.700 0.144 0.000 1.075 72 T CA -0.253 61.933 62.100 0.144 0.000 1.005 72 T CB 2.343 71.315 68.868 0.173 0.000 1.136 72 T HN -0.019 nan 8.240 nan 0.000 0.498 73 A N 0.962 123.882 122.820 0.167 0.000 1.908 73 A HA 0.035 4.354 4.320 -0.000 0.000 0.218 73 A C 1.853 179.568 177.584 0.217 0.000 1.181 73 A CA 1.701 53.846 52.037 0.180 0.000 0.627 73 A CB -1.250 17.922 19.000 0.285 0.000 0.818 73 A HN 0.911 nan 8.150 nan 0.000 0.445 74 F N 0.860 120.903 119.950 0.155 0.000 2.095 74 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 74 F C 2.187 178.067 175.800 0.133 0.000 1.104 74 F CA 2.338 60.426 58.000 0.147 0.000 1.232 74 F CB -0.239 38.841 39.000 0.132 0.000 0.987 74 F HN 0.353 nan 8.300 nan 0.000 0.475 75 E N -0.166 120.084 120.200 0.082 0.000 2.106 75 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 75 E C 2.454 179.016 176.600 -0.064 0.000 0.984 75 E CA 0.887 57.269 56.400 -0.030 0.000 0.806 75 E CB -0.607 29.147 29.700 0.091 0.000 0.750 75 E HN 0.599 nan 8.360 nan 0.000 0.458 76 G N 1.031 109.839 108.800 0.012 0.000 2.402 76 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 76 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 76 G C 1.667 176.657 174.900 0.151 0.000 1.162 76 G CA 0.699 45.843 45.100 0.073 0.000 0.777 76 G HN 0.334 nan 8.290 nan 0.000 0.539 77 A N 0.422 123.297 122.820 0.091 0.000 1.898 77 A HA 0.099 4.418 4.320 -0.000 0.000 0.216 77 A C 2.327 179.918 177.584 0.012 0.000 1.181 77 A CA 1.608 53.696 52.037 0.085 0.000 0.620 77 A CB -0.430 18.595 19.000 0.042 0.000 0.819 77 A HN 0.409 nan 8.150 nan 0.000 0.442 78 L N 0.393 121.524 121.223 -0.154 0.000 2.017 78 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 78 L C 1.803 178.696 176.870 0.039 0.000 1.073 78 L CA 2.282 57.056 54.840 -0.111 0.000 0.745 78 L CB -0.916 40.934 42.059 -0.348 0.000 0.894 78 L HN 0.313 nan 8.230 nan 0.000 0.432 79 N N 0.111 118.806 118.700 -0.007 0.000 2.120 79 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 79 N C 1.797 177.330 175.510 0.039 0.000 1.024 79 N CA 1.396 54.450 53.050 0.006 0.000 0.852 79 N CB -0.822 37.612 38.487 -0.088 0.000 1.003 79 N HN 0.524 nan 8.380 nan 0.000 0.424 80 G N 0.554 109.392 108.800 0.063 0.000 2.418 80 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.217 80 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.217 80 G C 1.549 176.577 174.900 0.214 0.000 1.158 80 G CA 0.533 45.760 45.100 0.212 0.000 0.771 80 G HN 0.225 nan 8.290 nan 0.000 0.545 81 M N 0.391 120.055 119.600 0.106 0.000 2.175 81 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 81 M C 2.793 179.044 176.300 -0.083 0.000 1.063 81 M CA 1.520 56.775 55.300 -0.075 0.000 1.119 81 M CB -0.505 31.971 32.600 -0.207 0.000 1.377 81 M HN 0.141 nan 8.290 nan 0.000 0.415 82 T N 0.639 115.303 114.554 0.183 0.000 2.708 82 T HA -0.179 4.170 4.350 -0.000 0.000 0.266 82 T C 1.395 176.165 174.700 0.116 0.000 1.037 82 T CA 1.522 63.789 62.100 0.279 0.000 1.146 82 T CB -0.466 68.565 68.868 0.271 0.000 0.865 82 T HN 0.339 nan 8.240 nan 0.000 0.435 83 F N 0.530 120.470 119.950 -0.018 0.000 2.051 83 F HA -0.119 4.407 4.527 -0.000 0.000 0.296 83 F C 2.246 177.949 175.800 -0.162 0.000 1.122 83 F CA 1.215 59.133 58.000 -0.138 0.000 1.201 83 F CB -0.604 38.318 39.000 -0.129 0.000 0.978 83 F HN 0.164 nan 8.300 nan 0.000 0.472 84 Y N 0.211 120.411 120.300 -0.167 0.000 2.165 84 Y HA -0.265 4.284 4.550 -0.000 0.000 0.286 84 Y C 2.330 178.145 175.900 -0.142 0.000 1.155 84 Y CA 1.807 59.770 58.100 -0.229 0.000 1.164 84 Y CB -0.421 37.969 38.460 -0.116 0.000 0.978 84 Y HN -0.046 nan 8.280 nan 0.000 0.513 85 V N -0.067 119.753 119.914 -0.158 0.000 2.469 85 V HA -0.325 3.795 4.120 -0.000 0.000 0.251 85 V C 2.478 178.435 176.094 -0.228 0.000 1.064 85 V CA 1.889 64.117 62.300 -0.119 0.000 1.066 85 V CB -1.385 30.297 31.823 -0.235 0.000 0.667 85 V HN 0.678 nan 8.190 nan 0.000 0.461 86 G N -0.726 107.864 108.800 -0.350 0.000 2.498 86 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 86 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 86 G C 1.328 175.949 174.900 -0.465 0.000 1.119 86 G CA 0.399 45.272 45.100 -0.379 0.000 0.766 86 G HN 0.528 nan 8.290 nan 0.000 0.552 87 L N -0.322 120.546 121.223 -0.591 0.000 2.607 87 L HA 0.209 4.549 4.340 -0.000 0.000 0.228 87 L C 1.346 177.865 176.870 -0.585 0.000 1.123 87 L CA -0.254 54.268 54.840 -0.530 0.000 0.890 87 L CB 0.019 41.722 42.059 -0.594 0.000 1.103 87 L HN 0.261 nan 8.230 nan 0.000 0.468 88 Q N 1.348 120.657 119.800 -0.818 0.000 2.364 88 Q HA 0.326 4.666 4.340 -0.000 0.000 0.267 88 Q C 0.046 175.537 176.000 -0.849 0.000 0.999 88 Q CA -0.119 54.839 55.803 -1.408 0.000 0.886 88 Q CB 1.323 29.194 28.738 -1.444 0.000 1.243 88 Q HN 0.300 nan 8.270 nan 0.000 0.415 89 A N 2.527 124.816 122.820 -0.884 0.000 2.272 89 A HA 0.093 4.413 4.320 -0.000 0.000 0.275 89 A C 0.759 178.089 177.584 -0.423 0.000 1.096 89 A CA 0.133 51.831 52.037 -0.566 0.000 0.822 89 A CB 0.319 18.969 19.000 -0.584 0.000 1.088 89 A HN 1.000 nan 8.150 nan 0.000 0.495 90 E N -0.165 119.879 120.200 -0.260 0.000 2.268 90 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 90 E C 0.401 176.924 176.600 -0.129 0.000 0.995 90 E CA 1.420 57.715 56.400 -0.176 0.000 0.836 90 E CB -0.265 29.367 29.700 -0.114 0.000 0.763 90 E HN 0.683 nan 8.360 nan 0.000 0.491 91 D N -0.260 120.080 120.400 -0.099 0.000 2.336 91 D HA 0.073 4.713 4.640 -0.000 0.000 0.229 91 D C 1.367 177.663 176.300 -0.006 0.000 1.061 91 D CA 0.644 54.648 54.000 0.006 0.000 0.875 91 D CB 0.399 41.266 40.800 0.111 0.000 0.904 91 D HN 0.384 nan 8.370 nan 0.000 0.525 92 G N 0.272 108.943 108.800 -0.215 0.000 2.213 92 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 92 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 92 G C 0.308 174.890 174.900 -0.530 0.000 0.991 92 G CA 0.257 45.187 45.100 -0.284 0.000 0.629 92 G HN 0.816 nan 8.290 nan 0.000 0.517 93 H N -0.230 118.338 119.070 -0.836 0.000 2.495 93 H HA 0.561 5.117 4.556 -0.000 0.000 0.350 93 H C -0.581 174.340 175.328 -0.678 0.000 1.202 93 H CA -0.973 54.496 56.048 -0.966 0.000 1.322 93 H CB 0.890 29.566 29.762 -1.810 0.000 1.544 93 H HN 0.270 nan 8.280 nan 0.000 0.565 94 W N 2.066 123.028 121.300 -0.564 0.000 2.496 94 W HA 0.193 4.852 4.660 -0.000 0.000 0.327 94 W C 0.326 176.638 176.519 -0.344 0.000 1.086 94 W CA -0.348 56.703 57.345 -0.489 0.000 1.222 94 W CB 2.139 31.446 29.460 -0.255 0.000 1.304 94 W HN 0.748 nan 8.180 nan 0.000 0.547 95 T N 0.194 114.683 114.554 -0.108 0.000 2.880 95 T HA 0.888 5.238 4.350 -0.000 0.000 0.279 95 T C 0.075 174.813 174.700 0.062 0.000 0.990 95 T CA -0.268 61.862 62.100 0.050 0.000 0.938 95 T CB 2.021 71.009 68.868 0.200 0.000 1.206 95 T HN 0.674 nan 8.240 nan 0.000 0.573 96 G N -0.189 108.457 108.800 -0.257 0.000 2.384 96 G HA2 0.345 4.304 3.960 -0.000 0.000 0.300 96 G HA3 0.345 4.304 3.960 -0.000 0.000 0.300 96 G C -1.654 172.581 174.900 -1.109 0.000 1.582 96 G CA -0.870 44.002 45.100 -0.380 0.000 0.875 96 G HN 0.858 nan 8.290 nan 0.000 0.628 97 D N -0.385 119.463 120.400 -0.922 0.000 2.450 97 D HA 0.134 4.774 4.640 -0.000 0.000 0.247 97 D C -0.608 175.483 176.300 -0.347 0.000 1.162 97 D CA 0.365 53.842 54.000 -0.873 0.000 0.879 97 D CB 0.673 41.319 40.800 -0.257 0.000 1.163 97 D HN 0.336 nan 8.370 nan 0.000 0.472 98 Y N 3.475 123.509 120.300 -0.443 0.000 2.629 98 Y HA 0.391 4.941 4.550 -0.000 0.000 0.282 98 Y C 0.356 176.138 175.900 -0.197 0.000 0.994 98 Y CA -0.542 57.384 58.100 -0.289 0.000 1.126 98 Y CB 0.520 38.847 38.460 -0.221 0.000 1.187 98 Y HN 0.366 nan 8.280 nan 0.000 0.600 99 G N -0.703 107.950 108.800 -0.245 0.000 2.531 99 G HA2 0.502 4.461 3.960 -0.000 0.000 0.281 99 G HA3 0.502 4.461 3.960 -0.000 0.000 0.281 99 G C 0.597 175.373 174.900 -0.207 0.000 1.382 99 G CA -0.080 44.889 45.100 -0.218 0.000 1.045 99 G HN 0.776 nan 8.290 nan 0.000 0.533 100 G N -1.466 107.275 108.800 -0.099 0.000 3.753 100 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.196 100 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.196 100 G C -2.610 172.284 174.900 -0.011 0.000 1.538 100 G CA 0.032 45.100 45.100 -0.053 0.000 1.040 100 G HN 0.743 nan 8.290 nan 0.000 0.427 101 P HA 0.510 nan 4.420 nan 0.000 0.269 101 P C 0.380 177.563 177.300 -0.194 0.000 1.215 101 P CA 0.242 63.267 63.100 -0.126 0.000 0.780 101 P CB 0.689 32.173 31.700 -0.361 0.000 0.898 102 L N 1.733 122.879 121.223 -0.129 0.000 3.014 102 L HA 0.277 4.616 4.340 -0.000 0.000 0.263 102 L C 0.462 177.234 176.870 -0.163 0.000 1.207 102 L CA 0.089 54.868 54.840 -0.102 0.000 1.017 102 L CB -0.233 41.823 42.059 -0.005 0.000 1.360 102 L HN 0.401 nan 8.230 nan 0.000 0.560 103 F N -3.412 116.493 119.950 -0.076 0.000 2.654 103 F HA 0.382 4.909 4.527 -0.000 0.000 0.303 103 F C 1.014 176.789 175.800 -0.040 0.000 1.099 103 F CA -0.397 57.505 58.000 -0.163 0.000 1.270 103 F CB -0.487 38.446 39.000 -0.112 0.000 1.024 103 F HN -0.144 nan 8.300 nan 0.000 0.548 104 L N -0.056 120.968 121.223 -0.332 0.000 2.185 104 L HA 0.091 4.431 4.340 -0.000 0.000 0.198 104 L C 2.268 179.011 176.870 -0.212 0.000 1.079 104 L CA 0.590 55.295 54.840 -0.224 0.000 0.780 104 L CB -0.628 41.273 42.059 -0.263 0.000 0.955 104 L HN 0.194 nan 8.230 nan 0.000 0.462 105 L N 0.181 121.281 121.223 -0.205 0.000 2.079 105 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 105 L C -0.284 176.424 176.870 -0.270 0.000 1.081 105 L CA 1.585 56.309 54.840 -0.193 0.000 0.752 105 L CB -1.539 40.434 42.059 -0.143 0.000 0.896 105 L HN 0.200 nan 8.230 nan 0.000 0.433 106 P HA -0.140 nan 4.420 nan 0.000 0.215 106 P C 1.569 178.479 177.300 -0.650 0.000 1.153 106 P CA 1.706 64.561 63.100 -0.408 0.000 0.853 106 P CB -0.153 31.320 31.700 -0.378 0.000 0.788 107 G N -0.129 108.103 108.800 -0.947 0.000 2.408 107 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 107 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 107 G C 1.451 175.843 174.900 -0.847 0.000 1.150 107 G CA 0.487 44.515 45.100 -1.786 0.000 0.776 107 G HN 0.224 nan 8.290 nan 0.000 0.542 108 L N 0.372 121.338 121.223 -0.428 0.000 2.046 108 L HA 0.126 4.466 4.340 -0.000 0.000 0.208 108 L C 2.592 179.360 176.870 -0.171 0.000 1.077 108 L CA 1.428 56.141 54.840 -0.211 0.000 0.747 108 L CB -0.365 41.611 42.059 -0.137 0.000 0.896 108 L HN 0.195 nan 8.230 nan 0.000 0.432 109 L N -1.104 119.997 121.223 -0.203 0.000 2.156 109 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 109 L C 2.471 179.282 176.870 -0.099 0.000 1.095 109 L CA 1.031 55.793 54.840 -0.130 0.000 0.770 109 L CB -0.395 41.578 42.059 -0.143 0.000 0.914 109 L HN 0.266 nan 8.230 nan 0.000 0.439 110 I N -0.586 119.878 120.570 -0.176 0.000 2.315 110 I HA -0.239 3.930 4.170 -0.000 0.000 0.248 110 I C 2.448 178.580 176.117 0.025 0.000 1.117 110 I CA 1.294 62.559 61.300 -0.058 0.000 1.404 110 I CB -0.330 37.631 38.000 -0.064 0.000 1.071 110 I HN 0.216 nan 8.210 nan 0.000 0.419 111 T N -0.222 114.322 114.554 -0.018 0.000 2.777 111 T HA -0.173 4.176 4.350 -0.000 0.000 0.266 111 T C 2.020 176.684 174.700 -0.060 0.000 1.040 111 T CA 1.347 63.459 62.100 0.019 0.000 1.141 111 T CB -0.372 68.540 68.868 0.073 0.000 0.868 111 T HN 0.409 nan 8.240 nan 0.000 0.444 112 C N 0.684 119.962 119.300 -0.038 0.000 2.425 112 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 112 C C 2.594 177.547 174.990 -0.061 0.000 1.280 112 C CA 0.699 59.696 59.018 -0.036 0.000 1.744 112 C CB -1.148 26.585 27.740 -0.011 0.000 1.989 112 C HN 0.676 nan 8.230 nan 0.000 0.491 113 H N 0.432 119.442 119.070 -0.100 0.000 2.326 113 H HA -0.080 4.476 4.556 -0.000 0.000 0.301 113 H C 1.943 177.191 175.328 -0.135 0.000 1.081 113 H CA 2.139 58.132 56.048 -0.092 0.000 1.334 113 H CB -0.184 29.533 29.762 -0.075 0.000 1.385 113 H HN 0.173 nan 8.280 nan 0.000 0.504 114 V N 0.501 120.281 119.914 -0.224 0.000 2.295 114 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 114 V C 2.455 178.115 176.094 -0.724 0.000 1.049 114 V CA 1.861 63.927 62.300 -0.389 0.000 1.024 114 V CB -1.067 30.579 31.823 -0.296 0.000 0.648 114 V HN 0.661 nan 8.190 nan 0.000 0.447 115 A N -1.177 121.156 122.820 -0.811 0.000 2.251 115 A HA 0.130 4.450 4.320 -0.000 0.000 0.209 115 A C 0.972 178.352 177.584 -0.341 0.000 1.187 115 A CA -0.188 51.209 52.037 -1.067 0.000 0.823 115 A CB -0.130 18.270 19.000 -1.000 0.000 0.846 115 A HN 0.416 nan 8.150 nan 0.000 0.486 116 R N -1.144 119.211 120.500 -0.241 0.000 3.423 116 R HA -0.159 4.181 4.340 -0.000 0.000 0.271 116 R C -0.778 175.522 176.300 0.001 0.000 1.093 116 R CA 0.688 56.728 56.100 -0.100 0.000 0.730 116 R CB -3.039 27.240 30.300 -0.035 0.000 1.190 116 R HN 0.600 nan 8.270 nan 0.000 0.437 117 I N 2.658 123.231 120.570 0.005 0.000 2.315 117 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 117 I C -1.283 174.842 176.117 0.014 0.000 1.006 117 I CA -1.889 59.439 61.300 0.046 0.000 1.265 117 I CB 1.188 39.218 38.000 0.049 0.000 1.387 117 I HN -0.121 nan 8.210 nan 0.000 0.475 118 P HA 0.425 nan 4.420 nan 0.000 0.284 118 P C -0.903 176.381 177.300 -0.027 0.000 1.258 118 P CA -0.497 62.602 63.100 -0.002 0.000 0.824 118 P CB 1.580 33.279 31.700 -0.001 0.000 1.038 119 L N 2.563 123.766 121.223 -0.034 0.000 2.334 119 L HA 0.477 4.817 4.340 -0.000 0.000 0.270 119 L C -1.929 174.805 176.870 -0.225 0.000 1.018 119 L CA -2.223 52.557 54.840 -0.101 0.000 0.811 119 L CB 1.207 43.284 42.059 0.030 0.000 1.271 119 L HN 0.256 nan 8.230 nan 0.000 0.443 120 P HA 0.049 nan 4.420 nan 0.000 0.270 120 P C -0.782 176.391 177.300 -0.212 0.000 1.227 120 P CA -0.392 62.420 63.100 -0.480 0.000 0.788 120 P CB 0.380 31.631 31.700 -0.747 0.000 0.926 121 A N 1.199 123.990 122.820 -0.050 0.000 2.565 121 A HA 0.375 4.695 4.320 -0.000 0.000 0.237 121 A C 1.581 179.264 177.584 0.165 0.000 1.053 121 A CA 0.866 52.944 52.037 0.068 0.000 0.755 121 A CB -1.458 17.587 19.000 0.076 0.000 0.980 121 A HN 0.896 nan 8.150 nan 0.000 0.506 122 G N 0.948 109.801 108.800 0.089 0.000 2.284 122 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.247 122 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.247 122 G C 0.890 175.998 174.900 0.347 0.000 1.012 122 G CA 1.009 46.093 45.100 -0.027 0.000 0.618 122 G HN 0.761 nan 8.290 nan 0.000 0.521 123 Y N 0.820 121.224 120.300 0.174 0.000 2.145 123 Y HA -0.008 4.542 4.550 -0.000 0.000 0.286 123 Y C 2.906 178.834 175.900 0.048 0.000 1.145 123 Y CA 1.910 60.096 58.100 0.144 0.000 1.148 123 Y CB -0.617 37.916 38.460 0.121 0.000 0.981 123 Y HN 0.430 nan 8.280 nan 0.000 0.507 124 R N 0.626 121.248 120.500 0.204 0.000 2.083 124 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 124 R C 1.850 178.182 176.300 0.053 0.000 1.137 124 R CA 2.030 58.188 56.100 0.097 0.000 0.951 124 R CB -0.129 30.211 30.300 0.066 0.000 0.851 124 R HN 0.252 nan 8.270 nan 0.000 0.434 125 E N 0.560 120.789 120.200 0.049 0.000 2.038 125 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 125 E C 1.999 178.601 176.600 0.004 0.000 1.000 125 E CA 1.619 58.030 56.400 0.019 0.000 0.803 125 E CB -0.084 29.618 29.700 0.002 0.000 0.750 125 E HN 0.355 nan 8.360 nan 0.000 0.448 126 E N -0.045 120.152 120.200 -0.005 0.000 2.208 126 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 126 E C 2.201 178.754 176.600 -0.079 0.000 0.988 126 E CA 0.520 56.867 56.400 -0.088 0.000 0.828 126 E CB -0.053 29.511 29.700 -0.226 0.000 0.763 126 E HN 0.366 nan 8.360 nan 0.000 0.478 127 I N 0.353 120.895 120.570 -0.046 0.000 2.202 127 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 127 I C 2.395 178.534 176.117 0.037 0.000 1.091 127 I CA 0.573 61.867 61.300 -0.010 0.000 1.368 127 I CB -0.229 37.763 38.000 -0.012 0.000 1.058 127 I HN -0.087 nan 8.210 nan 0.000 0.410 128 V N 1.073 120.994 119.914 0.011 0.000 2.287 128 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 128 V C 2.675 178.784 176.094 0.025 0.000 1.053 128 V CA 1.988 64.292 62.300 0.007 0.000 1.027 128 V CB -0.821 31.000 31.823 -0.003 0.000 0.646 128 V HN 0.442 nan 8.190 nan 0.000 0.447 129 R N -1.084 119.429 120.500 0.021 0.000 2.096 129 R HA -0.221 4.119 4.340 -0.000 0.000 0.235 129 R C 2.335 178.665 176.300 0.050 0.000 1.127 129 R CA 2.198 58.311 56.100 0.022 0.000 0.968 129 R CB -0.478 29.822 30.300 -0.001 0.000 0.861 129 R HN 0.668 nan 8.270 nan 0.000 0.440 130 Y N 1.113 121.381 120.300 -0.054 0.000 2.145 130 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 130 Y C 2.128 178.048 175.900 0.035 0.000 1.145 130 Y CA 1.698 59.776 58.100 -0.037 0.000 1.148 130 Y CB -0.242 38.169 38.460 -0.081 0.000 0.981 130 Y HN 0.002 nan 8.280 nan 0.000 0.507 131 L N 0.043 121.258 121.223 -0.013 0.000 2.083 131 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 131 L C 2.566 179.548 176.870 0.186 0.000 1.083 131 L CA 1.443 56.273 54.840 -0.017 0.000 0.752 131 L CB -0.540 41.489 42.059 -0.050 0.000 0.899 131 L HN 0.227 nan 8.230 nan 0.000 0.433 132 R N -0.578 119.982 120.500 0.099 0.000 2.092 132 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 132 R C 2.496 178.788 176.300 -0.013 0.000 1.119 132 R CA 1.446 57.592 56.100 0.077 0.000 0.970 132 R CB -0.328 29.991 30.300 0.032 0.000 0.864 132 R HN 0.265 nan 8.270 nan 0.000 0.440 133 S N 0.703 116.371 115.700 -0.053 0.000 2.382 133 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 133 S C 2.059 176.588 174.600 -0.117 0.000 1.027 133 S CA 1.528 59.682 58.200 -0.076 0.000 0.991 133 S CB -0.093 63.076 63.200 -0.052 0.000 0.823 133 S HN 0.350 nan 8.310 nan 0.000 0.469 134 V N -0.323 119.479 119.914 -0.188 0.000 3.541 134 V HA 0.179 4.299 4.120 -0.000 0.000 0.267 134 V C 0.751 176.732 176.094 -0.189 0.000 1.213 134 V CA -0.024 62.181 62.300 -0.159 0.000 1.149 134 V CB -0.920 30.737 31.823 -0.277 0.000 0.822 134 V HN 0.347 nan 8.190 nan 0.000 0.462 135 Q N 1.102 120.740 119.800 -0.270 0.000 2.315 135 Q HA 0.224 4.564 4.340 -0.000 0.000 0.289 135 Q C -0.353 175.296 176.000 -0.585 0.000 1.044 135 Q CA 0.033 55.281 55.803 -0.925 0.000 0.920 135 Q CB 0.575 28.856 28.738 -0.761 0.000 1.214 135 Q HN 0.671 nan 8.270 nan 0.000 0.392 136 L N 5.745 126.599 121.223 -0.615 0.000 2.466 136 L HA 0.125 4.465 4.340 -0.000 0.000 0.257 136 L C -1.501 175.203 176.870 -0.276 0.000 1.189 136 L CA -1.662 52.975 54.840 -0.337 0.000 0.813 136 L CB 0.106 42.005 42.059 -0.266 0.000 1.118 136 L HN 0.638 nan 8.230 nan 0.000 0.471 137 P HA -0.166 nan 4.420 nan 0.000 0.218 137 P C 0.576 177.791 177.300 -0.141 0.000 1.148 137 P CA 1.071 64.083 63.100 -0.146 0.000 0.822 137 P CB -0.016 31.620 31.700 -0.106 0.000 0.784 138 D N -1.817 118.498 120.400 -0.142 0.000 2.363 138 D HA 0.040 4.680 4.640 -0.000 0.000 0.226 138 D C 1.440 177.651 176.300 -0.147 0.000 1.020 138 D CA 0.802 54.731 54.000 -0.117 0.000 0.892 138 D CB -0.962 39.786 40.800 -0.087 0.000 0.900 138 D HN 0.233 nan 8.370 nan 0.000 0.531 139 G N -1.345 107.318 108.800 -0.228 0.000 2.195 139 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.246 139 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.246 139 G C 0.602 175.263 174.900 -0.398 0.000 0.984 139 G CA 0.155 45.089 45.100 -0.277 0.000 0.633 139 G HN 0.851 nan 8.290 nan 0.000 0.525 140 G N -1.802 106.785 108.800 -0.355 0.000 2.795 140 G HA2 0.629 4.588 3.960 -0.000 0.000 0.267 140 G HA3 0.629 4.588 3.960 -0.000 0.000 0.267 140 G C -0.592 174.052 174.900 -0.427 0.000 1.362 140 G CA -0.667 44.288 45.100 -0.242 0.000 1.048 140 G HN 0.354 nan 8.290 nan 0.000 0.547 141 W N -1.625 119.652 121.300 -0.039 0.000 3.107 141 W HA 0.541 5.201 4.660 -0.000 0.000 0.331 141 W C 0.123 176.607 176.519 -0.059 0.000 1.204 141 W CA -0.648 56.659 57.345 -0.065 0.000 1.184 141 W CB 1.921 31.337 29.460 -0.074 0.000 1.421 141 W HN 0.885 nan 8.180 nan 0.000 0.544 142 G N 0.241 109.130 108.800 0.148 0.000 2.890 142 G HA2 0.384 4.344 3.960 -0.000 0.000 0.189 142 G HA3 0.384 4.344 3.960 -0.000 0.000 0.189 142 G C -0.099 174.832 174.900 0.052 0.000 1.342 142 G CA -0.428 44.699 45.100 0.044 0.000 1.026 142 G HN 0.386 nan 8.290 nan 0.000 0.579 143 L N -0.264 120.962 121.223 0.007 0.000 2.156 143 L HA 0.238 4.578 4.340 -0.000 0.000 0.208 143 L C 0.953 177.969 176.870 0.243 0.000 1.095 143 L CA 1.830 56.791 54.840 0.201 0.000 0.770 143 L CB -0.776 41.413 42.059 0.217 0.000 0.914 143 L HN 0.774 nan 8.230 nan 0.000 0.439 144 H N -5.010 114.108 119.070 0.079 0.000 2.960 144 H HA 0.313 4.869 4.556 -0.000 0.000 0.323 144 H C 1.003 176.313 175.328 -0.029 0.000 1.326 144 H CA -0.290 55.751 56.048 -0.012 0.000 1.124 144 H CB -0.236 29.435 29.762 -0.153 0.000 1.853 144 H HN -0.061 nan 8.280 nan 0.000 0.536 145 I N -2.282 118.350 120.570 0.103 0.000 2.530 145 I HA -0.095 4.075 4.170 -0.000 0.000 0.257 145 I C 0.465 176.606 176.117 0.041 0.000 1.179 145 I CA 1.541 62.878 61.300 0.061 0.000 1.440 145 I CB -0.174 37.871 38.000 0.074 0.000 1.087 145 I HN 0.569 nan 8.210 nan 0.000 0.440 146 E N 0.930 121.201 120.200 0.118 0.000 2.465 146 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 146 E C -0.240 176.335 176.600 -0.042 0.000 1.028 146 E CA -0.172 56.271 56.400 0.072 0.000 0.899 146 E CB 0.199 29.959 29.700 0.101 0.000 1.032 146 E HN 0.491 nan 8.360 nan 0.000 0.468 147 D N 1.214 121.377 120.400 -0.395 0.000 2.294 147 D HA 0.154 4.794 4.640 -0.000 0.000 0.250 147 D C -0.134 176.071 176.300 -0.158 0.000 1.058 147 D CA -0.263 53.490 54.000 -0.411 0.000 0.950 147 D CB 0.986 41.312 40.800 -0.791 0.000 1.158 147 D HN -0.245 nan 8.370 nan 0.000 0.453 148 K N -0.097 120.256 120.400 -0.078 0.000 2.120 148 K HA 0.287 4.606 4.320 -0.000 0.000 0.245 148 K C 0.111 176.691 176.600 -0.034 0.000 1.024 148 K CA -0.558 55.706 56.287 -0.038 0.000 0.906 148 K CB 0.464 32.963 32.500 -0.002 0.000 1.051 148 K HN 0.517 nan 8.250 nan 0.000 0.491 149 S N 0.031 115.718 115.700 -0.022 0.000 2.564 149 S HA 0.190 4.659 4.470 -0.000 0.000 0.278 149 S C 0.053 174.679 174.600 0.044 0.000 1.333 149 S CA -0.638 57.567 58.200 0.009 0.000 1.048 149 S CB 0.724 63.913 63.200 -0.018 0.000 0.900 149 S HN 0.654 nan 8.310 nan 0.000 0.505 150 T N -1.460 113.148 114.554 0.090 0.000 2.838 150 T HA 0.492 4.841 4.350 -0.000 0.000 0.292 150 T C 0.908 175.693 174.700 0.141 0.000 1.113 150 T CA -0.729 61.435 62.100 0.107 0.000 1.008 150 T CB 0.781 69.726 68.868 0.129 0.000 1.259 150 T HN 0.298 nan 8.240 nan 0.000 0.520 151 V N 0.338 120.336 119.914 0.140 0.000 2.358 151 V HA -0.016 4.103 4.120 -0.000 0.000 0.246 151 V C 2.147 178.372 176.094 0.219 0.000 1.047 151 V CA 1.764 64.155 62.300 0.151 0.000 1.035 151 V CB -1.154 30.744 31.823 0.125 0.000 0.658 151 V HN 0.803 nan 8.190 nan 0.000 0.452 152 F N 2.162 122.146 119.950 0.057 0.000 2.069 152 F HA -0.117 4.409 4.527 -0.000 0.000 0.298 152 F C 2.214 178.072 175.800 0.098 0.000 1.113 152 F CA 1.767 59.807 58.000 0.067 0.000 1.214 152 F CB -1.159 37.854 39.000 0.021 0.000 0.978 152 F HN 0.148 nan 8.300 nan 0.000 0.474 153 G N -1.501 107.342 108.800 0.070 0.000 2.402 153 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.216 153 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.216 153 G C 1.628 176.571 174.900 0.071 0.000 1.162 153 G CA 1.230 46.319 45.100 -0.020 0.000 0.777 153 G HN 0.412 nan 8.290 nan 0.000 0.539 154 T N 1.616 116.301 114.554 0.218 0.000 2.770 154 T HA 0.109 4.459 4.350 -0.000 0.000 0.263 154 T C 2.841 177.658 174.700 0.195 0.000 1.039 154 T CA 1.340 63.658 62.100 0.363 0.000 1.142 154 T CB -0.342 68.700 68.868 0.290 0.000 0.868 154 T HN 0.333 nan 8.240 nan 0.000 0.435 155 A N 1.356 124.241 122.820 0.109 0.000 1.902 155 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 