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 1cwy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MELPRAFGLL LHPTSLPGPY GVGVLGREAR DFLRFLKEAG GRYWQVLPLG DATA SEQUENCE PTGYGDSPYQ SFSAFAGNPY LIDLRPLAER GYVRLEDPGF PQGRVDYGLL DATA SEQUENCE YAWKWPALKE AFRGFKEKAS PEEREAFAAF REREAWWLED YALFMALKGA DATA SEQUENCE HGGLPWNRWP LPLRKREEKA LREAKSALAE EVAFHAFTQW LFFRQWGALK DATA SEQUENCE AEAEALGIRI IGDMPIFVAE DSAEVWAHPE WFHLDEEGRP TVVAGVPPDY DATA SEQUENCE FSETGQRWGN PLYRWDVLER EGFSFWIRRL EKALELFHLV RIDHFRGFEA DATA SEQUENCE YWEIPASCPT AVEGRWVKAP GEKLFQKIQE VFGEVPVLAE DLGVITPEVE DATA SEQUENCE ALRDRFGLPG MKVLQFAFDD GMENPFLPHN YPAHGRVVVY TGTHDNDTTL DATA SEQUENCE GWYRTATPHE KAFMARYLAD WGITFREEEE VPWALMHLGM KSVARLAVYP DATA SEQUENCE VQDVLALGSE ARMNYPGRPS GNWAWRLLPG ELSPEHGARL RAMAEATERL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 E N 2.544 122.754 120.200 0.017 0.000 2.081 2 E HA 0.554 4.905 4.350 0.001 0.000 0.281 2 E C -1.511 175.111 176.600 0.037 0.000 0.986 2 E CA -0.240 56.173 56.400 0.021 0.000 0.796 2 E CB 1.370 31.086 29.700 0.026 0.000 1.085 2 E HN 0.626 nan 8.360 nan 0.000 0.398 3 L N 6.475 127.714 121.223 0.027 0.000 2.272 3 L HA 0.361 4.702 4.340 0.001 0.000 0.289 3 L C -1.850 175.047 176.870 0.046 0.000 1.032 3 L CA -1.833 53.026 54.840 0.032 0.000 0.810 3 L CB 1.501 43.543 42.059 -0.028 0.000 1.205 3 L HN 0.211 nan 8.230 nan 0.000 0.422 4 P HA 0.054 nan 4.420 nan 0.000 0.272 4 P C -0.843 176.501 177.300 0.073 0.000 1.240 4 P CA -0.643 62.505 63.100 0.080 0.000 0.791 4 P CB 0.831 32.590 31.700 0.100 0.000 0.978 5 R N 0.955 121.497 120.500 0.071 0.000 2.296 5 R HA 0.522 4.863 4.340 0.001 0.000 0.323 5 R C -0.423 175.937 176.300 0.100 0.000 1.067 5 R CA 0.060 56.204 56.100 0.073 0.000 0.946 5 R CB -0.413 29.933 30.300 0.077 0.000 0.991 5 R HN 0.682 nan 8.270 nan 0.000 0.448 6 A N 4.009 126.890 122.820 0.103 0.000 2.506 6 A HA 0.621 4.941 4.320 0.001 0.000 0.305 6 A C -1.694 176.000 177.584 0.183 0.000 1.166 6 A CA -0.745 51.387 52.037 0.158 0.000 0.638 6 A CB 0.851 19.962 19.000 0.185 0.000 1.336 6 A HN 0.681 nan 8.150 nan 0.000 0.493 7 F N -1.664 118.318 119.950 0.053 0.000 2.643 7 F HA 0.923 5.450 4.527 0.001 0.000 0.314 7 F C -0.056 175.784 175.800 0.068 0.000 1.096 7 F CA -0.123 57.864 58.000 -0.021 0.000 0.953 7 F CB 1.312 40.301 39.000 -0.018 0.000 1.345 7 F HN 1.333 nan 8.300 nan 0.000 0.468 8 G N 1.111 109.921 108.800 0.016 0.000 2.687 8 G HA2 0.643 4.604 3.960 0.001 0.000 0.291 8 G HA3 0.643 4.604 3.960 0.001 0.000 0.291 8 G C -2.460 172.580 174.900 0.232 0.000 1.420 8 G CA -1.121 43.985 45.100 0.009 0.000 0.796 8 G HN 0.837 nan 8.290 nan 0.000 0.485 9 L N -0.131 121.293 121.223 0.335 0.000 2.370 9 L HA 0.593 4.933 4.340 0.001 0.000 0.266 9 L C -1.060 176.128 176.870 0.530 0.000 1.002 9 L CA -1.015 54.101 54.840 0.460 0.000 0.818 9 L CB 2.274 44.694 42.059 0.601 0.000 1.325 9 L HN 0.451 nan 8.230 nan 0.000 0.418 10 L N 3.902 125.388 121.223 0.439 0.000 2.272 10 L HA 0.686 5.027 4.340 0.001 0.000 0.289 10 L C -1.224 175.888 176.870 0.404 0.000 1.032 10 L CA -0.206 54.872 54.840 0.397 0.000 0.810 10 L CB 1.272 43.524 42.059 0.322 0.000 1.205 10 L HN 0.513 nan 8.230 nan 0.000 0.422 11 L N 4.961 126.461 121.223 0.462 0.000 2.661 11 L HA 0.396 4.736 4.340 0.001 0.000 0.263 11 L C -1.278 175.862 176.870 0.449 0.000 0.956 11 L CA -0.352 54.720 54.840 0.386 0.000 0.918 11 L CB 1.119 43.215 42.059 0.061 0.000 1.280 11 L HN 0.733 nan 8.230 nan 0.000 0.416 12 H N 6.106 125.325 119.070 0.249 0.000 2.732 12 H HA 0.342 4.899 4.556 0.001 0.000 0.351 12 H C -1.962 173.503 175.328 0.229 0.000 1.090 12 H CA -1.288 54.877 56.048 0.194 0.000 1.431 12 H CB 1.410 31.280 29.762 0.180 0.000 1.447 12 H HN 0.434 nan 8.280 nan 0.000 0.582 13 P HA -0.197 nan 4.420 nan 0.000 0.217 13 P C 1.275 178.554 177.300 -0.035 0.000 1.148 13 P CA 2.409 65.533 63.100 0.041 0.000 0.828 13 P CB 0.068 31.818 31.700 0.083 0.000 0.783 14 T N -4.538 109.968 114.554 -0.080 0.000 2.881 14 T HA -0.084 4.266 4.350 0.001 0.000 0.270 14 T C 1.783 176.470 174.700 -0.022 0.000 1.068 14 T CA 1.466 63.579 62.100 0.021 0.000 1.131 14 T CB -1.180 67.808 68.868 0.200 0.000 0.871 14 T HN -0.027 nan 8.240 nan 0.000 0.479 15 S N 0.828 116.533 115.700 0.009 0.000 2.561 15 S HA 0.308 4.779 4.470 0.001 0.000 0.225 15 S C 0.740 175.164 174.600 -0.294 0.000 0.977 15 S CA -0.159 57.949 58.200 -0.154 0.000 0.926 15 S CB -0.539 62.672 63.200 0.018 0.000 0.769 15 S HN 0.475 nan 8.310 nan 0.000 0.533 16 L N 3.242 124.348 121.223 -0.194 0.000 2.461 16 L HA 0.175 4.516 4.340 0.001 0.000 0.272 16 L C -1.815 174.921 176.870 -0.223 0.000 1.197 16 L CA -1.603 53.108 54.840 -0.214 0.000 0.836 16 L CB 0.119 42.094 42.059 -0.139 0.000 1.105 16 L HN 0.038 nan 8.230 nan 0.000 0.477 17 P HA 0.412 nan 4.420 nan 0.000 0.276 17 P C -0.362 176.844 177.300 -0.156 0.000 1.261 17 P CA -0.086 62.897 63.100 -0.194 0.000 0.800 17 P CB 1.531 33.132 31.700 -0.166 0.000 1.066 18 G N -0.169 108.534 108.800 -0.161 0.000 2.347 18 G HA2 0.201 4.162 3.960 0.001 0.000 0.321 18 G HA3 0.201 4.162 3.960 0.001 0.000 0.321 18 G C -3.278 171.495 174.900 -0.211 0.000 1.412 18 G CA -0.842 44.166 45.100 -0.154 0.000 0.990 18 G HN 0.549 nan 8.290 nan 0.000 0.637 19 P HA 0.459 nan 4.420 nan 0.000 0.276 19 P C -0.393 176.626 177.300 -0.468 0.000 1.261 19 P CA 0.011 62.803 63.100 -0.513 0.000 0.800 19 P CB 0.326 31.528 31.700 -0.830 0.000 1.066 20 Y N -1.496 118.694 120.300 -0.183 0.000 4.234 20 Y HA -0.184 4.367 4.550 0.001 0.000 0.239 20 Y C 1.429 176.676 175.900 -1.088 0.000 1.197 20 Y CA 0.337 58.201 58.100 -0.393 0.000 2.027 20 Y CB -2.494 35.923 38.460 -0.072 0.000 1.619 20 Y HN 0.789 nan 8.280 nan 0.000 0.704 21 G N -1.132 107.006 108.800 -1.103 0.000 2.189 21 G HA2 -0.185 3.775 3.960 0.001 0.000 0.267 21 G HA3 -0.185 3.775 3.960 0.001 0.000 0.267 21 G C -0.132 174.354 174.900 -0.690 0.000 0.975 21 G CA 0.455 44.760 45.100 -1.324 0.000 0.644 21 G HN 1.325 nan 8.290 nan 0.000 0.537 22 V N -0.884 118.758 119.914 -0.453 0.000 3.108 22 V HA 0.700 4.820 4.120 0.001 0.000 0.287 22 V C 0.519 176.506 176.094 -0.177 0.000 1.436 22 V CA 0.232 62.353 62.300 -0.298 0.000 1.001 22 V CB 1.707 33.355 31.823 -0.291 0.000 1.141 22 V HN 1.410 nan 8.190 nan 0.000 0.443 23 G N 3.105 111.821 108.800 -0.140 0.000 2.441 23 G HA2 0.542 4.502 3.960 0.001 0.000 0.243 23 G HA3 0.542 4.502 3.960 0.001 0.000 0.243 23 G C -0.283 174.595 174.900 -0.036 0.000 1.281 23 G CA 0.509 45.552 45.100 -0.094 0.000 0.854 23 G HN 1.660 nan 8.290 nan 0.000 0.560 24 V N 0.140 120.045 119.914 -0.016 0.000 3.167 24 V HA 0.593 4.713 4.120 0.001 0.000 0.310 24 V C 0.304 176.406 176.094 0.013 0.000 1.207 24 V CA -1.313 60.996 62.300 0.014 0.000 1.059 24 V CB 1.746 33.580 31.823 0.018 0.000 1.079 24 V HN 0.582 nan 8.190 nan 0.000 0.446 25 L N 2.214 123.439 121.223 0.002 0.000 2.437 25 L HA 0.637 4.978 4.340 0.001 0.000 0.243 25 L C 0.819 177.645 176.870 -0.073 0.000 1.346 25 L CA 0.639 55.458 54.840 -0.036 0.000 1.233 25 L CB -1.145 40.864 42.059 -0.085 0.000 1.436 25 L HN 1.019 nan 8.230 nan 0.000 0.416 26 G N -0.186 108.581 108.800 -0.055 0.000 3.247 26 G HA2 0.225 4.185 3.960 0.001 0.000 0.199 26 G HA3 0.225 4.185 3.960 0.001 0.000 0.199 26 G C 0.505 175.370 174.900 -0.058 0.000 1.172 26 G CA -0.509 44.557 45.100 -0.056 0.000 0.844 26 G HN 0.256 nan 8.290 nan 0.000 0.619 27 R N -0.052 120.421 120.500 -0.045 0.000 2.105 27 R HA -0.083 4.258 4.340 0.001 0.000 0.239 27 R C 2.289 178.562 176.300 -0.045 0.000 1.135 27 R CA 2.130 58.203 56.100 -0.044 0.000 0.967 27 R CB -0.221 30.060 30.300 -0.032 0.000 0.861 27 R HN 0.521 nan 8.270 nan 0.000 0.442 28 E N 0.107 120.280 120.200 -0.045 0.000 2.110 28 E HA -0.137 4.213 4.350 0.001 0.000 0.193 28 E C 1.793 178.365 176.600 -0.046 0.000 0.988 28 E CA 1.401 57.772 56.400 -0.047 0.000 0.804 28 E CB -0.184 29.477 29.700 -0.065 0.000 0.745 28 E HN 0.452 nan 8.360 nan 0.000 0.458 29 A N 0.976 123.758 122.820 -0.065 0.000 1.898 29 A HA -0.173 4.148 4.320 0.001 0.000 0.216 29 A C 2.019 179.530 177.584 -0.122 0.000 1.181 29 A CA 1.377 53.353 52.037 -0.101 0.000 0.620 29 A CB -0.290 18.659 19.000 -0.085 0.000 0.819 29 A HN 0.076 nan 8.150 nan 0.000 0.442 30 R N -0.415 120.026 120.500 -0.098 0.000 2.092 30 R HA -0.090 4.250 4.340 0.001 0.000 0.231 30 R C 1.428 177.684 176.300 -0.073 0.000 1.119 30 R CA 1.274 57.315 56.100 -0.100 0.000 0.970 30 R CB -0.377 29.874 30.300 -0.082 0.000 0.864 30 R HN 0.446 nan 8.270 nan 0.000 0.440 31 D N 0.424 120.803 120.400 -0.035 0.000 2.117 31 D HA -0.175 4.466 4.640 0.001 0.000 0.197 31 D C 1.527 177.846 176.300 0.032 0.000 0.987 31 D CA 1.004 55.004 54.000 0.000 0.000 0.829 31 D CB -0.225 40.582 40.800 0.011 0.000 0.961 31 D HN 0.071 nan 8.370 nan 0.000 0.460 32 F N 1.331 121.200 119.950 -0.136 0.000 2.134 32 F HA -0.094 4.433 4.527 0.001 0.000 0.299 32 F C 2.113 177.832 175.800 -0.135 0.000 1.097 32 F CA 0.997 58.906 58.000 -0.150 0.000 1.264 32 F CB -0.383 38.427 39.000 -0.316 0.000 1.001 32 F HN -0.113 nan 8.300 nan 0.000 0.479 33 L N -0.135 120.890 121.223 -0.330 0.000 2.046 33 L HA -0.223 4.117 4.340 0.001 0.000 0.208 33 L C 2.669 179.379 176.870 -0.267 0.000 1.077 33 L CA 1.489 56.104 54.840 -0.375 0.000 0.747 33 L CB -0.662 41.248 42.059 -0.249 0.000 0.896 33 L HN 0.051 nan 8.230 nan 0.000 0.432 34 R N -0.810 119.596 120.500 -0.156 0.000 2.096 34 R HA -0.183 4.157 4.340 0.001 0.000 0.235 34 R C 2.285 178.527 176.300 -0.096 0.000 1.127 34 R CA 1.609 57.646 56.100 -0.104 0.000 0.968 34 R CB -0.428 29.841 30.300 -0.051 0.000 0.861 34 R HN 0.240 nan 8.270 nan 0.000 0.440 35 F N 1.330 121.152 119.950 -0.214 0.000 2.102 35 F HA -0.200 4.327 4.527 0.001 0.000 0.298 35 F C 1.988 177.656 175.800 -0.220 0.000 1.105 35 F CA 1.183 59.081 58.000 -0.171 0.000 1.239 35 F CB -0.316 38.598 39.000 -0.143 0.000 0.991 35 F HN -0.074 nan 8.300 nan 0.000 0.474 36 L N 1.146 122.148 121.223 -0.368 0.000 2.042 36 L HA -0.181 4.159 4.340 0.001 0.000 0.210 36 L C 2.400 179.059 176.870 -0.352 0.000 1.076 36 L CA 2.202 56.787 54.840 -0.424 0.000 0.749 36 L CB -1.072 40.676 42.059 -0.518 0.000 0.893 36 L HN 0.188 nan 8.230 nan 0.000 0.432 37 K N -0.223 120.005 120.400 -0.288 0.000 2.026 37 K HA -0.166 4.154 4.320 0.001 0.000 0.208 37 K C 1.976 178.461 176.600 -0.192 0.000 1.048 37 K CA 1.652 57.810 56.287 -0.214 0.000 0.929 37 K CB -0.303 32.097 32.500 -0.166 0.000 0.713 37 K HN 0.342 nan 8.250 nan 0.000 0.439 38 E N -0.072 119.998 120.200 -0.218 0.000 2.153 38 E HA -0.130 4.220 4.350 0.001 0.000 0.194 38 E C 1.697 178.176 176.600 -0.202 0.000 0.988 38 E CA 1.246 57.533 56.400 -0.189 0.000 0.811 38 E CB -0.210 29.377 29.700 -0.188 0.000 0.746 38 E HN 0.451 nan 8.360 nan 0.000 0.466 39 A N -0.157 122.480 122.820 -0.304 0.000 2.208 39 A HA 0.268 4.588 4.320 0.001 0.000 0.209 39 A C 1.731 179.390 177.584 0.125 0.000 1.161 39 A CA 1.080 53.028 52.037 -0.148 0.000 0.782 39 A CB -0.131 18.708 19.000 -0.269 0.000 0.816 39 A HN 0.283 nan 8.150 nan 0.000 0.477 40 G N -1.790 107.007 108.800 -0.005 0.000 2.157 40 G HA2 -0.065 3.896 3.960 0.001 0.000 0.248 40 G HA3 -0.065 3.896 3.960 0.001 0.000 0.248 40 G C 0.705 175.483 174.900 -0.204 0.000 0.979 40 G CA 0.277 45.398 45.100 0.035 0.000 0.650 40 G HN 1.409 nan 8.290 nan 0.000 0.529 41 G N -0.833 107.636 108.800 -0.551 0.000 2.483 41 G HA2 0.505 4.466 3.960 0.001 0.000 0.248 41 G HA3 0.505 4.466 3.960 0.001 0.000 0.248 41 G C 0.624 175.201 174.900 -0.538 0.000 1.248 41 G CA -0.218 44.194 45.100 -1.147 0.000 0.838 41 G HN 0.393 nan 8.290 nan 0.000 0.566 42 R N 0.274 120.516 120.500 -0.430 0.000 2.476 42 R HA 0.173 4.514 4.340 0.001 0.000 0.276 42 R C -0.846 175.169 176.300 -0.475 0.000 0.941 42 R CA 0.016 55.907 56.100 -0.348 0.000 1.088 42 R CB 0.670 30.793 30.300 -0.295 0.000 1.216 42 R HN 0.575 nan 8.270 nan 0.000 0.533 43 Y N -0.979 119.243 120.300 -0.130 0.000 2.457 43 Y HA 0.295 4.845 4.550 0.001 0.000 0.343 43 Y C -0.954 175.055 175.900 0.182 0.000 0.994 43 Y CA -1.372 56.743 58.100 0.026 0.000 1.031 43 Y CB 1.539 39.998 38.460 -0.001 0.000 1.246 43 Y HN -0.020 nan 8.280 nan 0.000 0.449 44 W N 5.344 126.772 121.300 0.213 0.000 2.475 44 W HA 0.577 5.237 4.660 0.001 0.000 0.320 44 W C -1.435 175.258 176.519 0.290 0.000 1.022 44 W CA -1.333 56.177 57.345 0.274 0.000 1.240 44 W CB 1.448 31.082 29.460 0.290 0.000 1.328 44 W HN 0.557 nan 8.180 nan 0.000 0.439 45 Q N 5.050 124.984 119.800 0.225 0.000 2.282 45 Q HA 0.644 4.984 4.340 0.001 0.000 0.260 45 Q C -0.732 175.165 176.000 -0.172 0.000 0.964 45 Q CA -0.594 55.202 55.803 -0.012 0.000 0.880 45 Q CB 1.945 30.766 28.738 0.139 0.000 1.286 45 Q HN 0.504 nan 8.270 nan 0.000 0.445 46 V N 0.995 120.730 119.914 -0.299 0.000 3.158 46 V HA 0.652 4.772 4.120 0.001 0.000 0.315 46 V C -0.495 175.517 176.094 -0.137 0.000 1.148 46 V CA -1.044 61.150 62.300 -0.176 0.000 1.042 46 V CB 1.344 32.985 31.823 -0.303 0.000 1.101 46 V HN 0.789 nan 8.190 nan 0.000 0.448 47 L N -0.207 121.010 121.223 -0.011 0.000 2.440 47 L HA 0.606 4.947 4.340 0.001 0.000 0.262 47 L C -2.323 174.325 176.870 -0.370 0.000 1.072 47 L CA -2.154 52.459 54.840 -0.380 0.000 0.798 47 L CB 0.888 42.484 42.059 -0.771 0.000 1.307 47 L HN 0.387 nan 8.230 nan 0.000 0.475 48 P HA -0.003 nan 4.420 nan 0.000 0.265 48 P C -0.073 177.068 177.300 -0.266 0.000 1.187 48 P CA 0.470 63.278 63.100 -0.486 0.000 0.766 48 P CB 0.331 31.609 31.700 -0.704 0.000 0.820 49 L N 1.612 122.708 121.223 -0.211 0.000 2.818 49 L HA 0.294 4.634 4.340 0.001 0.000 0.243 49 L C 1.358 178.007 176.870 -0.369 0.000 1.185 49 L CA -0.215 54.503 54.840 -0.204 0.000 0.988 49 L CB -0.184 41.760 42.059 -0.192 0.000 1.292 49 L HN 