155 A C 2.297 179.905 177.584 0.039 0.000 1.181 155 A CA 1.180 53.257 52.037 0.067 0.000 0.623 155 A CB -0.846 18.188 19.000 0.057 0.000 0.818 155 A HN 0.460 nan 8.150 nan 0.000 0.443 156 L N -0.434 120.761 121.223 -0.046 0.000 2.156 156 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 156 L C 2.043 178.754 176.870 -0.265 0.000 1.095 156 L CA 0.917 55.674 54.840 -0.138 0.000 0.770 156 L CB -0.518 41.417 42.059 -0.208 0.000 0.914 156 L HN 0.419 nan 8.230 nan 0.000 0.439 157 N N -0.849 117.593 118.700 -0.430 0.000 2.376 157 N HA -0.160 4.580 4.740 -0.000 0.000 0.177 157 N C 1.735 176.866 175.510 -0.632 0.000 1.024 157 N CA 0.741 53.309 53.050 -0.804 0.000 0.893 157 N CB 0.050 37.490 38.487 -1.744 0.000 0.980 157 N HN 0.328 nan 8.380 nan 0.000 0.439 158 Y N 2.024 122.081 120.300 -0.405 0.000 2.163 158 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 158 Y C 2.283 178.095 175.900 -0.146 0.000 1.136 158 Y CA 1.265 59.284 58.100 -0.136 0.000 1.147 158 Y CB -0.376 38.089 38.460 0.008 0.000 0.987 158 Y HN -0.255 nan 8.280 nan 0.000 0.509 159 V N -0.346 119.587 119.914 0.032 0.000 2.332 159 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 159 V C 2.428 178.402 176.094 -0.199 0.000 1.055 159 V CA 2.163 64.424 62.300 -0.065 0.000 1.038 159 V CB -0.887 30.925 31.823 -0.018 0.000 0.651 159 V HN 0.455 nan 8.190 nan 0.000 0.450 160 S N -0.039 115.518 115.700 -0.237 0.000 2.359 160 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 160 S C 1.882 176.347 174.600 -0.224 0.000 1.035 160 S CA 1.626 59.681 58.200 -0.242 0.000 1.018 160 S CB -0.374 62.652 63.200 -0.290 0.000 0.876 160 S HN 0.471 nan 8.310 nan 0.000 0.448 161 L N 0.945 122.010 121.223 -0.264 0.000 2.093 161 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 161 L C 2.742 179.478 176.870 -0.223 0.000 1.085 161 L CA 0.957 55.669 54.840 -0.214 0.000 0.755 161 L CB -0.350 41.592 42.059 -0.195 0.000 0.904 161 L HN 0.165 nan 8.230 nan 0.000 0.435 162 R N 0.083 120.400 120.500 -0.306 0.000 2.075 162 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 162 R C 2.208 178.399 176.300 -0.182 0.000 1.126 162 R CA 1.345 57.285 56.100 -0.267 0.000 0.963 162 R CB -0.684 29.427 30.300 -0.315 0.000 0.858 162 R HN 0.376 nan 8.270 nan 0.000 0.435 163 I N 1.011 121.467 120.570 -0.190 0.000 2.286 163 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 163 I C 1.953 178.026 176.117 -0.073 0.000 1.115 163 I CA 1.136 62.345 61.300 -0.152 0.000 1.392 163 I CB -0.170 37.731 38.000 -0.166 0.000 1.065 163 I HN 0.041 nan 8.210 nan 0.000 0.418 164 L N 0.183 121.354 121.223 -0.086 0.000 2.610 164 L HA 0.090 4.429 4.340 -0.000 0.000 0.232 164 L C 1.448 178.293 176.870 -0.041 0.000 1.149 164 L CA 0.712 55.522 54.840 -0.049 0.000 0.872 164 L CB -0.221 41.805 42.059 -0.056 0.000 0.992 164 L HN 0.504 nan 8.230 nan 0.000 0.447 165 G N -0.816 107.949 108.800 -0.058 0.000 2.163 165 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.213 165 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.213 165 G C 0.129 174.997 174.900 -0.054 0.000 0.991 165 G CA -0.191 44.884 45.100 -0.042 0.000 0.653 165 G HN 0.036 nan 8.290 nan 0.000 0.518 166 V N 1.393 121.259 119.914 -0.081 0.000 2.530 166 V HA 0.613 4.733 4.120 -0.000 0.000 0.282 166 V C 1.453 177.487 176.094 -0.099 0.000 1.048 166 V CA 0.242 62.493 62.300 -0.081 0.000 0.997 166 V CB 1.264 33.032 31.823 -0.092 0.000 0.987 166 V HN 0.679 nan 8.190 nan 0.000 0.477 167 G N 5.167 113.928 108.800 -0.065 0.000 2.539 167 G HA2 0.355 4.315 3.960 -0.000 0.000 0.258 167 G HA3 0.355 4.315 3.960 -0.000 0.000 0.258 167 G C -1.198 173.669 174.900 -0.056 0.000 1.202 167 G CA -0.887 44.181 45.100 -0.053 0.000 0.851 167 G HN 0.622 nan 8.290 nan 0.000 0.556 168 P HA -0.005 nan 4.420 nan 0.000 0.230 168 P C 0.332 177.660 177.300 0.047 0.000 1.158 168 P CA 0.828 63.945 63.100 0.029 0.000 0.769 168 P CB 0.487 32.232 31.700 0.075 0.000 0.807 169 D N -0.713 119.698 120.400 0.019 0.000 2.349 169 D HA -0.011 4.629 4.640 -0.000 0.000 0.214 169 D C 0.582 176.888 176.300 0.009 0.000 1.063 169 D CA 0.145 54.154 54.000 0.017 0.000 0.847 169 D CB -0.238 40.569 40.800 0.011 0.000 0.933 169 D HN 0.238 nan 8.370 nan 0.000 0.513 170 D N 1.972 122.373 120.400 0.001 0.000 2.533 170 D HA -0.055 4.584 4.640 -0.000 0.000 0.236 170 D C -1.441 174.863 176.300 0.008 0.000 1.137 170 D CA -1.200 52.798 54.000 -0.002 0.000 0.867 170 D CB 2.156 42.947 40.800 -0.015 0.000 1.170 170 D HN -0.076 nan 8.370 nan 0.000 0.474 171 P HA -0.136 nan 4.420 nan 0.000 0.216 171 P C 0.672 177.972 177.300 -0.000 0.000 1.150 171 P CA 0.951 64.050 63.100 -0.002 0.000 0.843 171 P CB 0.305 31.998 31.700 -0.011 0.000 0.787 172 D N -0.940 119.462 120.400 0.003 0.000 2.149 172 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 172 D C 2.056 178.392 176.300 0.060 0.000 0.972 172 D CA 0.850 54.853 54.000 0.005 0.000 0.835 172 D CB -0.569 40.240 40.800 0.014 0.000 0.966 172 D HN 0.184 nan 8.370 nan 0.000 0.476 173 L N 0.267 121.539 121.223 0.083 0.000 2.156 173 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 173 L C 2.405 179.410 176.870 0.225 0.000 1.095 173 L CA 0.388 55.334 54.840 0.176 0.000 0.770 173 L CB -0.228 41.852 42.059 0.035 0.000 0.914 173 L HN -0.056 nan 8.230 nan 0.000 0.439 174 V N 0.047 120.023 119.914 0.103 0.000 2.295 174 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 174 V C 2.616 178.718 176.094 0.013 0.000 1.049 174 V CA 1.739 64.068 62.300 0.048 0.000 1.024 174 V CB -0.597 31.234 31.823 0.013 0.000 0.648 174 V HN 0.416 nan 8.190 nan 0.000 0.447 175 R N -0.155 120.349 120.500 0.006 0.000 2.081 175 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 175 R C 2.447 178.735 176.300 -0.019 0.000 1.131 175 R CA 1.430 57.513 56.100 -0.028 0.000 0.960 175 R CB -0.565 29.701 30.300 -0.057 0.000 0.856 175 R HN 0.545 nan 8.270 nan 0.000 0.436 176 A N 1.067 123.917 122.820 0.050 0.000 1.877 176 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 176 A C 2.119 179.731 177.584 0.047 0.000 1.186 176 A CA 1.496 53.611 52.037 0.129 0.000 0.620 176 A CB -0.481 18.786 19.000 0.444 0.000 0.822 176 A HN 0.241 nan 8.150 nan 0.000 0.443 177 R N -0.339 120.146 120.500 -0.026 0.000 2.081 177 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 177 R C 1.815 177.919 176.300 -0.327 0.000 1.131 177 R CA 1.762 57.670 56.100 -0.320 0.000 0.960 177 R CB -0.298 29.793 30.300 -0.347 0.000 0.856 177 R HN 0.521 nan 8.270 nan 0.000 0.436 178 N N 0.790 119.372 118.700 -0.198 0.000 2.084 178 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 178 N C 1.743 177.228 175.510 -0.042 0.000 1.030 178 N CA 1.445 54.413 53.050 -0.137 0.000 0.849 178 N CB -0.251 38.187 38.487 -0.082 0.000 1.012 178 N HN 0.317 nan 8.380 nan 0.000 0.423 179 I N 0.236 120.790 120.570 -0.027 0.000 2.353 179 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 179 I C 1.969 178.112 176.117 0.044 0.000 1.119 179 I CA 0.582 61.884 61.300 0.004 0.000 1.417 179 I CB 0.018 38.009 38.000 -0.015 0.000 1.078 179 I HN 0.023 nan 8.210 nan 0.000 0.421 180 L N 0.810 122.063 121.223 0.051 0.000 2.013 180 L HA -0.309 4.031 4.340 -0.000 0.000 0.212 180 L C 2.428 179.394 176.870 0.161 0.000 1.073 180 L CA 2.074 56.969 54.840 0.091 0.000 0.753 180 L CB -1.103 40.984 42.059 0.046 0.000 0.890 180 L HN 0.320 nan 8.230 nan 0.000 0.432 181 H N -0.878 118.162 119.070 -0.051 0.000 2.357 181 H HA -0.176 4.379 4.556 -0.000 0.000 0.301 181 H C 2.152 177.474 175.328 -0.010 0.000 1.082 181 H CA 1.306 57.336 56.048 -0.029 0.000 1.342 181 H CB 0.183 29.927 29.762 -0.031 0.000 1.389 181 H HN 0.329 nan 8.280 nan 0.000 0.511 182 K N 1.523 122.000 120.400 0.127 0.000 2.113 182 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 182 K C 1.696 178.322 176.600 0.044 0.000 1.047 182 K CA 1.405 57.730 56.287 0.064 0.000 0.928 182 K CB 0.144 32.669 32.500 0.041 0.000 0.716 182 K HN 0.130 nan 8.250 nan 0.000 0.446 183 K N -1.576 118.852 120.400 0.047 0.000 2.487 183 K HA 0.079 4.399 4.320 -0.000 0.000 0.192 183 K C 0.702 177.321 176.600 0.030 0.000 1.027 183 K CA 0.558 56.868 56.287 0.038 0.000 1.054 183 K CB 0.712 33.241 32.500 0.048 0.000 0.824 183 K HN 0.426 nan 8.250 nan 0.000 0.510 184 G N 0.032 108.843 108.800 0.018 0.000 2.192 184 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.193 184 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.193 184 G C 0.435 175.318 174.900 -0.029 0.000 0.999 184 G CA -0.335 44.763 45.100 -0.003 0.000 0.659 184 G HN 0.623 nan 8.290 nan 0.000 0.503 185 G N -0.702 108.069 108.800 -0.048 0.000 2.796 185 G HA2 0.289 4.249 3.960 -0.000 0.000 0.226 185 G HA3 0.289 4.249 3.960 -0.000 0.000 0.226 185 G C 1.122 176.024 174.900 0.004 0.000 1.381 185 G CA 1.087 46.124 45.100 -0.104 0.000 0.867 185 G HN 1.871 nan 8.290 nan 0.000 0.552 186 A N -0.735 122.050 122.820 -0.059 0.000 2.168 186 A HA 0.275 4.595 4.320 -0.000 0.000 0.215 186 A C 2.751 180.577 177.584 0.403 0.000 1.152 186 A CA 3.244 55.316 52.037 0.059 0.000 0.716 186 A CB -0.629 18.245 19.000 -0.210 0.000 0.794 186 A HN 2.292 nan 8.150 nan 0.000 0.465 187 V N -3.007 117.197 119.914 0.484 0.000 2.594 187 V HA -0.028 4.092 4.120 -0.000 0.000 0.253 187 V C 2.048 178.353 176.094 0.352 0.000 1.069 187 V CA 1.741 64.333 62.300 0.487 0.000 1.082 187 V CB -1.128 30.784 31.823 0.148 0.000 0.680 187 V HN 0.485 nan 8.190 nan 0.000 0.469 188 A N -0.312 122.638 122.820 0.217 0.000 2.337 188 A HA 0.434 4.754 4.320 -0.000 0.000 0.227 188 A C 0.957 178.615 177.584 0.123 0.000 1.259 188 A CA -0.231 51.889 52.037 0.138 0.000 0.870 188 A CB -0.501 18.549 19.000 0.082 0.000 0.927 188 A HN 0.595 nan 8.150 nan 0.000 0.497 189 I N 1.135 121.802 120.570 0.163 0.000 2.752 189 I HA 0.123 4.293 4.170 -0.000 0.000 0.287 189 I C -2.217 173.925 176.117 0.041 0.000 1.188 189 I CA -1.905 59.473 61.300 0.129 0.000 1.427 189 I CB 1.203 39.300 38.000 0.162 0.000 1.365 189 I HN 0.072 nan 8.210 nan 0.000 0.585 190 P HA -0.027 nan 4.420 nan 0.000 0.268 190 P C 0.470 177.711 177.300 -0.098 0.000 1.208 190 P CA 0.013 63.005 63.100 -0.180 0.000 0.777 190 P CB 0.616 31.992 31.700 -0.540 0.000 0.875 191 S N 0.665 116.360 115.700 -0.007 0.000 2.380 191 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 191 S C 1.524 176.273 174.600 0.248 0.000 1.043 191 S CA 1.311 59.588 58.200 0.128 0.000 1.038 191 S CB -1.419 61.922 63.200 0.235 0.000 0.872 191 S HN 0.404 nan 8.310 nan 0.000 0.456 192 W N 2.307 123.566 121.300 -0.069 0.000 2.374 192 W HA 0.270 4.930 4.660 -0.000 0.000 0.288 192 W C 2.804 179.519 176.519 0.327 0.000 1.218 192 W CA 0.096 57.485 57.345 0.073 0.000 1.245 192 W CB -1.338 28.180 29.460 0.097 0.000 1.126 192 W HN 0.499 nan 8.180 nan 0.000 0.545 193 G N -0.135 108.966 108.800 0.502 0.000 2.408 193 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 193 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 193 G C 1.564 176.561 174.900 0.161 0.000 1.156 193 G CA 0.609 46.045 45.100 0.559 0.000 0.793 193 G HN 0.198 nan 8.290 nan 0.000 0.535 194 K N -0.409 119.940 120.400 -0.085 0.000 2.103 194 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 194 K C 2.079 178.450 176.600 -0.383 0.000 1.048 194 K CA 1.137 57.076 56.287 -0.579 0.000 0.930 194 K CB -0.293 31.885 32.500 -0.537 0.000 0.716 194 K HN 0.366 nan 8.250 nan 0.000 0.444 195 F N 0.103 119.905 119.950 -0.246 0.000 2.075 195 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 195 F C 1.789 177.374 175.800 -0.359 0.000 1.113 195 F CA 1.449 59.245 58.000 -0.340 0.000 1.218 195 F CB -0.351 38.458 39.000 -0.318 0.000 0.984 195 F HN 0.040 nan 8.300 nan 0.000 0.472 196 W N 0.685 121.957 121.300 -0.047 0.000 2.358 196 W HA -0.130 4.529 4.660 -0.000 0.000 0.303 196 W C 2.263 178.645 176.519 -0.228 0.000 1.208 196 W CA 1.062 58.335 57.345 -0.119 0.000 1.274 196 W CB -0.438 29.098 29.460 0.127 0.000 1.138 196 W HN 0.020 nan 8.180 nan 0.000 0.515 197 L N -0.317 120.928 121.223 0.037 0.000 2.201 197 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 197 L C 2.526 179.313 176.870 -0.138 0.000 1.105 197 L CA 0.993 55.841 54.840 0.014 0.000 0.775 197 L CB -1.032 41.099 42.059 0.121 0.000 0.913 197 L HN -0.001 nan 8.230 nan 0.000 0.440 198 A N -0.481 122.054 122.820 -0.475 0.000 1.930 198 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 198 A C 2.313 179.419 177.584 -0.797 0.000 1.176 198 A CA 0.967 52.466 52.037 -0.896 0.000 0.632 198 A CB -0.528 17.364 19.000 -1.848 0.000 0.819 198 A HN 0.151 nan 8.150 nan 0.000 0.445 199 V N -0.353 119.159 119.914 -0.669 0.000 2.407 199 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 199 V C 2.298 178.367 176.094 -0.043 0.000 1.055 199 V CA 1.865 64.026 62.300 -0.232 0.000 1.049 199 V CB -0.494 31.191 31.823 -0.230 0.000 0.662 199 V HN 0.572 nan 8.190 nan 0.000 0.455 200 L N 0.612 121.811 121.223 -0.040 0.000 2.599 200 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 200 L C 1.151 178.034 176.870 0.022 0.000 1.141 200 L CA 0.850 55.709 54.840 0.030 0.000 0.877 200 L CB -0.917 41.156 42.059 0.024 0.000 1.009 200 L HN 0.536 nan 8.230 nan 0.000 0.447 201 N N -0.946 117.739 118.700 -0.025 0.000 2.776 201 N HA -0.175 4.564 4.740 -0.000 0.000 0.249 201 N C 0.580 176.115 175.510 0.042 0.000 1.111 201 N CA 1.040 54.090 53.050 0.000 0.000 0.711 201 N CB -1.243 37.275 38.487 0.053 0.000 1.065 201 N HN 0.353 nan 8.380 nan 0.000 0.556 202 V N -3.714 116.248 119.914 0.079 0.000 3.477 202 V HA 0.477 4.597 4.120 -0.000 0.000 0.297 202 V C -0.008 176.356 176.094 0.451 0.000 1.433 202 V CA -0.043 62.381 62.300 0.207 0.000 1.052 202 V CB -0.067 31.854 31.823 0.163 0.000 0.895 202 V HN 0.253 nan 8.190 nan 0.000 0.438 203 Y N 0.378 120.699 120.300 0.034 0.000 2.441 203 Y HA 0.672 5.222 4.550 -0.000 0.000 0.334 203 Y C -0.052 175.437 175.900 -0.685 0.000 1.061 203 Y CA -0.742 57.246 58.100 -0.187 0.000 1.032 203 Y CB 2.130 40.594 38.460 0.006 0.000 1.266 203 Y HN 0.068 nan 8.280 nan 0.000 0.441 204 S N 4.365 119.124 115.700 -1.569 0.000 2.549 204 S HA 0.027 4.497 4.470 -0.000 0.000 0.279 204 S C 0.610 174.943 174.600 -0.445 0.000 1.321 204 S CA -0.247 57.290 58.200 -1.106 0.000 1.054 204 S CB 0.352 62.459 63.200 -1.822 0.000 0.899 204 S HN 0.871 nan 8.310 nan 0.000 0.497 205 W N 2.104 123.295 121.300 -0.182 0.000 2.387 205 W HA -0.061 4.598 4.660 -0.000 0.000 0.272 205 W C 1.875 178.425 176.519 0.052 0.000 1.224 205 W CA 0.310 57.643 57.345 -0.020 0.000 1.210 205 W CB 0.138 29.529 29.460 -0.114 0.000 1.125 205 W HN 0.674 nan 8.180 nan 0.000 0.572 206 E N -1.058 119.230 120.200 0.147 0.000 2.478 206 E HA 0.030 4.380 4.350 -0.000 0.000 0.194 206 E C 1.994 178.721 176.600 0.211 0.000 1.045 206 E CA 0.689 57.189 56.400 0.167 0.000 0.868 206 E CB -0.525 29.227 29.700 0.085 0.000 0.885 206 E HN 0.236 nan 8.360 nan 0.000 0.505 207 G N 0.839 109.756 108.800 0.196 0.000 3.314 207 G HA2 0.321 4.280 3.960 -0.000 0.000 0.238 207 G HA3 0.321 4.280 3.960 -0.000 0.000 0.238 207 G C 0.212 175.421 174.900 0.515 0.000 1.184 207 G CA -0.102 45.240 45.100 0.404 0.000 0.806 207 G HN 0.144 nan 8.290 nan 0.000 0.536 208 L N -3.885 117.568 121.223 0.382 0.000 2.393 208 L HA 0.596 4.936 4.340 -0.000 0.000 0.260 208 L C -0.801 176.165 176.870 0.160 0.000 1.002 208 L CA -1.579 53.423 54.840 0.270 0.000 0.818 208 L CB 0.878 43.089 42.059 0.254 0.000 1.369 208 L HN -0.309 nan 8.230 nan 0.000 0.412 209 N N 0.690 119.373 118.700 -0.028 0.000 2.407 209 N HA 0.009 4.749 4.740 -0.000 0.000 0.250 209 N C 0.060 175.439 175.510 -0.218 0.000 1.236 209 N CA 0.213 53.083 53.050 -0.301 0.000 0.879 209 N CB 0.814 38.728 38.487 -0.954 0.000 1.088 209 N HN 0.907 nan 8.380 nan 0.000 0.450 210 T N 1.424 115.889 114.554 -0.148 0.000 2.946 210 T HA 0.020 4.370 4.350 -0.000 0.000 0.312 210 T C 1.389 175.945 174.700 -0.240 0.000 1.066 210 T CA 0.008 61.988 62.100 -0.200 0.000 1.138 210 T CB 0.080 69.039 68.868 0.153 0.000 1.014 210 T HN 0.313 nan 8.240 nan 0.000 0.544 211 L N 5.711 126.494 121.223 -0.734 0.000 2.653 211 L HA 0.340 4.679 4.340 -0.000 0.000 0.232 211 L C 0.953 177.883 176.870 0.101 0.000 1.169 211 L CA -0.316 54.390 54.840 -0.224 0.000 0.951 211 L CB -0.578 41.325 42.059 -0.260 0.000 1.181 211 L HN 0.878 nan 8.230 nan 0.000 0.460 212 F N 2.419 122.376 119.950 0.011 0.000 2.350 212 F HA -0.240 4.286 4.527 -0.000 0.000 0.155 212 F C -1.203 174.705 175.800 0.181 0.000 1.043 212 F CA -0.843 57.245 58.000 0.146 0.000 0.794 212 F CB 0.026 39.111 39.000 0.141 0.000 0.678 212 F HN 0.153 nan 8.300 nan 0.000 0.816 213 P HA -0.186 nan 4.420 nan 0.000 0.220 213 P C 1.027 178.265 177.300 -0.104 0.000 1.148 213 P CA 1.549 64.652 63.100 0.005 0.000 0.803 213 P CB 0.174 31.863 31.700 -0.019 0.000 0.782 214 E N -1.009 118.973 120.200 -0.363 0.000 2.333 214 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 214 E C 1.889 178.212 176.600 -0.462 0.000 1.007 214 E CA 0.662 56.811 56.400 -0.419 0.000 0.845 214 E CB -0.821 28.647 29.700 -0.387 0.000 0.766 214 E HN 0.097 nan 8.360 nan 0.000 0.507 215 M N -1.008 118.163 119.600 -0.715 0.000 2.202 215 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 215 M C 0.846 177.103 176.300 -0.072 0.000 1.063 215 M CA 1.435 56.608 55.300 -0.212 0.000 1.097 215 M CB -0.252 32.202 32.600 -0.242 0.000 1.382 215 M HN 0.191 nan 8.290 nan 0.000 0.413 216 W N -0.376 120.809 121.300 -0.191 0.000 2.525 216 W HA -0.021 4.639 4.660 -0.000 0.000 0.259 216 W C 1.607 178.108 176.519 -0.031 0.000 1.253 216 W CA 0.822 58.076 57.345 -0.152 0.000 1.262 216 W CB -0.611 28.760 29.460 -0.149 0.000 1.122 216 W HN 0.174 nan 8.180 nan 0.000 0.607 217 L N -1.514 119.758 121.223 0.082 0.000 2.509 217 L HA 0.095 4.435 4.340 -0.000 0.000 0.222 217 L C 0.591 177.385 176.870 -0.127 0.000 1.123 217 L CA -0.257 54.565 54.840 -0.029 0.000 0.856 217 L CB -0.579 41.391 42.059 -0.147 0.000 0.985 217 L HN -0.242 nan 8.230 nan 0.000 0.456 218 F N 1.231 121.147 119.950 -0.056 0.000 2.545 218 F HA 0.109 4.636 4.527 -0.000 0.000 0.348 218 F C -1.520 174.135 175.800 -0.241 0.000 1.163 218 F CA -1.785 56.133 58.000 -0.136 0.000 1.331 218 F CB -0.211 38.717 39.000 -0.119 0.000 1.138 218 F HN -0.204 nan 8.300 nan 0.000 0.602 219 P HA 0.001 nan 4.420 nan 0.000 0.267 219 P C -0.082 176.683 177.300 -0.892 0.000 1.200 219 P CA 0.085 62.786 63.100 -0.664 0.000 0.772 219 P CB 0.582 31.540 31.700 -1.238 0.000 0.855 220 D N 1.135 121.049 120.400 -0.810 0.000 2.271 220 D HA -0.150 4.490 4.640 -0.000 0.000 0.207 220 D C 1.368 177.349 176.300 -0.531 0.000 0.983 220 D CA 1.158 54.579 54.000 -0.965 0.000 0.878 220 D CB -0.313 40.209 40.800 -0.463 0.000 0.920 220 D HN 0.632 nan 8.370 nan 0.000 0.479 221 W N 0.283 121.457 121.300 -0.210 0.000 3.256 221 W HA 0.500 5.160 4.660 -0.000 0.000 0.269 221 W C 0.156 176.638 176.519 -0.062 0.000 1.310 221 W CA -0.364 56.916 57.345 -0.108 0.000 1.673 221 W CB -0.453 28.966 29.460 -0.069 0.000 1.115 221 W HN -0.178 nan 8.180 nan 0.000 0.686 222 A N 3.348 125.936 122.820 -0.387 0.000 2.462 222 A HA 0.349 4.669 4.320 -0.000 0.000 0.243 222 A C -2.109 175.430 177.584 -0.075 0.000 1.076 222 A CA -1.235 50.661 52.037 -0.235 0.000 0.773 222 A CB -0.460 18.306 19.000 -0.391 0.000 1.010 222 A HN -0.071 nan 8.150 nan 0.000 0.493 223 P HA 0.272 nan 4.420 nan 0.000 0.265 223 P C 0.490 177.697 177.300 -0.156 0.000 1.193 223 P CA 1.422 64.481 63.100 -0.069 0.000 0.765 223 P CB 0.749 32.412 31.700 -0.061 0.000 0.823 224 A N 1.191 123.924 122.820 -0.143 0.000 2.899 224 A HA -0.250 4.070 4.320 -0.000 0.000 0.257 224 A C 0.773 178.201 177.584 -0.259 0.000 1.335 224 A CA 0.671 52.588 52.037 -0.200 0.000 0.924 224 A CB -2.904 15.958 19.000 -0.231 0.000 1.105 224 A HN 0.803 nan 8.150 nan 0.000 0.765 225 H N 0.462 119.352 119.070 -0.299 0.000 3.001 225 H HA 0.131 4.687 4.556 -0.000 0.000 0.334 225 H C -1.217 173.837 175.328 -0.457 0.000 1.034 225 H CA 0.040 55.866 56.048 -0.370 0.000 1.420 225 H CB 0.772 30.331 29.762 -0.340 0.000 1.405 225 H HN 0.165 nan 8.280 nan 0.000 0.593 226 P HA -0.183 nan 4.420 nan 0.000 0.217 226 P C 1.525 178.370 177.300 -0.757 0.000 1.148 226 P CA 2.031 64.488 63.100 -1.072 0.000 0.828 226 P CB 0.029 30.537 31.700 -1.988 0.000 0.783 227 S N -1.420 113.766 115.700 -0.857 0.000 2.465 227 S HA -0.138 4.332 4.470 -0.000 0.000 0.241 227 S C 1.665 176.101 174.600 -0.273 0.000 1.000 227 S CA 1.735 59.468 58.200 -0.779 0.000 0.964 227 S CB -1.849 60.693 63.200 -1.097 0.000 0.763 227 S HN 0.333 nan 8.310 nan 0.000 0.512 228 T N -0.824 113.609 114.554 -0.202 0.000 3.086 228 T HA 0.435 4.784 4.350 -0.000 0.000 0.250 228 T C 0.435 175.094 174.700 -0.069 0.000 1.074 228 T CA -0.504 61.538 62.100 -0.097 0.000 0.988 228 T CB -0.400 68.419 68.868 -0.082 0.000 0.988 228 T HN 0.311 nan 8.240 nan 0.000 0.530 229 L N 0.785 121.958 121.223 -0.084 0.000 2.399 229 L HA 0.481 4.821 4.340 -0.000 0.000 0.265 229 L C 0.320 177.276 176.870 0.143 0.000 1.089 229 L CA -1.422 53.415 54.840 -0.004 0.000 0.802 229 L CB 0.487 42.514 42.059 -0.054 0.000 1.180 229 L HN 0.262 nan 8.230 nan 0.000 0.454 230 W N 1.791 123.088 121.300 -0.004 0.000 2.343 230 W HA -0.004 4.655 4.660 -0.000 0.000 0.337 230 W C 1.354 177.911 176.519 0.064 0.000 1.320 230 W CA -0.984 56.400 57.345 0.065 0.000 1.290 230 W CB 0.494 30.031 29.460 0.127 0.000 1.206 230 W HN 0.802 nan 8.180 nan 0.000 0.565 231 C N 3.913 123.110 119.300 -0.171 0.000 2.413 231 C HA -0.260 4.200 4.460 -0.000 0.000 0.276 231 C C 2.561 177.069 174.990 -0.804 0.000 1.248 231 C CA 1.720 60.496 59.018 -0.403 0.000 1.742 231 C CB -1.432 26.049 27.740 -0.432 0.000 2.017 231 C HN 0.761 nan 8.230 nan 0.000 0.481 232 H N -0.325 117.906 119.070 -1.399 0.000 2.456 232 H HA -0.116 4.439 4.556 -0.000 0.000 0.296 232 H C 2.620 177.627 175.328 -0.534 0.000 1.079 232 H CA 1.852 57.178 56.048 -1.203 0.000 1.322 232 H CB -0.412 28.223 29.762 -1.878 0.000 1.388 232 H HN 0.744 nan 8.280 nan 0.000 0.538 233 C N 1.545 120.763 119.300 -0.135 0.000 2.518 233 C HA -0.050 4.410 4.460 -0.000 0.000 0.279 233 C C 3.074 178.231 174.990 0.279 0.000 1.279 233 C CA 0.896 60.078 59.018 0.273 0.000 1.703 233 C CB -0.586 27.401 27.740 0.412 0.000 2.072 233 C HN 0.658 nan 8.230 nan 0.000 0.487 234 R N 0.338 120.941 120.500 0.172 0.000 2.120 234 R HA -0.152 4.187 4.340 -0.000 0.000 0.234 234 R C 1.961 178.441 176.300 0.300 0.000 1.123 234 R CA 2.097 58.360 56.100 0.270 0.000 0.975 234 R CB -0.748 29.668 30.300 0.194 0.000 0.866 234 R HN 0.496 nan 8.270 nan 0.000 0.446 235 Q N 0.639 120.493 119.800 0.090 0.000 2.297 235 Q HA 0.036 4.376 4.340 -0.000 0.000 0.204 235 Q C 1.771 177.743 176.000 -0.047 0.000 0.962 235 Q CA 1.059 56.880 55.803 0.028 0.000 0.879 235 Q CB 0.327 28.963 28.738 -0.170 0.000 0.947 235 Q HN 0.283 nan 8.270 nan 0.000 0.462 236 V N -0.964 118.902 119.914 -0.081 0.000 2.426 236 V HA -0.131 3.989 4.120 -0.000 0.000 0.242 236 V C 1.223 177.098 176.094 -0.364 0.000 1.036 236 V CA 1.112 63.247 62.300 -0.275 0.000 1.044 236 V CB -0.422 31.163 31.823 -0.396 0.000 0.688 236 V HN 0.310 nan 8.190 nan 0.000 0.462 237 Y N -0.233 120.005 120.300 -0.104 0.000 2.352 237 Y HA -0.172 4.377 4.550 -0.000 0.000 0.292 237 Y C 2.141 178.032 175.900 -0.014 0.000 1.136 237 Y CA 1.403 59.465 58.100 -0.063 0.000 1.227 237 Y CB -0.310 38.201 38.460 0.085 0.000 0.991 237 Y HN 0.213 nan 8.280 nan 0.000 0.545 238 L N 1.915 123.221 121.223 0.137 0.000 1.956 238 L HA -0.145 4.195 4.340 -0.000 0.000 0.216 238 L C -0.579 176.170 176.870 -0.202 0.000 1.073 238 L CA 2.151 56.874 54.840 -0.194 0.000 0.762 238 L CB -1.755 40.147 42.059 -0.262 0.000 0.889 238 L HN -0.007 nan 8.230 nan 0.000 0.433 239 P HA -0.144 nan 4.420 nan 0.000 0.222 239 P C 1.960 179.212 177.300 -0.079 0.000 1.153 239 P CA 1.613 64.654 63.100 -0.098 0.000 0.798 239 P CB -0.110 31.523 31.700 -0.111 0.000 0.796 240 M N -0.279 119.147 119.600 -0.290 0.000 2.086 240 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 240 M C 2.316 178.610 176.300 -0.010 0.000 1.067 240 M CA 1.816 56.847 55.300 -0.447 0.000 1.116 240 M CB -0.773 31.266 32.600 -0.935 0.000 1.348 240 M HN -0.077 nan 8.290 nan 0.000 0.407 241 S N -0.537 115.159 115.700 -0.006 0.000 2.368 241 S HA -0.175 4.294 4.470 -0.000 0.000 0.225 241 S C 1.668 176.284 174.600 0.027 0.000 1.030 241 S CA 1.132 59.369 58.200 0.061 0.000 0.999 241 S CB -0.462 62.761 63.200 0.038 0.000 0.844 241 S HN 0.437 nan 8.310 nan 0.000 0.459 242 Y N 1.584 121.825 120.300 -0.099 0.000 2.097 242 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 242 Y C 2.599 178.422 175.900 -0.129 0.000 1.152 242 Y CA 1.173 59.209 58.100 -0.107 0.000 1.136 242 Y CB -0.850 37.552 38.460 -0.096 0.000 0.975 242 Y HN 0.268 nan 8.280 nan 0.000 0.498 243 C N -0.640 118.759 119.300 0.165 0.000 2.425 243 C HA -0.178 4.282 4.460 -0.000 0.000 0.277 243 C C 2.516 177.263 174.990 -0.406 0.000 1.280 243 C CA 1.159 60.184 59.018 0.013 0.000 1.744 243 C CB -1.796 26.112 27.740 0.281 0.000 1.989 243 C HN 0.747 nan 8.230 nan 0.000 0.491 244 Y N 2.244 122.274 120.300 -0.450 0.000 2.145 244 Y HA -0.099 4.451 4.550 -0.000 0.000 0.286 244 Y C 2.502 177.987 175.900 -0.691 0.000 1.145 244 Y CA 1.668 59.269 58.100 -0.832 0.000 1.148 244 Y CB -0.550 37.755 38.460 -0.257 0.000 0.981 244 Y HN 0.206 nan 8.280 nan 0.000 0.507 245 A N -0.019 122.552 122.820 -0.415 0.000 1.908 245 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 245 A C 2.106 179.350 177.584 -0.567 0.000 1.181 245 A CA 2.551 54.314 52.037 -0.457 0.000 0.627 245 A CB -1.567 17.199 19.000 -0.390 0.000 0.818 245 A HN 0.669 nan 8.150 nan 0.000 0.445 246 V N -5.060 114.480 119.914 -0.623 0.000 3.649 246 V HA 0.228 4.348 4.120 -0.000 0.000 0.275 246 V C 0.533 176.313 176.094 -0.524 0.000 1.281 246 V CA 0.203 62.203 62.300 -0.501 0.000 1.143 246 V CB -0.828 30.727 31.823 -0.446 0.000 0.892 246 V HN 0.461 nan 8.190 nan 0.000 0.441 247 R N -0.243 119.760 120.500 -0.830 0.000 3.333 247 R HA -0.175 4.165 4.340 -0.000 0.000 0.256 247 R C -0.013 176.010 176.300 -0.462 0.000 1.010 247 R CA 0.689 56.174 56.100 -1.024 0.000 0.680 247 R CB -2.393 27.528 30.300 -0.633 0.000 1.102 247 R HN 0.696 nan 8.270 nan 0.000 0.440 248 L N 1.055 122.051 121.223 -0.378 0.000 2.615 248 L HA 0.002 4.342 4.340 -0.000 0.000 0.271 248 L C 0.016 177.040 176.870 0.258 0.000 1.183 248 L CA 0.797 55.578 54.840 -0.098 0.000 0.933 248 L CB 0.430 42.378 42.059 -0.184 0.000 1.199 248 L HN 0.201 nan 8.230 nan 0.000 0.487 249 S N 3.655 119.490 115.700 0.225 0.000 2.571 249 S HA 0.651 5.121 4.470 -0.000 0.000 0.284 249 S C -0.206 174.502 174.600 0.180 0.000 1.128 249 S CA -0.580 57.760 58.200 0.234 0.000 0.970 249 S CB 1.839 65.174 63.200 0.224 0.000 1.039 249 S HN 0.840 nan 8.310 nan 0.000 0.485 250 A N 2.209 125.113 122.820 0.141 0.000 2.507 250 A HA 0.610 4.929 4.320 -0.000 0.000 0.235 250 A C 0.717 178.377 177.584 0.128 0.000 1.070 250 A CA 0.028 52.145 52.037 0.134 0.000 0.768 250 A CB -0.219 18.871 19.000 0.150 0.000 1.011 250 A HN 1.144 nan 8.150 nan 0.000 0.502 251 A N 1.055 123.947 122.820 0.120 0.000 2.466 251 A HA 0.327 4.647 4.320 -0.000 0.000 0.238 251 A C 0.479 178.117 177.584 0.089 0.000 1.074 251 A CA -0.148 51.948 52.037 0.100 0.000 0.774 251 A CB -0.072 18.979 19.000 0.086 0.000 1.015 251 A HN 0.804 nan 8.150 nan 0.000 0.498 252 E N 1.277 121.521 120.200 0.073 0.000 2.676 252 E HA 0.051 4.401 4.350 -0.000 0.000 0.318 252 E C -0.420 176.213 176.600 0.054 0.000 1.514 252 E CA -0.034 56.403 56.400 0.061 0.000 1.667 252 E CB -0.475 29.257 29.700 0.053 0.000 1.336 252 E HN 0.785 nan 8.360 nan 0.000 0.492 253 D N -0.714 119.729 120.400 0.071 0.000 2.352 253 D HA -0.031 4.609 4.640 -0.000 0.000 0.238 253 D C -1.669 174.660 176.300 0.049 0.000 1.286 253 D CA -1.312 52.727 54.000 0.066 0.000 0.923 253 D CB 0.441 41.296 40.800 0.091 0.000 1.146 253 D HN -0.142 nan 8.370 nan 0.000 0.471 254 P HA -0.047 nan 4.420 nan 0.000 0.221 254 P C 1.425 178.735 177.300 0.016 0.000 1.150 254 P CA 0.389 63.504 63.100 0.025 0.000 0.800 254 P CB -0.005 31.710 31.700 0.025 0.000 0.787 255 L N -0.456 120.781 121.223 0.024 0.000 2.027 255 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 255 L C 2.163 179.014 176.870 -0.032 0.000 1.074 255 L CA 1.820 56.652 54.840 -0.014 0.000 0.745 255 L CB -1.232 40.805 42.059 -0.036 0.000 0.898 255 L HN -0.213 nan 8.230 nan 0.000 0.433 256 V N -0.184 119.723 119.914 -0.011 0.000 2.287 256 V HA -0.353 3.766 4.120 -0.000 0.000 0.248 256 V C 2.612 178.675 176.094 -0.051 0.000 1.053 256 V CA 2.183 64.470 62.300 -0.021 0.000 1.027 256 V CB -0.702 31.137 31.823 0.027 0.000 0.646 256 V HN 0.577 nan 8.190 nan 0.000 0.447 257 Q N -0.210 119.566 119.800 -0.039 0.000 2.084 257 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 257 Q C 2.467 178.426 176.000 -0.067 0.000 0.978 257 Q CA 1.977 57.740 55.803 -0.067 0.000 0.844 257 Q CB -0.261 28.462 28.738 -0.026 0.000 0.898 257 Q HN 0.674 nan 8.270 nan 0.000 0.426 258 S N 1.208 116.892 115.700 -0.028 0.000 2.368 258 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 258 S C 1.990 176.595 174.600 0.009 0.000 1.030 258 S CA 0.901 59.098 58.200 -0.004 0.000 0.999 258 S CB -0.292 62.915 63.200 0.012 0.000 0.844 258 S HN 0.265 nan 8.310 nan 0.000 0.459 259 L N 1.050 122.275 121.223 0.003 0.000 2.079 259 L HA -0.111 4.228 4.340 -0.000 0.000 0.210 259 L C 2.711 179.598 176.870 0.029 0.000 1.081 259 L CA 1.212 56.079 54.840 0.045 0.000 0.752 259 L CB -0.462 41.616 42.059 0.031 0.000 0.896 259 L HN 0.240 nan 8.230 nan 0.000 0.433 260 R N -0.416 120.029 120.500 -0.092 0.000 2.152 260 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 260 R C 2.007 178.305 176.300 -0.003 0.000 1.117 260 R CA 0.912 56.858 56.100 -0.256 0.000 0.981 260 R CB -0.103 29.576 30.300 -1.035 0.000 0.870 260 R HN 0.414 nan 8.270 nan 0.000 0.451 261 Q N -0.160 119.644 119.800 0.007 0.000 2.392 261 Q HA -0.011 4.329 4.340 -0.000 0.000 0.203 261 Q C 0.907 176.988 176.000 0.134 0.000 0.917 261 Q CA 0.786 56.647 55.803 0.096 0.000 0.939 261 Q CB 0.776 29.548 28.738 0.057 0.000 1.063 261 Q HN 0.496 nan 8.270 nan 0.000 0.516 262 E N -0.166 120.105 120.200 0.117 0.000 2.290 262 E HA 0.117 4.467 4.350 -0.000 0.000 0.197 262 E C 1.668 178.305 176.600 0.062 0.000 0.948 262 E CA 0.028 56.487 56.400 0.099 0.000 0.895 262 E CB 0.450 30.238 29.700 0.146 0.000 0.865 262 E HN 0.147 nan 8.360 nan 0.000 0.486 263 L N 0.135 121.326 121.223 -0.052 0.000 2.341 263 L HA 0.076 4.416 4.340 -0.000 0.000 0.214 263 L C 0.131 176.729 176.870 -0.453 0.000 1.115 263 L CA 0.413 55.063 54.840 -0.317 0.000 0.820 263 L CB 0.106 41.830 42.059 -0.558 0.000 0.944 263 L HN 0.074 nan 8.230 nan 0.000 0.452 264 Y N -2.187 118.135 120.300 0.036 0.000 2.446 264 Y HA 0.253 4.803 4.550 -0.000 0.000 0.338 264 Y C 0.944 176.653 175.900 -0.317 0.000 1.055 264 Y CA -0.673 57.362 58.100 -0.108 0.000 1.101 264 Y CB 1.557 40.042 38.460 0.043 0.000 1.221 264 Y HN -0.395 nan 8.280 nan 0.000 0.460 265 V N 0.320 120.110 119.914 -0.206 0.000 2.535 265 V HA -0.080 4.040 4.120 -0.000 0.000 0.246 265 V C 0.719 176.783 176.094 -0.051 0.000 1.045 265 V CA 1.029 63.195 62.300 -0.224 0.000 1.058 265 V CB -0.380 31.333 31.823 -0.183 0.000 0.689 265 V HN 0.747 nan 8.190 nan 0.000 0.461 266 E N 0.694 120.874 120.200 -0.033 0.000 2.345 266 E HA 0.123 4.473 4.350 -0.000 0.000 0.259 266 E C -0.391 176.198 176.600 -0.019 0.000 1.117 266 E CA -0.770 55.596 56.400 -0.056 0.000 0.913 266 E CB 0.410 30.028 29.700 -0.136 0.000 1.057 266 E HN 0.184 nan 8.360 nan 0.000 0.432 267 D N 0.588 120.968 120.400 -0.033 0.000 2.425 267 D HA -0.067 4.573 4.640 -0.000 0.000 0.247 267 D C 0.514 176.798 176.300 -0.027 0.000 1.147 267 D CA -0.104 53.903 54.000 0.012 0.000 0.879 267 D CB 0.289 41.087 40.800 -0.003 0.000 1.179 267 D HN 0.442 nan 8.370 nan 0.000 0.456 268 F N 3.979 123.890 119.950 -0.065 0.000 2.126 268 F HA -0.210 4.316 4.527 -0.000 0.000 0.299 268 F C 2.086 177.827 175.800 -0.098 0.000 1.096 268 F CA 1.924 59.858 58.000 -0.109 0.000 1.255 268 F CB 0.112 39.126 39.000 0.023 0.000 0.997 268 F HN 0.496 nan 8.300 nan 0.000 0.479 269 A N -0.840 121.971 122.820 -0.015 0.000 2.119 269 A HA -0.067 4.252 4.320 -0.000 0.000 0.217 269 A C 2.122 179.609 177.584 -0.162 0.000 1.153 269 A CA 1.330 53.327 52.037 -0.067 0.000 0.692 269 A CB -1.005 18.033 19.000 0.063 0.000 0.799 269 A HN 0.485 nan 8.150 nan 0.000 0.458 270 S N -0.724 114.854 115.700 -0.205 0.000 2.517 270 S HA 0.252 4.722 4.470 -0.000 0.000 0.214 270 S C 0.563 174.948 174.600 -0.358 0.000 0.991 270 S CA -0.411 57.660 58.200 -0.215 0.000 0.906 270 S CB -0.550 62.562 63.200 -0.146 0.000 0.789 270 S HN 0.367 nan 8.310 nan 0.000 0.513 271 I N 3.410 123.626 120.570 -0.590 0.000 2.821 271 I HA -0.001 4.168 4.170 -0.000 0.000 0.294 271 I C 0.185 175.772 176.117 -0.882 0.000 1.210 271 I CA 0.252 61.003 61.300 -0.914 0.000 1.430 271 I CB 0.187 37.211 38.000 -1.627 0.000 1.356 271 I HN 0.169 nan 8.210 nan 0.000 0.563 272 D N 6.695 126.720 120.400 -0.625 0.000 2.468 272 D HA 0.057 4.697 4.640 -0.000 0.000 0.218 272 D C 0.616 176.681 176.300 -0.392 0.000 1.155 272 D CA -0.260 53.512 54.000 -0.381 0.000 0.924 272 D CB 0.311 40.978 40.800 -0.221 0.000 1.029 272 D HN 0.373 nan 8.370 nan 0.000 0.515 273 W N 3.059 124.250 121.300 -0.183 0.000 2.338 273 W HA -0.164 4.496 4.660 -0.000 0.000 0.304 273 W C 2.173 178.650 176.519 -0.071 0.000 1.212 273 W CA 0.194 57.431 57.345 -0.180 0.000 1.264 273 W CB -0.147 29.193 29.460 -0.200 0.000 1.142 273 W HN 0.388 nan 8.180 nan 0.000 0.512 274 L N -0.060 121.268 121.223 0.175 0.000 2.079 274 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 274 L C 2.508 179.431 176.870 0.088 0.000 1.081 274 L CA 1.397 56.316 54.840 0.132 0.000 0.752 274 L CB -1.496 40.620 42.059 0.096 0.000 0.896 274 L HN 0.046 nan 8.230 nan 0.000 0.433 275 A N -0.831 122.006 122.820 0.029 0.000 2.172 275 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 275 A C 1.942 179.539 177.584 0.022 0.000 1.154 275 A CA 0.908 52.947 52.037 0.003 0.000 0.701 275 A CB -0.153 18.817 19.000 -0.049 0.000 0.789 275 A HN 0.446 nan 8.150 nan 0.000 0.465 276 Q N -0.638 119.202 119.800 0.068 0.000 2.319 276 Q HA 0.130 4.470 4.340 -0.000 0.000 0.202 276 Q C 1.558 177.683 176.000 0.209 0.000 0.896 276 Q CA 0.093 55.977 55.803 0.134 0.000 0.942 276 Q CB -0.128 28.721 28.738 0.185 0.000 1.083 276 Q HN 0.699 nan 8.270 nan 0.000 0.510 277 R N 1.112 121.717 120.500 0.175 0.000 2.103 277 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 277 R C 0.825 177.169 176.300 0.072 0.000 1.142 277 R CA 1.223 57.409 56.100 0.143 0.000 0.960 277 R CB 0.059 30.415 30.300 0.093 0.000 0.858 277 R HN 0.185 nan 8.270 nan 0.000 0.439 278 N N 0.321 119.043 118.700 0.037 0.000 2.238 278 N HA -0.012 4.728 4.740 -0.000 0.000 0.222 278 N C -0.652 174.840 175.510 -0.030 0.000 1.133 278 N CA 0.033 53.062 53.050 -0.035 0.000 0.854 278 N CB 0.327 38.798 38.487 -0.027 0.000 1.041 278 N HN 0.058 nan 8.380 nan 0.000 0.510 279 N N 1.110 119.825 118.700 0.026 0.000 2.469 279 N HA 0.172 4.912 4.740 -0.000 0.000 0.239 279 N C -1.387 174.145 175.510 0.036 0.000 1.053 279 N CA -0.022 53.047 53.050 0.032 0.000 0.937 279 N CB 0.510 39.035 38.487 0.063 0.000 1.163 279 N HN -0.261 nan 8.380 nan 0.000 0.509 280 V N 2.131 122.044 119.914 -0.002 0.000 2.525 280 V HA 0.546 4.666 4.120 -0.000 0.000 0.299 280 V C 0.076 176.168 176.094 -0.003 0.000 1.034 280 V CA -1.433 60.863 62.300 -0.007 0.000 0.863 280 V CB 1.355 33.148 31.823 -0.051 0.000 0.999 280 V HN 0.759 nan 8.190 nan 0.000 0.423 281 A N 7.674 130.503 122.820 0.016 0.000 2.561 281 A HA 0.287 4.606 4.320 -0.000 0.000 0.251 281 A C -0.813 176.775 177.584 0.007 0.000 1.062 281 A CA -0.332 51.716 52.037 0.019 0.000 0.761 281 A CB -0.074 18.948 19.000 0.036 0.000 0.986 281 A HN 0.720 nan 8.150 nan 0.000 0.510 282 P HA -0.120 nan 4.420 nan 0.000 0.221 282 P C 0.394 177.698 177.300 0.007 0.000 1.150 282 P CA 1.054 64.154 63.100 -0.001 0.000 0.800 282 P CB 0.181 31.880 31.700 -0.001 0.000 0.787 283 D N 0.466 120.875 120.400 0.016 0.000 2.218 283 D HA -0.142 4.498 4.640 -0.000 0.000 0.204 283 D C 1.659 177.980 176.300 0.035 0.000 0.976 283 D CA 1.067 55.083 54.000 0.026 0.000 0.853 283 D CB -0.244 40.573 40.800 0.028 0.000 0.939 283 D HN 0.530 nan 8.370 nan 0.000 0.481 284 E N -0.270 119.947 120.200 0.028 0.000 2.548 284 E HA 0.066 4.416 4.350 -0.000 0.000 0.206 284 E C 0.338 176.942 176.600 0.008 0.000 1.005 284 E CA -0.234 56.185 56.400 0.031 0.000 0.951 284 E CB 0.046 29.767 29.700 0.036 0.000 1.035 284 E HN 0.134 nan 8.360 nan 0.000 0.470 285 L N 2.612 123.837 121.223 0.003 0.000 2.363 285 L HA 0.150 4.490 4.340 -0.000 0.000 0.286 285 L C 0.355 177.238 176.870 0.021 0.000 1.106 285 L CA -0.247 54.586 54.840 -0.011 0.000 0.859 285 L CB 0.276 42.321 42.059 -0.022 0.000 1.223 285 L HN 0.237 nan 8.230 nan 0.000 0.446 286 Y N 3.293 123.551 120.300 -0.070 0.000 2.286 286 Y HA -0.038 4.512 4.550 -0.000 0.000 0.293 286 Y C 0.814 176.706 175.900 -0.014 0.000 1.124 286 Y CA 0.852 58.929 58.100 -0.038 0.000 1.178 286 Y CB 0.588 39.016 38.460 -0.053 0.000 1.010 286 Y HN 0.401 nan 8.280 nan 0.000 0.536 287 T N 3.837 118.409 114.554 0.031 0.000 3.064 287 T HA 0.310 4.660 4.350 -0.000 0.000 0.367 287 T C -2.727 172.009 174.700 0.061 0.000 1.202 287 T CA -1.415 60.698 62.100 0.021 0.000 1.133 287 T CB 1.228 70.168 68.868 0.119 0.000 1.074 287 T HN -0.064 nan 8.240 nan 0.000 0.519 288 P HA 0.085 nan 4.420 nan 0.000 0.269 288 P C 0.083 177.493 177.300 0.182 0.000 1.215 288 P CA -0.243 62.899 63.100 0.070 0.000 0.780 288 P CB 0.301 32.020 31.700 0.032 0.000 0.898 289 H N -0.096 118.994 119.070 0.032 0.000 2.928 289 H HA 0.095 4.651 4.556 -0.000 0.000 0.338 289 H C 1.028 176.361 175.328 0.008 0.000 1.047 289 H CA -0.351 55.713 56.048 0.028 0.000 1.435 289 H CB 0.521 30.325 29.762 0.070 0.000 1.428 289 H HN 0.491 nan 8.280 nan 0.000 0.590 290 S N 4.460 120.182 115.700 0.036 0.000 2.589 290 S HA -0.083 4.387 4.470 -0.000 0.000 0.265 290 S C 1.646 176.224 174.600 -0.038 0.000 1.342 290 S CA -0.800 57.378 58.200 -0.037 0.000 1.005 290 S CB 0.564 63.626 63.200 -0.229 0.000 0.909 290 S HN 0.905 nan 8.310 nan 0.000 0.555 291 W N 1.219 122.540 121.300 0.035 0.000 2.325 291 W HA -0.171 4.489 4.660 -0.000 0.000 0.299 291 W C 1.425 177.955 176.519 0.018 0.000 1.215 291 W CA 0.863 58.227 57.345 0.031 0.000 1.244 291 W CB -1.354 28.117 29.460 0.018 0.000 1.140 291 W HN 0.633 nan 8.180 nan 0.000 0.523 292 L N 1.511 122.072 121.223 -1.104 0.000 2.056 292 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 292 L C 2.553 179.123 176.870 -0.500 0.000 1.078 292 L CA 1.817 55.988 54.840 -1.116 0.000 0.749 292 L CB -1.332 39.802 42.059 -1.541 0.000 0.901 292 L HN 0.017 nan 8.230 nan 0.000 0.433 293 L N -0.362 120.606 121.223 -0.425 0.000 2.141 293 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 293 L C 2.625 179.407 176.870 -0.146 0.000 1.094 293 L CA 1.487 56.113 54.840 -0.357 0.000 0.763 293 L CB -0.695 41.122 42.059 -0.404 0.000 0.908 293 L HN 0.255 nan 8.230 nan 0.000 0.437 294 R N -1.071 119.430 120.500 0.003 0.000 2.081 294 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 294 R C 2.128 178.492 176.300 0.106 0.000 1.131 294 R CA 1.602 57.789 56.100 0.145 0.000 0.960 294 R CB -0.965 29.434 30.300 0.165 0.000 0.856 294 R HN 0.328 nan 8.270 nan 0.000 0.436 295 V N 0.911 120.854 119.914 0.050 0.000 2.307 295 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 295 V C 2.564 178.658 176.094 -0.001 0.000 1.045 295 V CA 1.504 63.834 62.300 0.050 0.000 1.024 295 V CB -0.412 31.448 31.823 0.061 0.000 0.651 295 V HN 0.065 nan 8.190 nan 0.000 0.449 296 V N -1.080 118.774 119.914 -0.101 0.000 2.287 296 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 296 V C 2.145 178.185 176.094 -0.091 0.000 1.053 296 V CA 2.387 64.585 62.300 -0.169 0.000 1.027 296 V CB -0.738 30.891 31.823 -0.324 0.000 0.646 296 V HN 0.566 nan 8.190 nan 0.000 0.447 297 Y N -0.194 120.072 120.300 -0.058 0.000 2.293 297 Y HA -0.192 4.358 4.550 -0.000 0.000 0.291 297 Y C 2.508 178.422 175.900 0.024 0.000 1.137 297 Y CA 0.670 58.761 58.100 -0.014 0.000 1.202 297 Y CB -0.260 38.227 38.460 0.045 0.000 0.990 297 Y HN 0.267 nan 8.280 nan 0.000 0.537 298 A N 0.177 123.114 122.820 0.196 0.000 1.908 298 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 298 A C 2.122 179.778 177.584 0.120 0.000 1.181 298 A CA 1.552 53.673 52.037 0.141 0.000 0.627 298 A CB -0.938 18.129 19.000 0.111 0.000 0.818 298 A HN 0.482 nan 8.150 nan 0.000 0.445 299 L N -0.927 120.349 121.223 0.088 0.000 2.044 299 L HA -0.082 4.257 4.340 -0.000 0.000 0.205 299 L C 2.523 179.448 176.870 0.092 0.000 1.075 299 L CA 0.815 55.699 54.840 0.074 0.000 0.747 299 L CB -0.435 41.636 42.059 0.021 0.000 0.903 299 L HN 0.342 nan 8.230 nan 0.000 0.435 300 L N -0.349 120.898 121.223 0.041 0.000 2.093 300 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 300 L C 2.220 179.196 176.870 0.176 0.000 1.085 300 L CA 0.800 55.640 54.840 0.001 0.000 0.755 300 L CB -0.559 41.395 42.059 -0.174 0.000 0.904 300 L HN 0.362 nan 8.230 nan 0.000 0.435 301 N N 0.010 118.825 118.700 0.191 0.000 2.309 301 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 301 N C 1.860 177.500 175.510 0.216 0.000 1.018 301 N CA 0.866 54.033 53.050 0.195 0.000 0.876 301 N CB 0.038 38.613 38.487 0.148 0.000 0.972 301 N HN 0.322 nan 8.380 nan 0.000 0.434 302 L N -0.252 121.101 121.223 0.216 0.000 2.023 302 L HA -0.178 4.162 4.340 -0.000 0.000 0.205 302 L C 2.212 179.287 176.870 0.342 0.000 1.073 302 L CA 1.272 56.265 54.840 0.254 0.000 0.745 302 L CB -0.515 41.675 42.059 0.218 0.000 0.900 302 L HN 0.129 nan 8.230 nan 0.000 0.435 303 Y N 1.213 121.653 120.300 0.234 0.000 2.151 303 Y HA -0.382 4.168 4.550 -0.000 0.000 0.284 303 Y C 2.562 178.661 175.900 0.332 0.000 1.166 303 Y CA 2.247 60.509 58.100 0.270 0.000 1.163 303 Y CB -0.043 38.533 38.460 0.194 0.000 0.974 303 Y HN 0.302 nan 8.280 nan 0.000 0.511 304 E N -0.400 119.937 120.200 0.230 0.000 2.070 304 E HA -0.324 4.025 4.350 -0.000 0.000 0.197 304 E C 2.047 178.743 176.600 0.158 0.000 1.004 304 E CA 2.166 58.703 56.400 0.228 0.000 0.805 304 E CB -0.693 29.185 29.700 0.296 0.000 0.744 304 E HN 0.719 nan 8.360 nan 0.000 0.451 305 H N -1.744 117.321 119.070 -0.008 0.000 2.387 305 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 305 H C 0.851 175.913 175.328 -0.443 0.000 1.099 305 H CA 2.079 58.001 56.048 -0.209 0.000 1.315 305 H CB -0.003 29.579 29.762 -0.300 0.000 1.380 305 H HN 0.333 nan 8.280 nan 0.000 0.513 306 H N -0.332 118.737 119.070 -0.001 0.000 2.487 306 H HA 0.082 4.638 4.556 -0.000 0.000 0.290 306 H C -0.007 175.104 175.328 -0.362 0.000 1.081 306 H CA 0.062 56.040 56.048 -0.116 0.000 1.116 306 H CB -0.147 29.613 29.762 -0.002 0.000 1.560 306 H HN 0.477 nan 8.280 nan 0.000 0.548 307 H N -0.449 118.368 119.070 -0.422 0.000 2.852 307 H HA 0.082 4.638 4.556 -0.000 0.000 0.362 307 H C 0.234 175.460 175.328 -0.170 0.000 1.122 307 H CA 0.005 55.655 56.048 -0.663 0.000 1.419 307 H CB 1.018 30.443 29.762 -0.561 0.000 1.401 307 H HN 0.155 nan 8.280 nan 0.000 0.609 308 S N 1.443 117.228 115.700 0.141 0.000 2.488 308 S HA 0.285 4.755 4.470 -0.000 0.000 0.278 308 S C 1.298 176.046 174.600 0.248 0.000 1.259 308 S CA -0.225 58.085 58.200 0.184 0.000 1.061 308 S CB 0.113 63.484 63.200 0.285 0.000 0.910 308 S HN 0.792 nan 8.310 nan 0.000 0.491 309 A N 4.307 127.192 122.820 0.109 0.000 1.972 309 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 309 A C 1.853 179.514 177.584 0.129 0.000 1.169 309 A CA 2.026 54.137 52.037 0.124 0.000 0.635 309 A CB -1.157 17.862 19.000 0.032 0.000 0.810 309 A HN 1.101 nan 8.150 nan 0.000 0.446 310 H N -0.276 118.833 119.070 0.065 0.000 2.299 310 H HA 0.033 4.589 4.556 -0.000 0.000 0.302 310 H C 1.771 177.135 175.328 0.059 0.000 1.078 310 H CA 1.838 57.916 56.048 0.050 0.000 1.323 310 H CB -0.252 29.534 29.762 0.040 0.000 1.381 310 H HN 0.317 nan 8.280 nan 0.000 0.498 311 L N -0.066 121.193 121.223 0.059 0.000 2.083 311 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 311 L C 2.774 179.629 176.870 -0.025 0.000 1.083 311 L CA 1.688 56.534 54.840 0.010 0.000 0.752 311 L CB -0.351 41.800 42.059 0.153 0.000 0.899 311 L HN 0.312 nan 8.230 nan 0.000 0.433 312 R N 0.042 120.569 120.500 0.046 0.000 2.081 312 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 312 R C 2.325 178.578 176.300 -0.079 0.000 1.131 312 R CA 1.654 57.746 56.100 -0.013 0.000 0.960 312 R CB -0.239 30.060 30.300 -0.002 0.000 0.856 312 R HN 0.330 nan 8.270 nan 0.000 0.436 313 Q N 0.072 119.822 119.800 -0.083 0.000 2.124 313 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 313 Q C 2.144 178.075 176.000 -0.115 0.000 0.977 313 Q CA 1.871 57.611 55.803 -0.104 0.000 0.850 313 Q CB -0.055 28.623 28.738 -0.099 0.000 0.901 313 Q HN 0.320 nan 8.270 nan 0.000 0.429 314 R N -0.424 119.976 120.500 -0.166 0.000 2.075 314 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 314 R C 2.111 178.376 176.300 -0.059 0.000 1.126 314 R CA 1.304 57.326 56.100 -0.131 0.000 0.963 314 R CB -0.322 29.865 30.300 -0.188 0.000 0.858 314 R HN 0.310 nan 8.270 nan 0.000 0.435 315 A N 0.171 122.951 122.820 -0.066 0.000 1.877 315 A HA -0.093 4.226 4.320 -0.000 0.000 0.216 315 A C 2.257 179.815 177.584 -0.043 0.000 1.186 315 A CA 1.558 53.569 52.037 -0.044 0.000 0.620 315 A CB -0.656 18.305 19.000 -0.065 0.000 0.822 315 A HN 0.221 nan 8.150 nan 0.000 0.443 316 V N 0.140 120.009 119.914 -0.075 0.000 2.392 316 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 316 V C 2.781 178.934 176.094 0.100 0.000 1.059 316 V CA 2.455 64.708 62.300 -0.078 0.000 1.051 316 V CB -0.686 31.017 31.823 -0.201 0.000 0.658 316 V HN 0.771 nan 8.190 nan 0.000 0.455 317 Q N 0.706 120.548 119.800 0.070 0.000 2.119 317 Q HA -0.195 4.144 4.340 -0.000 0.000 0.201 317 Q C 2.184 178.290 176.000 0.175 0.000 0.972 317 Q CA 2.017 57.901 55.803 0.135 0.000 0.847 317 Q CB -0.385 28.394 28.738 0.069 0.000 0.903 317 Q HN 0.605 nan 8.270 nan 0.000 0.433 318 K N -0.370 120.099 120.400 0.115 0.000 2.025 318 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 318 K C 2.009 178.672 176.600 0.105 0.000 1.049 318 K CA 1.237 57.608 56.287 0.140 0.000 0.933 318 K CB -0.191 32.376 32.500 0.111 0.000 0.714 318 K HN 0.304 nan 8.250 nan 0.000 0.438 319 L N 0.024 121.241 121.223 -0.009 0.000 2.013 319 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 319 L C 2.524 179.398 176.870 0.007 0.000 1.073 319 L CA 1.710 56.461 54.840 -0.149 0.000 0.753 319 L CB -0.721 41.271 42.059 -0.112 0.000 0.890 319 L HN 0.296 nan 8.230 nan 0.000 0.432 320 Y N 1.079 121.405 120.300 0.042 0.000 2.145 320 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 320 Y C 2.547 178.418 175.900 -0.047 0.000 1.145 320 Y CA 1.857 59.929 58.100 -0.047 0.000 1.148 320 Y CB -0.042 38.437 38.460 0.032 0.000 0.981 320 Y HN 0.199 nan 8.280 nan 0.000 0.507 321 E N -0.962 119.219 120.200 -0.032 0.000 2.085 321 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 321 E C 1.951 