0.447 nan 8.230 nan 0.000 0.519 50 G N 0.872 109.464 108.800 -0.348 0.000 2.580 50 G HA2 0.355 4.315 3.960 0.001 0.000 0.278 50 G HA3 0.355 4.315 3.960 0.001 0.000 0.278 50 G C -2.508 172.231 174.900 -0.268 0.000 1.212 50 G CA -0.965 43.916 45.100 -0.364 0.000 0.939 50 G HN -0.121 nan 8.290 nan 0.000 0.513 51 P HA 0.163 nan 4.420 nan 0.000 0.271 51 P C 0.045 177.327 177.300 -0.030 0.000 1.216 51 P CA 0.129 63.229 63.100 0.000 0.000 0.776 51 P CB 1.006 32.880 31.700 0.290 0.000 0.881 52 T N -0.218 114.309 114.554 -0.044 0.000 2.940 52 T HA 0.755 5.105 4.350 0.001 0.000 0.288 52 T C 0.400 175.017 174.700 -0.137 0.000 1.033 52 T CA -0.677 61.311 62.100 -0.187 0.000 1.033 52 T CB 1.847 70.627 68.868 -0.146 0.000 1.079 52 T HN 0.467 nan 8.240 nan 0.000 0.496 53 G N -0.409 108.176 108.800 -0.358 0.000 3.211 53 G HA2 0.467 4.427 3.960 0.001 0.000 0.167 53 G HA3 0.467 4.427 3.960 0.001 0.000 0.167 53 G C -1.199 173.739 174.900 0.064 0.000 1.212 53 G CA -1.057 43.984 45.100 -0.098 0.000 0.928 53 G HN 0.795 nan 8.290 nan 0.000 0.607 54 Y N 0.964 121.278 120.300 0.024 0.000 2.717 54 Y HA 0.313 4.864 4.550 0.001 0.000 0.330 54 Y C 1.414 177.311 175.900 -0.006 0.000 1.217 54 Y CA 1.731 59.846 58.100 0.025 0.000 1.506 54 Y CB 0.538 39.022 38.460 0.039 0.000 1.268 54 Y HN 1.223 nan 8.280 nan 0.000 0.561 55 G N 3.424 111.902 108.800 -0.537 0.000 2.254 55 G HA2 -0.289 3.671 3.960 0.001 0.000 0.225 55 G HA3 -0.289 3.671 3.960 0.001 0.000 0.225 55 G C 0.358 175.148 174.900 -0.183 0.000 1.003 55 G CA 0.070 44.957 45.100 -0.355 0.000 0.622 55 G HN 0.823 nan 8.290 nan 0.000 0.507 56 D N -0.377 119.862 120.400 -0.269 0.000 3.077 56 D HA -0.184 4.457 4.640 0.001 0.000 0.217 56 D C 0.594 176.533 176.300 -0.602 0.000 1.162 56 D CA 1.676 55.408 54.000 -0.446 0.000 0.943 56 D CB -1.632 38.604 40.800 -0.939 0.000 1.122 56 D HN 1.081 nan 8.370 nan 0.000 0.413 57 S N 1.233 116.591 115.700 -0.570 0.000 2.510 57 S HA 0.249 4.720 4.470 0.001 0.000 0.279 57 S C -0.918 173.187 174.600 -0.824 0.000 1.284 57 S CA -1.045 56.552 58.200 -1.006 0.000 1.059 57 S CB 1.476 64.466 63.200 -0.349 0.000 0.901 57 S HN -0.054 nan 8.310 nan 0.000 0.491 58 P HA -0.031 nan 4.420 nan 0.000 0.233 58 P C 0.188 177.031 177.300 -0.762 0.000 1.167 58 P CA 0.840 63.461 63.100 -0.797 0.000 0.770 58 P CB -0.097 31.056 31.700 -0.912 0.000 0.837 59 Y N 0.087 120.077 120.300 -0.516 0.000 2.490 59 Y HA 0.170 4.721 4.550 0.001 0.000 0.281 59 Y C 1.100 176.860 175.900 -0.232 0.000 1.174 59 Y CA 0.354 58.266 58.100 -0.313 0.000 1.295 59 Y CB -0.005 38.307 38.460 -0.247 0.000 1.062 59 Y HN 0.029 nan 8.280 nan 0.000 0.522 60 Q N -0.003 119.686 119.800 -0.184 0.000 3.244 60 Q HA 0.261 4.601 4.340 0.001 0.000 0.249 60 Q C -0.591 175.256 176.000 -0.255 0.000 0.951 60 Q CA -0.268 55.442 55.803 -0.155 0.000 0.740 60 Q CB 1.597 30.264 28.738 -0.118 0.000 1.334 60 Q HN 0.037 nan 8.270 nan 0.000 0.448 61 S N -0.005 115.560 115.700 -0.225 0.000 2.617 61 S HA 0.433 4.903 4.470 0.001 0.000 0.283 61 S C 0.443 174.963 174.600 -0.134 0.000 1.189 61 S CA -0.527 57.529 58.200 -0.239 0.000 1.036 61 S CB 0.546 63.625 63.200 -0.202 0.000 1.014 61 S HN 0.573 nan 8.310 nan 0.000 0.522 62 F N 1.863 121.843 119.950 0.051 0.000 2.604 62 F HA 0.148 4.676 4.527 0.001 0.000 0.298 62 F C 1.459 177.243 175.800 -0.027 0.000 1.131 62 F CA 0.205 58.263 58.000 0.096 0.000 1.457 62 F CB 0.365 39.561 39.000 0.326 0.000 1.095 62 F HN 0.439 nan 8.300 nan 0.000 0.574 63 S N -1.241 114.535 115.700 0.126 0.000 2.537 63 S HA 0.620 5.090 4.470 0.001 0.000 0.271 63 S C 0.151 174.691 174.600 -0.099 0.000 1.148 63 S CA -0.295 57.933 58.200 0.047 0.000 0.868 63 S CB 1.489 64.737 63.200 0.079 0.000 1.115 63 S HN 0.010 nan 8.310 nan 0.000 0.461 64 A N 2.574 125.326 122.820 -0.113 0.000 2.251 64 A HA 0.400 4.720 4.320 0.001 0.000 0.209 64 A C 0.554 177.648 177.584 -0.817 0.000 1.187 64 A CA 0.427 52.227 52.037 -0.395 0.000 0.823 64 A CB -0.498 18.301 19.000 -0.335 0.000 0.846 64 A HN 0.729 nan 8.150 nan 0.000 0.486 65 F N -1.005 118.726 119.950 -0.365 0.000 2.640 65 F HA 0.439 4.967 4.527 0.001 0.000 0.285 65 F C 1.535 176.793 175.800 -0.904 0.000 1.031 65 F CA 0.036 57.591 58.000 -0.741 0.000 1.240 65 F CB -0.197 38.101 39.000 -1.169 0.000 1.011 65 F HN 0.105 nan 8.300 nan 0.000 0.656 66 A N 0.964 123.406 122.820 -0.629 0.000 2.448 66 A HA 0.491 4.812 4.320 0.001 0.000 0.239 66 A C 0.644 177.878 177.584 -0.583 0.000 1.080 66 A CA 0.478 52.152 52.037 -0.605 0.000 0.779 66 A CB -0.501 17.818 19.000 -1.135 0.000 1.026 66 A HN 0.296 nan 8.150 nan 0.000 0.499 67 G N 0.286 108.610 108.800 -0.793 0.000 2.410 67 G HA2 0.418 4.378 3.960 0.001 0.000 0.330 67 G HA3 0.418 4.378 3.960 0.001 0.000 0.330 67 G C -0.165 174.021 174.900 -1.189 0.000 1.142 67 G CA -0.627 43.379 45.100 -1.824 0.000 0.902 67 G HN 0.743 nan 8.290 nan 0.000 0.491 68 N N 1.613 119.692 118.700 -1.035 0.000 2.416 68 N HA 0.147 4.888 4.740 0.001 0.000 0.265 68 N C -1.455 173.926 175.510 -0.215 0.000 1.195 68 N CA -1.849 50.958 53.050 -0.405 0.000 0.943 68 N CB 1.698 40.069 38.487 -0.193 0.000 1.115 68 N HN 0.010 nan 8.380 nan 0.000 0.481 69 P HA -0.100 nan 4.420 nan 0.000 0.220 69 P C 0.704 177.953 177.300 -0.083 0.000 1.148 69 P CA 1.192 64.191 63.100 -0.169 0.000 0.803 69 P CB -0.018 31.490 31.700 -0.320 0.000 0.782 70 Y N -1.045 119.181 120.300 -0.123 0.000 2.403 70 Y HA -0.085 4.465 4.550 0.001 0.000 0.291 70 Y C 1.837 177.724 175.900 -0.021 0.000 1.143 70 Y CA 0.018 58.067 58.100 -0.085 0.000 1.257 70 Y CB -0.454 38.005 38.460 -0.002 0.000 0.984 70 Y HN -0.078 nan 8.280 nan 0.000 0.550 71 L N 0.157 121.492 121.223 0.186 0.000 2.591 71 L HA 0.054 4.395 4.340 0.001 0.000 0.228 71 L C 0.345 177.275 176.870 0.101 0.000 1.133 71 L CA -0.009 54.925 54.840 0.156 0.000 0.880 71 L CB -0.071 42.130 42.059 0.237 0.000 1.033 71 L HN 0.140 nan 8.230 nan 0.000 0.450 72 I N 0.710 121.327 120.570 0.078 0.000 2.533 72 I HA -0.052 4.119 4.170 0.001 0.000 0.284 72 I C 0.369 176.485 176.117 -0.003 0.000 1.109 72 I CA 0.019 61.319 61.300 0.001 0.000 1.412 72 I CB 0.408 38.385 38.000 -0.038 0.000 1.396 72 I HN -0.036 nan 8.210 nan 0.000 0.543 73 D N 6.981 127.364 120.400 -0.029 0.000 2.336 73 D HA 0.128 4.768 4.640 0.001 0.000 0.249 73 D C 0.777 177.074 176.300 -0.004 0.000 1.213 73 D CA 0.035 54.035 54.000 -0.000 0.000 0.870 73 D CB 1.030 41.818 40.800 -0.020 0.000 1.076 73 D HN 0.407 nan 8.370 nan 0.000 0.483 74 L N 3.595 124.832 121.223 0.022 0.000 2.478 74 L HA 0.038 4.379 4.340 0.001 0.000 0.223 74 L C 2.350 179.225 176.870 0.010 0.000 1.140 74 L CA 0.232 55.071 54.840 -0.000 0.000 0.842 74 L CB -0.035 41.993 42.059 -0.051 0.000 0.953 74 L HN 0.293 nan 8.230 nan 0.000 0.452 75 R N 0.398 120.924 120.500 0.043 0.000 2.081 75 R HA -0.140 4.200 4.340 0.001 0.000 0.235 75 R C -0.341 175.971 176.300 0.021 0.000 1.131 75 R CA 1.389 57.525 56.100 0.059 0.000 0.960 75 R CB -1.409 28.953 30.300 0.104 0.000 0.856 75 R HN 0.294 nan 8.270 nan 0.000 0.436 76 P HA -0.142 nan 4.420 nan 0.000 0.218 76 P C 0.947 178.231 177.300 -0.027 0.000 1.148 76 P CA 1.219 64.307 63.100 -0.020 0.000 0.822 76 P CB 0.029 31.707 31.700 -0.037 0.000 0.784 77 L N -1.197 120.041 121.223 0.025 0.000 2.044 77 L HA -0.086 4.255 4.340 0.001 0.000 0.205 77 L C 2.487 179.353 176.870 -0.005 0.000 1.075 77 L CA 1.499 56.401 54.840 0.103 0.000 0.747 77 L CB -1.324 40.882 42.059 0.245 0.000 0.903 77 L HN -0.074 nan 8.230 nan 0.000 0.435 78 A N -0.060 122.769 122.820 0.016 0.000 1.972 78 A HA -0.196 4.125 4.320 0.001 0.000 0.219 78 A C 2.076 179.636 177.584 -0.040 0.000 1.169 78 A CA 1.386 53.428 52.037 0.008 0.000 0.635 78 A CB -0.431 18.582 19.000 0.022 0.000 0.810 78 A HN 0.445 nan 8.150 nan 0.000 0.446 79 E N -0.828 119.336 120.200 -0.059 0.000 2.472 79 E HA -0.076 4.275 4.350 0.001 0.000 0.200 79 E C 1.467 177.983 176.600 -0.141 0.000 1.046 79 E CA 0.442 56.800 56.400 -0.070 0.000 0.871 79 E CB -0.014 29.657 29.700 -0.048 0.000 0.806 79 E HN 0.517 nan 8.360 nan 0.000 0.533 80 R N -1.136 119.193 120.500 -0.285 0.000 2.472 80 R HA 0.136 4.477 4.340 0.001 0.000 0.279 80 R C 0.916 176.992 176.300 -0.372 0.000 0.953 80 R CA 0.444 56.267 56.100 -0.462 0.000 1.088 80 R CB 1.133 30.832 30.300 -1.002 0.000 1.197 80 R HN 0.185 nan 8.270 nan 0.000 0.536 81 G N 0.574 109.270 108.800 -0.172 0.000 2.179 81 G HA2 -0.351 3.610 3.960 0.001 0.000 0.260 81 G HA3 -0.351 3.610 3.960 0.001 0.000 0.260 81 G C 0.655 175.639 174.900 0.140 0.000 0.977 81 G CA 0.304 45.399 45.100 -0.007 0.000 0.641 81 G HN 0.497 nan 8.290 nan 0.000 0.533 82 Y N -0.877 119.474 120.300 0.085 0.000 2.333 82 Y HA 0.234 4.784 4.550 0.001 0.000 0.290 82 Y C 1.661 177.609 175.900 0.081 0.000 1.144 82 Y CA 0.988 59.154 58.100 0.110 0.000 1.228 82 Y CB 0.191 38.777 38.460 0.211 0.000 0.985 82 Y HN 0.409 nan 8.280 nan 0.000 0.542 83 V N -0.437 119.599 119.914 0.204 0.000 3.225 83 V HA 0.398 4.518 4.120 0.001 0.000 0.293 83 V C -1.595 174.541 176.094 0.070 0.000 1.405 83 V CA -1.145 61.224 62.300 0.115 0.000 1.038 83 V CB 2.430 34.314 31.823 0.103 0.000 1.123 83 V HN 0.050 nan 8.190 nan 0.000 0.447 84 R N 4.398 124.931 120.500 0.055 0.000 2.272 84 R HA 0.597 4.938 4.340 0.001 0.000 0.323 84 R C -0.984 175.362 176.300 0.077 0.000 1.002 84 R CA -0.572 55.565 56.100 0.062 0.000 0.900 84 R CB 0.768 31.107 30.300 0.064 0.000 1.151 84 R HN 0.760 nan 8.270 nan 0.000 0.507 85 L N 4.249 125.511 121.223 0.065 0.000 2.453 85 L HA 0.123 4.463 4.340 0.001 0.000 0.272 85 L C -0.203 176.811 176.870 0.241 0.000 1.182 85 L CA 0.338 55.230 54.840 0.086 0.000 0.858 85 L CB 0.604 42.544 42.059 -0.197 0.000 1.120 85 L HN 0.587 nan 8.230 nan 0.000 0.474 86 E N 1.852 122.312 120.200 0.433 0.000 2.272 86 E HA 0.317 4.667 4.350 0.001 0.000 0.269 86 E C -1.244 175.514 176.600 0.263 0.000 0.877 86 E CA -0.739 55.879 56.400 0.363 0.000 0.755 86 E CB 1.871 31.777 29.700 0.343 0.000 1.192 86 E HN 0.249 nan 8.360 nan 0.000 0.422 87 D N 3.288 123.749 120.400 0.102 0.000 2.443 87 D HA 0.228 4.868 4.640 0.001 0.000 0.221 87 D C -1.565 174.568 176.300 -0.278 0.000 1.097 87 D CA -2.010 51.917 54.000 -0.121 0.000 0.865 87 D CB 1.249 42.041 40.800 -0.015 0.000 1.034 87 D HN 0.172 nan 8.370 nan 0.000 0.511 88 P HA 0.124 nan 4.420 nan 0.000 0.226 88 P C 0.248 177.301 177.300 -0.411 0.000 1.153 88 P CA 0.398 63.226 63.100 -0.453 0.000 0.777 88 P CB 0.382 31.719 31.700 -0.605 0.000 0.794 89 G N -1.419 107.082 108.800 -0.499 0.000 2.756 89 G HA2 -0.137 3.823 3.960 0.001 0.000 0.151 89 G HA3 -0.137 3.823 3.960 0.001 0.000 0.151 89 G C -0.438 174.271 174.900 -0.317 0.000 1.071 89 G CA -0.995 43.923 45.100 -0.302 0.000 0.881 89 G HN 0.080 nan 8.290 nan 0.000 0.517 90 F N 1.625 121.464 119.950 -0.185 0.000 2.471 90 F HA 0.436 4.963 4.527 0.001 0.000 0.353 90 F C -0.038 175.683 175.800 -0.132 0.000 1.113 90 F CA -1.176 56.722 58.000 -0.171 0.000 1.262 90 F CB 0.737 39.603 39.000 -0.222 0.000 1.146 90 F HN 0.167 nan 8.300 nan 0.000 0.578 91 P HA 0.077 nan 4.420 nan 0.000 0.277 91 P C -1.231 176.064 177.300 -0.008 0.000 1.276 91 P CA -0.444 62.671 63.100 0.025 0.000 0.788 91 P CB 0.730 32.446 31.700 0.027 0.000 1.114 92 Q N -1.413 118.371 119.800 -0.027 0.000 2.266 92 Q HA 0.424 4.764 4.340 0.001 0.000 0.261 92 Q C 0.974 176.932 176.000 -0.070 0.000 0.985 92 Q CA 0.024 55.792 55.803 -0.059 0.000 0.873 92 Q CB 1.379 30.089 28.738 -0.047 0.000 1.306 92 Q HN 0.905 nan 8.270 nan 0.000 0.447 93 G N 1.911 110.633 108.800 -0.131 0.000 2.175 93 G HA2 -0.319 3.641 3.960 0.001 0.000 0.265 93 G HA3 -0.319 3.641 3.960 0.001 0.000 0.265 93 G C 0.069 174.859 174.900 -0.184 0.000 0.979 93 G CA 1.081 46.075 45.100 -0.176 0.000 0.663 93 G HN 0.674 nan 8.290 nan 0.000 0.533 94 R N -2.158 118.259 120.500 -0.138 0.000 2.664 94 R HA 0.595 4.936 4.340 0.001 0.000 0.266 94 R C -1.302 174.937 176.300 -0.101 0.000 1.046 94 R CA -0.979 55.072 56.100 -0.083 0.000 0.885 94 R CB 1.038 31.349 30.300 0.020 0.000 1.254 94 R HN 0.301 nan 8.270 nan 0.000 0.465 95 V N 1.992 121.840 119.914 -0.111 0.000 2.432 95 V HA 0.169 4.290 4.120 0.001 0.000 0.275 95 V C -0.324 175.662 176.094 -0.180 0.000 1.043 95 V CA -0.233 61.908 62.300 -0.265 0.000 0.925 95 V CB 1.250 32.759 31.823 -0.524 0.000 0.985 95 V HN 0.723 nan 8.190 nan 0.000 0.466 96 D N 3.847 124.182 120.400 -0.110 0.000 2.467 96 D HA 0.199 4.840 4.640 0.001 0.000 0.220 96 D C 0.531 176.848 176.300 0.028 0.000 1.103 96 D CA -0.269 53.761 54.000 0.051 0.000 0.886 96 D CB 0.662 41.541 40.800 0.132 0.000 1.025 96 D HN 0.494 nan 8.370 nan 0.000 0.514 97 Y N 2.078 122.452 120.300 0.123 0.000 2.224 97 Y HA -0.052 4.499 4.550 0.001 0.000 0.289 97 Y C 2.476 178.502 175.900 0.210 0.000 1.146 97 Y CA 1.403 59.578 58.100 0.125 0.000 1.182 97 Y CB -0.053 38.506 38.460 0.165 0.000 0.983 97 Y HN 0.526 nan 8.280 nan 0.000 0.524 98 G N -0.126 108.883 108.800 0.348 0.000 2.446 98 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 98 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 98 G C 1.587 176.697 174.900 0.350 0.000 1.168 98 G CA 1.092 46.386 45.100 0.324 0.000 0.771 98 G HN 0.331 nan 8.290 nan 0.000 0.551 99 L N -0.109 121.284 121.223 0.284 0.000 2.141 99 L HA 0.179 4.520 4.340 0.001 0.000 0.209 99 L C 2.465 179.602 176.870 0.445 0.000 1.094 99 L CA 1.167 56.176 54.840 0.282 0.000 0.763 99 L CB -0.449 41.703 42.059 0.155 0.000 0.908 99 L HN 0.176 nan 8.230 nan 0.000 0.437 100 L N -1.673 119.783 121.223 0.388 0.000 2.093 100 L HA -0.199 4.141 4.340 0.001 0.000 0.208 100 L C 2.326 179.358 176.870 0.269 0.000 1.085 100 L CA 1.714 56.702 54.840 0.245 0.000 0.755 100 L CB -0.840 41.046 42.059 -0.289 0.000 0.904 100 L HN 0.436 nan 8.230 nan 0.000 