178.433 176.600 -0.197 0.000 0.994 321 E CA 1.426 57.754 56.400 -0.121 0.000 0.801 321 E CB -0.410 29.356 29.700 0.110 0.000 0.743 321 E HN 0.679 nan 8.360 nan 0.000 0.453 322 H N 0.025 119.011 119.070 -0.140 0.000 2.462 322 H HA 0.006 4.562 4.556 -0.000 0.000 0.292 322 H C 2.180 177.330 175.328 -0.298 0.000 1.049 322 H CA 0.788 56.756 56.048 -0.134 0.000 1.334 322 H CB 0.218 29.978 29.762 -0.003 0.000 1.404 322 H HN 0.172 nan 8.280 nan 0.000 0.544 323 I N -0.028 120.401 120.570 -0.234 0.000 2.286 323 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 323 I C 2.414 178.315 176.117 -0.361 0.000 1.104 323 I CA 0.492 61.633 61.300 -0.265 0.000 1.397 323 I CB -0.030 37.811 38.000 -0.266 0.000 1.072 323 I HN -0.011 nan 8.210 nan 0.000 0.417 324 V N 1.118 120.710 119.914 -0.537 0.000 2.407 324 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 324 V C 2.699 178.440 176.094 -0.587 0.000 1.055 324 V CA 1.966 63.943 62.300 -0.538 0.000 1.049 324 V CB -1.017 30.423 31.823 -0.638 0.000 0.662 324 V HN 0.485 nan 8.190 nan 0.000 0.455 325 A N 0.257 122.585 122.820 -0.820 0.000 1.877 325 A HA -0.306 4.014 4.320 -0.000 0.000 0.216 325 A C 2.076 178.920 177.584 -1.234 0.000 1.186 325 A CA 2.223 53.439 52.037 -1.368 0.000 0.620 325 A CB -0.751 16.947 19.000 -2.170 0.000 0.822 325 A HN 0.593 nan 8.150 nan 0.000 0.443 326 D N -0.299 119.702 120.400 -0.664 0.000 2.117 326 D HA -0.159 4.480 4.640 -0.000 0.000 0.197 326 D C 1.284 177.481 176.300 -0.172 0.000 0.987 326 D CA 1.584 55.429 54.000 -0.260 0.000 0.829 326 D CB -0.181 40.620 40.800 0.003 0.000 0.961 326 D HN 0.365 nan 8.370 nan 0.000 0.460 327 D N -0.311 119.967 120.400 -0.204 0.000 2.104 327 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 327 D C 2.265 178.460 176.300 -0.175 0.000 0.994 327 D CA 0.758 54.665 54.000 -0.154 0.000 0.830 327 D CB -0.193 40.532 40.800 -0.125 0.000 0.959 327 D HN 0.251 nan 8.370 nan 0.000 0.452 328 R N -0.333 120.005 120.500 -0.270 0.000 2.073 328 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 328 R C 2.278 178.581 176.300 0.006 0.000 1.134 328 R CA 0.936 56.925 56.100 -0.185 0.000 0.952 328 R CB -0.314 29.810 30.300 -0.292 0.000 0.850 328 R HN 0.164 nan 8.270 nan 0.000 0.433 329 F N 0.153 120.006 119.950 -0.162 0.000 2.333 329 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 329 F C 2.187 177.918 175.800 -0.116 0.000 1.083 329 F CA 1.363 59.265 58.000 -0.164 0.000 1.395 329 F CB -0.805 38.051 39.000 -0.240 0.000 1.056 329 F HN 0.129 nan 8.300 nan 0.000 0.529 330 T N -4.315 110.307 114.554 0.114 0.000 3.091 330 T HA 0.195 4.544 4.350 -0.000 0.000 0.277 330 T C 0.611 175.340 174.700 0.048 0.000 0.996 330 T CA -0.373 61.793 62.100 0.110 0.000 0.897 330 T CB -0.180 68.812 68.868 0.207 0.000 1.109 330 T HN 0.115 nan 8.240 nan 0.000 0.534 331 K N 1.530 121.930 120.400 -0.001 0.000 3.077 331 K HA -0.180 4.139 4.320 -0.000 0.000 0.264 331 K C 0.203 176.751 176.600 -0.087 0.000 1.008 331 K CA 0.479 56.742 56.287 -0.040 0.000 0.740 331 K CB -2.229 30.261 32.500 -0.018 0.000 1.273 331 K HN 0.502 nan 8.250 nan 0.000 0.477 332 S N -2.292 113.312 115.700 -0.159 0.000 3.561 332 S HA -0.223 4.247 4.470 -0.000 0.000 0.318 332 S C 0.925 175.457 174.600 -0.114 0.000 1.181 332 S CA 1.213 59.190 58.200 -0.371 0.000 0.916 332 S CB -1.160 61.647 63.200 -0.656 0.000 0.966 332 S HN 0.529 nan 8.310 nan 0.000 0.550 333 I N -0.004 120.609 120.570 0.070 0.000 3.265 333 I HA 0.068 4.238 4.170 -0.000 0.000 0.282 333 I C 1.456 177.764 176.117 0.319 0.000 1.207 333 I CA 0.761 62.212 61.300 0.252 0.000 1.449 333 I CB 0.158 38.262 38.000 0.174 0.000 1.121 333 I HN 0.490 nan 8.210 nan 0.000 0.442 334 S N 0.076 115.920 115.700 0.241 0.000 3.513 334 S HA -0.284 4.186 4.470 -0.000 0.000 0.636 334 S C 0.734 175.449 174.600 0.192 0.000 2.452 334 S CA 0.889 59.235 58.200 0.243 0.000 2.644 334 S CB -0.912 62.378 63.200 0.149 0.000 0.331 334 S HN 0.436 nan 8.310 nan 0.000 1.787 335 I N 0.876 121.350 120.570 -0.159 0.000 3.419 335 I HA 0.401 4.571 4.170 -0.000 0.000 0.286 335 I C 0.941 176.926 176.117 -0.219 0.000 1.268 335 I CA 1.153 62.059 61.300 -0.656 0.000 1.414 335 I CB -0.262 36.701 38.000 -1.728 0.000 1.074 335 I HN 0.775 nan 8.210 nan 0.000 0.457 336 G N -0.146 108.637 108.800 -0.028 0.000 2.506 336 G HA2 0.216 4.176 3.960 -0.000 0.000 0.292 336 G HA3 0.216 4.176 3.960 -0.000 0.000 0.292 336 G C -2.619 172.245 174.900 -0.060 0.000 1.425 336 G CA -0.330 44.824 45.100 0.090 0.000 0.788 336 G HN -0.255 nan 8.290 nan 0.000 0.490 337 P HA -0.016 nan 4.420 nan 0.000 0.217 337 P C 1.805 178.952 177.300 -0.254 0.000 1.151 337 P CA 0.899 63.657 63.100 -0.570 0.000 0.828 337 P CB 0.455 31.953 31.700 -0.337 0.000 0.788 338 I N 0.899 121.432 120.570 -0.062 0.000 2.163 338 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 338 I C 2.773 178.885 176.117 -0.007 0.000 1.081 338 I CA 2.001 63.334 61.300 0.055 0.000 1.353 338 I CB -0.841 37.251 38.000 0.153 0.000 1.054 338 I HN 0.042 nan 8.210 nan 0.000 0.407 339 S N 0.768 116.426 115.700 -0.070 0.000 2.382 339 S HA -0.218 4.252 4.470 -0.000 0.000 0.228 339 S C 2.083 176.669 174.600 -0.024 0.000 1.027 339 S CA 0.911 59.064 58.200 -0.079 0.000 0.991 339 S CB -0.395 62.744 63.200 -0.102 0.000 0.823 339 S HN 0.297 nan 8.310 nan 0.000 0.469 340 K N 1.566 121.949 120.400 -0.029 0.000 2.032 340 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 340 K C 2.058 178.664 176.600 0.010 0.000 1.048 340 K CA 2.107 58.423 56.287 0.048 0.000 0.927 340 K CB -1.215 31.235 32.500 -0.084 0.000 0.712 340 K HN 0.491 nan 8.250 nan 0.000 0.441 341 T N 1.930 116.468 114.554 -0.026 0.000 2.737 341 T HA -0.045 4.305 4.350 -0.000 0.000 0.265 341 T C 2.004 176.770 174.700 0.110 0.000 1.038 341 T CA 1.569 63.690 62.100 0.034 0.000 1.144 341 T CB -0.113 68.800 68.868 0.075 0.000 0.866 341 T HN 0.245 nan 8.240 nan 0.000 0.434 342 I N 1.404 122.058 120.570 0.139 0.000 2.439 342 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 342 I C 2.298 178.418 176.117 0.005 0.000 1.139 342 I CA 0.739 62.106 61.300 0.112 0.000 1.438 342 I CB -0.524 37.474 38.000 -0.002 0.000 1.085 342 I HN 0.117 nan 8.210 nan 0.000 0.427 343 N N 1.253 119.916 118.700 -0.062 0.000 2.069 343 N HA -0.217 4.522 4.740 -0.000 0.000 0.191 343 N C 1.875 177.214 175.510 -0.285 0.000 1.031 343 N CA 1.515 54.497 53.050 -0.113 0.000 0.852 343 N CB -0.387 38.105 38.487 0.008 0.000 1.018 343 N HN 0.370 nan 8.380 nan 0.000 0.423 344 M N -0.064 119.189 119.600 -0.578 0.000 2.108 344 M HA -0.131 4.348 4.480 -0.000 0.000 0.261 344 M C 1.852 178.192 176.300 0.067 0.000 1.066 344 M CA 1.334 56.279 55.300 -0.593 0.000 1.107 344 M CB -0.078 32.283 32.600 -0.398 0.000 1.356 344 M HN 0.142 nan 8.290 nan 0.000 0.406 345 L N 0.118 121.406 121.223 0.109 0.000 2.083 345 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 345 L C 2.071 179.136 176.870 0.324 0.000 1.083 345 L CA 1.534 56.518 54.840 0.240 0.000 0.752 345 L CB -0.669 41.513 42.059 0.206 0.000 0.899 345 L HN 0.221 nan 8.230 nan 0.000 0.433 346 V N -0.156 119.848 119.914 0.151 0.000 2.358 346 V HA -0.222 3.897 4.120 -0.000 0.000 0.246 346 V C 2.771 178.959 176.094 0.156 0.000 1.047 346 V CA 1.607 63.942 62.300 0.058 0.000 1.035 346 V CB -0.806 30.890 31.823 -0.212 0.000 0.658 346 V HN 0.414 nan 8.190 nan 0.000 0.452 347 R N -0.961 119.651 120.500 0.187 0.000 2.092 347 R HA -0.177 4.163 4.340 -0.000 0.000 0.231 347 R C 1.884 178.332 176.300 0.247 0.000 1.119 347 R CA 1.518 57.772 56.100 0.256 0.000 0.970 347 R CB -1.175 29.323 30.300 0.331 0.000 0.864 347 R HN 0.741 nan 8.270 nan 0.000 0.440 348 W N 0.774 122.132 121.300 0.097 0.000 2.354 348 W HA -0.262 4.397 4.660 -0.000 0.000 0.315 348 W C 2.170 178.622 176.519 -0.112 0.000 1.206 348 W CA 1.377 58.575 57.345 -0.245 0.000 1.290 348 W CB -0.871 28.414 29.460 -0.292 0.000 1.152 348 W HN 0.161 nan 8.180 nan 0.000 0.489 349 Y N 0.302 120.546 120.300 -0.092 0.000 2.165 349 Y HA -0.267 4.283 4.550 -0.000 0.000 0.286 349 Y C 2.142 177.826 175.900 -0.360 0.000 1.155 349 Y CA 3.063 60.948 58.100 -0.358 0.000 1.164 349 Y CB -0.504 38.014 38.460 0.096 0.000 0.978 349 Y HN -0.120 nan 8.280 nan 0.000 0.513 350 V N -0.227 119.603 119.914 -0.139 0.000 2.403 350 V HA -0.158 3.962 4.120 -0.000 0.000 0.239 350 V C 1.435 177.378 176.094 -0.251 0.000 1.041 350 V CA 1.920 64.061 62.300 -0.265 0.000 1.051 350 V CB -0.481 31.143 31.823 -0.332 0.000 0.704 350 V HN 0.232 nan 8.190 nan 0.000 0.472 351 D N 0.167 120.504 120.400 -0.104 0.000 2.234 351 D HA 0.323 4.963 4.640 -0.000 0.000 0.205 351 D C 1.005 177.217 176.300 -0.147 0.000 0.962 351 D CA 1.282 55.246 54.000 -0.059 0.000 0.855 351 D CB -0.004 40.845 40.800 0.081 0.000 0.951 351 D HN 0.573 nan 8.370 nan 0.000 0.500 352 G N 0.130 108.757 108.800 -0.288 0.000 2.692 352 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.686 352 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.686 352 G C -2.108 172.608 174.900 -0.305 0.000 1.243 352 G CA -0.515 44.347 45.100 -0.397 0.000 0.782 352 G HN -0.113 nan 8.290 nan 0.000 0.625 353 P HA 0.023 nan 4.420 nan 0.000 0.226 353 P C 1.575 178.962 177.300 0.146 0.000 1.153 353 P CA 1.839 64.819 63.100 -0.199 0.000 0.777 353 P CB 0.160 31.824 31.700 -0.061 0.000 0.794 354 A N 0.085 122.936 122.820 0.051 0.000 2.218 354 A HA 0.124 4.444 4.320 -0.000 0.000 0.209 354 A C 1.249 178.892 177.584 0.099 0.000 1.168 354 A CA 0.131 52.218 52.037 0.084 0.000 0.804 354 A CB -0.844 18.172 19.000 0.027 0.000 0.834 354 A HN 0.334 nan 8.150 nan 0.000 0.482 355 S N -0.243 115.523 115.700 0.110 0.000 2.579 355 S HA 0.203 4.673 4.470 -0.000 0.000 0.275 355 S C 1.313 176.000 174.600 0.146 0.000 1.345 355 S CA 0.337 58.602 58.200 0.108 0.000 1.031 355 S CB 0.721 63.984 63.200 0.106 0.000 0.892 355 S HN 0.656 nan 8.310 nan 0.000 0.529 356 T N -0.333 114.278 114.554 0.095 0.000 2.833 356 T HA -0.115 4.234 4.350 -0.000 0.000 0.269 356 T C 1.889 176.642 174.700 0.089 0.000 1.054 356 T CA 1.066 63.212 62.100 0.076 0.000 1.135 356 T CB -0.923 67.970 68.868 0.042 0.000 0.869 356 T HN 0.875 nan 8.240 nan 0.000 0.466 357 A N 0.914 123.804 122.820 0.115 0.000 1.873 357 A HA 0.135 4.455 4.320 -0.000 0.000 0.215 357 A C 2.075 179.798 177.584 0.232 0.000 1.186 357 A CA 1.345 53.461 52.037 0.132 0.000 0.616 357 A CB -1.159 17.924 19.000 0.138 0.000 0.823 357 A HN 0.555 nan 8.150 nan 0.000 0.442 358 F N 0.587 120.622 119.950 0.142 0.000 2.146 358 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 358 F C 2.496 178.397 175.800 0.168 0.000 1.096 358 F CA 2.112 60.227 58.000 0.190 0.000 1.275 358 F CB -0.215 38.899 39.000 0.190 0.000 1.008 358 F HN 0.287 nan 8.300 nan 0.000 0.480 359 Q N 0.080 119.934 119.800 0.091 0.000 2.084 359 Q HA -0.270 4.069 4.340 -0.000 0.000 0.202 359 Q C 2.219 178.176 176.000 -0.072 0.000 0.978 359 Q CA 1.992 57.775 55.803 -0.034 0.000 0.844 359 Q CB -0.368 28.402 28.738 0.053 0.000 0.898 359 Q HN 0.585 nan 8.270 nan 0.000 0.426 360 E N -0.103 120.080 120.200 -0.028 0.000 2.077 360 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 360 E C 1.905 178.461 176.600 -0.073 0.000 0.989 360 E CA 0.861 57.231 56.400 -0.051 0.000 0.800 360 E CB 0.052 29.716 29.700 -0.061 0.000 0.746 360 E HN 0.445 nan 8.360 nan 0.000 0.452 361 H N -0.304 118.709 119.070 -0.096 0.000 2.352 361 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 361 H C 2.229 177.465 175.328 -0.154 0.000 1.097 361 H CA 1.610 57.599 56.048 -0.098 0.000 1.311 361 H CB 0.079 29.793 29.762 -0.080 0.000 1.377 361 H HN 0.125 nan 8.280 nan 0.000 0.504 362 V N 0.868 120.669 119.914 -0.189 0.000 2.453 362 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 362 V C 2.642 178.698 176.094 -0.064 0.000 1.048 362 V CA 1.715 63.898 62.300 -0.195 0.000 1.049 362 V CB -0.565 31.060 31.823 -0.330 0.000 0.672 362 V HN 0.521 nan 8.190 nan 0.000 0.457 363 S N 0.185 115.855 115.700 -0.049 0.000 2.474 363 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 363 S C 1.819 176.442 174.600 0.037 0.000 0.997 363 S CA 0.763 58.959 58.200 -0.006 0.000 0.949 363 S CB -0.274 62.919 63.200 -0.011 0.000 0.766 363 S HN 0.476 nan 8.310 nan 0.000 0.517 364 R N 0.417 120.952 120.500 0.058 0.000 2.334 364 R HA 0.422 4.762 4.340 -0.000 0.000 0.216 364 R C 1.663 178.095 176.300 0.219 0.000 0.905 364 R CA 0.035 56.208 56.100 0.121 0.000 1.064 364 R CB -0.636 29.732 30.300 0.114 0.000 1.046 364 R HN 0.525 nan 8.270 nan 0.000 0.508 365 I N 1.431 122.106 120.570 0.175 0.000 2.179 365 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 365 I C -0.727 175.565 176.117 0.291 0.000 1.088 365 I CA 1.289 62.721 61.300 0.220 0.000 1.357 365 I CB -1.097 36.981 38.000 0.130 0.000 1.051 365 I HN -0.004 nan 8.210 nan 0.000 0.409 366 P HA -0.125 nan 4.420 nan 0.000 0.220 366 P C 0.761 178.239 177.300 0.297 0.000 1.148 366 P CA 1.306 64.630 63.100 0.372 0.000 0.803 366 P CB -0.083 31.819 31.700 0.337 0.000 0.782 367 D N -2.041 118.485 120.400 0.209 0.000 2.190 367 D HA -0.182 4.457 4.640 -0.000 0.000 0.200 367 D C 1.027 177.346 176.300 0.031 0.000 0.992 367 D CA 1.288 55.338 54.000 0.083 0.000 0.854 367 D CB -0.624 40.158 40.800 -0.030 0.000 0.936 367 D HN 0.339 nan 8.370 nan 0.000 0.462 368 Y N -0.578 119.827 120.300 0.175 0.000 2.458 368 Y HA 0.311 4.861 4.550 -0.000 0.000 0.256 368 Y C 0.157 176.144 175.900 0.144 0.000 1.159 368 Y CA -0.258 57.931 58.100 0.150 0.000 1.261 368 Y CB 0.535 39.058 38.460 0.106 0.000 1.119 368 Y HN -0.162 nan 8.280 nan 0.000 0.524 369 L N 0.463 121.862 121.223 0.294 0.000 2.313 369 L HA 0.296 4.636 4.340 -0.000 0.000 0.283 369 L C -0.911 176.069 176.870 0.183 0.000 1.013 369 L CA -0.460 54.476 54.840 0.160 0.000 0.816 369 L CB 1.455 43.558 42.059 0.074 0.000 1.236 369 L HN 0.176 nan 8.230 nan 0.000 0.419 370 W N 5.435 126.631 121.300 -0.173 0.000 2.739 370 W HA 0.403 5.063 4.660 -0.000 0.000 0.331 370 W C -1.407 174.697 176.519 -0.692 0.000 1.049 370 W CA -0.957 56.258 57.345 -0.217 0.000 1.234 370 W CB 2.140 31.571 29.460 -0.049 0.000 1.404 370 W HN 0.306 nan 8.180 nan 0.000 0.477 371 M N 5.276 123.626 119.600 -2.084 0.000 2.108 371 M HA 0.245 4.725 4.480 -0.000 0.000 0.347 371 M C 0.563 176.081 176.300 -1.303 0.000 1.326 371 M CA 0.200 54.374 55.300 -1.878 0.000 1.126 371 M CB 0.109 31.098 32.600 -2.686 0.000 1.606 371 M HN 0.579 nan 8.290 nan 0.000 0.462 372 G N 2.848 111.336 108.800 -0.519 0.000 2.753 372 G HA2 0.586 4.546 3.960 -0.000 0.000 0.285 372 G HA3 0.586 4.546 3.960 -0.000 0.000 0.285 372 G C 0.850 175.659 174.900 -0.152 0.000 1.344 372 G CA -0.734 44.316 45.100 -0.083 0.000 1.050 372 G HN 0.712 nan 8.290 nan 0.000 0.532 373 L N -0.129 121.071 121.223 -0.038 0.000 2.191 373 L HA -0.019 4.320 4.340 -0.000 0.000 0.212 373 L C 1.501 178.365 176.870 -0.010 0.000 1.103 373 L CA 1.541 56.360 54.840 -0.034 0.000 0.769 373 L CB -0.294 41.761 42.059 -0.006 0.000 0.908 373 L HN 0.608 nan 8.230 nan 0.000 0.438 374 D N -1.378 119.045 120.400 0.038 0.000 2.462 374 D HA 0.367 5.006 4.640 -0.000 0.000 0.221 374 D C 0.799 177.166 176.300 0.111 0.000 1.173 374 D CA 0.420 54.477 54.000 0.094 0.000 0.831 374 D CB 0.551 41.449 40.800 0.164 0.000 1.001 374 D HN 0.240 nan 8.370 nan 0.000 0.499 375 G N 0.311 109.086 108.800 -0.041 0.000 2.362 375 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.517 375 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.517 375 G C -1.202 173.507 174.900 -0.318 0.000 1.256 375 G CA -0.545 44.469 45.100 -0.144 0.000 1.027 375 G HN 0.330 nan 8.290 nan 0.000 0.491 376 M N 1.353 120.724 119.600 -0.380 0.000 2.108 376 M HA 0.593 5.072 4.480 -0.000 0.000 0.354 376 M C 0.384 176.377 176.300 -0.512 0.000 1.229 376 M CA -0.576 54.408 55.300 -0.527 0.000 1.081 376 M CB 0.462 32.722 32.600 -0.565 0.000 1.606 376 M HN 0.699 nan 8.290 nan 0.000 0.467 377 K N 4.514 124.553 120.400 -0.601 0.000 2.352 377 K HA 0.582 4.902 4.320 -0.000 0.000 0.240 377 K C -1.451 174.978 176.600 -0.286 0.000 1.017 377 K CA -1.051 54.815 56.287 -0.700 0.000 0.851 377 K CB 2.077 33.878 32.500 -1.164 0.000 1.261 377 K HN 0.788 nan 8.250 nan 0.000 0.451 378 M N 2.431 121.909 119.600 -0.204 0.000 2.157 378 M HA 0.128 4.608 4.480 -0.000 0.000 0.354 378 M C -0.417 175.866 176.300 -0.028 0.000 1.170 378 M CA -0.503 54.765 55.300 -0.053 0.000 1.060 378 M CB 1.385 33.947 32.600 -0.064 0.000 1.615 378 M HN 0.523 nan 8.290 nan 0.000 0.460 379 Q N 2.398 122.261 119.800 0.106 0.000 2.454 379 Q HA 0.141 4.481 4.340 -0.000 0.000 0.247 379 Q C 0.968 177.030 176.000 0.105 0.000 1.028 379 Q CA 0.478 56.347 55.803 0.110 0.000 0.910 379 Q CB 0.714 29.587 28.738 0.226 0.000 1.276 379 Q HN 1.039 nan 8.270 nan 0.000 0.489 380 G N 0.294 109.078 108.800 -0.027 0.000 2.650 380 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.214 380 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.214 380 G C 0.460 175.444 174.900 0.140 0.000 1.136 380 G CA 1.033 46.066 45.100 -0.111 0.000 0.789 380 G HN 0.645 nan 8.290 nan 0.000 0.536 381 T N -3.074 111.715 114.554 0.392 0.000 2.647 381 T HA 0.236 4.586 4.350 -0.000 0.000 0.295 381 T C 0.538 175.366 174.700 0.212 0.000 1.126 381 T CA -0.194 62.143 62.100 0.394 0.000 1.040 381 T CB 0.987 70.055 68.868 0.333 0.000 1.472 381 T HN -0.018 nan 8.240 nan 0.000 0.500 382 N N 0.511 119.116 118.700 -0.157 0.000 2.501 382 N HA 0.349 5.089 4.740 -0.000 0.000 0.195 382 N C 0.776 176.212 175.510 -0.122 0.000 1.213 382 N CA 0.519 53.271 53.050 -0.498 0.000 0.864 382 N CB -0.220 37.880 38.487 -0.645 0.000 0.999 382 N HN 1.341 nan 8.380 nan 0.000 0.454 383 G N -0.803 108.005 108.800 0.013 0.000 2.351 383 G HA2 0.067 4.026 3.960 -0.000 0.000 0.353 383 G HA3 0.067 4.026 3.960 -0.000 0.000 0.353 383 G C -0.825 173.967 174.900 -0.180 0.000 1.358 383 G CA -0.182 44.892 45.100 -0.043 0.000 0.995 383 G HN 0.350 nan 8.290 nan 0.000 0.611 384 S N -0.848 114.625 115.700 -0.379 0.000 2.624 384 S HA 0.306 4.776 4.470 -0.000 0.000 0.246 384 S C 1.275 175.661 174.600 -0.357 0.000 1.072 384 S CA 0.257 58.021 58.200 -0.726 0.000 1.045 384 S CB 1.040 63.783 63.200 -0.762 0.000 0.851 384 S HN 0.610 nan 8.310 nan 0.000 0.480 385 Q N 1.901 121.602 119.800 -0.166 0.000 2.014 385 Q HA -0.005 4.335 4.340 -0.000 0.000 0.207 385 Q C 1.756 177.824 176.000 0.113 0.000 0.993 385 Q CA 2.184 57.993 55.803 0.011 0.000 0.850 385 Q CB -0.618 28.033 28.738 -0.145 0.000 0.916 385 Q HN 0.623 nan 8.270 nan 0.000 0.417 386 I N -0.481 120.174 120.570 0.142 0.000 2.179 386 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 386 I C 2.188 178.318 176.117 0.021 0.000 1.088 386 I CA 1.020 62.440 61.300 0.201 0.000 1.357 386 I CB -0.447 37.645 38.000 0.153 0.000 1.051 386 I HN 0.452 nan 8.210 nan 0.000 0.409 387 W N 2.498 123.575 121.300 -0.372 0.000 2.317 387 W HA -0.272 4.388 4.660 -0.000 0.000 0.318 387 W C 2.024 178.379 176.519 -0.274 0.000 1.227 387 W CA 1.929 58.995 57.345 -0.465 0.000 1.269 387 W CB -0.280 28.679 29.460 -0.835 0.000 1.155 387 W HN 0.210 nan 8.180 nan 0.000 0.484 388 D N -0.351 120.081 120.400 0.055 0.000 2.117 388 D HA -0.142 4.497 4.640 -0.000 0.000 0.198 388 D C 2.130 178.470 176.300 0.067 0.000 0.982 388 D CA 2.242 56.328 54.000 0.144 0.000 0.828 388 D CB -0.682 40.263 40.800 0.241 0.000 0.967 388 D HN 0.123 nan 8.370 nan 0.000 0.464 389 T N 0.584 115.212 114.554 0.124 0.000 2.857 389 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 389 T C 2.014 176.739 174.700 0.042 0.000 1.048 389 T CA 1.215 63.444 62.100 0.215 0.000 1.139 389 T CB -0.143 68.928 68.868 0.339 0.000 0.874 389 T HN 0.167 nan 8.240 nan 0.000 0.455 390 A N 1.118 123.888 122.820 -0.083 0.000 1.898 390 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 390 A C 1.938 179.412 177.584 -0.183 0.000 1.181 390 A CA 1.154 53.073 52.037 -0.197 0.000 0.620 390 A CB -0.828 17.972 19.000 -0.334 0.000 0.819 390 A HN 0.386 nan 8.150 nan 0.000 0.442 391 F N 0.186 119.919 119.950 -0.360 0.000 2.146 391 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 391 F C 2.837 178.256 175.800 -0.635 0.000 1.096 391 F CA 0.261 57.983 58.000 -0.463 0.000 1.275 391 F CB -1.138 37.633 39.000 -0.381 0.000 1.008 391 F HN 0.280 nan 8.300 nan 0.000 0.480 392 A N 0.410 123.042 122.820 -0.314 0.000 1.883 392 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 392 A C 2.347 179.622 177.584 -0.515 0.000 1.186 392 A CA 1.753 53.462 52.037 -0.547 0.000 0.624 392 A CB -1.164 17.330 19.000 -0.844 0.000 0.822 392 A HN 0.336 nan 8.150 nan 0.000 0.444 393 I N -0.399 119.969 120.570 -0.337 0.000 2.151 393 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 393 I C 2.865 178.744 176.117 -0.398 0.000 1.080 393 I CA 1.865 63.015 61.300 -0.251 0.000 1.339 393 I CB -0.423 37.501 38.000 -0.127 0.000 1.039 393 I HN 0.460 nan 8.210 nan 0.000 0.409 394 Q N 0.300 119.771 119.800 -0.548 0.000 2.084 394 Q HA -0.205 4.134 4.340 -0.000 0.000 0.202 394 Q C 2.477 177.779 176.000 -1.163 0.000 0.978 394 Q CA 1.745 57.080 55.803 -0.780 0.000 0.844 394 Q CB -0.322 27.897 28.738 -0.865 0.000 0.898 394 Q HN 0.610 nan 8.270 nan 0.000 0.426 395 A N 1.102 123.057 122.820 -1.441 0.000 1.877 395 A HA -0.169 4.150 4.320 -0.000 0.000 0.216 395 A C 2.111 179.335 177.584 -0.599 0.000 1.186 395 A CA 1.151 52.444 52.037 -1.240 0.000 0.620 395 A CB -0.776 17.713 19.000 -0.853 0.000 0.822 395 A HN 0.277 nan 8.150 nan 0.000 0.443 396 L N -0.610 120.338 121.223 -0.458 0.000 2.012 396 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 396 L C 2.625 179.418 176.870 -0.128 0.000 1.073 396 L CA 1.273 55.966 54.840 -0.244 0.000 0.748 396 L CB -0.678 41.261 42.059 -0.200 0.000 0.891 396 L HN 0.387 nan 8.230 nan 0.000 0.431 397 L N -0.636 120.466 121.223 -0.201 0.000 2.046 397 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 397 L C 2.605 179.439 176.870 -0.061 0.000 1.077 397 L CA 1.239 55.980 54.840 -0.165 0.000 0.747 397 L CB -0.583 41.280 42.059 -0.328 0.000 0.896 397 L HN 0.309 nan 8.230 nan 0.000 0.432 398 E N 0.243 120.359 120.200 -0.141 0.000 2.160 398 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 398 E C 1.907 178.570 176.600 0.105 0.000 0.991 398 E CA 1.249 57.656 56.400 0.010 0.000 0.810 398 E CB -0.043 29.698 29.700 0.068 0.000 0.742 398 E HN 0.483 nan 8.360 nan 0.000 0.466 399 A N 0.002 122.860 122.820 0.063 0.000 2.278 399 A HA 0.283 4.603 4.320 -0.000 0.000 0.212 399 A C 1.465 179.172 177.584 0.205 0.000 1.213 399 A CA 0.746 52.857 52.037 0.123 0.000 0.840 399 A CB -0.143 18.887 19.000 0.051 0.000 0.866 399 A HN 0.287 nan 8.150 nan 0.000 0.489 400 G N -1.642 107.317 108.800 0.264 0.000 2.147 400 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 400 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 400 G C 1.142 176.169 174.900 0.212 0.000 1.005 400 G CA 0.503 45.775 45.100 0.288 0.000 0.713 400 G HN 1.235 nan 8.290 nan 0.000 0.515 401 G N 0.518 109.484 108.800 0.276 0.000 2.448 401 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.219 401 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.219 401 G C 1.402 176.478 174.900 0.293 0.000 1.127 401 G CA 1.625 46.931 45.100 0.344 0.000 0.766 401 G HN 1.014 nan 8.290 nan 0.000 0.552 402 H N -0.552 118.515 119.070 -0.005 0.000 2.545 402 H HA 0.023 4.578 4.556 -0.000 0.000 0.282 402 H C 1.126 176.387 175.328 -0.111 0.000 1.020 402 H CA 1.105 57.100 56.048 -0.089 0.000 1.243 402 H CB -0.463 29.173 29.762 -0.210 0.000 1.377 402 H HN 0.423 nan 8.280 nan 0.000 0.581 403 H N 0.766 119.723 119.070 -0.188 0.000 2.551 403 H HA 0.297 4.852 4.556 -0.000 0.000 0.271 403 H C 0.223 175.536 175.328 -0.025 0.000 0.984 403 H CA -0.134 55.831 56.048 -0.138 0.000 1.164 403 H CB 0.780 30.418 29.762 -0.206 0.000 1.437 403 H HN 0.154 nan 8.280 nan 0.000 0.550 404 R N 1.612 122.160 120.500 0.079 0.000 2.246 404 R HA 0.177 4.517 4.340 -0.000 0.000 0.332 404 R C -1.954 174.296 176.300 -0.084 0.000 0.974 404 R CA -1.691 54.377 56.100 -0.053 0.000 0.837 404 R CB 1.288 31.449 30.300 -0.231 0.000 1.145 404 R HN 0.059 nan 8.270 nan 0.000 0.467 405 P HA -0.204 nan 4.420 nan 0.000 0.216 405 P C 1.104 178.349 177.300 -0.092 0.000 1.150 405 P CA 1.074 64.139 63.100 -0.058 0.000 0.837 405 P CB 0.267 31.934 31.700 -0.056 0.000 0.786 406 E N -0.712 119.359 120.200 -0.216 0.000 2.401 406 E HA -0.154 4.195 4.350 -0.000 0.000 0.199 406 E C 0.740 177.320 176.600 -0.032 0.000 1.023 406 E CA 1.135 57.412 56.400 -0.205 0.000 0.859 406 E CB -0.802 28.712 29.700 -0.310 0.000 0.780 406 E HN 0.247 nan 8.360 nan 0.000 0.523 407 F N 1.195 121.167 119.950 0.037 0.000 2.695 407 F HA 0.287 4.813 4.527 -0.000 0.000 0.303 407 F C 2.142 177.969 175.800 0.044 0.000 1.091 407 F CA -0.511 57.516 58.000 0.045 0.000 1.300 407 F CB -0.024 39.013 39.000 0.062 0.000 1.071 407 F HN -0.091 nan 8.300 nan 0.000 0.578 408 S N -0.350 115.457 115.700 0.178 0.000 2.359 408 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 408 S C 2.364 177.024 174.600 0.099 0.000 1.035 408 S CA 1.680 59.953 58.200 0.122 0.000 1.018 408 S CB -0.620 62.605 63.200 0.041 0.000 0.876 408 S HN 0.403 nan 8.310 nan 0.000 0.448 409 S N 0.486 116.230 115.700 0.073 0.000 2.382 409 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 409 S C 2.222 176.846 174.600 0.041 0.000 1.027 409 S CA 1.310 59.537 58.200 0.046 0.000 0.991 409 S CB -0.899 62.316 63.200 0.024 0.000 0.823 409 S HN 0.687 nan 8.310 nan 0.000 0.469 410 C N 1.334 120.670 119.300 0.061 0.000 2.413 410 C HA -0.035 4.425 4.460 -0.000 0.000 0.277 410 C C 2.497 177.525 174.990 0.063 0.000 1.228 410 C CA 1.212 60.243 59.018 0.021 0.000 1.731 410 C CB -1.723 26.057 27.740 0.067 0.000 2.042 410 C HN 0.687 nan 8.230 nan 0.000 0.468 411 L N 0.633 121.928 121.223 0.119 0.000 2.093 411 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 411 L C 2.804 179.751 176.870 0.129 0.000 1.085 411 L CA 1.924 56.843 54.840 0.132 0.000 0.755 411 L CB -0.847 41.289 42.059 0.128 0.000 0.904 411 L HN 0.449 nan 8.230 nan 0.000 0.435 412 Q N 0.323 120.186 119.800 0.106 0.000 2.119 412 Q HA -0.184 4.155 4.340 -0.000 0.000 0.201 412 Q C 2.165 178.240 176.000 0.126 0.000 0.972 412 Q CA 1.531 57.399 55.803 0.108 0.000 0.847 412 Q CB 0.036 28.822 28.738 0.080 0.000 0.903 412 Q HN 0.055 nan 8.270 nan 0.000 0.433 413 K N -0.100 120.344 120.400 0.074 0.000 2.155 413 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 413 K C 1.883 178.536 176.600 0.088 0.000 1.052 413 K CA 1.089 57.407 56.287 0.051 0.000 0.948 413 K CB -0.473 32.002 32.500 -0.042 0.000 0.728 413 K HN 0.324 nan 8.250 nan 0.000 0.448 414 A N 0.729 123.603 122.820 0.090 0.000 1.930 414 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 414 A C 2.154 179.868 177.584 0.217 0.000 1.175 414 A CA 1.471 53.610 52.037 0.171 0.000 0.627 414 A CB -0.724 18.423 19.000 0.245 0.000 0.815 414 A HN 0.391 nan 8.150 nan 0.000 0.443 415 H N -0.167 118.966 119.070 0.105 0.000 2.321 415 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 415 H C 2.039 177.418 175.328 0.085 0.000 1.087 415 H CA 1.958 58.051 56.048 0.075 0.000 1.319 415 H CB -0.165 29.625 29.762 0.046 0.000 1.379 415 H HN 0.693 nan 8.280 nan 0.000 0.501 416 E N -0.326 120.002 120.200 0.214 0.000 2.085 416 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 416 E C 2.248 178.894 176.600 0.078 0.000 0.994 416 E CA 1.027 57.512 56.400 0.143 0.000 0.801 416 E CB -0.357 29.430 29.700 0.145 0.000 0.743 416 E HN 0.442 nan 8.360 nan 0.000 0.453 417 F N 1.183 121.139 119.950 0.010 0.000 2.095 417 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 417 F C 1.959 177.766 175.800 0.012 0.000 1.104 417 F CA 1.439 59.445 58.000 0.009 0.000 1.232 417 F CB -0.077 38.939 39.000 0.027 0.000 0.987 417 F HN 0.001 nan 8.300 nan 0.000 0.475 418 L N 0.014 121.157 121.223 -0.135 0.000 2.027 418 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 418 L C 2.671 179.485 176.870 -0.094 0.000 1.074 418 L CA 1.664 56.407 54.840 -0.160 0.000 0.745 418 L CB -0.798 41.177 42.059 -0.139 0.000 0.898 418 L HN 0.137 nan 8.230 nan 0.000 0.433 419 R N 0.919 121.314 120.500 -0.175 0.000 2.096 419 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 419 R C 2.182 178.408 176.300 -0.124 0.000 1.139 419 R CA 1.615 57.641 56.100 -0.124 0.000 0.952 419 R CB -0.308 29.936 30.300 -0.093 0.000 0.854 419 R HN 0.304 nan 8.270 nan 0.000 0.436 420 L N 0.234 121.364 121.223 -0.155 0.000 2.465 420 L HA 0.003 4.342 4.340 -0.000 0.000 0.224 420 L C 1.694 178.412 176.870 -0.254 0.000 1.145 420 L CA 0.588 55.325 54.840 -0.171 0.000 0.834 420 L CB 0.116 42.100 42.059 -0.124 0.000 0.944 420 L HN 0.198 nan 8.230 nan 0.000 0.451 421 S N -1.706 113.789 115.700 -0.342 0.000 2.517 421 S HA -0.005 4.464 4.470 -0.000 0.000 0.214 421 S C 0.805 175.212 174.600 -0.321 0.000 0.991 421 S CA -0.190 57.798 58.200 -0.354 0.000 0.906 421 S CB 0.075 62.940 63.200 -0.558 0.000 0.789 421 S HN 0.369 nan 8.310 nan 0.000 0.513 422 Q N 2.098 121.645 119.800 -0.423 0.000 2.330 422 Q HA 0.108 4.447 4.340 -0.000 0.000 0.279 422 Q C -0.776 174.898 176.000 -0.543 0.000 1.024 422 Q CA 0.106 55.379 55.803 -0.884 0.000 0.900 422 Q CB 0.542 28.832 28.738 -0.746 0.000 1.221 422 Q HN 0.062 nan 8.270 nan 0.000 0.396 423 V N 7.978 127.561 119.914 -0.552 0.000 2.439 423 V HA 0.062 4.182 4.120 -0.000 0.000 0.271 423 V C -1.446 174.472 176.094 -0.292 0.000 1.040 423 V CA -0.897 61.199 62.300 -0.342 0.000 1.002 423 V CB 0.917 32.567 31.823 -0.288 0.000 1.000 423 V HN 0.884 nan 8.190 nan 0.000 0.477 424 P HA 0.062 nan 4.420 nan 0.000 0.231 424 P C -0.219 176.981 177.300 -0.166 0.000 1.168 424 P CA 0.745 63.736 63.100 -0.181 0.000 0.779 424 P CB 0.319 31.932 31.700 -0.145 0.000 0.844 425 D N -2.470 117.817 120.400 -0.187 0.000 2.665 425 D HA 0.193 4.833 4.640 -0.000 0.000 0.287 425 D C -0.903 175.245 176.300 -0.253 0.000 1.266 425 D CA -0.799 53.089 54.000 -0.186 0.000 0.830 425 D CB -0.341 40.371 40.800 -0.147 0.000 1.356 425 D HN -0.325 nan 8.370 nan 0.000 0.437 426 N N 0.120 118.658 118.700 -0.270 0.000 2.473 426 N HA 0.469 5.209 4.740 -0.000 0.000 0.291 426 N C -2.402 172.903 175.510 -0.342 0.000 1.083 426 N CA -1.085 51.714 53.050 -0.418 0.000 0.951 426 N CB 0.928 39.141 38.487 -0.458 0.000 1.164 426 N HN 0.274 nan 8.380 nan 0.000 0.480 427 P HA 0.214 nan 4.420 nan 0.000 0.272 427 P C -2.538 174.629 177.300 -0.220 0.000 1.223 427 P CA -1.007 61.775 63.100 -0.530 0.000 0.784 427 P CB -0.310 30.549 31.700 -1.402 0.000 0.923 428 P HA -0.015 nan 4.420 nan 0.000 0.271 428 P C -0.192 177.199 177.300 0.151 0.000 1.220 428 P CA 0.539 63.672 63.100 0.056 0.000 0.768 428 P CB 0.134 31.880 31.700 0.076 0.000 0.848 429 D N 1.011 121.477 120.400 0.110 0.000 2.837 429 D HA -0.237 4.403 4.640 -0.000 0.000 0.230 429 D C 0.981 177.377 176.300 0.159 0.000 1.152 429 D CA 0.931 54.986 54.000 0.092 0.000 0.736 429 D CB -1.601 39.307 40.800 0.181 0.000 1.084 429 D HN 0.640 nan 8.370 nan 0.000 0.429 430 Y N -0.329 119.976 120.300 0.009 0.000 2.224 430 Y HA -0.183 4.366 4.550 -0.000 0.000 0.289 430 Y C 2.299 178.228 175.900 0.049 0.000 1.146 430 Y CA 1.611 59.690 58.100 -0.034 0.000 1.182 430 Y CB -0.670 37.620 38.460 -0.284 0.000 0.983 430 Y HN 0.019 nan 8.280 nan 0.000 0.524 431 Q N 1.226 120.655 119.800 -0.619 0.000 2.124 431 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 431 Q C 2.219 178.117 176.000 -0.171 0.000 0.977 431 Q CA 1.899 57.476 55.803 -0.378 0.000 0.850 431 Q CB -0.235 28.231 28.738 -0.454 0.000 0.901 431 Q HN 0.638 nan 8.270 nan 0.000 0.429 432 K N -0.241 119.982 120.400 -0.294 0.000 2.209 432 K HA -0.156 4.163 4.320 -0.000 0.000 0.204 432 K C 0.451 176.549 176.600 -0.837 0.000 1.048 432 K CA 1.073 57.068 56.287 -0.485 0.000 0.940 432 K CB 0.100 32.204 32.500 -0.659 0.000 0.729 432 K HN 0.261 nan 8.250 nan 0.000 0.451 433 Y N -0.868 119.260 120.300 -0.287 0.000 2.524 433 Y HA 0.114 4.664 4.550 -0.000 0.000 0.266 433 Y C -0.600 175.160 175.900 -0.234 0.000 1.180 433 Y CA -0.470 57.341 58.100 -0.483 0.000 1.244 433 Y CB 0.189 38.494 38.460 -0.259 0.000 1.125 433 Y HN 0.056 nan 8.280 nan 0.000 0.524 434 Y N -2.306 118.146 120.300 0.254 0.000 4.879 434 Y HA -0.271 4.279 4.550 -0.000 0.000 0.247 434 Y C 0.575 176.608 175.900 0.221 0.000 0.985 434 Y CA -0.854 57.382 58.100 0.226 0.000 2.000 434 Y CB -2.146 36.469 38.460 0.259 0.000 1.519 434 Y HN 0.042 nan 8.280 nan 0.000 0.613 435 R N 1.477 122.168 120.500 0.318 0.000 2.641 435 R HA 0.315 4.655 4.340 -0.000 0.000 0.269 435 R C 0.668 177.125 176.300 0.261 0.000 1.074 435 R CA -0.506 55.700 56.100 0.177 0.000 1.133 435 R CB 0.612 30.916 30.300 0.006 0.000 1.029 435 R HN 0.317 nan 8.270 nan 0.000 0.488 436 Q N 1.559 121.446 119.800 0.145 0.000 2.299 436 Q HA 0.158 4.498 4.340 -0.000 0.000 0.246 436 Q C -0.136 175.842 176.000 -0.036 0.000 0.935 436 Q CA -0.104 55.783 55.803 0.140 0.000 0.887 436 Q CB 0.934 29.762 28.738 0.151 0.000 1.223 436 Q HN 0.556 nan 8.270 nan 0.000 0.439 437 M N 4.446 124.032 119.600 -0.024 0.000 2.248 437 M HA 0.061 4.541 4.480 -0.000 0.000 0.345 437 M C 0.068 176.215 176.300 -0.255 0.000 1.243 437 M CA 0.873 55.986 55.300 -0.311 0.000 1.090 437 M CB 0.353 32.898 32.600 -0.091 0.000 1.683 437 M HN 0.881 nan 8.290 nan 0.000 0.450 438 R N 3.110 123.389 120.500 -0.369 0.000 2.544 438 R HA 0.259 4.598 4.340 -0.000 0.000 0.303 438 R C -0.095 176.057 176.300 -0.247 0.000 0.939 438 R CA -0.505 55.441 56.100 -0.256 0.000 1.102 438 R CB 0.018 30.152 30.300 -0.277 0.000 1.440 438 R HN 0.630 nan 8.270 nan 0.000 0.532 439 K N 1.663 121.904 120.400 -0.265 0.000 2.453 439 K HA 0.055 4.375 4.320 -0.000 0.000 0.280 439 K C 0.336 176.815 176.600 -0.202 0.000 1.045 439 K CA 1.627 57.778 56.287 -0.227 0.000 1.059 439 K CB 0.178 32.561 32.500 -0.195 0.000 0.901 439 K HN 0.498 nan 8.250 nan 0.000 0.475 440 G N 2.557 111.212 108.800 -0.242 0.000 2.195 440 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.246 440 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.246 440 G C 0.365 175.080 174.900 -0.308 0.000 0.984 440 G CA -0.086 44.861 45.100 -0.256 0.000 0.633 440 G HN 0.941 nan 8.290 nan 0.000 0.525 441 G N -0.828 107.803 108.800 -0.283 0.000 2.535 441 G HA2 0.676 4.636 3.960 -0.000 0.000 0.303 441 G HA3 0.676 4.636 3.960 -0.000 0.000 0.303 441 G C -0.679 174.000 174.900 -0.369 0.000 1.237 441 G CA -0.915 44.075 45.100 -0.185 0.000 0.986 441 G HN 0.375 nan 8.290 nan 0.000 0.494 442 F N -0.315 119.600 119.950 -0.059 0.000 2.551 442 F HA 0.470 4.997 4.527 -0.000 0.000 0.316 442 F C 0.807 176.611 175.800 0.007 0.000 1.089 442 F CA -0.756 57.217 58.000 -0.045 0.000 0.915 442 F CB 2.503 41.469 39.000 -0.056 0.000 1.186 442 F HN 0.590 nan 8.300 nan 0.000 0.456 443 S N 1.841 117.670 115.700 0.214 0.000 2.681 443 S HA 0.294 4.764 4.470 -0.000 0.000 0.270 443 S C 0.583 175.336 174.600 0.255 0.000 1.209 443 S CA -0.480 57.854 58.200 0.224 0.000 0.988 443 S CB 0.737 64.071 63.200 0.223 0.000 1.006 443 S HN 0.688 nan 8.310 nan 0.000 0.558 444 F N 1.162 121.164 119.950 0.088 0.000 2.293 444 F HA 0.022 4.549 4.527 -0.000 0.000 0.297 444 F C 2.079 177.928 175.800 0.082 0.000 1.089 444 F CA 1.512 59.550 58.000 0.063 0.000 1.377 444 F CB -0.166 38.800 39.000 -0.057 0.000 1.051 444 F HN 0.773 nan 8.300 nan 0.000 0.511 445 S N -1.106 114.717 115.700 0.205 0.000 2.885 445 S HA 0.274 4.744 4.470 -0.000 0.000 0.172 445 S C 0.728 175.376 174.600 0.080 0.000 0.703 445 S CA 0.374 58.621 58.200 0.080 0.000 0.820 445 S CB -0.343 62.944 63.200 0.146 0.000 0.766 445 S HN 0.315 nan 8.310 nan 0.000 0.605 446 T N -1.344 113.261 114.554 0.084 0.000 2.887 446 T HA 0.628 4.978 4.350 -0.000 0.000 0.292 446 T C 0.632 175.349 174.700 0.028 0.000 1.087 446 T CA -0.464 61.668 62.100 0.054 0.000 1.009 446 T CB 1.356 70.237 68.868 0.022 0.000 1.203 446 T HN 0.238 nan 8.240 nan 0.000 0.518 447 L N 0.845 122.047 121.223 -0.035 0.000 2.042 447 L HA 0.031 4.370 4.340 -0.000 0.000 0.210 447 L C 1.858 178.710 176.870 -0.030 0.000 1.076 447 L CA 2.118 56.917 54.840 -0.068 0.000 0.749 447 L CB -1.238 40.748 42.059 -0.122 0.000 0.893 447 L HN 0.763 nan 8.230 nan 0.000 0.432 448 D N -0.996 119.396 120.400 -0.014 0.000 2.149 448 D HA -0.237 4.403 4.640 -0.000 0.000 0.198 448 D C 2.414 178.742 176.300 0.046 0.000 0.990 448 D CA 1.448 55.450 54.000 0.004 0.000 0.839 448 D CB -0.641 40.160 40.800 0.002 0.000 0.948 448 D HN 0.599 nan 8.370 nan 0.000 0.460 449 C N -0.002 119.347 119.300 0.082 0.000 2.436 449 C HA 0.048 4.508 4.460 -0.000 0.000 0.277 449 C C 2.266 177.382 174.990 0.211 0.000 1.241 449 C CA 1.881 61.004 59.018 0.174 0.000 1.721 449 C CB -1.028 26.829 27.740 0.195 0.000 2.043 449 C HN 0.571 nan 8.230 nan 0.000 0.472 450 G N -1.558 107.325 108.800 0.139 0.000 2.189 450 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.267 450 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.267 450 G C -0.125 174.824 174.900 0.081 0.000 0.975 450 G CA 0.436 45.565 45.100 0.049 0.000 0.644 450 G HN 0.687 nan 8.290 nan 0.000 0.537 451 W N 1.563 122.916 121.300 0.088 0.000 2.507 451 W HA 0.585 5.245 4.660 -0.000 0.000 0.334 451 W C 1.065 177.699 176.519 0.193 0.000 1.165 451 W CA -0.678 56.763 57.345 0.161 0.000 1.460 451 W CB -0.004 29.585 29.460 0.215 0.000 1.404 451 W HN 0.379 nan 8.180 nan 0.000 0.435 452 I N 2.473 123.214 120.570 0.284 0.000 2.882 452 I HA 0.557 4.727 4.170 -0.000 0.000 0.286 452 I C -0.175 176.010 176.117 0.113 0.000 1.139 452 I CA -0.804 60.594 61.300 0.164 0.000 1.379 452 I CB 0.221 38.250 38.000 0.049 0.000 1.410 452 I HN 0.054 nan 8.210 nan 0.000 0.594 453 V N 3.498 123.405 119.914 -0.011 0.000 2.876 453 V HA 0.414 4.534 4.120 -0.000 0.000 0.312 453 V C 1.045 177.119 176.094 -0.033 0.000 1.085 453 V CA 0.034 62.227 62.300 -0.179 0.000 0.945 453 V CB 1.243 32.834 31.823 -0.387 0.000 1.017 453 V HN 1.047 nan 8.190 nan 0.000 0.428 454 S N 1.774 117.463 115.700 -0.018 0.000 2.348 454 S HA -0.213 4.257 4.470 -0.000 0.000 0.221 454 S C 1.388 175.971 174.600 -0.029 0.000 1.033 454 S CA 1.874 60.075 58.200 0.003 0.000 1.010 454 S CB -0.515 62.726 63.200 0.068 0.000 0.891 454 S HN 0.979 nan 8.310 nan 0.000 0.442 455 D N 1.064 121.461 120.400 -0.005 0.000 2.183 455 D HA -0.037 4.603 4.640 -0.000 0.000 0.203 455 D C 1.959 178.321 176.300 0.103 0.000 0.969 455 D CA 0.998 55.030 54.000 0.053 0.000 0.842 455 D CB -1.298 39.575 40.800 0.122 0.000 0.957 455 D HN 0.511 nan 8.370 nan 0.000 0.484 456 C N 0.340 119.731 119.300 0.152 0.000 2.446 456 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 456 C C 2.838 177.831 174.990 0.005 0.000 1.275 456 C CA 1.272 60.374 59.018 0.140 0.000 1.727 456 C CB -1.115 26.758 27.740 0.222 0.000 2.010 456 C HN 0.428 nan 8.230 nan 0.000 0.486 457 T N 1.306 115.906 114.554 0.076 0.000 2.746 457 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 457 T C 2.104 176.789 174.700 -0.026 0.000 1.039 457 T CA 1.749 63.931 62.100 0.137 0.000 1.142 457 T CB -0.384 68.560 68.868 0.127 0.000 0.866 457 T HN 0.649 nan 8.240 nan 0.000 0.444 458 A N 1.734 124.514 122.820 -0.067 0.000 1.873 458 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 458 A C 2.326 179.835 177.584 -0.124 0.000 1.186 458 A CA 1.167 53.144 52.037 -0.099 0.000 0.616 458 A CB -0.342 18.592 19.000 -0.110 0.000 0.823 458 A HN 0.348 nan 8.150 nan 0.000 0.442 459 E N 0.161 120.271 120.200 -0.151 0.000 2.072 459 E HA -0.121 4.228 4.350 -0.000 0.000 0.191 459 E C 2.310 178.734 176.600 -0.293 0.000 0.985 459 E CA 1.236 57.515 56.400 -0.201 0.000 0.801 459 E CB -0.659 28.838 29.700 -0.339 0.000 0.750 459 E HN 0.570 nan 8.360 nan 0.000 0.452 460 A N 1.487 124.039 122.820 -0.447 0.000 1.898 460 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 460 A C 2.243 179.503 177.584 -0.540 0.000 1.181 460 A CA 1.160 52.761 52.037 -0.726 0.000 0.620 460 A CB -0.551 17.420 19.000 -1.715 0.000 0.819 460 A HN 0.225 nan 8.150 nan 0.000 0.442 461 L N -0.140 120.870 121.223 -0.354 0.000 2.017 461 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 461 L C 2.210 179.034 176.870 -0.076 0.000 1.073 461 L CA 2.547 57.317 54.840 -0.117 0.000 0.745 461 L CB -0.703 41.336 42.059 -0.034 0.000 0.894 461 L HN 0.408 nan 8.230 nan 0.000 0.432 462 K N -0.973 119.359 120.400 -0.114 0.000 2.057 462 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 462 K C 2.037 178.513 176.600 -0.207 0.000 1.049 462 K CA 1.366 57.561 56.287 -0.154 0.000 0.931 462 K CB -0.270 32.140 32.500 -0.151 0.000 0.714 462 K HN 0.483 nan 8.250 nan 0.000 0.440 463 A N 0.362 123.063 122.820 -0.198 0.000 1.877 463 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 463 A C 2.248 179.761 177.584 -0.119 0.000 1.186 463 A CA 1.630 53.555 52.037 -0.186 0.000 0.620 463 A CB -0.719 18.162 19.000 -0.198 0.000 0.822 463 A HN 0.155 nan 8.150 nan 0.000 0.443 464 V N 0.206 120.056 119.914 -0.107 0.000 2.343 464 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 464 V C 2.599 178.727 176.094 0.056 0.000 1.051 464 V CA 1.982 64.270 62.300 -0.020 0.000 1.036 464 V CB -0.728 31.058 31.823 -0.062 0.000 0.654 464 V HN 0.570 nan 8.190 nan 0.000 0.451 465 L N -0.901 120.362 121.223 0.067 0.000 1.989 465 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 465 L C 2.438 179.382 176.870 0.124 0.000 1.071 465 L CA 1.681 56.628 54.840 0.177 0.000 0.749 465 L CB -0.639 41.633 42.059 0.354 0.000 0.890 465 L HN 0.290 nan 8.230 nan 0.000 0.431 466 L N -0.604 120.592 121.223 -0.046 0.000 2.012 466 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 466 L C 2.573 179.400 176.870 -0.072 0.000 1.073 466 L CA 1.316 56.100 54.840 -0.094 0.000 0.748 466 L CB -0.467 41.448 42.059 -0.240 0.000 0.891 466 L HN 0.245 nan 8.230 nan 0.000 0.431 467 L N -0.898 120.290 121.223 -0.058 0.000 2.017 467 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 467 L C 2.740 179.551 176.870 -0.098 0.000 1.073 467 L CA 1.392 56.204 54.840 -0.046 0.000 0.745 467 L CB -0.413 41.692 42.059 0.078 0.000 0.894 467 L HN 0.322 nan 8.230 nan 0.000 0.432 468 Q N -0.705 119.017 119.800 -0.130 0.000 2.124 468 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 468 Q C 2.143 178.091 176.000 -0.086 0.000 0.977 468 Q CA 1.672 57.288 55.803 -0.311 0.000 0.850 468 Q CB -0.045 28.459 28.738 -0.390 0.000 0.901 468 Q HN 0.479 nan 8.270 nan 0.000 0.429 469 E N 0.698 120.897 120.200 -0.001 0.000 2.046 469 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 469 E C 1.482 178.096 176.600 0.023 0.000 0.982 469 E CA 0.879 57.300 56.400 0.036 0.000 0.800 469 E CB 0.248 30.001 29.700 0.089 0.000 0.756 469 E HN 0.128 nan 8.360 nan 0.000 0.449 470 K N -0.906 119.485 120.400 -0.015 0.000 2.361 470 K HA 0.106 4.426 4.320 -0.000 0.000 0.196 470 K C -0.070 176.555 176.600 0.041 0.000 1.039 470 K CA 0.106 56.383 56.287 -0.017 0.000 1.001 470 K CB 0.620 32.977 32.500 -0.239 0.000 0.795 470 K HN 0.062 nan 8.250 nan 0.000 0.495 471 C N 2.579 121.885 119.300 0.010 0.000 2.301 471 C HA 0.236 4.695 4.460 -0.000 0.000 0.313 471 C C -1.215 173.785 174.990 0.017 0.000 1.121 471 C CA -1.635 57.407 59.018 0.040 0.000 1.507 471 C CB 0.973 28.735 27.740 0.038 0.000 1.975 471 C HN 0.315 nan 8.230 nan 0.000 0.425 472 P HA -0.163 nan 4.420 nan 0.000 0.218 472 P C 0.749 177.967 177.300 -0.137 0.000 1.149 472 P CA 1.628 64.656 63.100 -0.121 0.000 0.817 472 P CB 0.062 31.595 31.700 -0.277 0.000 0.785 473 H N -1.073 118.027 119.070 0.050 0.000 2.563 473 H HA 0.103 4.658 4.556 -0.000 0.000 0.272 473 H C 0.371 175.716 175.328 0.028 0.000 1.005 473 H CA -0.440 55.630 56.048 0.037 0.000 1.171 473 H CB -0.352 29.433 29.762 0.038 0.000 1.351 473 H HN -0.055 nan 8.280 nan 0.000 0.602 474 V N 2.892 122.861 119.914 0.092 0.000 2.405 474 V HA 0.061 4.181 4.120 -0.000 0.000 0.264 474 V C 0.697 176.837 176.094 0.075 0.000 1.048 474 V CA -0.274 62.034 62.300 0.014 0.000 0.966 474 V CB 0.637 32.345 31.823 -0.191 0.000 1.015 474 V HN 0.398 nan 8.190 nan 0.000 0.477 475 T N 1.524 116.114 114.554 0.059 0.000 2.927 475 T HA 0.608 4.958 4.350 -0.000 0.000 0.281 475 T C -0.023 174.740 174.700 0.105 0.000 0.998 475 T CA -0.533 61.605 62.100 0.064 0.000 1.019 475 T CB 1.313 70.207 68.868 0.043 0.000 1.061 475 T HN 0.598 nan 8.240 nan 0.000 0.518 476 E N 0.435 120.694 120.200 0.099 0.000 2.260 476 E HA -0.173 4.177 4.350 -0.000 0.000 0.204 476 E C -0.355 176.414 176.600 0.281 0.000 1.319 476 E CA 0.452 56.939 56.400 0.145 0.000 0.679 476 E CB -2.217 27.564 29.700 0.134 0.000 1.158 476 E HN 0.776 nan 8.360 nan 0.000 0.376 477 H N 0.122 119.244 119.070 0.087 0.000 2.836 477 H HA 0.148 4.704 4.556 -0.000 0.000 0.368 477 H C 1.095 176.538 175.328 0.193 0.000 1.164 477 H CA -0.173 55.968 56.048 0.156 0.000 1.425 477 H CB 0.626 30.442 29.762 0.090 0.000 1.414 477 H HN 0.228 nan 8.280 nan 0.000 0.614 478 I N 4.387 125.149 120.570 0.320 0.000 2.496 478 I HA 0.058 4.228 4.170 -0.000 0.000 0.285 478 I C -1.826 174.396 176.117 0.176 0.000 1.080 478 I CA -1.840 59.567 61.300 0.178 0.000 1.404 478 I CB 0.874 38.944 38.000 0.115 0.000 1.403 478 I HN 0.323 nan 8.210 nan 0.000 0.539 479 P HA 0.139 nan 4.420 nan 0.000 0.277 479 P C 0.411 177.763 177.300 0.085 0.000 1.240 479 P CA -0.526 62.639 63.100 0.109 0.000 0.798 479 P CB 0.935 32.674 31.700 0.066 0.000 0.979 480 R N 2.215 122.778 120.500 0.105 0.000 2.189 480 R HA -0.274 4.066 4.340 -0.000 0.000 0.252 480 R C 1.915 178.189 176.300 -0.044 0.000 1.134 480 R CA 2.897 59.034 56.100 0.062 0.000 0.954 480 R CB -0.522 29.849 30.300 0.119 0.000 0.890 480 R HN 0.619 nan 8.270 nan 0.000 0.443 481 E N -0.421 119.764 120.200 -0.024 0.000 2.204 481 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 481 E C 1.950 178.508 176.600 -0.071 0.000 0.989 481 E CA 1.004 57.371 56.400 -0.055 0.000 0.824 481 E CB -0.181 29.504 29.700 -0.025 0.000 0.756 481 E HN 0.387 nan 8.360 nan 0.000 0.477 482 R N 0.543 121.013 120.500 -0.049 0.000 2.119 482 R HA 0.076 4.416 4.340 -0.000 0.000 0.222 482 R C 2.368 178.626 176.300 -0.071 0.000 1.088 482 R CA 0.797 56.859 56.100 -0.063 0.000 0.984 482 R CB -0.286 29.986 30.300 -0.046 0.000 0.884 482 R HN 0.274 nan 8.270 nan 0.000 0.447 483 L N -0.063 121.125 121.223 -0.058 0.000 2.027 483 L HA -0.202 4.138 4.340 -0.000 0.000 0.206 483 L C 2.596 179.332 176.870 -0.224 0.000 1.074 483 L CA 1.087 55.880 54.840 -0.078 0.000 0.745 483 L CB -0.622 41.422 42.059 -0.026 0.000 0.898 483 L HN 0.211 nan 8.230 nan 0.000 0.433 484 C N -0.223 118.918 119.300 -0.264 0.000 2.425 484 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 484 C C 2.439 177.305 174.990 -0.207 0.000 1.280 484 C CA 0.407 59.211 59.018 -0.357 0.000 1.744 484 C CB -0.833 26.663 27.740 -0.408 0.000 1.989 484 C HN 0.538 nan 8.230 nan 0.000 0.491 485 D N 1.026 121.336 120.400 -0.150 0.000 2.097 485 D HA -0.088 4.552 4.640 -0.000 0.000 0.195 485 D C 2.331 178.554 176.300 -0.130 0.000 0.989 485 D CA 1.758 55.688 54.000 -0.117 0.000 0.827 485 D CB -0.526 40.205 40.800 -0.116 0.000 0.966 485 D HN 0.480 nan 8.370 nan 0.000 0.456 486 A N 0.596 123.334 122.820 -0.137 0.000 1.883 486 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 486 A C 2.556 180.047 177.584 -0.155 0.000 1.186 486 A CA 1.425 