0.435 101 Y N -0.089 120.384 120.300 0.289 0.000 2.145 101 Y HA -0.207 4.344 4.550 0.001 0.000 0.286 101 Y C 2.333 178.562 175.900 0.548 0.000 1.145 101 Y CA 1.851 60.285 58.100 0.557 0.000 1.148 101 Y CB -0.386 38.421 38.460 0.578 0.000 0.981 101 Y HN 0.190 nan 8.280 nan 0.000 0.507 102 A N -1.359 121.781 122.820 0.533 0.000 2.066 102 A HA -0.161 4.160 4.320 0.001 0.000 0.218 102 A C 1.883 179.667 177.584 0.334 0.000 1.157 102 A CA 1.454 53.720 52.037 0.382 0.000 0.670 102 A CB -1.121 18.099 19.000 0.366 0.000 0.804 102 A HN 0.835 nan 8.150 nan 0.000 0.453 103 W N -0.301 121.119 121.300 0.200 0.000 2.798 103 W HA 0.207 4.868 4.660 0.001 0.000 0.260 103 W C 1.948 178.576 176.519 0.181 0.000 1.165 103 W CA 0.918 58.369 57.345 0.178 0.000 1.501 103 W CB 0.199 29.776 29.460 0.196 0.000 1.023 103 W HN 0.102 nan 8.180 nan 0.000 0.615 104 K N -0.401 120.113 120.400 0.189 0.000 2.148 104 K HA -0.157 4.164 4.320 0.001 0.000 0.204 104 K C 1.800 178.305 176.600 -0.159 0.000 1.050 104 K CA 1.856 58.024 56.287 -0.198 0.000 0.942 104 K CB -0.599 31.936 32.500 0.058 0.000 0.724 104 K HN 0.230 nan 8.250 nan 0.000 0.446 105 W N 0.713 122.022 121.300 0.015 0.000 2.354 105 W HA -0.102 4.558 4.660 0.001 0.000 0.315 105 W C -0.873 175.580 176.519 -0.109 0.000 1.206 105 W CA 0.429 57.782 57.345 0.014 0.000 1.290 105 W CB -0.908 28.501 29.460 -0.085 0.000 1.152 105 W HN 0.181 nan 8.180 nan 0.000 0.489 106 P HA -0.193 nan 4.420 nan 0.000 0.216 106 P C 1.386 178.586 177.300 -0.166 0.000 1.150 106 P CA 2.748 65.796 63.100 -0.087 0.000 0.837 106 P CB -0.352 31.288 31.700 -0.101 0.000 0.786 107 A N -0.763 121.848 122.820 -0.349 0.000 1.933 107 A HA -0.156 4.164 4.320 0.001 0.000 0.218 107 A C 2.178 179.694 177.584 -0.112 0.000 1.175 107 A CA 1.382 53.188 52.037 -0.386 0.000 0.628 107 A CB -1.624 16.858 19.000 -0.864 0.000 0.814 107 A HN 0.120 nan 8.150 nan 0.000 0.444 108 L N -0.897 120.334 121.223 0.013 0.000 2.093 108 L HA -0.169 4.172 4.340 0.001 0.000 0.208 108 L C 2.552 179.670 176.870 0.413 0.000 1.085 108 L CA 1.535 56.547 54.840 0.287 0.000 0.755 108 L CB -0.328 41.988 42.059 0.429 0.000 0.904 108 L HN 0.344 nan 8.230 nan 0.000 0.435 109 K N -0.395 120.053 120.400 0.081 0.000 2.057 109 K HA -0.207 4.114 4.320 0.001 0.000 0.206 109 K C 2.050 178.628 176.600 -0.037 0.000 1.050 109 K CA 1.165 57.294 56.287 -0.264 0.000 0.935 109 K CB -0.040 32.158 32.500 -0.503 0.000 0.715 109 K HN 0.042 nan 8.250 nan 0.000 0.439 110 E N 1.212 121.397 120.200 -0.024 0.000 2.106 110 E HA -0.110 4.241 4.350 0.001 0.000 0.192 110 E C 1.719 178.356 176.600 0.061 0.000 0.984 110 E CA 1.386 57.780 56.400 -0.009 0.000 0.806 110 E CB -0.144 29.539 29.700 -0.028 0.000 0.750 110 E HN 0.276 nan 8.360 nan 0.000 0.458 111 A N -0.164 122.746 122.820 0.150 0.000 1.930 111 A HA -0.122 4.199 4.320 0.001 0.000 0.217 111 A C 2.116 179.834 177.584 0.223 0.000 1.175 111 A CA 1.307 53.501 52.037 0.261 0.000 0.627 111 A CB -0.852 18.360 19.000 0.354 0.000 0.815 111 A HN 0.437 nan 8.150 nan 0.000 0.443 112 F N 0.867 120.795 119.950 -0.037 0.000 2.186 112 F HA -0.070 4.458 4.527 0.001 0.000 0.299 112 F C 2.235 177.861 175.800 -0.290 0.000 1.090 112 F CA 1.367 59.058 58.000 -0.515 0.000 1.307 112 F CB -0.327 38.488 39.000 -0.308 0.000 1.019 112 F HN 0.137 nan 8.300 nan 0.000 0.489 113 R N -0.220 120.120 120.500 -0.267 0.000 2.075 113 R HA -0.052 4.289 4.340 0.001 0.000 0.232 113 R C 2.603 178.756 176.300 -0.246 0.000 1.126 113 R CA 1.211 57.116 56.100 -0.324 0.000 0.963 113 R CB -1.258 28.941 30.300 -0.168 0.000 0.858 113 R HN 0.433 nan 8.270 nan 0.000 0.435 114 G N 0.512 109.245 108.800 -0.110 0.000 2.422 114 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 114 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 114 G C 1.210 175.991 174.900 -0.199 0.000 1.146 114 G CA 0.282 45.363 45.100 -0.031 0.000 0.769 114 G HN 0.231 nan 8.290 nan 0.000 0.547 115 F N 1.670 121.279 119.950 -0.569 0.000 2.075 115 F HA 0.011 4.538 4.527 0.001 0.000 0.297 115 F C 2.639 178.113 175.800 -0.543 0.000 1.113 115 F CA 1.799 59.265 58.000 -0.890 0.000 1.218 115 F CB -0.121 38.448 39.000 -0.719 0.000 0.984 115 F HN 0.011 nan 8.300 nan 0.000 0.472 116 K N -0.147 119.970 120.400 -0.473 0.000 2.360 116 K HA -0.230 4.091 4.320 0.001 0.000 0.201 116 K C 1.988 178.383 176.600 -0.342 0.000 1.046 116 K CA 1.550 57.579 56.287 -0.429 0.000 0.940 116 K CB -0.257 31.965 32.500 -0.463 0.000 0.748 116 K HN 0.517 nan 8.250 nan 0.000 0.465 117 E N 0.809 120.830 120.200 -0.299 0.000 2.251 117 E HA -0.051 4.300 4.350 0.001 0.000 0.194 117 E C 1.086 177.602 176.600 -0.141 0.000 0.964 117 E CA 0.568 56.858 56.400 -0.183 0.000 0.868 117 E CB 0.444 30.070 29.700 -0.124 0.000 0.828 117 E HN 0.145 nan 8.360 nan 0.000 0.481 118 K N -0.088 120.225 120.400 -0.145 0.000 2.425 118 K HA 0.316 4.636 4.320 0.001 0.000 0.201 118 K C 0.303 176.886 176.600 -0.029 0.000 1.128 118 K CA 0.156 56.439 56.287 -0.007 0.000 1.000 118 K CB 1.213 33.828 32.500 0.191 0.000 0.961 118 K HN -0.019 nan 8.250 nan 0.000 0.555 119 A N 2.455 125.063 122.820 -0.354 0.000 2.587 119 A HA 0.074 4.395 4.320 0.001 0.000 0.235 119 A C 0.594 178.067 177.584 -0.185 0.000 1.044 119 A CA 0.100 51.862 52.037 -0.458 0.000 0.754 119 A CB -0.021 18.052 19.000 -1.545 0.000 0.968 119 A HN 0.340 nan 8.150 nan 0.000 0.509 120 S N 2.427 118.120 115.700 -0.012 0.000 2.632 120 S HA 0.412 4.882 4.470 0.001 0.000 0.267 120 S C -1.993 172.621 174.600 0.023 0.000 1.276 120 S CA -0.865 57.352 58.200 0.028 0.000 0.998 120 S CB 0.538 63.791 63.200 0.089 0.000 0.953 120 S HN 0.453 nan 8.310 nan 0.000 0.547 121 P HA -0.076 nan 4.420 nan 0.000 0.218 121 P C 0.919 178.269 177.300 0.083 0.000 1.148 121 P CA 1.177 64.300 63.100 0.040 0.000 0.822 121 P CB -0.002 31.718 31.700 0.034 0.000 0.784 122 E N -0.216 120.050 120.200 0.111 0.000 2.072 122 E HA -0.173 4.177 4.350 0.001 0.000 0.191 122 E C 1.908 178.647 176.600 0.232 0.000 0.985 122 E CA 1.205 57.696 56.400 0.153 0.000 0.801 122 E CB -0.701 29.090 29.700 0.151 0.000 0.750 122 E HN 0.432 nan 8.360 nan 0.000 0.452 123 E N 0.436 120.807 120.200 0.285 0.000 2.046 123 E HA -0.095 4.255 4.350 0.001 0.000 0.190 123 E C 2.183 179.029 176.600 0.411 0.000 0.982 123 E CA 0.741 57.438 56.400 0.495 0.000 0.800 123 E CB -0.124 29.948 29.700 0.621 0.000 0.756 123 E HN 0.128 nan 8.360 nan 0.000 0.449 124 R N 0.798 121.441 120.500 0.238 0.000 2.091 124 R HA -0.174 4.166 4.340 0.001 0.000 0.238 124 R C 2.322 178.711 176.300 0.148 0.000 1.136 124 R CA 1.385 57.608 56.100 0.205 0.000 0.959 124 R CB -0.162 30.173 30.300 0.059 0.000 0.856 124 R HN 0.047 nan 8.270 nan 0.000 0.437 125 E N 0.760 121.033 120.200 0.121 0.000 2.072 125 E HA -0.110 4.241 4.350 0.001 0.000 0.191 125 E C 1.832 178.487 176.600 0.092 0.000 0.985 125 E CA 1.565 58.017 56.400 0.087 0.000 0.801 125 E CB -0.154 29.601 29.700 0.091 0.000 0.750 125 E HN 0.331 nan 8.360 nan 0.000 0.452 126 A N -0.027 122.892 122.820 0.165 0.000 1.898 126 A HA -0.134 4.186 4.320 0.001 0.000 0.216 126 A C 2.155 179.751 177.584 0.019 0.000 1.181 126 A CA 1.382 53.558 52.037 0.232 0.000 0.620 126 A CB -0.904 18.390 19.000 0.489 0.000 0.819 126 A HN 0.440 nan 8.150 nan 0.000 0.442 127 F N 1.259 120.826 119.950 -0.638 0.000 2.134 127 F HA -0.052 4.476 4.527 0.001 0.000 0.299 127 F C 2.441 178.021 175.800 -0.367 0.000 1.097 127 F CA 0.884 58.154 58.000 -1.217 0.000 1.264 127 F CB -0.754 37.503 39.000 -1.238 0.000 1.001 127 F HN 0.241 nan 8.300 nan 0.000 0.479 128 A N 0.409 123.046 122.820 -0.305 0.000 1.898 128 A HA 0.024 4.345 4.320 0.001 0.000 0.216 128 A C 2.458 179.937 177.584 -0.176 0.000 1.181 128 A CA 1.721 53.577 52.037 -0.302 0.000 0.620 128 A CB -1.525 17.389 19.000 -0.144 0.000 0.819 128 A HN 0.479 nan 8.150 nan 0.000 0.442 129 A N -1.144 121.645 122.820 -0.052 0.000 1.933 129 A HA -0.025 4.296 4.320 0.001 0.000 0.218 129 A C 2.026 179.640 177.584 0.049 0.000 1.175 129 A CA 1.567 53.615 52.037 0.018 0.000 0.628 129 A CB -0.681 18.374 19.000 0.091 0.000 0.814 129 A HN 0.715 nan 8.150 nan 0.000 0.444 130 F N 0.829 120.743 119.950 -0.061 0.000 2.113 130 F HA -0.141 4.386 4.527 0.001 0.000 0.297 130 F C 2.344 178.074 175.800 -0.117 0.000 1.103 130 F CA 1.835 59.843 58.000 0.014 0.000 1.248 130 F CB -0.299 38.816 39.000 0.192 0.000 0.999 130 F HN 0.110 nan 8.300 nan 0.000 0.475 131 R N 0.126 120.471 120.500 -0.258 0.000 2.105 131 R HA -0.218 4.123 4.340 0.001 0.000 0.239 131 R C 2.266 178.321 176.300 -0.408 0.000 1.135 131 R CA 1.845 57.683 56.100 -0.436 0.000 0.967 131 R CB -0.633 29.407 30.300 -0.433 0.000 0.861 131 R HN 0.482 nan 8.270 nan 0.000 0.442 132 E N 0.829 120.865 120.200 -0.273 0.000 2.072 132 E HA -0.185 4.165 4.350 0.001 0.000 0.190 132 E C 2.163 178.660 176.600 -0.171 0.000 0.982 132 E CA 0.787 57.073 56.400 -0.191 0.000 0.803 132 E CB 0.086 29.716 29.700 -0.116 0.000 0.755 132 E HN 0.167 nan 8.360 nan 0.000 0.453 133 R N 0.218 120.620 120.500 -0.163 0.000 2.092 133 R HA -0.106 4.235 4.340 0.001 0.000 0.231 133 R C 1.162 177.389 176.300 -0.123 0.000 1.119 133 R CA 1.426 57.480 56.100 -0.078 0.000 0.970 133 R CB 0.146 30.438 30.300 -0.014 0.000 0.864 133 R HN 0.080 nan 8.270 nan 0.000 0.440 134 E N -0.025 119.874 120.200 -0.502 0.000 2.474 134 E HA 0.076 4.426 4.350 0.001 0.000 0.195 134 E C 1.416 177.293 176.600 -1.206 0.000 1.039 134 E CA 0.500 56.351 56.400 -0.914 0.000 0.881 134 E CB 0.637 29.551 29.700 -1.311 0.000 0.970 134 E HN 0.392 nan 8.360 nan 0.000 0.486 135 A N 2.282 124.707 122.820 -0.659 0.000 1.958 135 A HA -0.197 4.124 4.320 0.001 0.000 0.221 135 A C 1.971 179.303 177.584 -0.419 0.000 1.178 135 A CA 1.564 53.303 52.037 -0.498 0.000 0.642 135 A CB -1.375 17.477 19.000 -0.246 0.000 0.816 135 A HN 0.604 nan 8.150 nan 0.000 0.453 136 W N -0.519 120.616 121.300 -0.275 0.000 2.389 136 W HA -0.154 4.506 4.660 0.001 0.000 0.267 136 W C 1.607 178.067 176.519 -0.098 0.000 1.219 136 W CA 1.049 58.306 57.345 -0.146 0.000 1.189 136 W CB -1.168 28.244 29.460 -0.080 0.000 1.129 136 W HN 0.825 nan 8.180 nan 0.000 0.581 137 W N -0.924 119.916 121.300 -0.766 0.000 2.977 137 W HA 0.213 4.874 4.660 0.001 0.000 0.236 137 W C 1.531 177.842 176.519 -0.348 0.000 1.053 137 W CA -0.123 56.825 57.345 -0.663 0.000 1.375 137 W CB -1.291 27.364 29.460 -1.343 0.000 0.814 137 W HN -0.170 nan 8.180 nan 0.000 0.713 138 L N 2.577 122.973 121.223 -1.380 0.000 2.093 138 L HA -0.030 4.311 4.340 0.001 0.000 0.208 138 L C 2.430 179.087 176.870 -0.355 0.000 1.085 138 L CA 2.292 56.477 54.840 -1.092 0.000 0.755 138 L CB -0.733 40.498 42.059 -1.380 0.000 0.904 138 L HN -0.059 nan 8.230 nan 0.000 0.435 139 E N -0.555 119.461 120.200 -0.307 0.000 2.058 139 E HA -0.235 4.115 4.350 0.001 0.000 0.194 139 E C 1.751 178.352 176.600 0.001 0.000 0.997 139 E CA 1.478 57.798 56.400 -0.133 0.000 0.801 139 E CB -0.201 29.420 29.700 -0.132 0.000 0.746 139 E HN 0.543 nan 8.360 nan 0.000 0.450 140 D N -0.001 120.417 120.400 0.030 0.000 2.117 140 D HA -0.162 4.479 4.640 0.001 0.000 0.198 140 D C 1.790 178.307 176.300 0.363 0.000 0.982 140 D CA 0.925 55.028 54.000 0.172 0.000 0.828 140 D CB -0.383 40.461 40.800 0.073 0.000 0.967 140 D HN 0.187 nan 8.370 nan 0.000 0.464 141 Y N 1.718 122.143 120.300 0.209 0.000 2.163 141 Y HA -0.133 4.418 4.550 0.001 0.000 0.288 141 Y C 2.267 178.303 175.900 0.227 0.000 1.136 141 Y CA 1.737 59.998 58.100 0.268 0.000 1.147 141 Y CB -0.513 38.169 38.460 0.371 0.000 0.987 141 Y HN -0.060 nan 8.280 nan 0.000 0.509 142 A N 0.149 122.968 122.820 -0.001 0.000 1.902 142 A HA -0.195 4.126 4.320 0.001 0.000 0.217 142 A C 2.187 179.715 177.584 -0.093 0.000 1.181 142 A CA 1.873 53.854 52.037 -0.092 0.000 0.623 142 A CB -1.249 17.785 19.000 0.057 0.000 0.818 142 A HN 0.544 nan 8.150 nan 0.000 0.443 143 L N -1.651 119.595 121.223 0.038 0.000 2.156 143 L HA 0.010 4.350 4.340 0.001 0.000 0.208 143 L C 2.103 178.948 176.870 -0.042 0.000 1.095 143 L CA 1.792 56.665 54.840 0.055 0.000 0.770 143 L CB -0.747 41.431 42.059 0.198 0.000 0.914 143 L HN 0.445 nan 8.230 nan 0.000 0.439 144 F N -0.457 119.429 119.950 -0.106 0.000 2.075 144 F HA -0.270 4.258 4.527 0.001 0.000 0.297 144 F C 2.213 177.798 175.800 -0.358 0.000 1.113 144 F CA 1.859 59.701 58.000 -0.263 0.000 1.218 144 F CB -0.159 38.805 39.000 -0.060 0.000 0.984 144 F HN 0.042 nan 8.300 nan 0.000 0.472 145 M N 0.417 119.740 119.600 -0.462 0.000 2.175 145 M HA -0.087 4.393 4.480 0.001 0.000 0.264 145 M C 2.501 178.415 176.300 -0.643 0.000 1.063 145 M CA 1.494 56.314 55.300 -0.800 0.000 1.119 145 M CB -1.961 29.774 32.600 -1.442 0.000 1.377 145 M HN 0.366 nan 8.290 nan 0.000 0.415 146 A N 0.415 122.991 122.820 -0.407 0.000 1.898 146 A HA -0.094 4.226 4.320 0.001 0.000 0.216 146 A C 2.301 179.692 177.584 -0.322 0.000 1.181 146 A CA 1.183 53.117 52.037 -0.171 0.000 0.620 146 A CB -0.860 18.111 19.000 -0.048 0.000 0.819 146 A HN 0.450 nan 8.150 nan 0.000 0.442 147 L N -0.671 120.237 121.223 -0.525 0.000 2.093 147 L HA -0.183 4.158 4.340 0.001 0.000 0.208 147 L C 2.624 178.938 176.870 -0.925 0.000 1.085 147 L CA 1.845 56.185 54.840 -0.834 0.000 0.755 147 L CB -0.370 40.842 42.059 -1.412 0.000 0.904 147 L HN 0.495 nan 8.230 nan 0.000 0.435 148 K N 0.298 120.247 120.400 -0.753 0.000 2.057 148 K HA -0.147 4.173 4.320 0.001 0.000 0.207 148 K C 2.026 178.471 176.600 -0.258 0.000 1.049 148 K CA 1.477 57.551 56.287 -0.356 0.000 0.931 148 K CB -0.292 31.936 32.500 -0.454 0.000 0.714 148 K HN 0.294 nan 8.250 nan 0.000 0.440 149 G N 0.068 108.699 108.800 -0.281 0.000 2.408 149 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 149 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 149 G C 1.472 176.263 174.900 -0.183 0.000 1.150 149 G CA 0.710 45.697 45.100 -0.190 0.000 0.776 149 G HN 0.423 nan 8.290 nan 0.000 0.542 150 A N -0.339 122.343 122.820 -0.230 0.000 2.167 150 A HA 0.181 4.501 4.320 0.001 0.000 0.214 150 A C 1.254 178.571 177.584 -0.445 0.000 1.151 150 A CA 0.684 52.550 52.037 -0.285 0.000 0.735 150 A CB -0.219 18.611 19.000 -0.283 0.000 0.802 150 A HN 0.416 nan 8.150 nan 0.000 0.467 151 H N -1.400 117.471 119.070 -0.331 0.000 2.502 151 H HA 0.416 4.972 4.556 0.001 0.000 0.268 151 H C 1.236 176.506 175.328 -0.097 0.000 1.177 151 H CA -0.083 55.816 56.048 -0.248 0.000 0.961 151 H CB -0.035 29.468 29.762 -0.431 0.000 1.737 151 H HN 0.397 nan 8.280 nan 0.000 0.569 152 G N 0.347 109.121 108.800 -0.043 0.000 2.233 152 G HA2 -0.254 3.707 3.960 0.001 0.000 0.270 152 G HA3 -0.254 3.707 3.960 0.001 0.000 0.270 152 G C 1.307 176.227 174.900 0.033 0.000 1.011 152 G CA 0.550 45.647 45.100 -0.005 0.000 0.762 152 G HN 1.130 nan 8.290 nan 0.000 0.511 153 G N -1.801 107.020 108.800 0.035 0.000 2.162 153 G HA2 -0.243 3.717 3.960 0.001 0.000 0.260 153 G HA3 -0.243 3.717 3.960 0.001 0.000 0.260 153 G C 0.540 175.494 174.900 0.090 0.000 0.976 153 G CA 0.485 45.615 45.100 0.050 0.000 0.655 153 G HN 1.324 nan 8.290 nan 0.000 0.533 154 L N 2.149 123.466 121.223 0.157 0.000 2.483 154 L HA 0.277 4.617 4.340 0.001 0.000 0.276 154 L C -0.937 175.952 176.870 0.031 0.000 1.213 154 L CA -1.489 53.428 54.840 0.129 0.000 0.843 154 L CB 0.319 42.508 42.059 0.217 0.000 1.107 154 L HN 0.042 nan 8.230 nan 0.000 0.487 155 P HA -0.082 nan 4.420 nan 0.000 0.272 155 P C 0.441 177.139 177.300 -1.002 0.000 1.230 155 P CA -0.343 62.540 63.100 -0.363 0.000 0.788 155 P CB 0.399 31.927 31.700 -0.288 0.000 0.949 156 W N 4.273 124.771 121.300 -1.337 0.000 2.325 156 W HA -0.213 4.447 4.660 0.001 0.000 0.299 156 W C 0.515 176.346 176.519 -1.146 0.000 1.215 156 W CA 1.558 57.565 57.345 -2.231 0.000 1.244 156 W CB -2.211 26.386 29.460 -1.440 0.000 1.140 156 W HN 0.291 nan 8.180 nan 0.000 0.523 157 N N 0.938 118.665 118.700 -1.622 0.000 2.485 157 N HA -0.044 4.696 4.740 0.001 0.000 0.199 157 N C 1.090 176.225 175.510 -0.625 0.000 1.236 157 N CA 0.385 52.676 53.050 -1.265 0.000 0.852 157 N CB -0.663 36.893 38.487 -1.550 0.000 1.018 157 N HN 0.341 nan 8.380 nan 0.000 0.457 158 R N -1.410 118.769 120.500 -0.534 0.000 2.549 158 R HA 0.168 4.509 4.340 0.001 0.000 0.344 158 R C -0.440 175.840 176.300 -0.033 0.000 0.979 158 R CA -0.511 55.443 56.100 -0.243 0.000 1.140 158 R CB 0.302 30.482 30.300 -0.200 0.000 1.377 158 R HN 0.110 nan 8.270 nan 0.000 0.541 159 W N 2.085 123.280 121.300 -0.176 0.000 2.183 159 W HA 0.312 4.972 4.660 0.001 0.000 0.348 159 W C -2.036 174.415 176.519 -0.114 0.000 1.257 159 W CA -3.077 54.134 57.345 -0.222 0.000 1.324 159 W CB -0.852 28.365 29.460 -0.406 0.000 1.144 159 W HN -0.231 nan 8.180 nan 0.000 0.622 160 P HA -0.054 nan 4.420 nan 0.000 0.265 160 P C 1.262 178.640 177.300 0.130 0.000 1.187 160 P CA 0.434 63.604 63.100 0.116 0.000 0.766 160 P CB 0.538 32.303 31.700 0.109 0.000 0.820 161 L N 4.597 125.881 121.223 0.103 0.000 2.051 161 L HA -0.196 4.145 4.340 0.001 0.000 0.214 161 L C -0.603 176.345 176.870 0.131 0.000 1.076 161 L CA 2.232 57.139 54.840 0.111 0.000 0.758 161 L CB -1.960 40.144 42.059 0.074 0.000 0.890 161 L HN 0.464 nan 8.230 nan 0.000 0.433 162 P HA -0.177 nan 4.420 nan 0.000 0.215 162 P C 1.869 179.260 177.300 0.151 0.000 1.153 162 P CA 1.422 64.583 63.100 0.102 0.000 0.853 162 P CB 0.093 31.837 31.700 0.073 0.000 0.788 163 L N -1.413 119.919 121.223 0.183 0.000 2.095 163 L HA -0.012 4.329 4.340 0.001 0.000 0.204 163 L C 2.795 179.985 176.870 0.533 0.000 1.080 163 L CA 0.992 56.000 54.840 0.280 0.000 0.759 163 L CB -0.623 41.509 42.059 0.121 0.000 0.914 163 L HN -0.150 nan 8.230 nan 0.000 0.439 164 R N 1.240 122.022 120.500 0.469 0.000 2.083 164 R HA -0.172 4.168 4.340 0.001 0.000 0.237 164 R C 1.719 178.361 176.300 0.570 0.000 1.137 164 R CA 1.573 58.028 56.100 0.592 0.000 0.951 164 R CB 0.017 30.524 30.300 0.345 0.000 0.851 164 R HN 0.268 nan 8.270 nan 0.000 0.434 165 K N 0.283 120.878 120.400 0.324 0.000 2.458 165 K HA 0.094 4.414 4.320 0.001 0.000 0.194 165 K C -0.200 176.448 176.600 0.080 0.000 1.024 165 K CA -0.020 56.377 56.287 0.184 0.000 1.108 165 K CB 0.270 32.844 32.500 0.123 0.000 0.846 165 K HN 0.174 nan 8.250 nan 0.000 0.518 166 R N 1.608 122.187 120.500 0.131 0.000 3.333 166 R HA -0.170 4.171 4.340 0.001 0.000 0.256 166 R C -1.128 175.160 176.300 -0.021 0.000 1.010 166 R CA 0.447 56.546 56.100 -0.002 0.000 0.680 166 R CB -1.936 28.192 30.300 -0.287 0.000 1.102 166 R HN 0.406 nan 8.270 nan 0.000 0.440 167 E N 0.879 121.098 120.200 0.032 0.000 2.376 167 E HA -0.059 4.292 4.350 0.001 0.000 0.266 167 E C 0.885 177.484 176.600 -0.001 0.000 1.009 167 E CA -0.118 56.289 56.400 0.011 0.000 0.902 167 E CB 0.597 30.315 29.700 0.029 0.000 0.972 167 E HN 0.256 nan 8.360 nan 0.000 0.439 168 E N 3.310 123.496 120.200 -0.023 0.000 2.065 168 E HA -0.300 4.051 4.350 0.001 0.000 0.201 168 E C 1.514 178.107 176.600 -0.011 0.000 1.016 168 E CA 1.482 57.866 56.400 -0.028 0.000 0.818 168 E CB 0.021 29.701 29.700 -0.033 0.000 0.749 168 E HN 0.381 nan 8.360 nan 0.000 0.453 169 K N 0.280 120.677 120.400 -0.005 0.000 2.009 169 K HA -0.173 4.147 4.320 0.001 0.000 0.210 169 K C 2.282 178.887 176.600 0.009 0.000 1.049 169 K CA 1.251 57.538 56.287 0.000 0.000 0.929 169 K CB -0.254 32.247 32.500 0.002 0.000 0.714 169 K HN 0.090 nan 8.250 nan 0.000 0.440 170 A N 1.169 124.001 122.820 0.020 0.000 1.902 170 A HA -0.173 4.147 4.320 0.001 0.000 0.217 170 A C 2.071 179.678 177.584 0.039 0.000 1.181 170 A CA 1.243 53.299 52.037 0.032 0.000 0.623 170 A CB -0.520 18.509 19.000 0.049 0.000 0.818 170 A HN 0.190 nan 8.150 nan 0.000 0.443 171 L N -0.117 121.134 121.223 0.046 0.000 2.017 171 L HA -0.119 4.222 4.340 0.001 0.000 0.208 171 L C 2.592 179.481 176.870 0.032 0.000 1.073 171 L CA 1.827 56.704 54.840 0.061 0.000 0.745 171 L CB -0.596 41.487 42.059 0.041 0.000 0.894 171 L HN 0.352 nan 8.230 nan 0.000 0.432 172 R N -0.679 119.827 120.500 0.010 0.000 2.096 172 R HA -0.146 4.195 4.340 0.001 0.000 0.235 172 R C 2.038 178.339 176.300 0.001 0.000 1.127 172 R CA 1.471 57.571 56.100 -0.000 0.000 0.968 172 R CB -0.344 29.950 30.300 -0.009 0.000 0.861 172 R HN 0.536 nan 8.270 nan 0.000 0.440 173 E N 0.788 120.990 120.200 0.004 0.000 2.047 173 E HA -0.149 4.202 4.350 0.001 0.000 0.191 173 E C 2.128 178.726 176.600 -0.003 0.000 0.987 173 E CA 1.098 57.498 56.400 -0.001 0.000 0.799 173 E CB -0.128 29.572 29.700 0.000 0.000 0.752 173 E HN 0.334 nan 8.360 nan 0.000 0.449 174 A N 2.023 124.845 122.820 0.003 0.000 1.908 174 A HA -0.246 4.075 4.320 0.001 0.000 0.218 174 A C 2.101 179.680 177.584 -0.009 0.000 1.181 174 A CA 1.635 53.667 52.037 -0.009 0.000 0.627 174 A CB -0.442 18.554 19.000 -0.007 0.000 0.818 174 A HN 0.060 nan 8.150 nan 0.000 0.445 175 K N -0.393 120.010 120.400 0.006 0.000 2.103 175 K HA -0.159 4.161 4.320 0.001 0.000 0.207 175 K C 2.360 178.962 176.600 0.002 0.000 1.048 175 K CA 1.650 57.942 56.287 0.008 0.000 0.930 175 K CB -0.189 32.317 32.500 0.011 0.000 0.716 175 K HN 0.467 nan 8.250 nan 0.000 0.444 176 S N -0.197 115.501 115.700 -0.002 0.000 2.357 176 S HA -0.054 4.417 4.470 0.001 0.000 0.221 176 S C 1.972 176.568 174.600 -0.006 0.000 1.031 176 S CA 1.084 59.282 58.200 -0.004 0.000 0.982 176 S CB -0.204 62.992 63.200 -0.007 0.000 0.853 176 S HN 0.443 nan 8.310 nan 0.000 0.458 177 A N 0.874 123.686 122.820 -0.013 0.000 1.972 177 A HA 0.186 4.506 4.320 0.001 0.000 0.219 177 A C 1.707 179.278 177.584 -0.022 0.000 1.169 177 A CA 1.042 53.066 52.037 -0.022 0.000 0.635 177 A CB -0.441 18.540 19.000 -0.031 0.000 0.810 177 A HN 0.578 nan 8.150 nan 0.000 0.446 178 L N -0.859 120.353 121.223 -0.018 0.000 2.928 178 L HA 0.251 4.591 4.340 0.001 0.000 0.246 178 L C 2.167 179.050 176.870 0.023 0.000 1.239 178 L CA 0.172 55.005 54.840 -0.011 0.000 1.035 178 L CB 0.028 42.067 42.059 -0.034 0.000 1.360 178 L HN 0.355 nan 8.230 nan 0.000 0.529 179 A N 0.392 123.229 122.820 0.027 0.000 1.927 179 A HA -0.260 4.060 4.320 0.001 0.000 0.220 179 A C 2.207 179.850 177.584 0.097 0.000 1.185 179 A CA 2.060 54.126 52.037 0.050 0.000 0.639 179 A CB -0.150 18.873 19.000 0.037 0.000 0.820 179 A HN 0.398 nan 8.150 nan 0.000 0.451 180 E N -0.365 119.896 120.200 0.103 0.000 2.107 180 E HA -0.085 4.265 4.350 0.001 0.000 0.191 180 E C 1.914 178.638 176.600 0.206 0.000 0.982 180 E CA 1.373 57.882 56.400 0.181 0.000 0.809 180 E CB -0.157 29.618 29.700 0.126 0.000 0.756 180 E HN 0.670 nan 8.360 nan 0.000 0.459 181 E N -0.775 119.500 120.200 0.124 0.000 2.107 181 E HA -0.083 4.267 4.350 0.001 0.000 0.191 181 E C 2.044 178.760 176.600 0.193 0.000 0.982 181 E CA 0.833 57.315 56.400 0.136 0.000 0.809 181 E CB -0.103 29.644 29.700 0.078 0.000 0.756 181 E HN 0.059 nan 8.360 nan 0.000 0.459 182 V N 0.981 120.982 119.914 0.145 0.000 2.295 182 V HA -0.273 3.848 4.120 0.001 0.000 0.246 182 V C 2.212 178.381 176.094 0.125 0.000 1.049 182 V CA 1.854 64.233 62.300 0.131 0.000 1.024 182 V CB -0.781 31.085 31.823 0.072 0.000 0.648 182 V HN 0.363 nan 8.190 nan 0.000 0.447 183 A N -0.320 122.583 122.820 0.138 0.000 1.902 183 A HA -0.256 4.065 4.320 0.001 0.000 0.217 183 A C 2.113 179.645 177.584 -0.088 0.000 1.181 183 A CA 2.093 54.235 52.037 0.175 0.000 0.623 183 A CB -0.734 18.490 19.000 0.374 0.000 0.818 183 A HN 0.557 nan 8.150 nan 0.000 0.443 184 F N 0.595 120.254 119.950 -0.485 0.000 2.095 184 F HA -0.226 4.302 4.527 0.001 0.000 0.298 184 F C 2.365 177.965 175.800 -0.332 0.000 1.104 184 F CA 2.195 59.650 58.000 -0.908 0.000 1.232 184 F CB -0.605 38.056 39.000 -0.564 0.000 0.987 184 F HN 0.385 nan 8.300 nan 0.000 0.475 185 H N -0.017 118.826 119.070 -0.378 0.000 2.421 185 H HA 0.005 4.561 4.556 0.001 0.000 0.298 185 H C 2.374 177.704 175.328 0.004 0.000 1.087 185 H CA 1.278 57.151 56.048 -0.290 0.000 1.330 185 H CB -0.790 28.892 29.762 -0.132 0.000 1.388 185 H HN 0.422 nan 8.280 nan 0.000 0.526 186 A N 0.754 123.699 122.820 0.209 0.000 1.969 186 A HA -0.159 4.162 4.320 0.001 0.000 0.218 186 A C 2.233 180.150 177.584 0.554 0.000 1.169 186 A CA 0.947 53.217 52.037 0.387 0.000 0.635 186 A CB -0.882 18.302 19.000 0.306 0.000 0.810 186 A HN 0.324 nan 8.150 nan 0.000 0.445 187 F N 2.068 122.063 119.950 0.075 0.000 2.134 187 F HA -0.182 4.345 4.527 0.001 0.000 0.299 187 F C 2.708 178.423 175.800 -0.142 0.000 1.097 187 F CA 2.318 60.149 58.000 -0.281 0.000 1.264 187 F CB -0.688 37.855 39.000 -0.762 0.000 1.001 187 F HN 0.342 nan 8.300 nan 0.000 0.479 188 T N -2.132 112.293 114.554 -0.214 0.000 2.833 188 T HA -0.188 4.163 4.350 0.001 0.000 0.269 188 T C 1.796 176.497 174.700 0.002 0.000 1.054 188 T CA 1.212 63.196 62.100 -0.194 0.000 1.135 188 T CB -0.396 68.403 68.868 -0.113 0.000 0.869 188 T HN 0.274 nan 8.240 nan 0.000 0.466 189 Q N -0.200 119.746 119.800 0.244 0.000 2.049 189 Q HA 0.002 4.342 4.340 0.001 0.000 0.198 189 Q C 1.892 178.121 176.000 0.383 0.000 0.971 189 Q CA 1.340 57.453 55.803 0.518 0.000 0.833 189 Q CB -0.794 28.458 28.738 0.857 0.000 0.896 189 Q HN 0.797 nan 8.270 nan 0.000 0.434 190 W N 1.851 123.016 121.300 -0.225 0.000 2.335 190 W HA -0.180 4.480 4.660 0.001 0.000 0.311 190 W C 1.776 177.991 176.519 -0.506 0.000 1.213 190 W CA 1.391 58.148 57.345 -0.980 0.000 1.274 190 W CB -0.584 28.564 29.460 -0.521 0.000 1.148 190 W HN 0.063 nan 8.180 nan 0.000 0.498 191 L N -0.572 120.310 121.223 -0.569 0.000 2.017 191 L HA -0.211 4.130 4.340 0.001 0.000 0.208 191 L C 2.573 179.217 176.870 -0.377 0.000 1.073 191 L CA 1.871 56.312 54.840 -0.664 0.000 0.745 191 L CB -1.417 40.261 42.059 -0.634 0.000 0.894 191 L HN 0.034 nan 8.230 nan 0.000 0.432 192 F N 0.671 120.428 119.950 -0.322 0.000 2.065 192 F HA -0.299 4.229 4.527 0.001 0.000 0.298 192 F C 2.186 177.812 175.800 -0.291 0.000 1.112 192 F CA 1.740 59.554 58.000 -0.311 0.000 1.212 192 F CB -0.442 38.307 39.000 -0.419 0.000 0.975 192 F HN -0.136 nan 8.300 nan 0.000 0.476 193 F N 0.097 120.088 119.950 0.069 0.000 2.293 193 F HA -0.059 4.469 4.527 0.001 0.000 0.300 193 F C 2.630 178.374 175.800 -0.093 0.000 1.086 193 F CA 1.308 59.346 58.000 0.063 0.000 1.375 193 F CB -0.556 38.631 39.000 0.311 0.000 1.045 193 F HN -0.103 nan 8.300 nan 0.000 0.516 194 R N 0.374 120.788 120.500 -0.143 0.000 2.062 194 R HA -0.137 4.203 4.340 0.001 0.000 0.229 194 R C 2.132 178.304 176.300 -0.213 0.000 1.128 194 R CA 1.449 57.408 56.100 -0.235 0.000 0.960 194 R CB -0.212 29.752 30.300 -0.560 0.000 0.855 194 R HN 0.297 nan 8.270 nan 0.000 0.432 195 Q N -0.712 118.915 119.800 -0.288 0.000 2.119 195 Q HA -0.209 4.131 4.340 0.001 0.000 0.201 195 Q C 1.795 177.640 176.000 -0.257 0.000 0.972 195 Q CA 1.307 56.952 55.803 -0.263 0.000 0.847 195 Q CB -0.182 28.391 28.738 -0.275 0.000 0.903 195 Q HN 0.532 nan 8.270 nan 0.000 0.433 196 W N 0.795 121.809 121.300 -0.478 0.000 2.388 196 W HA -0.067 4.593 4.660 0.001 0.000 0.294 196 W C 1.752 178.161 176.519 -0.183 0.000 1.212 196 W CA 1.655 58.754 57.345 -0.410 0.000 1.271 196 W CB -0.237 28.826 29.460 -0.661 0.000 1.126 196 W HN 0.171 nan 8.180 nan 0.000 0.535 197 G N 0.668 109.458 108.800 -0.016 0.000 2.422 197 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 197 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 197 G C 1.686 176.524 174.900 -0.104 0.000 1.146 197 G CA 1.568 46.669 45.100 0.001 0.000 0.769 197 G HN 0.325 nan 8.290 nan 0.000 0.547 198 A N 0.234 122.970 122.820 -0.139 0.000 1.930 198 A HA 0.142 4.463 4.320 0.001 0.000 0.217 198 A C 2.317 179.791 177.584 -0.184 0.000 1.175 198 A CA 1.526 53.484 