53.400 52.037 -0.103 0.000 0.624 486 A CB -0.837 18.154 19.000 -0.015 0.000 0.822 486 A HN 0.158 nan 8.150 nan 0.000 0.444 487 V N -0.206 119.537 119.914 -0.285 0.000 2.407 487 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 487 V C 3.029 179.027 176.094 -0.161 0.000 1.055 487 V CA 1.938 64.032 62.300 -0.343 0.000 1.049 487 V CB -1.165 30.225 31.823 -0.721 0.000 0.662 487 V HN 0.634 nan 8.190 nan 0.000 0.455 488 A N -0.349 122.407 122.820 -0.107 0.000 1.933 488 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 488 A C 2.395 179.960 177.584 -0.032 0.000 1.175 488 A CA 1.893 53.906 52.037 -0.040 0.000 0.628 488 A CB -0.627 18.359 19.000 -0.025 0.000 0.814 488 A HN 0.332 nan 8.150 nan 0.000 0.444 489 V N 0.223 120.106 119.914 -0.052 0.000 2.287 489 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 489 V C 2.581 178.684 176.094 0.015 0.000 1.053 489 V CA 2.138 64.421 62.300 -0.029 0.000 1.027 489 V CB -0.762 31.033 31.823 -0.047 0.000 0.646 489 V HN 0.583 nan 8.190 nan 0.000 0.447 490 L N -0.919 120.298 121.223 -0.010 0.000 2.027 490 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 490 L C 2.329 179.290 176.870 0.151 0.000 1.074 490 L CA 1.405 56.258 54.840 0.021 0.000 0.745 490 L CB -0.502 41.485 42.059 -0.121 0.000 0.898 490 L HN 0.284 nan 8.230 nan 0.000 0.433 491 L N -0.212 121.057 121.223 0.076 0.000 2.362 491 L HA -0.167 4.173 4.340 -0.000 0.000 0.219 491 L C 2.025 178.950 176.870 0.092 0.000 1.134 491 L CA 0.848 55.749 54.840 0.102 0.000 0.807 491 L CB -0.532 41.548 42.059 0.035 0.000 0.927 491 L HN 0.420 nan 8.230 nan 0.000 0.447 492 N N 0.076 118.824 118.700 0.080 0.000 2.383 492 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 492 N C 1.151 176.712 175.510 0.084 0.000 1.141 492 N CA 0.088 53.176 53.050 0.065 0.000 0.851 492 N CB 0.331 38.848 38.487 0.050 0.000 0.976 492 N HN 0.370 nan 8.380 nan 0.000 0.465 493 M N 0.450 120.137 119.600 0.145 0.000 2.496 493 M HA 0.218 4.697 4.480 -0.000 0.000 0.330 493 M C -0.190 176.080 176.300 -0.049 0.000 1.133 493 M CA -0.325 55.062 55.300 0.145 0.000 0.964 493 M CB 0.785 33.556 32.600 0.284 0.000 1.401 493 M HN -0.123 nan 8.290 nan 0.000 0.520 494 R N 1.319 121.735 120.500 -0.140 0.000 2.738 494 R HA 0.236 4.575 4.340 -0.000 0.000 0.268 494 R C -0.143 175.951 176.300 -0.344 0.000 1.062 494 R CA 0.391 56.221 56.100 -0.449 0.000 1.158 494 R CB 0.418 30.589 30.300 -0.215 0.000 1.046 494 R HN 0.223 nan 8.270 nan 0.000 0.493 495 N N 0.771 119.227 118.700 -0.407 0.000 2.405 495 N HA 0.204 4.943 4.740 -0.000 0.000 0.285 495 N C -2.119 173.283 175.510 -0.180 0.000 1.262 495 N CA -1.476 51.426 53.050 -0.246 0.000 0.773 495 N CB 1.900 40.228 38.487 -0.265 0.000 1.490 495 N HN 0.210 nan 8.380 nan 0.000 0.486 496 P HA -0.111 nan 4.420 nan 0.000 0.218 496 P C 0.572 177.850 177.300 -0.036 0.000 1.148 496 P CA 1.286 64.352 63.100 -0.057 0.000 0.822 496 P CB 0.124 31.805 31.700 -0.031 0.000 0.784 497 D N -1.763 118.618 120.400 -0.031 0.000 2.363 497 D HA 0.031 4.671 4.640 -0.000 0.000 0.226 497 D C 1.477 177.817 176.300 0.067 0.000 1.020 497 D CA 0.891 54.928 54.000 0.062 0.000 0.892 497 D CB -0.936 39.963 40.800 0.165 0.000 0.900 497 D HN 0.227 nan 8.370 nan 0.000 0.531 498 G N -0.908 107.828 108.800 -0.107 0.000 2.199 498 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.254 498 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.254 498 G C 0.625 175.320 174.900 -0.342 0.000 0.982 498 G CA 0.198 45.224 45.100 -0.123 0.000 0.632 498 G HN 0.828 nan 8.290 nan 0.000 0.529 499 G N -0.862 107.481 108.800 -0.762 0.000 2.522 499 G HA2 0.642 4.601 3.960 -0.000 0.000 0.304 499 G HA3 0.642 4.601 3.960 -0.000 0.000 0.304 499 G C -0.714 173.653 174.900 -0.889 0.000 1.210 499 G CA -0.914 43.338 45.100 -1.413 0.000 0.960 499 G HN 0.286 nan 8.290 nan 0.000 0.497 500 F N -0.037 119.645 119.950 -0.447 0.000 2.495 500 F HA 0.622 5.149 4.527 -0.000 0.000 0.327 500 F C 0.832 176.602 175.800 -0.050 0.000 1.103 500 F CA -0.422 57.474 58.000 -0.173 0.000 0.949 500 F CB 2.180 41.126 39.000 -0.090 0.000 1.142 500 F HN 0.659 nan 8.300 nan 0.000 0.457 501 A N 1.377 124.291 122.820 0.158 0.000 2.621 501 A HA 0.560 4.879 4.320 -0.000 0.000 0.267 501 A C 1.058 178.834 177.584 0.320 0.000 1.506 501 A CA 0.465 52.648 52.037 0.244 0.000 0.873 501 A CB -0.167 18.937 19.000 0.173 0.000 1.577 501 A HN 0.788 nan 8.150 nan 0.000 0.536 502 T N -3.038 111.734 114.554 0.362 0.000 3.356 502 T HA 0.058 4.407 4.350 -0.000 0.000 0.220 502 T C 1.517 176.303 174.700 0.142 0.000 0.963 502 T CA 1.539 63.754 62.100 0.193 0.000 1.540 502 T CB -0.759 68.229 68.868 0.201 0.000 1.320 502 T HN 0.439 nan 8.240 nan 0.000 0.448 503 Y N 2.002 122.466 120.300 0.275 0.000 2.420 503 Y HA 0.330 4.879 4.550 -0.000 0.000 0.292 503 Y C 1.998 178.049 175.900 0.251 0.000 1.119 503 Y CA 0.367 58.622 58.100 0.259 0.000 1.229 503 Y CB 0.166 38.797 38.460 0.285 0.000 1.026 503 Y HN 0.485 nan 8.280 nan 0.000 0.554 504 E N -1.409 119.035 120.200 0.407 0.000 4.039 504 E HA 0.335 4.685 4.350 -0.000 0.000 0.144 504 E C -0.476 176.253 176.600 0.214 0.000 1.036 504 E CA -0.230 56.347 56.400 0.295 0.000 0.882 504 E CB 1.032 30.918 29.700 0.310 0.000 1.874 504 E HN -0.039 nan 8.360 nan 0.000 0.392 505 T N -1.226 113.423 114.554 0.158 0.000 2.865 505 T HA 0.418 4.768 4.350 -0.000 0.000 0.294 505 T C -0.717 174.015 174.700 0.053 0.000 1.119 505 T CA -0.952 61.191 62.100 0.072 0.000 1.007 505 T CB 1.559 70.445 68.868 0.030 0.000 1.225 505 T HN 0.267 nan 8.240 nan 0.000 0.515 506 K N 0.876 121.269 120.400 -0.012 0.000 2.167 506 K HA 0.199 4.518 4.320 -0.000 0.000 0.275 506 K C 0.998 177.578 176.600 -0.033 0.000 1.103 506 K CA -0.349 55.908 56.287 -0.050 0.000 0.963 506 K CB 0.066 32.522 32.500 -0.073 0.000 1.243 506 K HN 0.513 nan 8.250 nan 0.000 0.407 507 R N 1.886 122.375 120.500 -0.018 0.000 2.240 507 R HA 0.073 4.413 4.340 -0.000 0.000 0.203 507 R C 0.849 177.131 176.300 -0.030 0.000 1.011 507 R CA 0.380 56.474 56.100 -0.011 0.000 1.007 507 R CB 0.555 30.860 30.300 0.009 0.000 0.911 507 R HN 0.561 nan 8.270 nan 0.000 0.468 508 G N -0.565 108.199 108.800 -0.060 0.000 2.600 508 G HA2 0.535 4.495 3.960 -0.000 0.000 0.303 508 G HA3 0.535 4.495 3.960 -0.000 0.000 0.303 508 G C -0.716 174.156 174.900 -0.047 0.000 1.253 508 G CA -0.616 44.447 45.100 -0.061 0.000 0.974 508 G HN 0.120 nan 8.290 nan 0.000 0.483 509 G N -1.798 106.994 108.800 -0.013 0.000 2.504 509 G HA2 0.372 4.332 3.960 -0.000 0.000 0.288 509 G HA3 0.372 4.332 3.960 -0.000 0.000 0.288 509 G C 0.632 175.579 174.900 0.078 0.000 1.182 509 G CA -0.352 44.783 45.100 0.058 0.000 0.894 509 G HN 0.702 nan 8.290 nan 0.000 0.521 510 H N 0.239 119.308 119.070 -0.003 0.000 2.457 510 H HA -0.086 4.470 4.556 -0.000 0.000 0.297 510 H C 2.348 177.703 175.328 0.045 0.000 1.092 510 H CA 0.821 56.905 56.048 0.060 0.000 1.309 510 H CB 0.245 30.077 29.762 0.117 0.000 1.382 510 H HN 0.244 nan 8.280 nan 0.000 0.535 511 L N 0.719 122.018 121.223 0.127 0.000 2.265 511 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 511 L C 2.248 179.109 176.870 -0.014 0.000 1.117 511 L CA 0.410 55.282 54.840 0.053 0.000 0.782 511 L CB -0.233 41.847 42.059 0.035 0.000 0.914 511 L HN 0.286 nan 8.230 nan 0.000 0.441 512 L N -0.501 120.704 121.223 -0.030 0.000 2.265 512 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 512 L C 2.396 179.225 176.870 -0.069 0.000 1.117 512 L CA 0.625 55.417 54.840 -0.080 0.000 0.782 512 L CB -0.413 41.587 42.059 -0.098 0.000 0.914 512 L HN 0.232 nan 8.230 nan 0.000 0.441 513 E N 0.808 121.002 120.200 -0.010 0.000 2.265 513 E HA -0.164 4.185 4.350 -0.000 0.000 0.196 513 E C 2.117 178.700 176.600 -0.027 0.000 0.996 513 E CA 0.860 57.278 56.400 0.030 0.000 0.832 513 E CB -0.211 29.561 29.700 0.119 0.000 0.756 513 E HN 0.436 nan 8.360 nan 0.000 0.491 514 L N -0.198 120.980 121.223 -0.074 0.000 2.265 514 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 514 L C 1.696 178.431 176.870 -0.225 0.000 1.117 514 L CA 0.675 55.420 54.840 -0.158 0.000 0.782 514 L CB -0.274 41.641 42.059 -0.240 0.000 0.914 514 L HN 0.203 nan 8.230 nan 0.000 0.441 515 L N -0.535 120.560 121.223 -0.213 0.000 2.612 515 L HA 0.040 4.380 4.340 -0.000 0.000 0.230 515 L C 0.718 177.446 176.870 -0.236 0.000 1.140 515 L CA -0.377 54.298 54.840 -0.275 0.000 0.896 515 L CB -0.679 41.211 42.059 -0.282 0.000 1.065 515 L HN 0.205 nan 8.230 nan 0.000 0.447 516 N N 2.737 121.357 118.700 -0.135 0.000 2.429 516 N HA -0.008 4.732 4.740 -0.000 0.000 0.271 516 N C -1.674 173.782 175.510 -0.089 0.000 1.272 516 N CA -1.133 51.887 53.050 -0.049 0.000 0.921 516 N CB 0.809 39.324 38.487 0.046 0.000 1.128 516 N HN 0.006 nan 8.380 nan 0.000 0.481 517 P HA 0.098 nan 4.420 nan 0.000 0.282 517 P C 0.461 177.901 177.300 0.235 0.000 1.327 517 P CA 0.078 63.169 63.100 -0.015 0.000 0.949 517 P CB 0.146 31.898 31.700 0.087 0.000 1.445 518 S N -0.054 115.782 115.700 0.226 0.000 2.481 518 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 518 S C 1.270 175.795 174.600 -0.125 0.000 0.996 518 S CA 0.930 59.209 58.200 0.132 0.000 0.942 518 S CB -0.757 62.557 63.200 0.190 0.000 0.768 518 S HN 0.078 nan 8.310 nan 0.000 0.520 519 E N -0.872 119.329 120.200 0.002 0.000 5.150 519 E HA -0.253 4.097 4.350 -0.000 0.000 0.167 519 E C 1.175 177.676 176.600 -0.165 0.000 1.196 519 E CA 1.615 57.988 56.400 -0.046 0.000 2.189 519 E CB -1.874 27.779 29.700 -0.078 0.000 1.820 519 E HN 0.749 nan 8.360 nan 0.000 0.420 520 V N -2.148 117.483 119.914 -0.471 0.000 3.660 520 V HA 0.366 4.486 4.120 -0.000 0.000 0.276 520 V C 0.482 176.160 176.094 -0.694 0.000 1.317 520 V CA 0.288 62.216 62.300 -0.620 0.000 1.097 520 V CB -0.176 31.078 31.823 -0.948 0.000 0.863 520 V HN 0.122 nan 8.190 nan 0.000 0.438 521 F N 0.934 120.805 119.950 -0.133 0.000 2.575 521 F HA 0.912 5.439 4.527 -0.000 0.000 0.330 521 F C 0.739 176.578 175.800 0.065 0.000 1.056 521 F CA -0.748 57.191 58.000 -0.102 0.000 0.964 521 F CB 1.402 40.358 39.000 -0.074 0.000 1.258 521 F HN 0.061 nan 8.300 nan 0.000 0.484 522 G N -0.628 108.315 108.800 0.239 0.000 2.482 522 G HA2 0.503 4.463 3.960 -0.000 0.000 0.317 522 G HA3 0.503 4.463 3.960 -0.000 0.000 0.317 522 G C -1.327 173.657 174.900 0.141 0.000 1.241 522 G CA -0.751 44.507 45.100 0.263 0.000 0.967 522 G HN 0.667 nan 8.290 nan 0.000 0.482 523 D N -0.362 120.109 120.400 0.118 0.000 2.828 523 D HA -0.193 4.447 4.640 -0.000 0.000 0.241 523 D C 1.141 177.546 176.300 0.174 0.000 1.142 523 D CA 1.319 55.371 54.000 0.087 0.000 0.755 523 D CB -0.919 39.750 40.800 -0.218 0.000 1.014 523 D HN 0.723 nan 8.370 nan 0.000 0.420 524 I N -4.483 116.236 120.570 0.248 0.000 4.227 524 I HA 0.088 4.258 4.170 -0.000 0.000 0.334 524 I C 1.736 178.078 176.117 0.376 0.000 1.341 524 I CA -0.491 61.014 61.300 0.341 0.000 1.123 524 I CB 0.081 38.350 38.000 0.448 0.000 1.097 524 I HN -0.122 nan 8.210 nan 0.000 0.399 525 M N 2.674 122.402 119.600 0.213 0.000 2.236 525 M HA 0.291 4.771 4.480 -0.000 0.000 0.266 525 M C 1.078 177.396 176.300 0.029 0.000 1.070 525 M CA 1.193 56.555 55.300 0.102 0.000 1.137 525 M CB -0.454 32.153 32.600 0.011 0.000 1.378 525 M HN 0.421 nan 8.290 nan 0.000 0.426 526 I N -3.782 116.676 120.570 -0.187 0.000 3.108 526 I HA 0.476 4.646 4.170 -0.000 0.000 0.312 526 I C -0.588 175.313 176.117 -0.360 0.000 1.095 526 I CA -1.078 60.050 61.300 -0.286 0.000 1.000 526 I CB 1.706 39.394 38.000 -0.522 0.000 1.229 526 I HN -0.281 nan 8.210 nan 0.000 0.454 527 D N 2.517 122.835 120.400 -0.137 0.000 2.453 527 D HA 0.255 4.895 4.640 -0.000 0.000 0.223 527 D C -0.579 175.612 176.300 -0.182 0.000 1.183 527 D CA 0.081 54.063 54.000 -0.031 0.000 0.933 527 D CB -0.274 40.714 40.800 0.313 0.000 1.038 527 D HN 0.371 nan 8.370 nan 0.000 0.513 528 Y N 0.845 121.020 120.300 -0.209 0.000 2.459 528 Y HA 0.037 4.587 4.550 -0.000 0.000 0.349 528 Y C 1.803 177.437 175.900 -0.443 0.000 1.266 528 Y CA -0.075 57.793 58.100 -0.388 0.000 1.483 528 Y CB 0.430 38.511 38.460 -0.630 0.000 1.362 528 Y HN 0.175 nan 8.280 nan 0.000 0.628 529 T N -1.023 113.421 114.554 -0.183 0.000 2.909 529 T HA 0.585 4.935 4.350 -0.000 0.000 0.286 529 T C -1.240 173.347 174.700 -0.189 0.000 1.002 529 T CA -0.712 61.274 62.100 -0.190 0.000 1.074 529 T CB 0.674 69.340 68.868 -0.337 0.000 0.984 529 T HN 0.420 nan 8.240 nan 0.000 0.495 530 Y N -0.093 120.381 120.300 0.289 0.000 2.545 530 Y HA 0.503 5.053 4.550 -0.000 0.000 0.348 530 Y C 1.128 177.273 175.900 0.408 0.000 1.002 530 Y CA -1.315 57.012 58.100 0.377 0.000 1.039 530 Y CB 1.855 40.512 38.460 0.329 0.000 1.271 530 Y HN 0.449 nan 8.280 nan 0.000 0.467 531 V N 1.504 121.722 119.914 0.507 0.000 2.407 531 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 531 V C 1.219 177.301 176.094 -0.020 0.000 1.055 531 V CA 2.406 64.860 62.300 0.257 0.000 1.049 531 V CB -0.100 31.718 31.823 -0.007 0.000 0.662 531 V HN 0.933 nan 8.190 nan 0.000 0.455 532 E N -0.426 119.678 120.200 -0.161 0.000 2.047 532 E HA -0.194 4.155 4.350 -0.000 0.000 0.191 532 E C 2.239 178.520 176.600 -0.530 0.000 0.987 532 E CA 1.956 57.847 56.400 -0.849 0.000 0.799 532 E CB -0.638 28.441 29.700 -1.035 0.000 0.752 532 E HN 0.712 nan 8.360 nan 0.000 0.449 533 C N 0.604 119.838 119.300 -0.111 0.000 2.429 533 C HA -0.097 4.362 4.460 -0.000 0.000 0.277 533 C C 2.729 177.722 174.990 0.005 0.000 1.262 533 C CA 1.203 60.214 59.018 -0.012 0.000 1.733 533 C CB -1.120 26.713 27.740 0.156 0.000 2.010 533 C HN 0.502 nan 8.230 nan 0.000 0.483 534 T N 0.499 115.117 114.554 0.106 0.000 2.674 534 T HA -0.203 4.147 4.350 -0.000 0.000 0.265 534 T C 2.055 176.773 174.700 0.029 0.000 1.039 534 T CA 2.015 64.211 62.100 0.160 0.000 1.150 534 T CB -0.533 68.479 68.868 0.241 0.000 0.864 534 T HN 0.611 nan 8.240 nan 0.000 0.427 535 S N 1.058 116.755 115.700 -0.006 0.000 2.359 535 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 535 S C 2.396 176.983 174.600 -0.022 0.000 1.035 535 S CA 1.463 59.647 58.200 -0.028 0.000 1.018 535 S CB -0.639 62.546 63.200 -0.026 0.000 0.876 535 S HN 0.517 nan 8.310 nan 0.000 0.448 536 A N 0.832 123.646 122.820 -0.010 0.000 1.883 536 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 536 A C 2.382 179.917 177.584 -0.082 0.000 1.186 536 A CA 1.952 53.999 52.037 0.016 0.000 0.624 536 A CB -1.178 17.852 19.000 0.050 0.000 0.822 536 A HN 0.476 nan 8.150 nan 0.000 0.444 537 V N -0.139 119.655 119.914 -0.200 0.000 2.343 537 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 537 V C 2.654 178.602 176.094 -0.243 0.000 1.051 537 V CA 2.330 64.412 62.300 -0.363 0.000 1.036 537 V CB -0.743 30.530 31.823 -0.917 0.000 0.654 537 V HN 0.578 nan 8.190 nan 0.000 0.451 538 M N -0.756 118.751 119.600 -0.155 0.000 2.117 538 M HA -0.249 4.231 4.480 -0.000 0.000 0.262 538 M C 2.369 178.665 176.300 -0.007 0.000 1.065 538 M CA 1.936 57.203 55.300 -0.054 0.000 1.114 538 M CB -0.482 32.107 32.600 -0.019 0.000 1.361 538 M HN 0.349 nan 8.290 nan 0.000 0.408 539 Q N 0.027 119.821 119.800 -0.009 0.000 2.084 539 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 539 Q C 2.246 178.298 176.000 0.085 0.000 0.978 539 Q CA 1.675 57.501 55.803 0.039 0.000 0.844 539 Q CB -0.349 28.398 28.738 0.016 0.000 0.898 539 Q HN 0.589 nan 8.270 nan 0.000 0.426 540 A N 0.784 123.626 122.820 0.037 0.000 1.898 540 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 540 A C 2.068 179.745 177.584 0.155 0.000 1.181 540 A CA 0.948 53.028 52.037 0.072 0.000 0.620 540 A CB -0.561 18.429 19.000 -0.016 0.000 0.819 540 A HN 0.267 nan 8.150 nan 0.000 0.442 541 L N -0.918 120.354 121.223 0.082 0.000 2.056 541 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 541 L C 2.587 179.620 176.870 0.271 0.000 1.078 541 L CA 1.791 56.717 54.840 0.142 0.000 0.749 541 L CB -0.389 41.690 42.059 0.033 0.000 0.901 541 L HN 0.374 nan 8.230 nan 0.000 0.433 542 K N -0.192 120.333 120.400 0.210 0.000 2.032 542 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 542 K C 2.145 178.907 176.600 0.270 0.000 1.048 542 K CA 1.695 58.120 56.287 0.229 0.000 0.927 542 K CB -0.455 32.142 32.500 0.162 0.000 0.712 542 K HN 0.159 nan 8.250 nan 0.000 0.441 543 Y N -0.518 119.885 120.300 0.171 0.000 2.200 543 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 543 Y C 1.890 177.932 175.900 0.236 0.000 1.137 543 Y CA 1.838 60.034 58.100 0.160 0.000 1.163 543 Y CB -0.234 38.302 38.460 0.128 0.000 0.988 543 Y HN 0.192 nan 8.280 nan 0.000 0.518 544 F N -0.303 119.828 119.950 0.302 0.000 2.146 544 F HA -0.191 4.335 4.527 -0.000 0.000 0.298 544 F C 2.567 178.573 175.800 0.343 0.000 1.096 544 F CA 2.125 60.318 58.000 0.321 0.000 1.275 544 F CB -0.719 38.410 39.000 0.214 0.000 1.008 544 F HN 0.175 nan 8.300 nan 0.000 0.480 545 H N 1.013 120.253 119.070 0.284 0.000 2.352 545 H HA -0.209 4.347 4.556 -0.000 0.000 0.299 545 H C 2.309 177.627 175.328 -0.017 0.000 1.097 545 H CA 2.459 58.599 56.048 0.153 0.000 1.311 545 H CB -0.471 29.398 29.762 0.178 0.000 1.377 545 H HN 0.417 nan 8.280 nan 0.000 0.504 546 K N 0.254 120.585 120.400 -0.115 0.000 2.063 546 K HA -0.133 4.186 4.320 -0.000 0.000 0.208 546 K C 1.858 178.258 176.600 -0.334 0.000 1.048 546 K CA 1.697 57.822 56.287 -0.271 0.000 0.928 546 K CB 0.019 32.362 32.500 -0.262 0.000 0.713 546 K HN 0.259 nan 8.250 nan 0.000 0.442 547 R N -0.687 119.591 120.500 -0.370 0.000 2.300 547 R HA 0.076 4.415 4.340 -0.000 0.000 0.199 547 R C -0.025 175.737 176.300 -0.896 0.000 0.920 547 R CA 0.382 56.141 56.100 -0.568 0.000 1.046 547 R CB 0.317 30.275 30.300 -0.571 0.000 0.984 547 R HN 0.195 nan 8.270 nan 0.000 0.493 548 F N 0.229 119.893 119.950 -0.476 0.000 2.627 548 F HA 0.316 4.843 4.527 -0.000 0.000 0.344 548 F C -1.838 173.835 175.800 -0.213 0.000 1.505 548 F CA -2.076 55.674 58.000 -0.417 0.000 1.111 548 F CB 1.590 40.115 39.000 -0.792 0.000 1.585 548 F HN -0.186 nan 8.300 nan 0.000 0.582 549 P HA -0.205 nan 4.420 nan 0.000 0.218 549 P C 1.138 178.495 177.300 0.094 0.000 1.146 549 P CA 1.514 64.554 63.100 -0.100 0.000 0.813 549 P CB 0.317 31.918 31.700 -0.166 0.000 0.778 550 E N -2.486 117.785 120.200 0.118 0.000 2.479 550 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 550 E C 0.060 176.784 176.600 0.207 0.000 1.049 550 E CA -0.156 56.329 56.400 0.142 0.000 0.870 550 E CB -0.202 29.556 29.700 0.097 0.000 0.944 550 E HN 0.307 nan 8.360 nan 0.000 0.492 551 H N 0.654 119.847 119.070 0.205 0.000 2.761 551 H HA 0.191 4.747 4.556 -0.000 0.000 0.284 551 H C -0.368 175.119 175.328 0.265 0.000 1.105 551 H CA -0.130 56.065 56.048 0.245 0.000 1.352 551 H CB -0.099 29.855 29.762 0.320 0.000 1.423 551 H HN -0.044 nan 8.280 nan 0.000 0.464 552 R N 3.005 123.339 120.500 -0.276 0.000 3.405 552 R HA -0.280 4.060 4.340 -0.000 0.000 0.258 552 R C 1.153 177.452 176.300 -0.000 0.000 1.030 552 R CA 0.405 56.401 56.100 -0.175 0.000 0.691 552 R CB -1.830 28.303 30.300 -0.278 0.000 1.093 552 R HN 0.718 nan 8.270 nan 0.000 0.448 553 A N 0.766 123.631 122.820 0.075 0.000 1.883 553 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 553 A C 2.404 179.975 177.584 -0.021 0.000 1.186 553 A CA 1.918 54.017 52.037 0.103 0.000 0.624 553 A CB -0.469 18.674 19.000 0.238 0.000 0.822 553 A HN 0.649 nan 8.150 nan 0.000 0.444 554 A N 0.669 123.489 122.820 -0.000 0.000 1.877 554 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 554 A C 2.033 179.598 177.584 -0.032 0.000 1.186 554 A CA 1.831 53.860 52.037 -0.013 0.000 0.620 554 A CB -0.695 18.304 19.000 -0.002 0.000 0.822 554 A HN 0.787 nan 8.150 nan 0.000 0.443 555 E N -0.127 120.054 120.200 -0.031 0.000 2.150 555 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 555 E C 1.921 178.505 176.600 -0.026 0.000 0.985 555 E CA 1.254 57.640 56.400 -0.023 0.000 0.814 555 E CB -0.460 29.230 29.700 -0.017 0.000 0.752 555 E HN 0.647 nan 8.360 nan 0.000 0.466 556 I N 1.057 121.593 120.570 -0.057 0.000 2.252 556 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 556 I C 2.853 178.892 176.117 -0.130 0.000 1.102 556 I CA 1.096 62.345 61.300 -0.085 0.000 1.385 556 I CB -0.243 37.690 38.000 -0.112 0.000 1.064 556 I HN 0.044 nan 8.210 nan 0.000 0.414 557 R N 0.409 120.797 120.500 -0.186 0.000 2.081 557 R HA -0.214 4.126 4.340 -0.000 0.000 0.235 557 R C 2.244 178.519 176.300 -0.042 0.000 1.131 557 R CA 1.602 57.628 56.100 -0.124 0.000 0.960 557 R CB -0.319 29.930 30.300 -0.085 0.000 0.856 557 R HN 0.426 nan 8.270 nan 0.000 0.436 558 E N -0.105 120.079 120.200 -0.028 0.000 2.106 558 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 558 E C 1.405 178.014 176.600 0.014 0.000 0.984 558 E CA 1.446 57.844 56.400 -0.004 0.000 0.806 558 E CB 0.167 29.865 29.700 -0.004 0.000 0.750 558 E HN 0.193 nan 8.360 nan 0.000 0.458 559 T N 1.291 115.861 114.554 0.027 0.000 2.788 559 T HA -0.098 4.251 4.350 -0.000 0.000 0.268 559 T C 1.831 176.589 174.700 0.096 0.000 1.044 559 T CA 0.888 63.039 62.100 0.084 0.000 1.139 559 T CB -0.084 68.865 68.868 0.134 0.000 0.867 559 T HN 0.153 nan 8.240 nan 0.000 0.454 560 L N 0.483 121.734 121.223 0.046 0.000 2.056 560 L HA -0.085 4.254 4.340 -0.000 0.000 0.207 560 L C 2.918 179.801 176.870 0.023 0.000 1.078 560 L CA 1.140 56.001 54.840 0.035 0.000 0.749 560 L CB -0.923 41.143 42.059 0.011 0.000 0.901 560 L HN 0.257 nan 8.230 nan 0.000 0.433 561 T N -0.987 113.576 114.554 0.015 0.000 2.737 561 T HA -0.210 4.140 4.350 -0.000 0.000 0.265 561 T C 1.887 176.602 174.700 0.025 0.000 1.038 561 T CA 1.229 63.333 62.100 0.007 0.000 1.144 561 T CB -0.139 68.734 68.868 0.009 0.000 0.866 561 T HN 0.343 nan 8.240 nan 0.000 0.434 562 Q N 0.113 119.937 119.800 0.039 0.000 2.224 562 Q HA 0.001 4.340 4.340 -0.000 0.000 0.203 562 Q C 2.620 178.683 176.000 0.104 0.000 0.970 562 Q CA 1.085 56.922 55.803 0.056 0.000 0.865 562 Q CB -0.295 28.461 28.738 0.030 0.000 0.922 562 Q HN 0.590 nan 8.270 nan 0.000 0.445 563 G N 0.995 109.862 108.800 0.111 0.000 2.404 563 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 563 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 563 G C 1.348 176.338 174.900 0.150 0.000 1.174 563 G CA 0.453 45.655 45.100 0.170 0.000 0.780 563 G HN 0.259 nan 8.290 nan 0.000 0.537 564 L N 0.559 121.798 121.223 0.026 0.000 2.046 564 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 564 L C 2.588 179.444 176.870 -0.024 0.000 1.077 564 L CA 1.875 56.649 54.840 -0.109 0.000 0.747 564 L CB -0.326 41.596 42.059 -0.228 0.000 0.896 564 L HN 0.084 nan 8.230 nan 0.000 0.432 565 E N -0.815 119.416 120.200 0.052 0.000 2.106 565 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 565 E C 2.090 178.779 176.600 0.149 0.000 0.984 565 E CA 1.426 57.882 56.400 0.093 0.000 0.806 565 E CB -0.604 29.145 29.700 0.081 0.000 0.750 565 E HN 0.596 nan 8.360 nan 0.000 0.458 566 F N 1.047 121.038 119.950 0.068 0.000 2.095 566 F HA -0.271 4.255 4.527 -0.000 0.000 0.298 566 F C 2.354 178.259 175.800 0.174 0.000 1.104 566 F CA 1.501 59.557 58.000 0.094 0.000 1.232 566 F CB -0.319 38.724 39.000 0.072 0.000 0.987 566 F HN -0.003 nan 8.300 nan 0.000 0.475 567 C N 0.904 120.327 119.300 0.204 0.000 2.429 567 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 567 C C 2.853 178.151 174.990 0.514 0.000 1.262 567 C CA 1.319 60.503 59.018 0.277 0.000 1.733 567 C CB -1.371 26.507 27.740 0.231 0.000 2.010 567 C HN 0.524 nan 8.230 nan 0.000 0.483 568 R N 0.805 121.562 120.500 0.427 0.000 2.083 568 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 568 R C 2.365 178.763 176.300 0.163 0.000 1.137 568 R CA 1.555 57.916 56.100 0.436 0.000 0.951 568 R CB -0.250 