52.037 -0.132 0.000 0.627 198 A CB -0.374 18.551 19.000 -0.126 0.000 0.815 198 A HN 0.399 nan 8.150 nan 0.000 0.443 199 L N 0.056 121.098 121.223 -0.301 0.000 2.093 199 L HA -0.077 4.263 4.340 0.001 0.000 0.208 199 L C 2.255 178.925 176.870 -0.332 0.000 1.085 199 L CA 2.491 57.121 54.840 -0.351 0.000 0.755 199 L CB -0.536 41.209 42.059 -0.522 0.000 0.904 199 L HN 0.459 nan 8.230 nan 0.000 0.435 200 K N -0.756 119.387 120.400 -0.428 0.000 2.147 200 K HA -0.144 4.177 4.320 0.001 0.000 0.205 200 K C 1.937 178.511 176.600 -0.044 0.000 1.049 200 K CA 1.214 57.377 56.287 -0.207 0.000 0.936 200 K CB -0.153 32.257 32.500 -0.151 0.000 0.722 200 K HN 0.429 nan 8.250 nan 0.000 0.446 201 A N 0.849 123.630 122.820 -0.066 0.000 1.930 201 A HA -0.159 4.161 4.320 0.001 0.000 0.217 201 A C 1.952 179.517 177.584 -0.032 0.000 1.175 201 A CA 1.682 53.706 52.037 -0.022 0.000 0.627 201 A CB -0.453 18.531 19.000 -0.026 0.000 0.815 201 A HN 0.417 nan 8.150 nan 0.000 0.443 202 E N 0.292 120.453 120.200 -0.065 0.000 2.072 202 E HA -0.023 4.328 4.350 0.001 0.000 0.191 202 E C 2.054 178.621 176.600 -0.056 0.000 0.985 202 E CA 1.437 57.797 56.400 -0.067 0.000 0.801 202 E CB -0.458 29.186 29.700 -0.093 0.000 0.750 202 E HN 0.456 nan 8.360 nan 0.000 0.452 203 A N 0.696 123.494 122.820 -0.036 0.000 1.877 203 A HA -0.221 4.099 4.320 0.001 0.000 0.216 203 A C 2.076 179.649 177.584 -0.019 0.000 1.186 203 A CA 1.833 53.868 52.037 -0.002 0.000 0.620 203 A CB -0.656 18.411 19.000 0.112 0.000 0.822 203 A HN 0.338 nan 8.150 nan 0.000 0.443 204 E N -0.342 119.865 120.200 0.011 0.000 2.153 204 E HA -0.097 4.254 4.350 0.001 0.000 0.194 204 E C 2.167 178.743 176.600 -0.040 0.000 0.988 204 E CA 0.919 57.309 56.400 -0.015 0.000 0.811 204 E CB -0.264 29.467 29.700 0.052 0.000 0.746 204 E HN 0.631 nan 8.360 nan 0.000 0.466 205 A N 0.607 123.407 122.820 -0.034 0.000 2.067 205 A HA -0.067 4.253 4.320 0.001 0.000 0.219 205 A C 1.879 179.429 177.584 -0.056 0.000 1.158 205 A CA 0.785 52.798 52.037 -0.039 0.000 0.661 205 A CB -0.178 18.801 19.000 -0.035 0.000 0.801 205 A HN 0.146 nan 8.150 nan 0.000 0.452 206 L N -1.031 120.150 121.223 -0.070 0.000 2.653 206 L HA 0.254 4.595 4.340 0.001 0.000 0.231 206 L C 1.459 178.263 176.870 -0.110 0.000 1.153 206 L CA 0.392 55.179 54.840 -0.089 0.000 0.933 206 L CB -0.092 41.906 42.059 -0.102 0.000 1.175 206 L HN 0.511 nan 8.230 nan 0.000 0.473 207 G N 1.137 109.870 108.800 -0.111 0.000 2.179 207 G HA2 -0.289 3.672 3.960 0.001 0.000 0.257 207 G HA3 -0.289 3.672 3.960 0.001 0.000 0.257 207 G C 0.108 174.885 174.900 -0.206 0.000 1.010 207 G CA 0.071 45.085 45.100 -0.144 0.000 0.736 207 G HN 0.341 nan 8.290 nan 0.000 0.513 208 I N -0.175 120.280 120.570 -0.191 0.000 2.412 208 I HA 0.503 4.673 4.170 0.001 0.000 0.296 208 I C 0.779 176.744 176.117 -0.253 0.000 0.987 208 I CA -0.900 60.271 61.300 -0.215 0.000 1.180 208 I CB 1.437 39.376 38.000 -0.102 0.000 1.340 208 I HN -0.002 nan 8.210 nan 0.000 0.455 209 R N 5.744 126.018 120.500 -0.376 0.000 2.532 209 R HA 0.664 5.005 4.340 0.001 0.000 0.295 209 R C -0.972 175.444 176.300 0.193 0.000 0.968 209 R CA -0.762 55.142 56.100 -0.326 0.000 0.916 209 R CB 1.957 31.941 30.300 -0.526 0.000 1.124 209 R HN 0.509 nan 8.270 nan 0.000 0.463 210 I N 4.018 124.963 120.570 0.625 0.000 2.354 210 I HA 0.316 4.486 4.170 0.001 0.000 0.292 210 I C -0.035 176.298 176.117 0.360 0.000 0.989 210 I CA -0.579 61.008 61.300 0.479 0.000 1.188 210 I CB 1.466 39.785 38.000 0.532 0.000 1.342 210 I HN 0.391 nan 8.210 nan 0.000 0.457 211 I N 5.589 126.263 120.570 0.173 0.000 2.304 211 I HA 0.336 4.507 4.170 0.001 0.000 0.291 211 I C 0.907 176.830 176.117 -0.323 0.000 1.018 211 I CA -0.108 61.206 61.300 0.023 0.000 1.260 211 I CB 1.171 39.210 38.000 0.066 0.000 1.390 211 I HN 0.656 nan 8.210 nan 0.000 0.475 212 G N 4.100 112.478 108.800 -0.702 0.000 2.537 212 G HA2 0.407 4.367 3.960 0.001 0.000 0.297 212 G HA3 0.407 4.367 3.960 0.001 0.000 0.297 212 G C -1.325 173.122 174.900 -0.756 0.000 1.310 212 G CA -0.061 44.062 45.100 -1.630 0.000 1.027 212 G HN 0.533 nan 8.290 nan 0.000 0.505 213 D N -1.366 118.634 120.400 -0.666 0.000 2.736 213 D HA 0.562 5.203 4.640 0.001 0.000 0.223 213 D C -0.497 175.665 176.300 -0.230 0.000 1.231 213 D CA -0.444 53.377 54.000 -0.299 0.000 0.818 213 D CB 1.953 42.600 40.800 -0.255 0.000 1.587 213 D HN 0.591 nan 8.370 nan 0.000 0.463 214 M N 0.558 120.117 119.600 -0.069 0.000 2.414 214 M HA 0.572 5.053 4.480 0.001 0.000 0.287 214 M C -3.105 173.257 176.300 0.103 0.000 1.181 214 M CA -1.525 53.752 55.300 -0.039 0.000 0.933 214 M CB 3.124 35.720 32.600 -0.007 0.000 1.732 214 M HN -0.076 nan 8.290 nan 0.000 0.486 215 P HA 0.188 nan 4.420 nan 0.000 0.279 215 P C 0.379 177.787 177.300 0.181 0.000 1.239 215 P CA -0.296 62.904 63.100 0.166 0.000 0.789 215 P CB 1.704 33.498 31.700 0.157 0.000 0.933 216 I N 2.166 122.798 120.570 0.102 0.000 2.286 216 I HA -0.131 4.040 4.170 0.001 0.000 0.248 216 I C 0.357 176.619 176.117 0.241 0.000 1.115 216 I CA 1.111 62.475 61.300 0.107 0.000 1.392 216 I CB -0.008 37.710 38.000 -0.470 0.000 1.065 216 I HN 0.163 nan 8.210 nan 0.000 0.418 217 F N 0.643 120.799 119.950 0.343 0.000 2.422 217 F HA 0.367 4.894 4.527 0.001 0.000 0.333 217 F C 0.538 176.405 175.800 0.111 0.000 1.095 217 F CA -1.326 56.781 58.000 0.178 0.000 1.038 217 F CB 1.055 40.117 39.000 0.105 0.000 1.156 217 F HN -0.202 nan 8.300 nan 0.000 0.483 218 V N 0.594 120.661 119.914 0.255 0.000 3.441 218 V HA 0.789 4.909 4.120 0.001 0.000 0.300 218 V C 0.190 176.309 176.094 0.043 0.000 1.062 218 V CA -1.011 61.364 62.300 0.125 0.000 1.064 218 V CB 0.796 32.693 31.823 0.124 0.000 1.197 218 V HN 0.857 nan 8.190 nan 0.000 0.451 219 A N -0.336 122.481 122.820 -0.006 0.000 2.304 219 A HA 0.420 4.741 4.320 0.001 0.000 0.301 219 A C 1.065 178.636 177.584 -0.023 0.000 1.132 219 A CA 0.125 52.157 52.037 -0.008 0.000 0.819 219 A CB 0.586 19.575 19.000 -0.019 0.000 1.094 219 A HN 1.067 nan 8.150 nan 0.000 0.492 220 E N 0.779 120.983 120.200 0.007 0.000 2.038 220 E HA -0.223 4.128 4.350 0.001 0.000 0.195 220 E C -0.173 176.557 176.600 0.215 0.000 1.000 220 E CA 1.510 57.935 56.400 0.041 0.000 0.803 220 E CB 0.033 29.738 29.700 0.009 0.000 0.750 220 E HN 0.711 nan 8.360 nan 0.000 0.448 221 D N 0.818 121.346 120.400 0.214 0.000 2.563 221 D HA 0.092 4.732 4.640 0.001 0.000 0.222 221 D C -1.443 175.144 176.300 0.478 0.000 1.145 221 D CA -0.132 54.120 54.000 0.420 0.000 1.001 221 D CB 0.095 41.096 40.800 0.335 0.000 1.049 221 D HN 0.112 nan 8.370 nan 0.000 0.515 222 S N 0.320 116.154 115.700 0.223 0.000 2.588 222 S HA 0.665 5.135 4.470 0.001 0.000 0.275 222 S C 1.095 175.258 174.600 -0.729 0.000 1.130 222 S CA -0.415 57.650 58.200 -0.225 0.000 0.855 222 S CB 1.450 64.601 63.200 -0.080 0.000 1.116 222 S HN 0.108 nan 8.310 nan 0.000 0.472 223 A N 1.072 123.244 122.820 -1.080 0.000 1.908 223 A HA -0.069 4.251 4.320 0.001 0.000 0.218 223 A C 1.747 179.283 177.584 -0.080 0.000 1.181 223 A CA 2.052 53.733 52.037 -0.595 0.000 0.627 223 A CB -1.137 17.775 19.000 -0.146 0.000 0.818 223 A HN 0.876 nan 8.150 nan 0.000 0.445 224 E N -0.503 119.710 120.200 0.022 0.000 2.208 224 E HA -0.033 4.318 4.350 0.001 0.000 0.193 224 E C 1.875 178.493 176.600 0.031 0.000 0.988 224 E CA 0.965 57.489 56.400 0.207 0.000 0.828 224 E CB -0.305 29.704 29.700 0.516 0.000 0.763 224 E HN 0.378 nan 8.360 nan 0.000 0.478 225 V N -0.061 119.694 119.914 -0.265 0.000 2.379 225 V HA -0.165 3.955 4.120 0.001 0.000 0.245 225 V C 1.860 177.584 176.094 -0.617 0.000 1.044 225 V CA 1.486 63.468 62.300 -0.530 0.000 1.036 225 V CB -0.499 30.978 31.823 -0.577 0.000 0.664 225 V HN 0.460 nan 8.190 nan 0.000 0.453 226 W N 1.618 122.205 121.300 -1.188 0.000 2.358 226 W HA -0.129 4.531 4.660 0.001 0.000 0.303 226 W C 2.295 178.351 176.519 -0.772 0.000 1.208 226 W CA 1.745 58.120 57.345 -1.616 0.000 1.274 226 W CB -0.374 28.339 29.460 -1.246 0.000 1.138 226 W HN 0.158 nan 8.180 nan 0.000 0.515 227 A N -1.337 121.046 122.820 -0.727 0.000 2.072 227 A HA -0.015 4.306 4.320 0.001 0.000 0.216 227 A C 0.684 177.694 177.584 -0.956 0.000 1.156 227 A CA 0.938 52.413 52.037 -0.937 0.000 0.701 227 A CB -0.615 17.942 19.000 -0.737 0.000 0.816 227 A HN 0.422 nan 8.150 nan 0.000 0.458 228 H N -1.321 117.477 119.070 -0.452 0.000 2.386 228 H HA 0.216 4.772 4.556 0.001 0.000 0.232 228 H C -2.161 173.016 175.328 -0.252 0.000 1.416 228 H CA -1.554 54.155 56.048 -0.565 0.000 1.285 228 H CB 0.417 29.573 29.762 -1.010 0.000 1.625 228 H HN 0.264 nan 8.280 nan 0.000 0.521 229 P HA -0.170 nan 4.420 nan 0.000 0.217 229 P C 1.116 178.456 177.300 0.066 0.000 1.148 229 P CA 1.232 64.351 63.100 0.032 0.000 0.828 229 P CB 0.436 32.125 31.700 -0.019 0.000 0.783 230 E N -2.012 118.146 120.200 -0.069 0.000 2.409 230 E HA -0.157 4.194 4.350 0.001 0.000 0.198 230 E C 1.141 177.760 176.600 0.033 0.000 1.024 230 E CA 0.749 57.121 56.400 -0.047 0.000 0.861 230 E CB -1.098 28.546 29.700 -0.092 0.000 0.788 230 E HN 0.418 nan 8.360 nan 0.000 0.521 231 W N -0.228 120.961 121.300 -0.185 0.000 3.197 231 W HA 0.317 4.977 4.660 0.001 0.000 0.274 231 W C -0.269 175.680 176.519 -0.949 0.000 1.297 231 W CA -0.504 56.485 57.345 -0.593 0.000 1.662 231 W CB -0.238 28.709 29.460 -0.854 0.000 1.106 231 W HN -0.082 nan 8.180 nan 0.000 0.663 232 F N -1.061 118.891 119.950 0.002 0.000 2.603 232 F HA 0.321 4.848 4.527 0.001 0.000 0.317 232 F C 0.547 176.252 175.800 -0.158 0.000 1.066 232 F CA -1.450 56.485 58.000 -0.108 0.000 0.941 232 F CB 0.592 39.563 39.000 -0.049 0.000 1.291 232 F HN -0.286 nan 8.300 nan 0.000 0.472 233 H N 3.853 123.030 119.070 0.178 0.000 3.118 233 H HA 0.392 4.948 4.556 0.001 0.000 0.266 233 H C -0.539 174.851 175.328 0.105 0.000 1.465 233 H CA 0.308 56.420 56.048 0.108 0.000 1.460 233 H CB -0.266 29.534 29.762 0.062 0.000 1.661 233 H HN 0.302 nan 8.280 nan 0.000 0.516 234 L N 2.005 123.340 121.223 0.187 0.000 2.309 234 L HA 0.282 4.622 4.340 0.001 0.000 0.261 234 L C 0.358 177.296 176.870 0.114 0.000 1.021 234 L CA -1.345 53.585 54.840 0.150 0.000 0.823 234 L CB 1.928 44.103 42.059 0.192 0.000 1.366 234 L HN 0.411 nan 8.230 nan 0.000 0.423 235 D N -0.907 119.540 120.400 0.078 0.000 2.466 235 D HA 0.127 4.768 4.640 0.001 0.000 0.262 235 D C 0.473 176.811 176.300 0.063 0.000 1.177 235 D CA -0.565 53.469 54.000 0.057 0.000 1.035 235 D CB 0.718 41.534 40.800 0.028 0.000 1.105 235 D HN 0.504 nan 8.370 nan 0.000 0.551 236 E N -1.031 119.199 120.200 0.049 0.000 2.267 236 E HA -0.145 4.205 4.350 0.001 0.000 0.197 236 E C 0.743 177.378 176.600 0.058 0.000 0.998 236 E CA 1.110 57.542 56.400 0.054 0.000 0.830 236 E CB -0.027 29.696 29.700 0.039 0.000 0.751 236 E HN 0.411 nan 8.360 nan 0.000 0.491 237 E N -1.076 119.141 120.200 0.029 0.000 2.465 237 E HA 0.179 4.530 4.350 0.001 0.000 0.191 237 E C 0.900 177.471 176.600 -0.048 0.000 1.053 237 E CA 0.495 56.894 56.400 -0.002 0.000 0.869 237 E CB 0.631 30.309 29.700 -0.036 0.000 0.977 237 E HN 0.266 nan 8.360 nan 0.000 0.483 238 G N 1.204 110.019 108.800 0.026 0.000 2.157 238 G HA2 -0.344 3.616 3.960 0.001 0.000 0.248 238 G HA3 -0.344 3.616 3.960 0.001 0.000 0.248 238 G C 0.103 174.922 174.900 -0.135 0.000 0.979 238 G CA -0.120 44.986 45.100 0.009 0.000 0.650 238 G HN 0.216 nan 8.290 nan 0.000 0.529 239 R N 0.750 121.195 120.500 -0.092 0.000 2.308 239 R HA 0.419 4.760 4.340 0.001 0.000 0.305 239 R C -2.583 173.706 176.300 -0.018 0.000 1.053 239 R CA -1.795 54.249 56.100 -0.094 0.000 0.957 239 R CB 0.802 31.049 30.300 -0.088 0.000 1.022 239 R HN 0.088 nan 8.270 nan 0.000 0.461 240 P HA -0.033 nan 4.420 nan 0.000 0.268 240 P C 0.532 177.838 177.300 0.010 0.000 1.204 240 P CA 0.278 63.391 63.100 0.021 0.000 0.768 240 P CB 0.835 32.531 31.700 -0.006 0.000 0.842 241 T N -0.853 113.724 114.554 0.037 0.000 3.037 241 T HA 0.205 4.556 4.350 0.001 0.000 0.252 241 T C 0.610 175.290 174.700 -0.033 0.000 1.073 241 T CA 0.202 62.307 62.100 0.008 0.000 1.091 241 T CB -0.271 68.617 68.868 0.032 0.000 0.935 241 T HN 0.281 nan 8.240 nan 0.000 0.488 242 V N -0.320 119.573 119.914 -0.035 0.000 3.049 242 V HA 0.932 5.052 4.120 0.001 0.000 0.309 242 V C -0.637 175.409 176.094 -0.080 0.000 1.148 242 V CA -1.261 60.985 62.300 -0.089 0.000 0.990 242 V CB 1.836 33.573 31.823 -0.145 0.000 1.039 242 V HN 0.369 nan 8.190 nan 0.000 0.430 243 V N -0.368 119.479 119.914 -0.112 0.000 3.102 243 V HA 1.064 5.185 4.120 0.001 0.000 0.312 243 V C 0.362 176.359 176.094 -0.160 0.000 1.135 243 V CA -0.391 61.840 62.300 -0.115 0.000 1.022 243 V CB 1.399 33.183 31.823 -0.065 0.000 1.056 243 V HN 1.940 nan 8.190 nan 0.000 0.436 244 A N 0.617 123.329 122.820 -0.180 0.000 2.287 244 A HA 1.001 5.322 4.320 0.001 0.000 0.273 244 A C 0.662 178.106 177.584 -0.232 0.000 1.091 244 A CA 0.377 52.296 52.037 -0.198 0.000 0.817 244 A CB 0.506 19.384 19.000 -0.204 0.000 1.069 244 A HN 2.636 nan 8.150 nan 0.000 0.492 245 G N -1.799 106.643 108.800 -0.597 0.000 2.323 245 G HA2 0.594 4.554 3.960 0.001 0.000 0.291 245 G HA3 0.594 4.554 3.960 0.001 0.000 0.291 245 G C -1.004 173.274 174.900 -1.037 0.000 1.278 245 G CA 0.213 44.580 45.100 -1.222 0.000 0.860 245 G HN 2.102 nan 8.290 nan 0.000 0.504 246 V N -2.992 116.434 119.914 -0.813 0.000 3.007 246 V HA 0.866 4.987 4.120 0.001 0.000 0.311 246 V C -2.869 172.684 176.094 -0.903 0.000 1.120 246 V CA -2.424 59.462 62.300 -0.689 0.000 0.980 246 V CB 1.864 33.472 31.823 -0.359 0.000 1.033 246 V HN 0.680 nan 8.190 nan 0.000 0.429 247 P HA 0.337 nan 4.420 nan 0.000 0.270 247 P C -2.746 174.205 177.300 -0.582 0.000 1.223 247 P CA -0.965 61.302 63.100 -1.388 0.000 0.785 247 P CB -0.399 30.400 31.700 -1.502 0.000 0.923 248 P HA 0.169 nan 4.420 nan 0.000 0.272 248 P C -0.683 176.491 177.300 -0.210 0.000 1.223 248 P CA 0.572 63.543 63.100 -0.214 0.000 0.784 248 P CB 0.505 32.126 31.700 -0.131 0.000 0.923 249 D N -0.099 120.202 120.400 -0.165 0.000 3.158 249 D HA 0.105 4.745 4.640 0.001 0.000 0.314 249 D C 0.682 176.927 176.300 -0.091 0.000 1.308 249 D CA -0.121 53.738 54.000 -0.234 0.000 1.001 249 D CB -0.386 40.175 40.800 -0.398 0.000 1.389 249 D HN 0.320 nan 8.370 nan 0.000 0.595 250 Y N -0.270 120.065 120.300 0.058 0.000 2.616 250 Y HA 0.190 4.740 4.550 0.001 0.000 0.296 250 Y C 1.509 177.504 175.900 0.159 0.000 1.154 250 Y CA 0.018 58.164 58.100 0.076 0.000 1.325 250 Y CB -0.598 37.898 38.460 0.059 0.000 1.007 250 Y HN 0.237 nan 8.280 nan 0.000 0.542 251 F N 0.606 120.716 119.950 0.267 0.000 2.482 251 F HA 0.414 4.941 4.527 0.000 0.000 0.278 251 F C 0.550 176.398 175.800 0.079 0.000 0.969 251 F CA -0.392 57.714 58.000 0.176 0.000 1.223 251 F CB -0.249 38.860 39.000 0.181 0.000 1.140 251 F HN -0.236 nan 8.300 nan 0.000 0.672 252 S N 2.040 117.636 115.700 -0.173 0.000 2.434 252 S HA 0.164 4.634 4.470 0.001 0.000 0.318 252 S C 0.663 175.181 174.600 -0.137 0.000 1.062 252 S CA -0.397 57.627 58.200 -0.294 0.000 1.116 252 S CB 0.607 63.657 63.200 -0.250 0.000 0.977 252 S HN 0.298 nan 8.310 nan 0.000 0.480 253 E N 1.431 121.565 120.200 -0.110 0.000 2.401 253 E HA -0.122 4.228 4.350 0.001 0.000 0.199 253 E C 1.585 178.143 176.600 -0.070 0.000 1.023 253 E CA 0.762 57.123 56.400 -0.066 0.000 0.859 253 E CB 0.076 29.750 29.700 -0.043 0.000 0.780 253 E HN 0.527 nan 8.360 nan 0.000 0.523 254 T N -0.758 113.743 114.554 -0.088 0.000 3.037 254 T HA 0.268 4.619 4.350 0.001 0.000 0.251 254 T C 0.773 175.428 174.700 -0.074 0.000 1.079 254 T CA 0.738 62.797 62.100 -0.067 0.000 1.067 254 T CB 0.065 68.894 68.868 -0.065 0.000 0.948 254 T HN 0.386 nan 8.240 nan 0.000 0.496 255 G N 1.004 109.740 108.800 -0.108 0.000 2.642 255 G HA2 -0.153 3.808 3.960 0.001 0.000 0.231 255 G HA3 -0.153 3.808 3.960 0.001 0.000 0.231 255 G C -1.030 173.817 174.900 -0.089 0.000 1.338 255 G CA -0.468 44.552 45.100 -0.133 0.000 0.883 255 G HN 0.612 nan 8.290 nan 0.000 0.570 256 Q N -0.475 119.254 119.800 -0.119 0.000 2.310 256 Q HA 0.531 4.871 4.340 0.001 0.000 0.270 256 Q C -0.013 175.882 176.000 -0.176 0.000 1.025 256 Q CA -0.731 55.039 55.803 -0.054 0.000 0.772 256 Q CB 2.452 31.255 28.738 0.108 0.000 1.253 256 Q HN 0.597 nan 8.270 nan 0.000 0.450 257 R N 2.750 123.232 120.500 -0.030 0.000 2.280 257 R HA 0.151 4.492 4.340 0.001 0.000 0.326 257 R C -0.075 176.306 176.300 0.134 0.000 1.080 257 R CA -0.201 55.881 56.100 -0.029 0.000 1.002 257 R CB 0.328 30.630 30.300 0.003 0.000 1.136 257 R HN 0.697 nan 8.270 nan 0.000 0.509 258 W N 2.812 124.130 121.300 0.030 0.000 2.388 258 W HA 0.084 4.745 4.660 0.001 0.000 0.294 258 W C 1.568 178.099 176.519 0.020 0.000 1.212 258 W CA 1.487 58.852 57.345 0.034 0.000 1.271 258 W CB -0.429 29.062 29.460 0.052 0.000 1.126 258 W HN 0.880 nan 8.180 nan 0.000 0.535 259 G N -0.570 108.353 108.800 0.204 0.000 2.194 259 G HA2 -0.289 3.671 3.960 0.001 0.000 0.236 259 G HA3 -0.289 3.671 3.960 0.001 0.000 0.236 259 G C 0.200 175.137 174.900 0.063 0.000 0.987 259 G CA 0.055 45.212 45.100 0.095 0.000 0.635 259 G HN 0.295 nan 8.290 nan 0.000 0.520 260 N N 2.816 121.581 118.700 0.109 0.000 2.441 260 N HA 0.436 5.176 4.740 0.001 0.000 0.251 260 N C -1.902 173.559 175.510 -0.082 0.000 1.242 260 N CA -0.241 52.835 53.050 0.045 0.000 0.898 260 N CB 0.799 39.378 38.487 0.153 0.000 1.100 260 N HN 0.283 nan 8.380 nan 0.000 0.443 261 P HA 0.099 nan 4.420 nan 0.000 0.274 261 P C -0.715 176.469 177.300 -0.193 0.000 1.231 261 P CA -0.026 63.015 63.100 -0.099 0.000 0.790 261 P CB 0.840 32.461 31.700 -0.132 0.000 0.951 262 L N 1.949 123.093 121.223 -0.132 0.000 2.334 262 L HA 0.412 4.752 4.340 0.001 0.000 0.272 262 L C 0.455 177.241 176.870 -0.140 0.000 1.020 262 L CA -1.207 53.451 54.840 -0.303 0.000 0.812 262 L CB 0.679 42.608 42.059 -0.217 0.000 1.264 262 L HN 0.343 nan 8.230 nan 0.000 0.439 263 Y N 0.769 120.942 120.300 -0.212 0.000 2.411 263 Y HA 0.184 4.735 4.550 0.001 0.000 0.333 263 Y C 0.555 176.178 175.900 -0.462 0.000 1.186 263 Y CA -0.431 57.319 58.100 -0.583 0.000 1.381 263 Y CB 0.482 38.272 38.460 -1.117 0.000 1.273 263 Y HN 0.359 nan 8.280 nan 0.000 0.546 264 R N 3.105 123.381 120.500 -0.372 0.000 2.870 264 R HA 0.006 4.347 4.340 0.001 0.000 0.254 264 R C -0.003 176.266 176.300 -0.052 0.000 1.392 264 R CA -0.136 55.808 56.100 -0.261 0.000 1.322 264 R CB -0.119 29.987 30.300 -0.323 0.000 1.205 264 R HN 0.899 nan 8.270 nan 0.000 0.597 265 W N 1.505 122.913 121.300 0.180 0.000 2.331 265 W HA -0.258 4.402 4.660 0.001 0.000 0.291 265 W C 1.922 178.495 176.519 0.089 0.000 1.214 265 W CA 1.209 58.665 57.345 0.184 0.000 1.228 265 W CB 0.089 29.726 29.460 0.295 0.000 1.135 265 W HN 0.578 nan 8.180 nan 0.000 0.537 266 D N -0.301 120.277 120.400 0.298 0.000 2.117 266 D HA -0.163 4.477 4.640 0.001 0.000 0.198 266 D C 2.001 178.331 176.300 0.050 0.000 0.982 266 D CA 1.589 55.685 54.000 0.161 0.000 0.828 266 D CB -1.175 39.714 40.800 0.147 0.000 0.967 266 D HN 0.139 nan 8.370 nan 0.000 0.464 267 V N 1.337 121.269 119.914 0.031 0.000 2.295 267 V HA -0.216 3.904 4.120 0.001 0.000 0.246 267 V C 2.903 178.944 176.094 -0.088 0.000 1.049 267 V CA 1.171 63.471 62.300 -0.001 0.000 1.024 267 V CB -0.611 31.238 31.823 0.043 0.000 0.648 267 V HN 0.195 nan 8.190 nan 0.000 0.447 268 L N -0.230 120.892 121.223 -0.169 0.000 2.042 268 L HA -0.237 4.104 4.340 0.001 0.000 0.210 268 L C 2.607 179.167 176.870 -0.517 0.000 1.076 268 L CA 2.089 56.736 54.840 -0.322 0.000 0.749 268 L CB -0.618 41.299 42.059 -0.238 0.000 0.893 268 L HN 0.453 nan 8.230 nan 0.000 0.432 269 E N 0.548 120.420 120.200 -0.546 0.000 2.051 269 E HA -0.242 4.109 4.350 0.001 0.000 0.192 269 E C 2.328 178.614 176.600 -0.523 0.000 0.991 269 E CA 1.206 57.036 56.400 -0.951 0.000 0.799 269 E CB 0.079 29.559 29.700 -0.368 0.000 0.748 269 E HN 0.366 nan 8.360 nan 0.000 0.449 270 R N 0.313 120.662 120.500 -0.251 0.000 2.159 270 R HA -0.116 4.225 4.340 0.001 0.000 0.237 270 R C 1.492 177.710 176.300 -0.137 0.000 1.131 270 R CA 1.357 57.373 56.100 -0.140 0.000 0.982 270 R CB -0.095 30.169 30.300 -0.061 0.000 0.868 270 R HN 0.257 nan 8.270 nan 0.000 0.453 271 E N -0.122 119.974 120.200 -0.173 0.000 2.403 271 E HA 0.085 4.436 4.350 0.001 0.000 0.188 271 E C 0.392 176.904 176.600 -0.147 0.000 1.056 271 E CA 0.161 56.495 56.400 -0.110 0.000 0.892 271 E CB 0.636 30.309 29.700 -0.044 0.000 1.049 271 E HN 0.468 nan 8.360 nan 0.000 0.465 272 G N 1.260 109.923 108.800 -0.228 0.000 2.249 272 G HA2 -0.337 3.624 3.960 0.001 0.000 0.273 272 G HA3 -0.337 3.624 3.960 0.001 0.000 0.273 272 G C 0.353 175.250 174.900 -0.005 0.000 1.036 272 G CA 0.276 45.298 45.100 -0.129 0.000 0.824 272 G HN 0.482 nan 8.290 nan 0.000 0.504 273 F N -1.331 118.602 119.950 -0.029 0.000 3.100 273 F HA -0.323 4.205 4.527 0.001 0.000 0.283 273 F C 2.225 177.987 175.800 -0.064 0.000 0.900 273 F CA 1.449 59.436 58.000 -0.021 0.000 1.010 273 F CB -2.215 36.800 39.000 0.026 0.000 1.029 273 F HN 0.774 nan 8.300 nan 0.000 0.637 274 S N 0.167 115.851 115.700 -0.026 0.000 2.380 274 S HA -0.347 4.124 4.470 0.001 0.000 0.229 274 S C 1.689 176.230 174.600 -0.099 0.000 1.043 274 S CA 1.515 59.685 58.200 -0.051 0.000 1.038 274 S CB -0.827 62.353 63.200 -0.034 0.000 0.872 274 S HN 0.541 nan 8.310 nan 0.000 0.456 275 F N 1.167 120.811 119.950 -0.510 0.000 2.065 275 F HA -0.052 4.475 4.527 0.001 0.000 0.298 275 F C 2.039 177.678 175.800 -0.269 0.000 1.112 275 F CA 1.354 59.004 58.000 -0.583 0.000 1.212 275 F CB -0.840 37.410 39.000 -1.250 0.000 0.975 275 F HN 0.223 nan 8.300 nan 0.000 0.476 276 W N 0.282 121.379 121.300 -0.338 0.000 2.381 276 W HA -0.184 4.476 4.660 0.001 0.000 0.301 276 W C 2.382 178.779 176.519 -0.204 0.000 1.205 276 W CA 0.874 58.021 57.345 -0.330 0.000 1.285 276 W CB -0.304 29.058 29.460 -0.163 0.000 1.133 276 W HN -0.022 nan 8.180 nan 0.000 0.521 277 I N 0.221 120.876 120.570 0.142 0.000 2.163 277 I HA -0.283 3.887 4.170 0.001 0.000 0.243 277 I C 2.394 178.608 176.117 0.161 0.000 1.085 277 I CA 1.569 62.978 61.300 0.181 0.000 1.347 277 I CB -1.470 36.573 38.000 0.070 0.000 1.044 277 I HN 0.028 nan 8.210 nan 0.000 0.408 278 R N 0.293 120.815 120.500 0.036 0.000 2.081 278 R HA -0.133 4.207 4.340 0.001 0.000 0.235 278 R C 2.291 178.755 176.300 0.273 0.000 1.131 278 R CA 0.998 57.150 56.100 0.087 0.000 0.960 278 R CB -0.747 29.588 30.300 0.059 0.000 0.856 278 R HN 0.384 nan 8.270 nan 0.000 0.436 279 R N 0.581 121.051 120.500 -0.049 0.000 2.081 279 R HA -0.050 4.291 4.340 0.001 0.000 0.235 279 R C 2.335 178.545 176.300 -0.151 0.000 1.131 279 R CA 1.186 57.054 56.100 -0.387 0.000 0.960 279 R CB -0.187 29.520 30.300 -0.989 0.000 0.856 279 R HN 0.153 nan 8.270 nan 0.000 0.436 280 L N 0.263 121.466 121.223 -0.034 0.000 2.109 280 L HA -0.108 4.233 4.340 0.001 0.000 0.207 280 L C 2.609 179.446 176.870 -0.056 0.000 1.086 280 L CA 1.276 56.072 54.840 -0.073 0.000 0.760 280 L CB -0.494 41.458 42.059 -0.178 0.000 0.910 280 L HN 0.372 nan 8.230 nan 0.000 0.437 281 E N 0.933 121.257 120.200 0.207 0.000 2.058 281 E HA -0.318 4.032 4.350 0.001 0.000 0.194 281 E C 2.149 178.855 176.600 0.177 0.000 0.997 281 E CA 1.597 58.184 56.400 0.313 0.000 0.801 281 E CB 0.099 29.977 29.700 0.297 0.000 0.746 281 E HN 0.137 nan 8.360 nan 0.000 0.450 282 K N 0.872 121.388 120.400 0.193 0.000 2.057 282 K HA -0.057 4.264 4.320 0.001 0.000 0.207 282 K C 1.873 178.466 176.600 -0.011 0.000 1.049 282 K CA 1.653 58.025 56.287 0.141 0.000 0.931 282 K CB -0.668 31.968 32.500 0.227 0.000 0.714 282 K HN 0.213 nan 8.250 nan 0.000 0.440 283 A N 0.623 123.416 122.820 -0.046 0.000 1.933 283 A HA -0.067 4.253 4.320 0.001 0.000 0.218 283 A C 2.121 179.632 177.584 -0.121 0.000 1.175 283 A CA 1.499 53.488 52.037 -0.080 0.000 0.628 283 A CB -0.657 18.390 19.000 0.079 0.000 0.814 283 A HN 0.334 nan 8.150 nan 0.000 0.444 284 L N -0.630 120.560 121.223 -0.056 0.000 2.551 284 L HA -0.097 4.244 4.340 0.001 0.000 0.228 284 L C 2.080 178.924 176.870 -0.043 0.000 1.153 284 L CA 0.715 55.530 54.840 -0.042 0.000 0.851 284 L CB -0.373 41.650 42.059 -0.061 0.000 0.959 284 L HN 0.484 nan 8.230 nan 0.000 0.451 285 E N -0.092 120.080 120.200 -0.046 0.000 2.299 285 E HA -0.051 4.299 4.350 0.001 0.000 0.193 285 E C 1.985 178.560 176.600 -0.042 0.000 0.998 285 E CA 0.621 57.025 56.400 0.007 0.000 0.851 285 E CB 0.257 30.000 29.700 0.073 0.000 0.795 285 E HN 0.530 nan 8.360 nan 0.000 0.492 286 L N -0.851 120.198 121.223 -0.289 0.000 2.425 286 L HA 0.225 4.566 4.340 0.001 0.000 0.215 286 L C 0.433 177.063 176.870 -0.401 0.000 1.065 286 L CA 0.161 54.717 54.840 -0.474 0.000 0.842 286 L CB 0.204 41.426 42.059 -1.396 0.000 1.033 286 L HN -0.044 nan 8.230 nan 0.000 0.474 287 F N -2.260 117.688 119.950 -0.004 0.000 2.611 287 F HA 0.363 4.890 4.527 0.001 0.000 0.324 287 F C 0.996 176.684 175.800 -0.187 0.000 1.061 287 F CA -0.914 57.045 58.000 -0.067 0.000 0.954 287 F CB 1.195 40.188 39.000 -0.012 0.000 1.301 287 F HN -0.203 nan 8.300 nan 0.000 0.482 288 H N 0.086 119.346 119.070 0.317 0.000 2.520 288 H HA 0.398 4.955 4.556 0.001 0.000 0.279 288 H C -0.475 174.959 175.328 0.177 0.000 0.990 288 H CA 0.619 56.787 56.048 0.199 0.000 1.288 288 H CB 0.408 30.267 29.762 0.162 0.000 1.446 288 H HN 0.188 nan 8.280 nan 0.000 0.538 289 L N 0.429 121.824 121.223 0.287 0.000 2.445 289 L HA 0.471 4.812 4.340 0.001 0.000 0.262 289 L C -1.424 175.505 176.870 0.099 0.000 0.974 289 L CA -1.038 53.907 54.840 0.174 0.000 0.822 289 L CB 3.486 45.648 42.059 0.172 0.000 1.339 289 L HN -0.100 nan 8.230 nan 0.000 0.409 290 V N 3.424 123.371 119.914 0.055 0.000 2.577 290 V HA 0.523 4.644 4.120 0.001 0.000 0.303 290 V C -0.606 175.498 176.094 0.018 0.000 1.042 290 V CA -0.430 61.868 62.300 -0.003 0.000 0.872 290 V CB 2.141 34.004 31.823 0.066 0.000 0.998 290 V HN 0.830 nan 8.190 nan 0.000 0.423 291 R N 5.563 126.054 120.500 -0.016 0.000 2.457 291 R HA 0.661 5.002 4.340 0.001 0.000 0.284 291 R C -1.041 175.327 176.300 0.114 0.000 1.024 291 R CA -0.543 55.586 56.100 0.047 0.000 1.025 291 R CB 1.191 31.511 30.300 0.033 0.000 1.063 291 R HN 0.777 nan 8.270 nan 0.000 0.493 292 I N 2.973 123.668 120.570 0.208 0.000 2.410 292 I HA 0.149 4.319 4.170 0.001 0.000 0.286 292 I C -0.553 175.724 176.117 0.268 0.000 1.009 292 I CA -0.887 60.593 61.300 0.300 0.000 1.111 292 I CB 1.843 40.148 38.000 0.508 0.000 1.262 292 I HN 0.645 nan 8.210 nan 0.000 0.443 293 D N 4.296 124.823 120.400 0.211 0.000 2.443 293 D HA -0.021 4.620 4.640 0.001 0.000 0.239 293 D C 0.610 177.020 176.300 0.184 0.000 1.136 293 D CA 1.025 55.125 54.000 0.167 0.000 0.879 293 D CB 0.354 41.230 40.800 0.126 0.000 1.195 293 D HN 0.553 nan 8.370 nan 0.000 0.443 294 H N 2.337 121.457 119.070 0.083 0.000 2.677 294 H HA -0.265 4.291 4.556 0.001 0.000 0.321 294 H C 0.453 175.819 175.328 0.063 0.000 1.171 294 H CA 0.499 56.621 56.048 0.124 0.000 1.139 294 H CB -1.691 28.164 29.762 0.154 0.000 1.515 294 H HN 0.505 nan 8.280 nan 0.000 0.423 295 F N 1.819 121.745 119.950 -0.039 0.000 2.192 295 F HA -0.230 4.297 4.527 0.001 0.000 0.301 295 F C 2.350 178.102 175.800 -0.080 0.000 1.079 295 F CA 1.924 59.920 58.000 -0.007 0.000 1.303 295 F CB -0.092 38.964 39.000 0.094 0.000 1.024 295 F HN 0.497 nan 8.300 nan 0.000 0.494 296 R N 0.483 120.875 120.500 -0.181 0.000 2.249 296 R HA -0.000 4.340 4.340 0.001 0.000 0.230 296 R C 2.116 178.252 176.300 -0.273 0.000 1.121 296 R CA 1.359 57.330 56.100 -0.214 0.000 0.997 296 R CB -1.972 28.276 30.300 -0.086 0.000 0.867 296 R HN 0.265 nan 8.270 nan 0.000 0.465 297 G N -0.268 108.270 108.800 -0.437 0.000 2.509 297 G HA2 -0.173 3.788 3.960 0.001 0.000 0.218 297 G HA3 -0.173 3.788 3.960 0.001 0.000 0.218 297 G C 0.914 175.764 174.900 -0.083 0.000 1.124 297 G CA 0.287 45.332 45.100 -0.091 0.000 0.776 297 G HN 0.413 nan 8.290 nan 0.000 0.547 298 F N -0.120 119.673 119.950 -0.262 0.000 2.558 298 F HA 0.142 4.670 4.527 0.001 0.000 0.298 298 F C 2.534 178.136 175.800 -0.329 0.000 1.119 298 F CA 0.674 58.452 58.000 -0.371 0.000 1.451 298 F CB 0.416 39.083 39.000 -0.554 0.000 1.091 298 F HN 0.129 nan 8.300 nan 0.000 0.563 299 E N 0.712 120.860 120.200 -0.085 0.000 2.132 299 E HA 0.261 4.612 4.350 0.001 0.000 0.193 299 E C 0.041 176.654 176.600 0.022 0.000 0.951 299 E CA 0.721 57.084 56.400 -0.062 0.000 0.843 299 E CB 0.588 30.238 29.700 -0.082 0.000 0.807 299 E HN 0.121 nan 8.360 nan 0.000 0.467 300 A N 0.005 122.902 122.820 0.130 0.000 2.582 300 A HA 0.517 4.837 4.320 0.001 0.000 0.297 300 A C -1.713 176.224 177.584 0.589 0.000 1.059 300 A CA -0.728 51.467 52.037 0.263 0.000 0.705 300 A CB 0.394 19.482 19.000 0.147 0.000 1.279 300 A HN 0.238 nan 8.150 nan 0.000 0.404 301 Y N -1.070 119.580 120.300 0.583 0.000 2.576 301 Y HA 0.760 5.311 4.550 0.001 0.000 0.346 301 Y C -0.480 175.576 175.900 0.260 0.000 1.018 301 Y CA -1.636 56.815 58.100 0.584 0.000 1.050 301 Y CB 1.306 40.121 38.460 0.592 0.000 1.280 301 Y HN 0.808 nan 8.280 nan 0.000 0.474 302 W N 4.756 125.881 121.300 -0.292 0.000 2.416 302 W HA 0.298 4.959 4.660 0.001 0.000 0.318 302 W C -0.957 175.387 176.519 -0.293 0.000 1.150 302 W CA -0.239 56.656 57.345 -0.750 0.000 1.392 302 W CB 1.012 29.859 29.460 -1.021 0.000 1.311 302 W HN 0.885 nan 8.180 nan 0.000 0.436 303 E N 6.441 126.289 120.200 -0.586 0.000 2.130 303 E HA 0.270 4.621 4.350 0.001 0.000 0.284 303 E C -0.798 175.431 176.600 -0.619 0.000 1.018 303 E CA -0.373 55.794 56.400 -0.388 0.000 0.817 303 E CB 0.635 30.194 29.700 -0.235 0.000 1.078 303 E HN 0.451 nan 8.360 nan 0.000 0.396 304 I N 6.484 126.797 120.570 -0.428 0.000 2.354 304 I HA 0.303 4.473 4.170 0.001 0.000 0.292 304 I C -2.187 173.795 176.117 -0.224 0.000 0.989 304 I CA -2.740 58.345 61.300 -0.357 0.000 1.188 304 I CB 1.671 39.535 38.000 -0.226 0.000 1.342 304 I HN 0.388 nan 8.210 nan 0.000 0.457 305 P HA 0.030 nan 4.420 nan 0.000 0.267 305 P C 0.430 177.669 177.300 -0.101 0.000 1.209 305 P CA 0.056 63.074 63.100 -0.137 0.000 0.763 305 P CB 1.086 32.712 31.700 -0.124 0.000 0.816 306 A N 3.610 126.381 122.820 -0.080 0.000 2.032 306 A HA -0.208 4.113 4.320 0.001 0.000 0.221 306 A C 2.064 179.617 177.584 -0.051 0.000 1.165 306 A CA 2.267 54.267 52.037 -0.060 0.000 0.645 306 A CB -1.454 17.517 19.000 -0.048 0.000 0.807 306 A HN 0.587 nan 8.150 nan 0.000 0.453 307 S N -1.596 114.073 115.700 -0.052 0.000 2.447 307 S HA -0.083 4.388 4.470 0.001 0.000 0.233 307 S C 1.000 175.575 174.600 -0.041 0.000 1.006 307 S CA 0.539 58.712 58.200 -0.043 0.000 0.957 307 S CB -1.393 61.782 63.200 -0.042 0.000 0.773 307 S HN 0.663 nan 8.310 nan 0.000 0.507 308 C N 5.012 124.282 119.300 -0.049 0.000 2.576 308 C HA 0.438 4.899 4.460 0.001 0.000 0.401 308 C C -0.712 174.258 174.990 -0.033 0.000 1.314 308 C CA -1.956 57.036 59.018 -0.043 0.000 1.855 308 C CB 0.725 28.432 27.740 -0.054 0.000 2.537 308 C HN 0.399 nan 8.230 nan 0.000 0.578 309 P HA 0.020 nan 4.420 nan 0.000 0.233 309 P C 0.520 177.814 177.300 -0.011 0.000 1.167 309 P CA 1.174 64.265 63.100 -0.016 0.000 0.770 309 P CB 0.032 31.723 31.700 -0.014 0.000 0.837 310 T N -4.438 110.109 114.554 -0.012 0.000 2.633 310 T HA 0.692 5.042 4.350 0.001 0.000 0.262 310 T C 0.715 175.416 174.700 0.002 0.000 0.920 310 T CA -0.136 61.959 62.100 -0.007 0.000 1.062 310 T CB 1.032 69.894 68.868 -0.009 0.000 1.390 310 T HN -0.159 nan 8.240 nan 0.000 0.549 311 A N -0.073 122.761 122.820 0.024 0.000 2.430 311 A HA 0.539 4.859 4.320 0.001 0.000 0.243 311 A C 1.838 179.562 177.584 0.233 0.000 1.254 311 A CA -0.048 52.060 52.037 0.119 0.000 0.914 311 A CB -0.583 18.462 19.000 0.075 0.000 0.998 311 A HN 0.590 nan 8.150 nan 0.000 0.515 312 V N 0.440 120.420 119.914 0.109 0.000 2.407 312 V HA -0.233 3.887 4.120 0.001 0.000 0.248 312 V C 2.036 178.213 176.094 0.138 0.000 1.055 312 V CA 2.235 64.607 62.300 0.121 0.000 1.049 312 V CB -0.621 31.229 31.823 0.045 0.000 0.662 312 V HN 0.657 nan 8.190 nan 0.000 0.455 313 E N 0.275 120.496 120.200 0.035 0.000 2.511 313 E HA 0.116 4.467 4.350 0.001 0.000 0.196 313 E C 1.386 177.852 176.600 -0.224 0.000 1.066 313 E CA 0.250 56.615 56.400 -0.059 0.000 0.871 313 E CB -0.055 29.598 29.700 -0.078 0.000 0.863 313 E HN 0.668 nan 8.360 nan 0.000 0.520 314 G N 1.868 110.446 108.800 -0.370 0.000 2.631 314 G HA2 0.223 4.183 3.960 0.001 0.000 0.271 314 G HA3 0.223 4.183 3.960 0.001 0.000 0.271 314 G C -0.038 173.903 174.900 -1.598 0.000 1.302 314 G CA -0.435 43.941 45.100 -1.206 0.000 1.002 314 G HN 0.209 nan 8.290 nan 0.000 0.519 315 R N -2.152 117.202 120.500 -1.909 0.000 2.634 315 R HA 0.219 4.560 4.340 0.001 0.000 0.263 315 R C -1.976 173.865 176.300 -0.764 0.000 1.060 315 R CA -1.060 54.388 56.100 -1.087 0.000 0.898 315 R CB 0.728 30.751 30.300 -0.461 0.000 1.253 315 R HN 0.479 nan 8.270 nan 0.000 0.461 316 W N 2.047 123.284 121.300 -0.105 0.000 2.304 316 W HA 0.437 5.097 4.660 0.000 0.000 0.313 316 W C -0.254 176.149 176.519 -0.194 0.000 1.323 316 W CA -0.222 57.117 57.345 -0.011 0.000 1.223 316 W CB 1.519 31.059 29.460 0.133 0.000 1.237 316 W HN 0.181 nan 8.180 nan 0.000 0.535 317 V N 5.440 125.260 119.914 -0.157 0.000 2.540 317 V HA 0.282 4.402 4.120 0.001 0.000 0.302 317 V C 0.153 176.105 176.094 -0.237 0.000 1.035 317 V CA -1.644 60.467 62.300 -0.315 0.000 0.873 317 V CB 1.377 32.825 31.823 -0.624 0.000 0.992 317 V HN 0.251 nan 8.190 nan 0.000 0.428 318 K N 3.138 123.510 120.400 -0.046 0.000 2.350 318 K HA 0.635 4.956 4.320 0.001 0.000 0.279 318 K C 0.059 176.699 176.600 0.066 0.000 1.027 318 K CA 0.132 56.429 56.287 0.017 0.000 0.969 318 K CB 1.543 34.053 32.500 0.016 0.000 0.954 318 K HN 0.837 nan 8.250 nan 0.000 0.474 319 A N 3.988 126.826 122.820 0.030 0.000 2.356 319 A HA 0.507 4.828 4.320 0.001 0.000 0.323 319 A C -2.150 175.264 177.584 -0.285 0.000 1.119 319 A CA -1.466 50.453 52.037 -0.197 0.000 0.790 319 A CB 0.936 19.760 19.000 -0.293 0.000 1.273 319 A HN 0.469 nan 8.150 nan 0.000 0.452 320 P HA 0.090 nan 4.420 nan 0.000 0.237 320 P C 1.092 178.185 177.300 -0.345 0.000 1.723 320 P CA 0.472 63.435 63.100 -0.227 0.000 0.882 320 P CB -0.185 31.521 31.700 0.009 0.000 1.810 321 G N 1.871 110.482 108.800 -0.315 0.000 2.476 321 G HA2 -0.329 3.632 3.960 0.001 0.000 0.218 321 G HA3 -0.329 3.632 3.960 0.001 0.000 0.218 321 G C 1.488 176.278 174.900 -0.182 0.000 1.164 321 G CA 0.978 45.922 45.100 -0.261 0.000 0.768 321 G HN 0.343 nan 8.290 nan 0.000 0.560 322 E N 1.093 121.245 120.200 -0.080 0.000 2.049 322 E HA -0.170 4.181 4.350 0.001 0.000 0.198 322 E C 2.427 179.027 176.600 0.001 0.000 1.007 322 E CA 1.866 58.298 56.400 0.053 0.000 0.809 322 E CB -0.321 29.428 29.700 0.082 0.000 0.749 322 E HN 0.509 nan 8.360 nan 0.000 0.450 323 K N -0.247 120.115 120.400 -0.063 0.000 2.097 323 K HA -0.106 4.215 4.320 0.001 0.000 0.205 323 K C 2.196 178.585 176.600 -0.353 0.000 1.050 323 K CA 1.184 57.444 56.287 -0.045 0.000 0.938 323 K CB -0.304 32.281 32.500 0.142 0.000 0.718 323 K HN 0.153 nan 8.250 nan 0.000 0.442 324 L N 0.429 121.154 121.223 -0.830 0.000 2.017 324 L HA -0.078 4.262 4.340 0.001 0.000 0.208 324 L C 1.818 178.115 176.870 -0.955 0.000 1.073 324 L CA 1.699 55.707 54.840 -1.388 0.000 0.745 324 L CB -0.435 40.728 42.059 -1.493 0.000 0.894 324 L HN 0.015 nan 8.230 nan 0.000 0.432 325 F N -0.630 118.822 119.950 -0.830 0.000 2.407 325 F HA -0.106 4.422 4.527 0.001 0.000 0.299 325 F C 2.511 177.995 175.800 -0.527 0.000 1.097 325 F CA 0.774 58.218 58.000 -0.926 0.000 1.422 325 F CB -0.402 37.556 39.000 -1.738 0.000 1.067 325 F HN 0.180 nan 8.300 nan 0.000 0.539 326 Q N 0.299 120.040 119.800 -0.099 0.000 2.119 326 Q HA -0.188 4.153 4.340 0.001 0.000 0.201 326 Q C 2.226 178.251 176.000 0.041 0.000 0.972 326 Q CA 1.216 57.112 55.803 0.155 0.000 0.847 326 Q CB -0.335 28.496 28.738 0.155 0.000 0.903 326 Q HN 0.250 nan 8.270 nan 0.000 0.433 327 K N 0.966 121.325 120.400 -0.068 0.000 2.057 327 K HA -0.014 4.307 4.320 0.001 0.000 0.206 327 K C 1.963 178.534 176.600 -0.048 0.000 1.050 327 K CA 0.868 57.136 56.287 -0.033 0.000 0.935 327 K CB -0.366 32.141 32.500 0.013 0.000 0.715 327 K HN 0.123 nan 8.250 nan 0.000 0.439 328 I N 0.667 121.156 120.570 -0.135 0.000 2.226 328 I HA -0.307 3.863 4.170 0.001 0.000 0.245 328 I C 2.673 178.888 176.117 0.163 0.000 1.100 328 I CA 1.560 62.869 61.300 0.015 0.000 1.374 328 I CB -0.305 37.542 38.000 -0.255 0.000 1.057 328 I HN 0.405 nan 8.210 nan 0.000 0.413 329 Q N 1.339 121.200 119.800 0.102 0.000 2.084 329 Q HA -0.259 4.081 4.340 0.001 0.000 0.202 329 Q C 2.072 178.141 176.000 0.116 0.000 0.978 329 Q CA 2.122 58.025 55.803 0.167 0.000 0.844 329 Q CB -0.041 28.844 28.738 0.246 0.000 0.898 329 Q HN 0.668 nan 8.270 nan 0.000 0.426 330 E N -0.810 119.431 120.200 0.068 0.000 2.106 330 E HA -0.140 4.211 4.350 0.001 0.000 0.192 330 E C 1.889 178.468 176.600 -0.036 0.000 0.984 330 E CA 1.408 57.823 56.400 0.025 0.000 0.806 330 E CB -0.177 29.533 29.700 0.017 0.000 0.750 330 E HN 0.217 nan 8.360 nan 0.000 0.458 331 V N 0.265 120.118 119.914 -0.101 0.000 2.323 331 V HA -0.147 3.974 4.120 0.001 0.000 0.244 331 V C 1.674 177.522 176.094 -0.410 0.000 1.041 331 V CA 1.508 63.619 62.300 -0.315 0.000 1.025 331 V CB -0.491 31.015 31.823 -0.527 0.000 0.656 331 V HN 0.239 nan 8.190 nan 0.000 0.451 332 F N 0.424 120.374 119.950 -0.001 0.000 2.727 332 F HA 0.441 4.969 4.527 0.001 0.000 0.302 332 F C 1.908 177.724 175.800 0.027 0.000 1.097 332 F CA 0.655 58.663 58.000 0.013 0.000 1.330 332 F CB -0.249 38.759 39.000 0.014 0.000 1.084 332 F HN 0.264 nan 8.300 nan 0.000 0.578 333 G N 0.959 109.844 108.800 0.141 0.000 2.196 333 G HA2 -0.306 3.655 3.960 0.001 0.000 0.268 333 G HA3 -0.306 3.655 3.960 0.001 0.000 0.268 333 G C 0.137 175.115 174.900 0.130 0.000 0.975 333 G CA 0.852 46.018 45.100 0.109 0.000 0.648 333 G HN 0.528 nan 8.290 nan 0.000 0.538 334 E N -2.931 117.374 120.200 0.175 0.000 2.429 334 E HA 0.506 4.857 4.350 0.001 0.000 0.277 334 E C -1.527 175.171 176.600 0.163 0.000 1.130 334 E CA -0.834 55.656 56.400 0.151 0.000 0.875 334 E CB 0.936 30.709 29.700 0.122 0.000 1.443 334 E HN 0.512 nan 8.360 nan 0.000 0.444 335 V N 1.757 121.752 119.914 0.135 0.000 2.327 335 V HA 0.344 4.465 4.120 0.001 0.000 0.272 335 V C -2.161 173.975 176.094 0.069 0.000 1.019 335 V CA -1.115 61.252 62.300 0.112 0.000 0.814 335 V CB 1.172 33.109 31.823 0.191 0.000 1.040 335 V HN 0.541 nan 8.190 nan 0.000 0.440 336 P HA 0.218 nan 4.420 nan 0.000 0.220 336 P C -0.404 176.915 177.300 0.032 0.000 1.778 336 P CA 0.091 63.212 63.100 0.035 0.000 0.912 336 P CB 0.657 32.373 31.700 0.028 0.000 1.861 337 V N 1.736 121.673 119.914 0.040 0.000 2.628 337 V HA 0.364 4.484 4.120 0.001 0.000 0.306 337 V C 0.392 176.482 176.094 -0.006 0.000 1.045 337 V CA -0.876 61.454 62.300 0.050 0.000 0.905 337 V CB 2.609 34.513 31.823 0.134 0.000 0.997 337 V HN 0.127 nan 8.190 nan 0.000 0.436 338 L N 3.563 124.784 121.223 -0.004 0.000 2.317 338 L HA 0.780 5.121 4.340 0.001 0.000 0.281 338 L C 0.300 177.126 176.870 -0.074 0.000 1.024 338 L CA -0.597 54.212 54.840 -0.052 0.000 0.810 338 L CB 1.752 43.803 42.059 -0.014 0.000 1.240 338 L HN 0.741 nan 8.230 nan 0.000 0.427 339 A N 2.675 125.365 122.820 -0.217 0.000 2.260 339 A HA 0.302 4.623 4.320 0.001 0.000 0.308 339 A C -0.113 177.424 177.584 -0.079 0.000 1.254 339 A CA -0.445 51.405 52.037 -0.313 0.000 0.874 339 A CB 0.637 19.037 19.000 -1.001 0.000 1.153 339 A HN 0.679 nan 8.150 nan 0.000 0.527 340 E N 2.985 123.235 120.200 0.084 0.000 2.070 340 E HA 0.103 4.453 4.350 0.001 0.000 0.282 340 E C -0.981 175.712 176.600 0.154 0.000 1.104 340 E CA -0.159 56.304 56.400 0.106 0.000 0.876 340 E CB 0.558 30.336 29.700 0.130 0.000 1.055 340 E HN 0.623 nan 8.360 nan 0.000 0.401 341 D N 4.812 125.280 120.400 0.113 0.000 2.804 341 D HA 0.147 4.788 4.640 0.001 0.000 0.308 341 D C 0.485 176.883 176.300 0.165 0.000 1.371 341 D CA -0.373 53.712 54.000 0.141 0.000 0.823 341 D CB -0.392 40.451 40.800 0.071 0.000 1.126 341 D HN 0.239 nan 8.370 nan 0.000 0.467 342 L N 0.188 121.528 121.223 0.194 0.000 2.505 342 L HA 0.574 4.915 4.340 0.001 0.000 0.226 342 L C 1.520 178.530 176.870 0.234 0.000 1.211 342 L CA 0.192 55.189 54.840 0.262 0.000 0.828 342 L CB -0.097 42.101 42.059 0.231 0.000 1.331 342 L HN 0.357 nan 8.230 nan 0.000 0.513 343 G N -0.685 108.258 108.800 0.239 0.000 2.806 343 G HA2 -0.217 3.744 3.960 0.001 0.000 0.236 343 G HA3 -0.217 3.744 3.960 0.001 0.000 0.236 343 G C -0.578 174.397 174.900 0.125 0.000 1.387 343 G CA -0.606 44.596 45.100 0.169 0.000 0.884 343 G HN 0.467 nan 8.290 nan 0.000 0.560 344 V N 2.497 122.464 119.914 0.087 0.000 2.403 344 V HA 0.378 4.498 4.120 0.001 0.000 0.265 344 V C 1.274 177.387 176.094 0.032 0.000 1.034 344 V CA 0.354 62.676 62.300 0.037 0.000 1.036 344 V CB -0.105 31.715 31.823 -0.004 0.000 1.032 344 V HN 0.879 nan 8.190 nan 0.000 0.478 345 I N 2.675 123.250 120.570 0.010 0.000 3.100 345 I HA 0.718 4.889 4.170 0.001 0.000 0.312 345 I C -0.105 175.975 176.117 -0.062 0.000 1.063 345 I CA -0.623 60.671 61.300 -0.011 0.000 1.031 345 I CB 1.815 39.833 38.000 0.031 0.000 1.243 345 I HN 0.454 nan 8.210 nan 0.000 0.483 346 T N 1.078 115.581 114.554 -0.085 0.000 2.942 346 T HA 0.534 4.884 4.350 0.001 