30.261 30.300 0.351 0.000 0.851 568 R HN 0.536 nan 8.270 nan 0.000 0.434 569 R N -0.389 120.140 120.500 0.047 0.000 2.189 569 R HA -0.044 4.296 4.340 -0.000 0.000 0.218 569 R C 2.119 178.342 176.300 -0.128 0.000 1.074 569 R CA 0.742 56.809 56.100 -0.054 0.000 0.991 569 R CB 0.039 30.298 30.300 -0.068 0.000 0.883 569 R HN 0.284 nan 8.270 nan 0.000 0.457 570 Q N 0.596 120.300 119.800 -0.160 0.000 2.389 570 Q HA -0.011 4.329 4.340 -0.000 0.000 0.204 570 Q C 0.465 176.389 176.000 -0.128 0.000 0.944 570 Q CA 0.466 56.187 55.803 -0.137 0.000 0.908 570 Q CB 0.146 28.794 28.738 -0.150 0.000 1.002 570 Q HN 0.378 nan 8.270 nan 0.000 0.493 571 Q N 1.173 120.795 119.800 -0.297 0.000 2.330 571 Q HA 0.009 4.349 4.340 -0.000 0.000 0.279 571 Q C -0.378 175.308 176.000 -0.523 0.000 1.024 571 Q CA 0.196 55.439 55.803 -0.934 0.000 0.900 571 Q CB 0.611 28.734 28.738 -1.024 0.000 1.221 571 Q HN 0.100 nan 8.270 nan 0.000 0.396 572 R N 1.471 121.667 120.500 -0.507 0.000 2.637 572 R HA 0.155 4.495 4.340 -0.000 0.000 0.269 572 R C 0.978 177.106 176.300 -0.285 0.000 1.089 572 R CA 0.297 56.222 56.100 -0.292 0.000 1.177 572 R CB 0.377 30.543 30.300 -0.223 0.000 1.091 572 R HN 0.847 nan 8.270 nan 0.000 0.540 573 A N 1.505 124.218 122.820 -0.178 0.000 1.972 573 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 573 A C 1.322 178.829 177.584 -0.128 0.000 1.169 573 A CA 1.990 53.945 52.037 -0.137 0.000 0.635 573 A CB -0.502 18.448 19.000 -0.084 0.000 0.810 573 A HN 0.865 nan 8.150 nan 0.000 0.446 574 D N -2.551 117.775 120.400 -0.123 0.000 2.363 574 D HA 0.275 4.915 4.640 -0.000 0.000 0.226 574 D C 1.206 177.456 176.300 -0.083 0.000 1.020 574 D CA 1.123 55.098 54.000 -0.041 0.000 0.892 574 D CB -0.378 40.468 40.800 0.076 0.000 0.900 574 D HN 0.753 nan 8.370 nan 0.000 0.531 575 G N -0.207 108.430 108.800 -0.273 0.000 2.232 575 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.226 575 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.226 575 G C 0.456 175.019 174.900 -0.561 0.000 0.996 575 G CA 0.272 45.159 45.100 -0.355 0.000 0.626 575 G HN 0.855 nan 8.290 nan 0.000 0.509 576 S N -0.220 115.048 115.700 -0.719 0.000 2.632 576 S HA 0.648 5.118 4.470 -0.000 0.000 0.267 576 S C -0.032 174.334 174.600 -0.390 0.000 1.276 576 S CA -0.350 57.413 58.200 -0.728 0.000 0.998 576 S CB 1.225 63.534 63.200 -1.485 0.000 0.953 576 S HN 0.467 nan 8.310 nan 0.000 0.547 577 W N 0.743 122.001 121.300 -0.071 0.000 2.632 577 W HA 0.372 5.032 4.660 -0.000 0.000 0.328 577 W C 0.196 176.726 176.519 0.018 0.000 1.044 577 W CA -0.591 56.753 57.345 -0.002 0.000 1.225 577 W CB 1.630 31.095 29.460 0.008 0.000 1.396 577 W HN 0.838 nan 8.180 nan 0.000 0.499 578 E N 1.367 121.666 120.200 0.165 0.000 2.316 578 E HA 0.350 4.700 4.350 -0.000 0.000 0.275 578 E C 0.471 176.973 176.600 -0.163 0.000 1.029 578 E CA -0.077 56.167 56.400 -0.259 0.000 0.871 578 E CB 0.842 30.463 29.700 -0.131 0.000 1.022 578 E HN 0.549 nan 8.360 nan 0.000 0.418 579 G N 2.443 111.067 108.800 -0.293 0.000 2.415 579 G HA2 0.179 4.139 3.960 -0.000 0.000 0.269 579 G HA3 0.179 4.139 3.960 -0.000 0.000 0.269 579 G C 0.228 174.998 174.900 -0.217 0.000 1.209 579 G CA -0.437 44.630 45.100 -0.054 0.000 0.835 579 G HN 0.542 nan 8.290 nan 0.000 0.534 580 S N 0.698 116.226 115.700 -0.286 0.000 2.524 580 S HA 0.100 4.570 4.470 -0.000 0.000 0.222 580 S C 0.820 174.831 174.600 -0.982 0.000 1.040 580 S CA -0.119 57.650 58.200 -0.718 0.000 0.915 580 S CB 0.186 62.772 63.200 -1.022 0.000 0.831 580 S HN 0.774 nan 8.310 nan 0.000 0.492 581 W N 1.528 122.750 121.300 -0.130 0.000 2.725 581 W HA 0.538 5.198 4.660 -0.000 0.000 0.336 581 W C 0.788 177.083 176.519 -0.374 0.000 1.012 581 W CA -0.376 56.883 57.345 -0.142 0.000 1.566 581 W CB 0.633 30.049 29.460 -0.074 0.000 1.068 581 W HN 0.195 nan 8.180 nan 0.000 0.546 582 G N 0.262 108.635 108.800 -0.712 0.000 2.706 582 G HA2 0.486 4.446 3.960 -0.000 0.000 0.297 582 G HA3 0.486 4.446 3.960 -0.000 0.000 0.297 582 G C -1.642 172.987 174.900 -0.452 0.000 1.403 582 G CA -0.709 43.719 45.100 -1.121 0.000 0.954 582 G HN -0.256 nan 8.290 nan 0.000 0.500 583 V N 0.732 120.643 119.914 -0.005 0.000 2.385 583 V HA 0.396 4.516 4.120 -0.000 0.000 0.269 583 V C 0.507 176.802 176.094 0.335 0.000 1.043 583 V CA -0.234 62.139 62.300 0.122 0.000 0.906 583 V CB 0.381 32.331 31.823 0.212 0.000 0.995 583 V HN 1.025 nan 8.190 nan 0.000 0.467 584 C N 4.106 123.532 119.300 0.209 0.000 3.095 584 C HA 0.249 4.709 4.460 -0.000 0.000 0.350 584 C C 1.877 176.806 174.990 -0.102 0.000 2.039 584 C CA 0.382 59.361 59.018 -0.066 0.000 1.926 584 C CB -0.445 27.158 27.740 -0.228 0.000 1.978 584 C HN 0.697 nan 8.230 nan 0.000 0.639 585 F N 2.789 122.894 119.950 0.259 0.000 2.293 585 F HA 0.039 4.565 4.527 -0.000 0.000 0.297 585 F C 2.722 178.777 175.800 0.424 0.000 1.089 585 F CA 1.864 60.076 58.000 0.354 0.000 1.377 585 F CB -0.640 38.680 39.000 0.533 0.000 1.051 585 F HN 0.455 nan 8.300 nan 0.000 0.511 586 T N -2.334 112.584 114.554 0.607 0.000 2.821 586 T HA -0.283 4.066 4.350 -0.000 0.000 0.267 586 T C 1.870 176.828 174.700 0.431 0.000 1.046 586 T CA 1.366 63.766 62.100 0.500 0.000 1.139 586 T CB -1.141 67.994 68.868 0.444 0.000 0.871 586 T HN 0.390 nan 8.240 nan 0.000 0.454 587 Y N 2.361 122.795 120.300 0.222 0.000 2.089 587 Y HA 0.070 4.620 4.550 -0.000 0.000 0.282 587 Y C 2.807 178.744 175.900 0.062 0.000 1.139 587 Y CA 1.515 59.487 58.100 -0.214 0.000 1.123 587 Y CB -0.837 37.365 38.460 -0.430 0.000 0.980 587 Y HN 0.256 nan 8.280 nan 0.000 0.493 588 G N -1.421 107.506 108.800 0.211 0.000 2.422 588 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 588 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 588 G C 1.584 176.574 174.900 0.150 0.000 1.146 588 G CA 1.476 46.666 45.100 0.149 0.000 0.769 588 G HN 0.433 nan 8.290 nan 0.000 0.547 589 T N -0.223 114.497 114.554 0.277 0.000 2.821 589 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 589 T C 1.815 176.605 174.700 0.150 0.000 1.046 589 T CA 1.143 63.458 62.100 0.359 0.000 1.139 589 T CB -0.203 68.907 68.868 0.403 0.000 0.871 589 T HN 0.535 nan 8.240 nan 0.000 0.454 590 W N 1.625 122.847 121.300 -0.130 0.000 2.355 590 W HA -0.062 4.597 4.660 -0.000 0.000 0.309 590 W C 1.430 177.697 176.519 -0.419 0.000 1.206 590 W CA 0.500 57.656 57.345 -0.315 0.000 1.284 590 W CB -1.015 28.135 29.460 -0.515 0.000 1.145 590 W HN 0.208 nan 8.180 nan 0.000 0.502 591 F N 0.950 120.414 119.950 -0.811 0.000 2.134 591 F HA -0.025 4.501 4.527 -0.000 0.000 0.299 591 F C 2.728 178.081 175.800 -0.745 0.000 1.097 591 F CA 2.182 59.616 58.000 -0.943 0.000 1.264 591 F CB -1.206 37.323 39.000 -0.785 0.000 1.001 591 F HN 0.005 nan 8.300 nan 0.000 0.479 592 G N -0.121 108.226 108.800 -0.754 0.000 2.418 592 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 592 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 592 G C 1.773 176.298 174.900 -0.625 0.000 1.158 592 G CA 0.734 44.951 45.100 -1.473 0.000 0.771 592 G HN 0.306 nan 8.290 nan 0.000 0.545 593 L N 0.165 121.199 121.223 -0.315 0.000 2.056 593 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 593 L C 2.974 179.838 176.870 -0.011 0.000 1.078 593 L CA 0.974 55.815 54.840 0.002 0.000 0.749 593 L CB -0.270 41.842 42.059 0.088 0.000 0.901 593 L HN 0.186 nan 8.230 nan 0.000 0.433 594 E N 0.133 120.211 120.200 -0.202 0.000 2.110 594 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 594 E C 2.245 178.780 176.600 -0.108 0.000 0.988 594 E CA 1.349 57.626 56.400 -0.205 0.000 0.804 594 E CB -0.146 29.267 29.700 -0.478 0.000 0.745 594 E HN 0.497 nan 8.360 nan 0.000 0.458 595 A N 0.649 123.396 122.820 -0.122 0.000 1.877 595 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 595 A C 2.055 179.600 177.584 -0.065 0.000 1.186 595 A CA 1.052 53.036 52.037 -0.088 0.000 0.620 595 A CB -0.839 18.090 19.000 -0.117 0.000 0.822 595 A HN 0.153 nan 8.150 nan 0.000 0.443 596 F N 0.140 120.060 119.950 -0.049 0.000 2.134 596 F HA -0.103 4.424 4.527 -0.001 0.000 0.299 596 F C 2.794 178.611 175.800 0.028 0.000 1.097 596 F CA 1.200 59.215 58.000 0.025 0.000 1.264 596 F CB -0.249 38.796 39.000 0.075 0.000 1.001 596 F HN 0.266 nan 8.300 nan 0.000 0.479 597 A N -0.616 122.313 122.820 0.181 0.000 1.930 597 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 597 A C 2.285 179.916 177.584 0.078 0.000 1.175 597 A CA 1.559 53.672 52.037 0.127 0.000 0.627 597 A CB -1.624 17.442 19.000 0.109 0.000 0.815 597 A HN 0.642 nan 8.150 nan 0.000 0.443 598 C N -1.804 117.524 119.300 0.045 0.000 2.456 598 C HA 0.166 4.626 4.460 -0.000 0.000 0.279 598 C C 1.908 176.919 174.990 0.035 0.000 1.427 598 C CA 0.595 59.640 59.018 0.044 0.000 1.778 598 C CB -1.014 26.749 27.740 0.038 0.000 1.842 598 C HN 0.454 nan 8.230 nan 0.000 0.531 599 M N 0.908 120.512 119.600 0.006 0.000 2.493 599 M HA 0.234 4.714 4.480 -0.000 0.000 0.244 599 M C 1.695 178.007 176.300 0.021 0.000 1.182 599 M CA 0.741 56.035 55.300 -0.011 0.000 0.981 599 M CB -0.957 31.586 32.600 -0.096 0.000 1.551 599 M HN 0.732 nan 8.290 nan 0.000 0.476 600 G N 0.929 109.759 108.800 0.050 0.000 2.148 600 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.254 600 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.254 600 G C 0.060 175.010 174.900 0.083 0.000 0.981 600 G CA -0.097 45.041 45.100 0.063 0.000 0.670 600 G HN 0.467 nan 8.290 nan 0.000 0.528 601 Q N 1.400 121.273 119.800 0.120 0.000 2.503 601 Q HA 0.448 4.788 4.340 -0.000 0.000 0.227 601 Q C 0.718 176.817 176.000 0.164 0.000 1.109 601 Q CA 0.723 56.629 55.803 0.170 0.000 0.922 601 Q CB 0.865 29.805 28.738 0.336 0.000 1.249 601 Q HN 0.771 nan 8.270 nan 0.000 0.530 602 T N -2.309 112.309 114.554 0.107 0.000 2.807 602 T HA 0.550 4.900 4.350 -0.000 0.000 0.277 602 T C -0.031 174.690 174.700 0.036 0.000 1.006 602 T CA -0.605 61.566 62.100 0.118 0.000 1.006 602 T CB 0.695 69.651 68.868 0.146 0.000 1.274 602 T HN 0.239 nan 8.240 nan 0.000 0.569 603 Y N 0.586 120.930 120.300 0.073 0.000 2.379 603 Y HA 0.552 5.101 4.550 -0.000 0.000 0.337 603 Y C 1.317 177.238 175.900 0.035 0.000 1.238 603 Y CA 0.160 58.283 58.100 0.038 0.000 1.405 603 Y CB 0.623 39.081 38.460 -0.002 0.000 1.310 603 Y HN 0.386 nan 8.280 nan 0.000 0.569 604 R N 1.665 122.255 120.500 0.150 0.000 2.536 604 R HA 0.103 4.443 4.340 -0.000 0.000 0.269 604 R C -1.409 174.950 176.300 0.097 0.000 1.113 604 R CA -0.677 55.485 56.100 0.103 0.000 0.948 604 R CB 1.753 32.087 30.300 0.057 0.000 1.237 604 R HN 0.840 nan 8.270 nan 0.000 0.441 605 D N 1.536 121.986 120.400 0.083 0.000 2.837 605 D HA -0.196 4.444 4.640 -0.000 0.000 0.230 605 D C 0.801 177.148 176.300 0.079 0.000 1.152 605 D CA 1.869 55.908 54.000 0.065 0.000 0.736 605 D CB -0.813 40.016 40.800 0.049 0.000 1.084 605 D HN 1.092 nan 8.370 nan 0.000 0.429 606 G N -1.311 107.557 108.800 0.114 0.000 2.162 606 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.260 606 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.260 606 G C 0.380 175.427 174.900 0.246 0.000 0.976 606 G CA 1.009 46.184 45.100 0.124 0.000 0.655 606 G HN 0.774 nan 8.290 nan 0.000 0.533 607 T N -0.945 113.743 114.554 0.224 0.000 2.901 607 T HA 0.912 5.261 4.350 -0.000 0.000 0.293 607 T C -0.310 174.277 174.700 -0.189 0.000 1.084 607 T CA 0.792 62.950 62.100 0.097 0.000 1.008 607 T CB 1.669 70.561 68.868 0.040 0.000 1.170 607 T HN 1.757 nan 8.240 nan 0.000 0.509 608 A N 0.708 123.289 122.820 -0.399 0.000 2.593 608 A HA 0.689 5.009 4.320 -0.000 0.000 0.290 608 A C 0.315 177.751 177.584 -0.248 0.000 1.126 608 A CA -0.530 51.203 52.037 -0.506 0.000 0.695 608 A CB 0.075 18.394 19.000 -1.136 0.000 1.290 608 A HN 1.497 nan 8.150 nan 0.000 0.414 609 C N -0.351 118.857 119.300 -0.153 0.000 2.745 609 C HA 0.535 4.995 4.460 -0.000 0.000 0.387 609 C C 1.970 176.900 174.990 -0.099 0.000 1.312 609 C CA 0.184 59.163 59.018 -0.065 0.000 2.204 609 C CB -0.315 27.445 27.740 0.032 0.000 2.686 609 C HN 1.746 nan 8.230 nan 0.000 0.705 610 A N 0.979 123.763 122.820 -0.061 0.000 1.908 610 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 610 A C 1.989 179.500 177.584 -0.121 0.000 1.181 610 A CA 2.224 54.220 52.037 -0.069 0.000 0.627 610 A CB -0.811 18.163 19.000 -0.043 0.000 0.818 610 A HN 0.979 nan 8.150 nan 0.000 0.445 611 E N -0.371 119.723 120.200 -0.176 0.000 2.038 611 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 611 E C 1.972 178.366 176.600 -0.343 0.000 1.000 611 E CA 1.464 57.663 56.400 -0.334 0.000 0.803 611 E CB -0.490 28.879 29.700 -0.551 0.000 0.750 611 E HN 0.332 nan 8.360 nan 0.000 0.448 612 V N 0.727 120.438 119.914 -0.338 0.000 2.343 612 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 612 V C 2.137 178.219 176.094 -0.018 0.000 1.051 612 V CA 1.973 64.171 62.300 -0.170 0.000 1.036 612 V CB -0.552 31.184 31.823 -0.145 0.000 0.654 612 V HN 0.230 nan 8.190 nan 0.000 0.451 613 S N -0.291 115.373 115.700 -0.060 0.000 2.356 613 S HA -0.231 4.239 4.470 -0.000 0.000 0.223 613 S C 2.108 176.775 174.600 0.112 0.000 1.032 613 S CA 1.640 59.896 58.200 0.093 0.000 1.005 613 S CB -0.342 62.885 63.200 0.045 0.000 0.867 613 S HN 0.512 nan 8.310 nan 0.000 0.449 614 R N 1.100 121.609 120.500 0.015 0.000 2.081 614 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 614 R C 2.647 178.978 176.300 0.051 0.000 1.131 614 R CA 1.191 57.298 56.100 0.011 0.000 0.960 614 R CB -0.572 29.683 30.300 -0.075 0.000 0.856 614 R HN 0.420 nan 8.270 nan 0.000 0.436 615 A N 0.398 123.221 122.820 0.006 0.000 1.883 615 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 615 A C 2.340 180.050 177.584 0.210 0.000 1.186 615 A CA 1.746 53.838 52.037 0.093 0.000 0.624 615 A CB -0.922 18.181 19.000 0.173 0.000 0.822 615 A HN 0.498 nan 8.150 nan 0.000 0.444 616 C N -0.952 118.474 119.300 0.210 0.000 2.450 616 C HA -0.028 4.432 4.460 -0.000 0.000 0.279 616 C C 2.444 177.507 174.990 0.122 0.000 1.335 616 C CA 0.981 60.105 59.018 0.177 0.000 1.749 616 C CB -1.070 26.841 27.740 0.284 0.000 1.963 616 C HN 0.752 nan 8.230 nan 0.000 0.501 617 D N 0.242 120.739 120.400 0.161 0.000 2.117 617 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 617 D C 1.842 178.207 176.300 0.109 0.000 0.982 617 D CA 1.078 55.147 54.000 0.115 0.000 0.828 617 D CB -0.398 40.468 40.800 0.110 0.000 0.967 617 D HN 0.450 nan 8.370 nan 0.000 0.464 618 F N 0.800 120.757 119.950 0.013 0.000 2.065 618 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 618 F C 2.105 177.923 175.800 0.030 0.000 1.112 618 F CA 1.533 59.528 58.000 -0.008 0.000 1.212 618 F CB -0.304 38.694 39.000 -0.004 0.000 0.975 618 F HN -0.008 nan 8.300 nan 0.000 0.476 619 L N -0.287 121.122 121.223 0.310 0.000 2.005 619 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 619 L C 2.515 179.616 176.870 0.384 0.000 1.072 619 L CA 1.367 56.400 54.840 0.322 0.000 0.744 619 L CB -0.946 41.230 42.059 0.196 0.000 0.895 619 L HN 0.195 nan 8.230 nan 0.000 0.433 620 L N -0.697 120.652 121.223 0.212 0.000 2.127 620 L HA -0.206 4.133 4.340 -0.000 0.000 0.211 620 L C 2.596 179.454 176.870 -0.021 0.000 1.089 620 L CA 1.011 55.933 54.840 0.136 0.000 0.757 620 L CB -0.470 41.592 42.059 0.006 0.000 0.899 620 L HN 0.215 nan 8.230 nan 0.000 0.434 621 S N -0.589 115.063 115.700 -0.079 0.000 2.474 621 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 621 S C 1.704 176.153 174.600 -0.251 0.000 0.997 621 S CA 0.947 59.047 58.200 -0.166 0.000 0.949 621 S CB -0.144 62.936 63.200 -0.200 0.000 0.766 621 S HN 0.407 nan 8.310 nan 0.000 0.517 622 R N 0.592 120.931 120.500 -0.268 0.000 2.432 622 R HA 0.224 4.563 4.340 -0.000 0.000 0.260 622 R C 0.503 176.496 176.300 -0.511 0.000 0.935 622 R CA -0.151 55.735 56.100 -0.355 0.000 1.080 622 R CB 0.273 30.250 30.300 -0.538 0.000 1.155 622 R HN 0.372 nan 8.270 nan 0.000 0.531 623 Q N 1.410 120.792 119.800 -0.697 0.000 2.337 623 Q HA 0.094 4.434 4.340 -0.000 0.000 0.270 623 Q C -0.355 175.230 176.000 -0.693 0.000 1.002 623 Q CA 0.275 55.300 55.803 -1.297 0.000 0.888 623 Q CB 0.736 28.777 28.738 -1.163 0.000 1.222 623 Q HN 0.069 nan 8.270 nan 0.000 0.400 624 M N 2.044 121.270 119.600 -0.623 0.000 2.245 624 M HA 0.262 4.742 4.480 -0.000 0.000 0.292 624 M C 1.186 177.329 176.300 -0.261 0.000 1.176 624 M CA -0.046 55.058 55.300 -0.327 0.000 1.035 624 M CB 0.653 33.122 32.600 -0.218 0.000 1.440 624 M HN 0.848 nan 8.290 nan 0.000 0.494 625 A N 0.648 123.366 122.820 -0.170 0.000 1.978 625 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 625 A C 1.499 179.012 177.584 -0.118 0.000 1.170 625 A CA 2.171 54.130 52.037 -0.129 0.000 0.636 625 A CB -0.895 18.052 19.000 -0.088 0.000 0.810 625 A HN 0.953 nan 8.150 nan 0.000 0.448 626 D N -2.289 118.043 120.400 -0.114 0.000 2.349 626 D HA 0.258 4.898 4.640 -0.000 0.000 0.224 626 D C 1.175 177.412 176.300 -0.106 0.000 1.029 626 D CA 1.098 55.045 54.000 -0.088 0.000 0.879 626 D CB -0.466 40.299 40.800 -0.059 0.000 0.906 626 D HN 0.818 nan 8.370 nan 0.000 0.528 627 G N -1.057 107.639 108.800 -0.173 0.000 2.213 627 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.236 627 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.236 627 G C 0.625 175.394 174.900 -0.219 0.000 0.991 627 G CA 0.082 45.069 45.100 -0.189 0.000 0.629 627 G HN 0.814 nan 8.290 nan 0.000 0.517 628 G N -1.611 107.081 108.800 -0.180 0.000 2.568 628 G HA2 0.565 4.525 3.960 -0.000 0.000 0.293 628 G HA3 0.565 4.525 3.960 -0.000 0.000 0.293 628 G C -0.375 174.449 174.900 -0.127 0.000 1.347 628 G CA -0.651 44.435 45.100 -0.024 0.000 1.039 628 G HN 0.273 nan 8.290 nan 0.000 0.523 629 W N -1.572 119.693 121.300 -0.058 0.000 2.962 629 W HA 0.600 5.259 4.660 -0.000 0.000 0.341 629 W C -0.158 176.346 176.519 -0.025 0.000 1.155 629 W CA -0.739 56.612 57.345 0.009 0.000 1.165 629 W CB 2.610 32.105 29.460 0.059 0.000 1.435 629 W HN 0.865 nan 8.180 nan 0.000 0.546 630 G N 1.550 110.509 108.800 0.265 0.000 2.761 630 G HA2 0.483 4.443 3.960 -0.000 0.000 0.296 630 G HA3 0.483 4.443 3.960 -0.000 0.000 0.296 630 G C -1.936 173.013 174.900 0.081 0.000 1.416 630 G CA -0.601 44.561 45.100 0.102 0.000 1.105 630 G HN 0.329 nan 8.290 nan 0.000 0.565 631 E N 1.018 121.214 120.200 -0.007 0.000 2.266 631 E HA 0.344 4.694 4.350 -0.000 0.000 0.268 631 E C -1.116 175.496 176.600 0.021 0.000 0.879 631 E CA -0.908 55.415 56.400 -0.129 0.000 0.762 631 E CB 2.525 32.103 29.700 -0.202 0.000 1.199 631 E HN 0.385 nan 8.360 nan 0.000 0.422 632 D N 1.019 121.436 120.400 0.028 0.000 2.312 632 D HA 0.054 4.694 4.640 -0.000 0.000 0.248 632 D C 0.537 176.901 176.300 0.106 0.000 1.086 632 D CA -0.180 53.884 54.000 0.106 0.000 0.948 632 D CB 0.704 41.568 40.800 0.107 0.000 1.162 632 D HN 0.400 nan 8.370 nan 0.000 0.446 633 F N 1.299 121.296 119.950 0.078 0.000 2.192 633 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 633 F C 1.781 177.612 175.800 0.052 0.000 1.079 633 F CA 1.548 59.579 58.000 0.052 0.000 1.303 633 F CB 0.253 39.281 39.000 0.046 0.000 1.024 633 F HN 0.344 nan 8.300 nan 0.000 0.494 634 E N -0.118 120.083 120.200 0.002 0.000 2.331 634 E HA -0.167 4.182 4.350 -0.000 0.000 0.199 634 E C 2.205 178.763 176.600 -0.070 0.000 1.008 634 E CA 1.083 57.470 56.400 -0.022 0.000 0.843 634 E CB -0.367 29.392 29.700 0.098 0.000 0.761 634 E HN 0.330 nan 8.360 nan 0.000 0.507 635 S N -0.090 115.567 115.700 -0.071 0.000 2.383 635 S HA -0.221 4.248 4.470 -0.000 0.000 0.229 635 S C 1.983 176.584 174.600 0.001 0.000 1.030 635 S CA 1.206 59.440 58.200 0.057 0.000 1.002 635 S CB -0.400 62.862 63.200 0.104 0.000 0.829 635 S HN 0.491 nan 8.310 nan 0.000 0.467 636 C N 1.727 120.846 119.300 -0.302 0.000 2.453 636 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 636 C C 2.610 177.467 174.990 -0.221 0.000 1.262 636 C CA 0.282 59.078 59.018 -0.370 0.000 1.718 636 C CB -1.299 26.025 27.740 -0.693 0.000 2.031 636 C HN 0.636 nan 8.230 nan 0.000 0.480 637 E N 0.922 120.990 120.200 -0.219 0.000 2.051 637 E HA -0.173 4.176 4.350 -0.000 0.000 0.192 637 E C 2.017 178.740 176.600 0.205 0.000 0.991 637 E CA 0.996 57.434 56.400 0.063 0.000 0.799 637 E CB -0.195 29.589 29.700 0.139 0.000 0.748 637 E HN 0.601 nan 8.360 nan 0.000 0.449 638 E N 0.191 120.461 120.200 0.117 0.000 2.371 638 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 638 E C 0.121 176.805 176.600 0.141 0.000 1.012 638 E CA 0.143 56.615 56.400 0.121 0.000 0.860 638 E CB 0.136 29.895 29.700 0.099 0.000 0.811 638 E HN 0.189 nan 8.360 nan 0.000 0.502 639 R N 0.364 120.973 120.500 0.182 0.000 3.532 639 R HA -0.189 4.151 4.340 -0.000 0.000 0.284 639 R C -0.037 176.498 176.300 0.392 0.000 1.140 639 R CA 0.849 57.120 56.100 0.286 0.000 0.768 639 R CB -2.101 28.304 30.300 0.176 0.000 1.252 639 R HN 0.319 nan 8.270 nan 0.000 0.454 640 R N -1.879 118.831 120.500 0.349 0.000 2.692 640 R HA 0.314 4.654 4.340 -0.000 0.000 0.269 640 R C -1.264 175.063 176.300 0.045 0.000 1.030 640 R CA -1.110 54.978 56.100 -0.020 0.000 0.882 640 R CB 0.666 30.974 30.300 0.012 0.000 1.250 640 R HN 0.001 nan 8.270 nan 0.000 0.465 641 Y N 1.577 121.671 120.300 -0.343 0.000 2.569 641 Y HA 0.255 4.805 4.550 -0.000 0.000 0.332 641 Y C -0.570 175.362 175.900 0.052 0.000 1.120 641 Y CA 0.522 58.609 58.100 -0.023 0.000 1.416 641 Y CB 0.969 39.404 38.460 -0.041 0.000 1.210 641 Y HN 0.342 nan 8.280 nan 0.000 0.528 642 V N 7.287 127.251 119.914 0.084 0.000 2.304 642 V HA 0.128 4.248 4.120 -0.000 0.000 0.278 642 V C -0.375 175.756 176.094 0.061 0.000 1.018 642 V CA -0.953 61.404 62.300 0.096 0.000 0.814 642 V CB 0.973 32.838 31.823 0.070 0.000 1.021 642 V HN 0.686 nan 8.190 nan 0.000 0.440 643 Q N 4.259 124.172 119.800 0.187 0.000 2.300 643 Q HA 0.190 4.530 4.340 -0.000 0.000 0.280 643 Q C 0.520 176.581 176.000 0.102 0.000 1.033 643 Q CA 0.394 56.317 55.803 0.200 0.000 0.903 643 Q CB 0.906 29.766 28.738 0.204 0.000 1.195 643 Q HN 0.922 nan 8.270 nan 0.000 0.386 644 S N 2.953 118.704 115.700 0.084 0.000 2.645 644 S HA 0.572 5.042 4.470 -0.000 0.000 0.266 644 S C 0.965 175.599 174.600 0.057 0.000 1.258 644 S CA -0.372 57.870 58.200 0.069 0.000 0.990 644 S CB 1.161 64.400 63.200 0.066 0.000 0.967 644 S HN 0.817 nan 8.310 nan 0.000 0.556 645 A N 0.699 123.550 122.820 0.052 0.000 1.902 645 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 645 A C 1.113 178.713 177.584 0.027 0.000 1.181 645 A CA 1.024 53.084 52.037 0.038 0.000 0.623 645 A CB -0.600 18.425 19.000 0.041 0.000 0.818 645 A HN 0.863 nan 8.150 nan 0.000 0.443 646 Q N -0.738 119.080 119.800 0.031 0.000 2.433 646 Q HA 0.477 4.816 4.340 -0.000 0.000 0.279 646 Q C -0.525 175.482 176.000 0.011 0.000 1.105 646 Q CA -0.502 55.312 55.803 0.018 0.000 0.815 646 Q CB 2.000 30.753 28.738 0.025 0.000 1.403 646 Q HN 0.449 nan 8.270 nan 0.000 0.435 647 S N 1.214 116.911 115.700 -0.005 0.000 2.573 647 S HA 0.165 4.635 4.470 -0.000 0.000 0.277 647 S C -0.296 174.279 174.600 -0.042 0.000 1.346 647 S CA -0.579 57.613 58.200 -0.013 0.000 1.034 647 S CB 0.682 63.869 63.200 -0.022 0.000 0.879 647 S HN 0.401 nan 8.310 nan 0.000 0.528 648 Q N 1.346 121.080 119.800 -0.110 0.000 2.337 648 Q HA 0.449 4.789 4.340 -0.000 0.000 0.266 648 Q C 1.084 176.864 176.000 -0.367 0.000 1.023 648 Q CA -0.622 55.026 55.803 -0.258 0.000 0.829 648 Q CB 1.881 30.338 28.738 -0.468 0.000 1.306 648 Q HN 0.791 nan 8.270 nan 0.000 0.449 649 I N 2.155 122.550 120.570 -0.291 0.000 2.127 649 I HA -0.366 3.804 4.170 -0.000 0.000 0.241 649 I C 2.359 178.176 176.117 -0.501 0.000 1.075 649 I CA 1.441 62.558 61.300 -0.305 0.000 1.334 649 I CB -0.299 37.582 38.000 -0.199 0.000 1.040 649 I HN 0.695 nan 8.210 nan 0.000 0.405 650 H N 0.853 119.614 119.070 -0.515 0.000 2.290 650 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 650 H C 1.656 176.145 175.328 -1.399 0.000 1.087 650 H CA 2.024 57.387 56.048 -1.142 0.000 1.291 650 H CB -1.407 27.689 29.762 -1.111 0.000 1.369 650 H HN 0.434 nan 8.280 nan 0.000 0.492 651 N N 0.376 118.465 118.700 -1.019 0.000 2.104 651 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 651 N C 1.894 177.215 175.510 -0.316 0.000 1.024 651 N CA 2.067 54.880 53.050 -0.396 0.000 0.853 651 N CB -0.150 38.275 38.487 -0.105 0.000 1.008 651 N HN 0.326 nan 8.380 nan 0.000 0.424 652 T N 0.292 114.681 114.554 -0.275 0.000 2.652 652 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 652 T C 2.169 176.671 174.700 -0.330 0.000 1.039 652 T CA 1.024 63.075 62.100 -0.082 0.000 1.153 652 T CB -0.543 68.299 68.868 -0.044 0.000 0.863 652 T HN 0.405 nan 8.240 nan 0.000 0.428 653 C N 0.111 119.107 119.300 -0.507 0.000 2.429 653 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 653 C C 2.543 177.136 174.990 -0.662 0.000 1.262 653 C CA -0.237 58.447 59.018 -0.557 0.000 1.733 653 C CB -1.414 25.973 27.740 -0.588 0.000 2.010 653 C HN 0.647 nan 8.230 nan 0.000 0.483 654 W N 1.176 122.016 121.300 -0.767 0.000 2.358 654 W HA -0.033 4.627 4.660 -0.000 0.000 0.303 654 W C 2.710 178.831 176.519 -0.664 0.000 1.208 654 W CA 1.231 58.016 57.345 -0.933 0.000 1.274 654 W CB -1.680 27.410 29.460 -0.616 0.000 1.138 654 W HN 0.374 nan 8.180 nan 0.000 0.515 655 A N 0.020 122.556 122.820 -0.474 0.000 1.873 655 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 655 A C 2.095 179.296 177.584 -0.637 0.000 1.186 655 A CA 2.096 53.673 52.037 -0.766 0.000 0.616 655 A CB -0.916 16.885 19.000 -1.998 0.000 0.823 655 A HN 0.195 nan 8.150 nan 0.000 0.442 656 M N -1.191 118.061 119.600 -0.579 0.000 2.080 656 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 656 M C 2.434 178.627 176.300 -0.179 0.000 1.068 656 M CA 1.973 57.109 55.300 -0.272 0.000 1.109 656 M CB -0.495 32.008 32.600 -0.162 0.000 1.342 656 M HN 0.417 nan 8.290 nan 0.000 0.405 657 M N -0.423 118.995 119.600 -0.303 0.000 2.117 657 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 657 M C 2.312 178.594 176.300 -0.029 0.000 1.065 657 M CA 1.755 56.895 55.300 -0.266 0.000 1.114 657 M CB -0.873 31.325 32.600 -0.670 0.000 1.361 657 M HN 0.475 nan 8.290 nan 0.000 0.408 658 G N 0.281 109.107 108.800 0.044 0.000 2.418 658 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 658 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 658 G C 1.512 176.482 174.900 0.117 0.000 1.158 658 G CA 0.515 45.718 45.100 0.172 0.000 0.771 658 G HN 0.317 nan 8.290 nan 0.000 0.545 659 L N -0.223 121.033 121.223 0.055 0.000 2.017 659 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 659 L C 3.123 180.096 176.870 0.171 0.000 1.073 659 L CA 1.143 56.047 54.840 0.107 0.000 0.745 659 L CB -0.314 41.764 42.059 0.032 0.000 0.894 659 L HN 0.234 nan 8.230 nan 0.000 0.432 660 M N -0.892 118.790 119.600 0.137 0.000 2.175 660 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 660 M C 2.530 178.902 176.300 0.120 0.000 1.063 660 M CA 1.607 56.997 55.300 0.150 0.000 1.119 660 M CB -0.501 32.179 32.600 0.133 0.000 1.377 660 M HN 0.321 nan 8.290 nan 0.000 0.415 661 A N 0.405 123.292 122.820 0.113 0.000 1.892 661 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 661 A C 1.925 179.593 177.584 0.139 0.000 1.188 661 A CA 2.138 54.240 52.037 0.108 0.000 0.631 661 A CB -1.076 17.982 19.000 0.097 0.000 0.822 661 A HN 0.469 nan 8.150 nan 0.000 0.447 662 V N -5.132 114.898 119.914 0.193 0.000 3.577 662 V HA 0.261 4.381 4.120 -0.000 0.000 0.294 662 V C 0.395 176.674 176.094 0.307 0.000 1.317 662 V CA 0.098 62.549 62.300 0.252 0.000 1.169 662 V CB -0.844 31.167 31.823 0.312 0.000 1.011 662 V HN 0.480 nan 8.190 nan 0.000 0.426 663 R N 0.555 121.192 120.500 0.229 0.000 3.336 663 R HA -0.212 4.128 4.340 -0.000 0.000 0.260 663 R C 0.277 176.672 176.300 0.158 0.000 1.032 663 R CA 1.021 57.237 56.100 0.193 0.000 0.693 663 R CB -3.085 27.312 30.300 0.161 0.000 1.134 663 R HN 0.894 nan 8.270 nan 0.000 0.433 664 H N 2.760 121.854 119.070 0.039 0.000 2.964 664 H HA 0.042 4.598 4.556 -0.000 0.000 0.328 664 H C -1.077 174.111 175.328 -0.234 0.000 1.030 664 H CA -0.688 55.161 56.048 -0.331 0.000 1.445 664 H CB 1.195 30.843 29.762 -0.191 0.000 1.449 664 H HN 0.002 nan 8.280 nan 0.000 0.581 665 P HA -0.071 nan 4.420 nan 0.000 0.233 665 P C 0.253 177.496 177.300 -0.094 0.000 1.167 665 P CA 0.586 63.510 63.100 -0.293 0.000 0.770 665 P CB 0.198 31.704 31.700 -0.324 0.000 0.837 666 D N 0.312 120.759 120.400 0.078 0.000 2.517 666 D HA 0.107 4.747 4.640 -0.000 0.000 0.220 666 D C 1.240 177.602 176.300 0.103 0.000 1.158 666 D CA -0.276 53.803 54.000 0.132 0.000 0.992 666 D CB -0.517 40.419 40.800 0.226 0.000 1.058 666 D HN 0.031 nan 8.370 nan 0.000 0.516 667 I N 1.586 122.157 120.570 0.001 0.000 2.439 667 I HA -0.170 3.999 4.170 -0.000 0.000 0.251 667 I C 2.041 178.147 176.117 -0.018 0.000 1.139 667 I CA 0.633 61.874 61.300 -0.098 0.000 1.438 667 I CB 0.063 37.856 38.000 -0.344 0.000 1.085 667 I HN 0.328 nan 8.210 nan 0.000 0.427 668 E N 1.132 121.328 120.200 -0.006 0.000 2.153 668 E HA -0.190 4.159 4.350 -0.000 0.000 0.194 668 E C 2.350 178.964 176.600 0.023 0.000 0.988 668 E CA 1.194 57.599 56.400 0.008 0.000 0.811 668 E CB -0.107 29.592 29.700 -0.002 0.000 0.746 668 E HN 0.528 nan 8.360 nan 0.000 0.466 669 A N 1.214 124.062 122.820 0.046 0.000 1.930 669 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 669 A C 2.027 179.680 177.584 0.115 0.000 1.175 669 A CA 1.148 53.220 52.037 0.059 0.000 0.627 669 A CB -0.307 18.739 19.000 0.076 0.000 0.815 669 A HN 0.153 nan 8.150 nan 0.000 0.443 670 Q N -0.354 119.535 119.800 0.148 0.000 2.124 670 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 670 Q C 1.876 177.908 176.000 0.054 0.000 0.977 670 Q CA 1.598 57.516 55.803 0.192 0.000 0.850 670 Q CB -0.172 28.764 28.738 0.330 0.000 0.901 670 Q HN 0.751 nan 8.270 nan 0.000 0.429 671 E N 0.427 120.637 120.200 0.016 0.000 2.150 671 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 671 E C 1.990 178.515 176.600 -0.126 0.000 0.985 671 E CA 0.505 56.805 56.400 -0.167 0.000 0.814 671 E CB 0.030 29.704 29.700 -0.043 0.000 0.752 671 E HN 0.253 nan 8.360 nan 0.000 0.466 672 R N 0.081 120.551 120.500 -0.049 0.000 2.120 672 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 672 R C 2.429 178.704 176.300 -0.042 0.000 1.123 672 R CA 1.096 57.165 56.100 -0.052 0.000 0.975 672 R CB -0.311 29.952 30.300 -0.063 0.000 0.866 672 R HN 0.174 nan 8.270 nan 0.000 0.446 673 G N 0.376 109.184 108.800 0.014 0.000 2.402 673 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 673 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 673 G C 1.465 176.342 174.900 -0.038 0.000 1.162 673 G CA 0.428 45.571 45.100 0.072 0.000 0.777 673 G HN 0.093 nan 8.290 nan 0.000 0.539 674 V N 0.976 120.802 119.914 -0.147 0.000 2.252 674 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 674 V C 2.982 179.006 176.094 -0.117 0.000 1.056 674 V CA 2.357 64.521 62.300 -0.226 0.000 1.022 674 V CB -0.506 30.982 31.823 -0.558 0.000 0.641 674 V HN 0.343 nan 8.190 nan 0.000 0.445 675 R N -1.049 119.390 120.500 -0.102 0.000 2.096 675 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 675 R C 2.396 178.691 176.300 -0.009 0.000 1.127 675 R CA 1.617 57.693 56.100 -0.041 0.000 0.968 675 R CB -0.988 29.291 30.300 -0.035 0.000 0.861 675 R HN 0.612 nan 8.270 nan 0.000 0.440 676 C N 1.049 120.339 119.300 -0.017 0.000 2.413 676 C HA -0.073 4.387 4.460 -0.000 0.000 0.276 676 C C 2.480 177.492 174.990 0.036 0.000 1.236 676 C CA 0.797 59.816 59.018 0.001 0.000 1.735 676 C CB -0.960 26.773 27.740 -0.012 0.000 2.031 676 C HN 0.438 nan 8.230 nan 0.000 0.474 677 L N 0.255 121.496 121.223 0.030 0.000 2.056 677 L HA -0.120 4.219 4.340 -0.000 0.000 0.207 677 L C 2.656 179.703 176.870 0.295 0.000 1.078 677 L CA 1.363 56.261 54.840 0.098 0.000 0.749 677 L CB -0.669 41.370 42.059 -0.033 0.000 0.901 677 L HN 0.386 nan 8.230 nan 0.000 0.433 678 L N -0.461 120.862 121.223 0.166 0.000 2.093 678 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 678 L C 2.603 179.513 176.870 0.067 0.000 1.085 678 L CA 1.198 56.116 54.840 0.130 0.000 0.755 678 L CB -0.476 41.609 42.059 0.044 0.000 0.904 678 L HN 0.335 nan 8.230 nan 0.000 0.435 679 E N 0.477 120.713 120.200 0.060 0.000 2.204 679 E HA -0.197 4.152 4.350 -0.000 0.000 0.194 679 E C 1.865 178.489 176.600 0.040 0.000 0.989 679 E CA 0.874 57.293 56.400 0.032 0.000 0.824 679 E CB 0.241 29.959 29.700 0.029 0.000 0.756 679 E HN 0.433 nan 8.360 nan 0.000 0.477 680 K N 0.289 120.757 120.400 0.113 0.000 2.361 680 K HA -0.001 4.319 4.320 -0.000 0.000 0.196 680 K C 0.860 177.481 176.600 0.036 0.000 1.039 680 K CA -0.111 56.260 56.287 0.141 0.000 1.001 680 K CB 0.165 32.823 32.500 0.264 0.000 0.795 680 K HN 0.075 nan 8.250 nan 0.000 0.495 681 Q N 1.690 121.411 119.800 -0.132 0.000 2.315 681 Q HA 0.035 4.375 4.340 -0.000 0.000 0.289 681 Q C -0.590 175.127 176.000 -0.472 0.000 1.044 681 Q CA -0.016 55.334 55.803 -0.756 0.000 0.920 681 Q CB 0.504 28.741 28.738 -0.835 0.000 1.214 681 Q HN 0.135 nan 8.270 nan 0.000 0.392 682 L N 5.675 126.584 121.223 -0.525 0.000 2.456 682 L HA 0.171 4.511 4.340 -0.000 0.000 0.257 682 L C -1.529 175.171 176.870 -0.284 0.000 1.162 682 L CA -1.878 52.774 54.840 -0.314 0.000 0.808 682 L CB 0.187 42.081 42.059 -0.274 0.000 1.136 682 L HN 0.646 nan 8.230 nan 0.000 0.466 683 P HA -0.160 nan 4.420 nan 0.000 0.216 683 P C 0.668 177.911 177.300 -0.096 0.000 1.150 683 P CA 1.225 64.260 63.100 -0.110 0.000 0.843 683 P CB -0.051 31.621 31.700 -0.047 0.000 0.787 684 N N -1.470 117.170 118.700 -0.101 0.000 2.461 684 N HA 0.061 4.801 4.740 -0.000 0.000 0.188 684 N C 1.223 176.669 175.510 -0.106 0.000 1.134 684 N CA 0.920 53.957 53.050 -0.021 0.000 0.878 684 N CB -0.839 37.716 38.487 0.114 0.000 0.972 684 N HN 0.217 nan 8.380 nan 0.000 0.456 685 G N -0.773 107.840 108.800 -0.313 0.000 2.213 685 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.236 685 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.236 685 G C -0.269 174.230 174.900 -0.668 0.000 0.991 685 G CA 0.173 45.046 45.100 -0.378 0.000 0.629 685 G HN 0.625 nan 8.290 nan 0.000 0.517 686 D N -0.799 119.023 120.400 -0.964 0.000 2.411 686 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 686 D C 0.116 176.076 176.300 -0.567 0.000 1.201 686 D CA -0.284 53.134 54.000 -0.971 0.000 0.996 686 D CB 0.393 40.342 40.800 -1.419 0.000 1.101 686 D HN 0.170 nan 8.370 nan 0.000 0.504 687 W N 0.660 121.858 121.300 -0.170 0.000 2.864 687 W HA 0.325 4.985 4.660 -0.000 0.000 0.343 687 W C -2.026 174.479 176.519 -0.024 0.000 1.109 687 W CA -1.531 55.769 57.345 -0.077 0.000 1.192 687 W CB 1.647 31.080 29.460 -0.045 0.000 1.426 687 W HN 0.267 nan 8.180 nan 0.000 0.529 688 P HA 0.052 nan 4.420 nan 0.000 0.276 688 P C -0.941 176.453 177.300 0.157 0.000 1.252 688 P CA -0.165 63.021 63.100 0.143 0.000 0.802 688 P CB 1.243 33.009 31.700 0.110 0.000 1.035 689 Q N 0.627 120.495 119.800 0.114 0.000 2.267 689 Q HA 0.175 4.515 4.340 -0.000 0.000 0.255 689 Q C -0.157 175.887 176.000 0.075 0.000 0.923 689 Q CA 0.001 55.858 55.803 0.091 0.000 0.925 689 Q CB 0.750 29.504 28.738 0.026 0.000 1.195 689 Q HN 0.358 nan 8.270 nan 0.000 0.417 690 E N 2.222 122.483 120.200 0.102 0.000 3.995 690 E HA 0.313 4.663 4.350 -0.000 0.000 0.227 690 E C -0.666 176.003 176.600 0.115 0.000 0.888 690 E CA -0.950 55.515 56.400 0.108 0.000 1.376 690 E CB 0.492 30.260 29.700 0.113 0.000 1.869 690 E HN 0.554 nan 8.360 nan 0.000 0.399 691 N N 0.998 119.803 118.700 0.175 0.000 2.445 691 N HA 0.207 4.947 4.740 -0.000 0.000 0.264 691 N C -0.433 175.196 175.510 0.198 0.000 1.227 691 N CA -0.216 52.943 53.050 0.181 0.000 0.963 691 N CB 0.458 39.061 38.487 0.193 0.000 1.188 691 N HN 0.305 nan 8.380 nan 0.000 0.491 692 I N 0.758 121.404 120.570 0.127 0.000 2.648 692 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 692 I C 0.949 177.103 176.117 0.062 0.000 1.153 692 I CA 0.193 61.530 61.300 0.061 0.000 1.426 692 I CB 0.705 38.705 38.000 -0.001 0.000 1.381 692 I HN 0.637 nan 8.210 nan 0.000 0.571 693 A N 5.967 128.766 122.820 -0.036 0.000 2.197 693 A HA 0.401 4.720 4.320 -0.000 0.000 0.210 693 A C 0.888 178.615 177.584 0.238 0.000 1.180 693 A CA 0.506 52.467 52.037 -0.126 0.000 0.846 693 A CB -0.210 18.577 19.000 -0.355 0.000 0.884 693 A HN 0.746 nan 8.150 nan 0.000 0.487 694 G N -1.085 107.908 108.800 0.323 0.000 2.434 694 G HA2 0.528 4.488 3.960 -0.000 0.000 0.330 694 G HA3 0.528 4.488 3.960 -0.000 0.000 0.330 694 G C -1.068 173.999 174.900 0.280 0.000 1.155 694 G CA -0.112 45.258 45.100 0.450 0.000 0.917 694 G HN 0.748 nan 8.290 nan 0.000 0.493 695 V N 0.808 120.883 119.914 0.269 0.000 3.178 695 V HA 0.868 4.988 4.120 -0.000 0.000 0.302 695 V C -1.759 174.466 176.094 0.218 0.000 1.262 695 V CA -1.056 61.337 62.300 0.154 0.000 1.030 695 V CB 1.946 33.800 31.823 0.051 0.000 1.074 695 V HN 1.035 nan 8.190 nan 0.000 0.438 696 F N 1.710 121.688 119.950 0.047 0.000 2.601 696 F HA 0.661 5.188 4.527 -0.000 0.000 0.309 696 F C 0.043 175.787 175.800 -0.094 0.000 1.089 696 F CA -0.748 57.226 58.000 -0.043 0.000 0.940 696 F CB 1.399 40.527 39.000 0.213 0.000 1.273 696 F HN 0.616 nan 8.300 nan 0.000 0.450 697 N N 1.800 120.450 118.700 -0.083 0.000 2.721 697 N HA -0.263 4.477 4.740 -0.000 0.000 0.249 697 N C 0.130 175.544 175.510 -0.160 0.000 1.072 697 N CA 0.984 53.995 53.050 -0.065 0.000 0.710 697 N CB -0.515 38.064 38.487 0.154 0.000 0.993 697 N HN 0.768 nan 8.380 nan 0.000 0.547 698 K N -4.208 116.029 120.400 -0.270 0.000 3.376 698 K HA -0.274 4.045 4.320 -0.000 0.000 0.326 698 K C 1.168 177.526 176.600 -0.405 0.000 0.744 698 K CA 2.206 58.285 56.287 -0.346 0.000 1.436 698 K CB -2.001 30.293 32.500 -0.342 0.000 1.298 698 K HN 0.627 nan 8.250 nan 0.000 0.463 699 S N -1.248 114.244 115.700 -0.347 0.000 2.559 699 S HA 0.211 4.680 4.470 -0.000 0.000 0.226 699 S C 0.658 175.298 174.600 0.068 0.000 1.030 699 S CA 0.087 58.166 58.200 -0.201 0.000 0.956 699 S CB 0.630 63.550 63.200 -0.467 0.000 0.900 699 S HN 0.372 nan 8.310 nan 0.000 0.510 700 C N 2.879 122.079 119.300 -0.168 0.000 2.322 700 C HA 0.863 5.323 4.460 -0.000 0.000 0.324 700 C C 0.581 175.114 174.990 -0.762 0.000 1.284 700 C CA -0.578 58.147 59.018 -0.488 0.000 1.606 700 C CB 0.005 27.385 27.740 -0.600 0.000 2.251 700 C HN 0.692 nan 8.230 nan 0.000 0.502 701 A N 5.435 127.549 122.820 -1.177 0.000 2.302 701 A HA 0.804 5.124 4.320 -0.000 0.000 0.285 701 A C -0.645 176.725 177.584 -0.357 0.000 1.105 701 A CA -0.357 51.156 52.037 -0.872 0.000 0.816 701 A CB 0.493 18.676 19.000 -1.361 0.000 1.067 701 A HN 1.050 nan 8.150 nan 0.000 0.489 702 I N 0.315 120.788 120.570 -0.161 0.000 2.752 702 I HA 0.344 4.514 4.170 -0.000 0.000 0.295 702 I C -0.428 175.573 176.117 -0.192 0.000 1.219 702 I CA -0.206 60.982 61.300 -0.187 0.000 1.030 702 I CB 2.248 40.131 38.000 -0.195 0.000 1.259 702 I HN 0.557 nan 8.210 nan 0.000 0.423 703 S N 5.653 121.193 115.700 -0.266 0.000 2.523 703 S HA 0.358 4.828 4.470 -0.000 0.000 0.275 703 S C -1.052 173.422 174.600 -0.211 0.000 1.281 703 S CA 0.001 58.108 58.200 -0.156 0.000 1.050 703 S CB 0.307 63.438 63.200 -0.115 0.000 0.937 703 S HN 0.395 nan 8.310 nan 0.000 0.492 704 Y N 1.976 122.239 120.300 -0.063 0.000 2.854 704 Y HA 0.206 4.756 4.550 -0.000 0.000 0.330 704 Y C 1.687 177.526 175.900 -0.103 0.000 1.037 704 Y CA -0.611 57.375 58.100 -0.191 0.000 1.263 704 Y CB 0.325 38.194 38.460 -0.985 0.000 1.120 704 Y HN 0.676 nan 8.280 nan 0.000 0.532 705 T N -0.362 114.260 114.554 0.113 0.000 2.699 705 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 705 T C 1.961 176.826 174.700 0.275 0.000 1.036 705 T CA 2.167 64.373 62.100 0.176 0.000 1.147 705 T CB 0.011 68.971 68.868 0.153 0.000 0.862 705 T HN 0.470 nan 8.240 nan 0.000 0.446 706 S N -0.150 115.735 115.700 0.309 0.000 2.522 706 S HA 0.030 4.500 4.470 -0.000 0.000 0.227 706 S C 1.470 176.265 174.600 0.326 0.000 0.986 706 S CA 0.035 58.414 58.200 0.298 0.000 0.929 706 S CB -0.290 63.095 63.200 0.309 0.000 0.769 706 S HN 0.456 nan 8.310 nan 0.000 0.529 707 Y N 2.659 123.141 120.300 0.302 0.000 2.207 707 Y HA -0.153 4.397 4.550 -0.000 0.000 0.287 707 Y C 2.382 178.377 175.900 0.158 0.000 1.156 707 Y CA 0.876 59.205 58.100 0.382 0.000 1.182 707 Y CB -0.783 37.972 38.460 0.491 0.000 0.979 707 Y HN 0.421 nan 8.280 nan 0.000 0.521 708 R N -0.072 120.593 120.500 0.275 0.000 2.237 708 R HA -0.065 4.275 4.340 -0.000 0.000 0.219 708 R C 1.217 177.525 176.300 0.014 0.000 1.080 708 R CA 1.399 57.573 56.100 0.123 0.000 0.995 708 R CB -0.273 30.145 30.300 0.197 0.000 0.875 708 R HN 0.296 nan 8.270 nan 0.000 0.462 709 N N 0.810 119.479 118.700 -0.050 0.000 2.508 709 N HA 0.103 4.843 4.740 -0.000 0.000 0.186 709 N C 1.953 177.178 175.510 -0.474 0.000 1.034 709 N CA 0.550 53.487 53.050 -0.187 0.000 0.885 709 N CB 0.078 38.314 38.487 -0.417 0.000 1.135 709 N HN 0.117 nan 8.380 nan 0.000 0.435 710 I N 1.017 121.222 120.570 -0.609 0.000 2.127 710 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 710 I C 1.874 177.641 176.117 -0.583 0.000 1.075 710 I CA 1.509 62.401 61.300 -0.682 0.000 1.334 710 I CB -0.314 37.275 38.000 -0.685 0.000 1.040 710 I HN -0.034 nan 8.210 nan 0.000 0.405 711 F N 0.333 120.106 119.950 -0.296 0.000 2.134 711 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 711 F C -0.346 175.199 175.800 -0.425 0.000 1.097 711 F CA 1.311 59.093 58.000 -0.364 0.000 1.264 711 F CB -1.915 36.772 39.000 -0.521 0.000 1.001 711 F HN 0.102 nan 8.300 nan 0.000 0.479 712 P HA -0.107 nan 4.420 nan 0.000 0.217 712 P C 1.720 178.766 177.300 -0.424 0.000 1.151 712 P CA 1.423 64.098 63.100 -0.708 0.000 0.828 712 P CB -0.027 30.594 31.700 -1.798 0.000 0.788 713 I N -1.923 118.439 120.570 -0.347 0.000 2.163 713 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 713 I C 2.382 178.476 176.117 -0.038 0.000 1.085 713 I CA 1.357 62.582 61.300 -0.125 0.000 1.347 713 I CB -0.680 37.226 38.000 -0.156 0.000 1.044 713 I HN 0.073 nan 8.210 nan 0.000 0.408 714 W N 1.785 122.912 121.300 -0.287 0.000 2.379 714 W HA -0.155 4.505 4.660 -0.000 0.000 0.307 714 W C 2.639 179.075 176.519 -0.138 0.000 1.200 714 W CA 1.754 58.958 57.345 -0.236 0.000 1.297 714 W CB -0.627 28.617 29.460 -0.360 0.000 1.140 714 W HN 0.126 nan 8.180 nan 0.000 0.507 715 A N 0.097 122.959 122.820 0.070 0.000 1.873 715 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 715 A C 2.275 179.908 177.584 0.083 0.000 1.186 715 A CA 1.730 53.757 52.037 -0.017 0.000 0.616 715 A CB -1.063 17.848 19.000 -0.149 0.000 0.823 715 A HN 0.268 nan 8.150 nan 0.000 0.442 716 L N -0.721 120.535 121.223 0.056 0.000 2.093 716 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 716 L C 2.826 179.823 176.870 0.212 0.000 1.085 716 L CA 0.994 55.909 54.840 0.126 0.000 0.755 716 L CB -0.781 41.332 42.059 0.090 0.000 0.904 716 L HN 0.495 nan 8.230 nan 0.000 0.435 717 G N -0.164 108.739 108.800 0.171 0.000 2.421 717 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 717 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 717 G C 1.726 176.757 174.900 0.218 0.000 1.171 717 G CA 0.725 45.941 45.100 0.192 0.000 0.775 717 G HN 0.257 nan 8.290 nan 0.000 0.543 718 R N -0.687 119.947 120.500 0.223 0.000 2.081 718 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 718 R C 2.255 178.650 176.300 0.157 0.000 1.131 718 R CA 1.507 57.716 56.100 0.182 0.000 0.960 718 R CB -0.485 29.909 30.300 0.156 0.000 0.856 718 R HN 0.350 nan 8.270 nan 0.000 0.436 719 F N 1.184 121.200 119.950 0.110 0.000 2.134 719 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 719 F C 2.526 178.435 175.800 0.181 0.000 1.097 719 F CA 1.866 59.977 58.000 0.184 0.000 1.264 719 F CB -0.436 38.693 39.000 0.214 0.000 1.001 719 F HN 0.149 nan 8.300 nan 0.000 0.479 720 S N -0.470 115.460 115.700 0.382 0.000 2.423 720 S HA -0.211 4.259 4.470 -0.000 0.000 0.231 720 S C 1.875 176.555 174.600 0.134 0.000 1.014 720 S CA 1.250 59.632 58.200 0.303 0.000 0.965 720 S CB -0.624 62.814 63.200 0.396 0.000 0.785 720 S HN 0.661 nan 8.310 nan 0.000 0.495 721 Q N 0.310 120.161 119.800 0.084 0.000 2.096 721 Q HA 0.161 4.501 4.340 -0.000 0.000 0.197 721 Q C 2.270 178.197 176.000 -0.122 0.000 0.964 721 Q CA 1.230 57.047 55.803 0.025 0.000 0.838 721 Q CB -0.229 28.544 28.738 0.059 0.000 0.906 721 Q HN 0.564 nan 8.270 nan 0.000 0.444 722 L N -0.801 120.235 121.223 -0.312 0.000 2.156 722 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 722 L C 0.455 176.834 176.870 -0.818 0.000 1.095 722 L CA 0.938 55.385 54.840 -0.656 0.000 0.770 722 L CB 0.093 41.510 42.059 -1.071 0.000 0.914 722 L HN 0.234 nan 8.230 nan 0.000 0.439 723 Y N -1.020 119.111 120.300 -0.281 0.000 2.525 723 Y HA 0.240 4.790 4.550 -0.000 0.000 0.365 723 Y C -1.531 174.289 175.900 -0.133 0.000 0.929 723 Y CA -1.789 56.148 58.100 -0.271 0.000 1.196 723 Y CB -0.009 38.128 38.460 -0.539 0.000 1.232 723 Y HN -0.015 nan 8.280 nan 0.000 0.613 724 P HA -0.223 nan 4.420 nan 0.000 0.225 724 P C 1.087 178.452 177.300 0.109 0.000 1.148 724 P CA 1.493 64.636 63.100 0.072 0.000 0.779 724 P CB 0.484 32.213 31.700 0.048 0.000 0.780 725 E N 0.545 120.805 120.200 0.099 0.000 2.285 725 E HA -0.074 4.275 4.350 -0.000 0.000 0.194 725 E C 0.699 177.361 176.600 0.103 0.000 0.997 725 E CA 0.388 56.850 56.400 0.103 0.000 0.845 725 E CB -0.450 29.298 29.700 0.080 0.000 0.782 725 E HN 0.260 nan 8.360 nan 0.000 0.491 726 R N 0.589 121.151 120.500 0.104 0.000 2.390 726 R HA 0.388 4.728 4.340 -0.000 0.000 0.291 726 R C 1.136 177.487 176.300 0.086 0.000 1.070 726 R CA 0.421 56.581 56.100 0.100 0.000 1.014 726 R CB 1.052 31.426 30.300 0.124 0.000 1.007 726 R HN 0.138 nan 8.270 nan 0.000 0.466 727 A N 3.464 126.322 122.820 0.063 0.000 1.917 727 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 727 A C 1.908 179.514 177.584 0.037 0.000 1.182 727 A CA 1.380 53.428 52.037 0.019 0.000 0.633 727 A CB -0.327 18.693 19.000 0.034 0.000 0.819 727 A HN 0.638 nan 8.150 nan 0.000 0.448 728 L N -0.563 120.730 121.223 0.117 0.000 2.275 728 L HA -0.002 4.338 4.340 -0.000 0.000 0.215 728 L C 2.586 179.606 176.870 0.250 0.000 1.119 728 L CA 1.706 56.634 54.840 0.147 0.000 0.790 728 L CB -0.528 41.599 42.059 0.113 0.000 0.919 728 L HN 0.349 nan 8.230 nan 0.000 0.443 729 A N -0.597 122.437 122.820 0.356 0.000 2.015 729 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 729 A C 1.857 179.573 177.584 0.220 0.000 1.163 729 A CA 1.011 53.291 52.037 0.406 0.000 0.646 729 A CB -1.000 18.177 19.000 0.295 0.000 0.806 729 A HN 0.830 nan 8.150 nan 0.000 0.448 730 G N -1.355 107.447 108.800 0.004 0.000 2.160 730 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 730 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 730 G C 0.102 174.837 174.900 -0.275 0.000 1.022 730 G CA 0.452 45.475 45.100 -0.129 0.000 0.741 730 G HN 1.642 nan 8.290 nan 0.000 0.508 731 H N -1.938 117.154 119.070 0.038 0.000 2.983 731 H HA -0.095 4.461 4.556 -0.000 0.000 0.327 731 H C -1.070 174.158 175.328 -0.166 0.000 1.031 731 H CA 0.160 56.169 56.048 -0.064 0.000 1.053 731 H CB -1.556 28.135 29.762 -0.118 0.000 1.609 731 H HN 0.609 nan 8.280 nan 0.000 0.369 732 P HA 0.000 nan 4.420 nan 0.000 0.216 732 P CA 0.000 63.173 63.100 0.121 0.000 0.800 732 P CB 0.000 31.782 31.700 0.137 0.000 0.726