0.000 0.289 346 T C -2.108 172.554 174.700 -0.063 0.000 1.044 346 T CA -1.700 60.338 62.100 -0.103 0.000 1.023 346 T CB 1.735 70.500 68.868 -0.172 0.000 1.123 346 T HN 0.463 nan 8.240 nan 0.000 0.512 347 P HA -0.043 nan 4.420 nan 0.000 0.218 347 P C 0.691 177.972 177.300 -0.032 0.000 1.146 347 P CA 1.064 64.141 63.100 -0.040 0.000 0.813 347 P CB 0.236 31.912 31.700 -0.040 0.000 0.778 348 E N -1.240 118.932 120.200 -0.046 0.000 2.158 348 E HA -0.076 4.274 4.350 0.001 0.000 0.191 348 E C 1.933 178.526 176.600 -0.012 0.000 0.982 348 E CA 0.658 57.036 56.400 -0.035 0.000 0.823 348 E CB -0.861 28.806 29.700 -0.055 0.000 0.766 348 E HN 0.035 nan 8.360 nan 0.000 0.468 349 V N 1.391 121.298 119.914 -0.010 0.000 2.307 349 V HA -0.243 3.878 4.120 0.001 0.000 0.245 349 V C 1.908 178.063 176.094 0.102 0.000 1.045 349 V CA 1.921 64.253 62.300 0.053 0.000 1.024 349 V CB -0.458 31.394 31.823 0.049 0.000 0.651 349 V HN 0.262 nan 8.190 nan 0.000 0.449 350 E N 0.657 120.883 120.200 0.043 0.000 2.110 350 E HA -0.209 4.142 4.350 0.001 0.000 0.193 350 E C 2.308 178.918 176.600 0.016 0.000 0.988 350 E CA 1.341 57.756 56.400 0.024 0.000 0.804 350 E CB -0.364 29.337 29.700 0.001 0.000 0.745 350 E HN 0.601 nan 8.360 nan 0.000 0.458 351 A N 1.372 124.199 122.820 0.011 0.000 1.902 351 A HA -0.162 4.159 4.320 0.001 0.000 0.217 351 A C 2.198 179.793 177.584 0.018 0.000 1.181 351 A CA 1.071 53.108 52.037 -0.001 0.000 0.623 351 A CB -0.515 18.480 19.000 -0.010 0.000 0.818 351 A HN 0.222 nan 8.150 nan 0.000 0.443 352 L N -0.141 121.118 121.223 0.060 0.000 2.056 352 L HA -0.102 4.239 4.340 0.001 0.000 0.207 352 L C 2.468 179.425 176.870 0.145 0.000 1.078 352 L CA 2.333 57.243 54.840 0.115 0.000 0.749 352 L CB -0.567 41.540 42.059 0.080 0.000 0.901 352 L HN 0.476 nan 8.230 nan 0.000 0.433 353 R N -0.476 120.091 120.500 0.113 0.000 2.080 353 R HA -0.187 4.153 4.340 0.001 0.000 0.236 353 R C 1.856 178.098 176.300 -0.097 0.000 1.137 353 R CA 2.140 58.180 56.100 -0.101 0.000 0.943 353 R CB -0.472 29.708 30.300 -0.201 0.000 0.846 353 R HN 0.428 nan 8.270 nan 0.000 0.431 354 D N -0.094 120.263 120.400 -0.071 0.000 2.178 354 D HA -0.159 4.482 4.640 0.001 0.000 0.202 354 D C 1.934 178.160 176.300 -0.123 0.000 0.974 354 D CA 0.804 54.741 54.000 -0.105 0.000 0.841 354 D CB -0.312 40.438 40.800 -0.084 0.000 0.953 354 D HN 0.286 nan 8.370 nan 0.000 0.478 355 R N -0.160 120.272 120.500 -0.114 0.000 2.103 355 R HA -0.133 4.208 4.340 0.001 0.000 0.242 355 R C 1.116 177.145 176.300 -0.451 0.000 1.142 355 R CA 1.131 57.067 56.100 -0.274 0.000 0.960 355 R CB -0.182 29.943 30.300 -0.292 0.000 0.858 355 R HN 0.132 nan 8.270 nan 0.000 0.439 356 F N -0.211 119.658 119.950 -0.134 0.000 2.639 356 F HA 0.330 4.858 4.527 0.001 0.000 0.300 356 F C 1.129 176.856 175.800 -0.121 0.000 1.109 356 F CA 0.318 58.251 58.000 -0.113 0.000 1.335 356 F CB 0.891 39.812 39.000 -0.131 0.000 1.014 356 F HN 0.209 nan 8.300 nan 0.000 0.537 357 G N 1.682 110.450 108.800 -0.053 0.000 2.323 357 G HA2 -0.301 3.659 3.960 0.001 0.000 0.292 357 G HA3 -0.301 3.659 3.960 0.001 0.000 0.292 357 G C -0.047 174.798 174.900 -0.093 0.000 1.040 357 G CA -0.169 44.873 45.100 -0.097 0.000 0.942 357 G HN 0.340 nan 8.290 nan 0.000 0.506 358 L N 1.289 122.435 121.223 -0.129 0.000 2.276 358 L HA 0.392 4.733 4.340 0.001 0.000 0.286 358 L C -1.442 175.310 176.870 -0.197 0.000 1.061 358 L CA -2.140 52.591 54.840 -0.182 0.000 0.807 358 L CB 1.307 43.169 42.059 -0.328 0.000 1.177 358 L HN 0.024 nan 8.230 nan 0.000 0.429 359 P HA 0.140 nan 4.420 nan 0.000 0.275 359 P C -0.186 177.029 177.300 -0.141 0.000 1.227 359 P CA -0.077 62.954 63.100 -0.114 0.000 0.781 359 P CB 1.574 33.220 31.700 -0.090 0.000 0.906 360 G N 2.041 110.776 108.800 -0.109 0.000 2.671 360 G HA2 0.673 4.633 3.960 0.001 0.000 0.275 360 G HA3 0.673 4.633 3.960 0.001 0.000 0.275 360 G C -0.627 174.247 174.900 -0.043 0.000 1.368 360 G CA -0.895 44.147 45.100 -0.096 0.000 1.044 360 G HN 0.422 nan 8.290 nan 0.000 0.543 361 M N -0.631 118.975 119.600 0.010 0.000 2.724 361 M HA 0.552 5.032 4.480 0.001 0.000 0.310 361 M C -0.839 175.508 176.300 0.077 0.000 1.217 361 M CA -0.816 54.525 55.300 0.068 0.000 0.894 361 M CB 2.614 35.279 32.600 0.109 0.000 1.719 361 M HN 0.124 nan 8.290 nan 0.000 0.479 362 K N 1.382 121.814 120.400 0.053 0.000 2.535 362 K HA 0.591 4.912 4.320 0.001 0.000 0.251 362 K C -1.856 174.683 176.600 -0.101 0.000 0.942 362 K CA -0.563 55.770 56.287 0.076 0.000 0.798 362 K CB 2.499 34.851 32.500 -0.247 0.000 1.267 362 K HN 0.492 nan 8.250 nan 0.000 0.434 363 V N 4.835 124.430 119.914 -0.531 0.000 2.376 363 V HA 0.222 4.343 4.120 0.001 0.000 0.287 363 V C 1.554 177.234 176.094 -0.691 0.000 1.015 363 V CA -0.549 61.352 62.300 -0.664 0.000 0.834 363 V CB 1.278 32.494 31.823 -1.012 0.000 1.001 363 V HN 0.700 nan 8.190 nan 0.000 0.428 364 L N 2.567 123.538 121.223 -0.420 0.000 2.127 364 L HA -0.203 4.137 4.340 0.001 0.000 0.211 364 L C 2.351 178.906 176.870 -0.525 0.000 1.089 364 L CA 1.616 56.230 54.840 -0.376 0.000 0.757 364 L CB -0.216 41.715 42.059 -0.214 0.000 0.899 364 L HN 0.717 nan 8.230 nan 0.000 0.434 365 Q N -0.697 118.611 119.800 -0.819 0.000 2.364 365 Q HA -0.124 4.216 4.340 0.001 0.000 0.209 365 Q C 1.627 177.356 176.000 -0.451 0.000 0.977 365 Q CA 1.191 56.294 55.803 -1.167 0.000 0.885 365 Q CB 0.042 27.895 28.738 -1.475 0.000 0.941 365 Q HN 0.578 nan 8.270 nan 0.000 0.464 366 F N -1.752 117.952 119.950 -0.411 0.000 2.695 366 F HA 0.268 4.796 4.527 0.001 0.000 0.303 366 F C 1.691 177.478 175.800 -0.020 0.000 1.091 366 F CA -0.510 57.384 58.000 -0.176 0.000 1.300 366 F CB 0.475 39.275 39.000 -0.333 0.000 1.071 366 F HN 0.018 nan 8.300 nan 0.000 0.578 367 A N -0.443 122.289 122.820 -0.147 0.000 2.208 367 A HA 0.092 4.412 4.320 0.001 0.000 0.209 367 A C 0.826 178.025 177.584 -0.642 0.000 1.161 367 A CA 0.606 52.370 52.037 -0.456 0.000 0.782 367 A CB -0.733 17.715 19.000 -0.920 0.000 0.816 367 A HN 0.405 nan 8.150 nan 0.000 0.477 368 F N -0.174 119.892 119.950 0.193 0.000 2.698 368 F HA 0.155 4.682 4.527 0.000 0.000 0.304 368 F C 0.911 176.998 175.800 0.479 0.000 1.108 368 F CA -0.320 57.855 58.000 0.292 0.000 1.263 368 F CB 0.534 39.614 39.000 0.134 0.000 1.013 368 F HN 0.256 nan 8.300 nan 0.000 0.532 369 D N -1.695 119.006 120.400 0.500 0.000 2.340 369 D HA 0.023 4.664 4.640 0.001 0.000 0.220 369 D C 0.686 177.197 176.300 0.351 0.000 1.039 369 D CA 0.635 54.891 54.000 0.428 0.000 0.866 369 D CB 0.386 41.340 40.800 0.256 0.000 0.913 369 D HN 0.202 nan 8.370 nan 0.000 0.523 370 D N -0.996 119.645 120.400 0.401 0.000 3.612 370 D HA 0.411 5.052 4.640 0.001 0.000 0.152 370 D C 0.222 176.650 176.300 0.214 0.000 1.365 370 D CA 0.273 54.408 54.000 0.225 0.000 1.440 370 D CB 0.650 41.516 40.800 0.111 0.000 1.533 370 D HN 0.081 nan 8.370 nan 0.000 0.347 371 G N -0.165 108.711 108.800 0.127 0.000 3.209 371 G HA2 0.385 4.346 3.960 0.001 0.000 0.236 371 G HA3 0.385 4.346 3.960 0.001 0.000 0.236 371 G C 0.539 175.581 174.900 0.236 0.000 1.329 371 G CA -0.242 44.874 45.100 0.027 0.000 1.015 371 G HN 0.235 nan 8.290 nan 0.000 0.571 372 M N 0.184 119.931 119.600 0.245 0.000 2.700 372 M HA 0.029 4.510 4.480 0.001 0.000 0.249 372 M C 1.700 178.207 176.300 0.344 0.000 1.082 372 M CA 0.832 56.392 55.300 0.433 0.000 1.077 372 M CB -0.814 32.003 32.600 0.361 0.000 1.477 372 M HN 0.610 nan 8.290 nan 0.000 0.529 373 E N -0.568 119.744 120.200 0.187 0.000 2.442 373 E HA 0.035 4.385 4.350 0.001 0.000 0.195 373 E C 0.709 177.321 176.600 0.021 0.000 1.030 373 E CA -0.127 56.330 56.400 0.096 0.000 0.869 373 E CB -0.460 29.277 29.700 0.062 0.000 0.857 373 E HN 0.247 nan 8.360 nan 0.000 0.505 374 N N 2.378 121.104 118.700 0.044 0.000 2.374 374 N HA -0.042 4.699 4.740 0.001 0.000 0.269 374 N C -1.721 173.706 175.510 -0.140 0.000 1.310 374 N CA -0.984 52.049 53.050 -0.029 0.000 0.877 374 N CB 0.890 39.397 38.487 0.033 0.000 1.096 374 N HN -0.115 nan 8.380 nan 0.000 0.484 375 P HA -0.079 nan 4.420 nan 0.000 0.221 375 P C 0.563 177.727 177.300 -0.226 0.000 1.145 375 P CA 1.209 64.124 63.100 -0.309 0.000 0.795 375 P CB -0.005 31.414 31.700 -0.469 0.000 0.775 376 F N -1.699 118.250 119.950 -0.002 0.000 2.780 376 F HA 0.085 4.612 4.527 0.001 0.000 0.299 376 F C 1.118 176.874 175.800 -0.073 0.000 1.146 376 F CA -0.393 57.626 58.000 0.030 0.000 1.428 376 F CB -0.163 38.799 39.000 -0.062 0.000 1.115 376 F HN -0.207 nan 8.300 nan 0.000 0.583 377 L N 1.670 122.801 121.223 -0.154 0.000 2.331 377 L HA 0.118 4.458 4.340 0.001 0.000 0.278 377 L C -1.314 175.194 176.870 -0.604 0.000 1.106 377 L CA -1.802 52.764 54.840 -0.456 0.000 0.824 377 L CB 0.661 42.456 42.059 -0.439 0.000 1.142 377 L HN -0.188 nan 8.230 nan 0.000 0.443 378 P HA -0.262 nan 4.420 nan 0.000 0.218 378 P C 1.337 178.293 177.300 -0.573 0.000 1.154 378 P CA 1.555 63.893 63.100 -1.271 0.000 0.872 378 P CB -0.144 31.011 31.700 -0.908 0.000 0.790 379 H N -2.188 116.900 119.070 0.030 0.000 2.543 379 H HA 0.050 4.607 4.556 0.001 0.000 0.286 379 H C 0.817 176.187 175.328 0.070 0.000 1.037 379 H CA 0.915 57.078 56.048 0.193 0.000 1.250 379 H CB -0.880 29.081 29.762 0.331 0.000 1.373 379 H HN 0.153 nan 8.280 nan 0.000 0.580 380 N N 0.333 118.747 118.700 -0.477 0.000 2.280 380 N HA -0.024 4.717 4.740 0.001 0.000 0.192 380 N C -0.378 175.150 175.510 0.029 0.000 1.109 380 N CA -0.077 52.818 53.050 -0.258 0.000 0.855 380 N CB 0.115 38.405 38.487 -0.328 0.000 0.974 380 N HN 0.191 nan 8.380 nan 0.000 0.482 381 Y N 1.570 121.813 120.300 -0.094 0.000 2.379 381 Y HA 0.246 4.796 4.550 0.001 0.000 0.337 381 Y C -1.528 174.297 175.900 -0.125 0.000 1.238 381 Y CA -2.938 55.106 58.100 -0.093 0.000 1.405 381 Y CB -0.909 37.517 38.460 -0.056 0.000 1.310 381 Y HN -0.081 nan 8.280 nan 0.000 0.569 382 P HA 0.087 nan 4.420 nan 0.000 0.265 382 P C 0.066 177.198 177.300 -0.281 0.000 1.193 382 P CA 0.270 63.185 63.100 -0.309 0.000 0.765 382 P CB 0.746 31.984 31.700 -0.770 0.000 0.823 383 A N 3.125 125.839 122.820 -0.177 0.000 2.019 383 A HA -0.223 4.098 4.320 0.001 0.000 0.219 383 A C 1.635 179.195 177.584 -0.041 0.000 1.164 383 A CA 1.821 53.823 52.037 -0.058 0.000 0.644 383 A CB -1.479 17.520 19.000 -0.001 0.000 0.805 383 A HN 0.809 nan 8.150 nan 0.000 0.449 384 H N -2.490 116.600 119.070 0.032 0.000 2.546 384 H HA 0.326 4.883 4.556 0.001 0.000 0.277 384 H C 1.383 176.723 175.328 0.020 0.000 1.004 384 H CA 0.505 56.564 56.048 0.019 0.000 1.231 384 H CB -0.967 28.795 29.762 0.001 0.000 1.382 384 H HN 0.528 nan 8.280 nan 0.000 0.580 385 G N 0.758 109.532 108.800 -0.044 0.000 2.200 385 G HA2 -0.456 3.504 3.960 0.001 0.000 0.267 385 G HA3 -0.456 3.504 3.960 0.001 0.000 0.267 385 G C 0.747 175.716 174.900 0.116 0.000 0.993 385 G CA 0.388 45.512 45.100 0.041 0.000 0.701 385 G HN 0.621 nan 8.290 nan 0.000 0.524 386 R N 0.149 120.869 120.500 0.367 0.000 4.154 386 R HA 0.416 4.756 4.340 0.001 0.000 0.186 386 R C 0.314 176.663 176.300 0.081 0.000 1.750 386 R CA 0.566 56.781 56.100 0.192 0.000 1.431 386 R CB -0.336 30.020 30.300 0.094 0.000 1.383 386 R HN 0.645 nan 8.270 nan 0.000 0.788 387 V N -1.768 118.129 119.914 -0.027 0.000 3.147 387 V HA 0.527 4.648 4.120 0.001 0.000 0.306 387 V C -0.662 175.334 176.094 -0.163 0.000 1.209 387 V CA -1.074 61.159 62.300 -0.112 0.000 1.023 387 V CB 2.351 34.048 31.823 -0.210 0.000 1.059 387 V HN -0.114 nan 8.190 nan 0.000 0.435 388 V N 2.659 122.467 119.914 -0.177 0.000 2.384 388 V HA 0.563 4.683 4.120 0.001 0.000 0.287 388 V C 0.046 175.953 176.094 -0.311 0.000 1.020 388 V CA -0.494 61.642 62.300 -0.274 0.000 0.850 388 V CB 1.446 33.116 31.823 -0.255 0.000 0.987 388 V HN 0.909 nan 8.190 nan 0.000 0.436 389 V N 7.054 126.745 119.914 -0.372 0.000 2.481 389 V HA 0.626 4.746 4.120 0.001 0.000 0.286 389 V C -1.132 174.719 176.094 -0.406 0.000 1.042 389 V CA -0.109 62.038 62.300 -0.255 0.000 0.928 389 V CB 1.357 33.141 31.823 -0.064 0.000 0.986 389 V HN 0.743 nan 8.190 nan 0.000 0.462 390 Y N 2.889 123.121 120.300 -0.114 0.000 2.562 390 Y HA 0.456 5.007 4.550 0.001 0.000 0.343 390 Y C 1.468 177.339 175.900 -0.049 0.000 1.025 390 Y CA -0.139 57.923 58.100 -0.064 0.000 1.082 390 Y CB 2.241 40.615 38.460 -0.144 0.000 1.264 390 Y HN 0.711 nan 8.280 nan 0.000 0.478 391 T N -1.903 112.764 114.554 0.188 0.000 2.894 391 T HA 0.399 4.750 4.350 0.001 0.000 0.258 391 T C 0.717 175.229 174.700 -0.314 0.000 1.043 391 T CA 0.723 62.746 62.100 -0.129 0.000 1.141 391 T CB -0.127 68.601 68.868 -0.234 0.000 0.873 391 T HN 0.850 nan 8.240 nan 0.000 0.449 392 G N 0.596 109.265 108.800 -0.217 0.000 2.673 392 G HA2 0.513 4.473 3.960 0.001 0.000 0.292 392 G HA3 0.513 4.473 3.960 0.001 0.000 0.292 392 G C -0.601 174.136 174.900 -0.272 0.000 1.450 392 G CA -0.283 44.589 45.100 -0.380 0.000 0.837 392 G HN 0.430 nan 8.290 nan 0.000 0.505 393 T N -2.287 112.028 114.554 -0.398 0.000 2.888 393 T HA 0.375 4.725 4.350 0.001 0.000 0.283 393 T C 1.652 176.185 174.700 -0.278 0.000 1.013 393 T CA 0.336 62.216 62.100 -0.366 0.000 0.938 393 T CB 0.920 69.473 68.868 -0.525 0.000 1.298 393 T HN 0.857 nan 8.240 nan 0.000 0.580 394 H N -0.400 118.591 119.070 -0.132 0.000 2.489 394 H HA -0.005 4.552 4.556 0.001 0.000 0.293 394 H C 0.631 175.872 175.328 -0.145 0.000 1.066 394 H CA 1.243 57.251 56.048 -0.067 0.000 1.305 394 H CB -0.495 29.327 29.762 0.099 0.000 1.386 394 H HN 0.538 nan 8.280 nan 0.000 0.551 395 D N 0.688 120.646 120.400 -0.737 0.000 2.349 395 D HA 0.039 4.680 4.640 0.001 0.000 0.215 395 D C -0.008 176.097 176.300 -0.325 0.000 1.016 395 D CA 0.114 53.828 54.000 -0.477 0.000 0.870 395 D CB 0.065 40.583 40.800 -0.469 0.000 0.917 395 D HN 0.534 nan 8.370 nan 0.000 0.524 396 N N 0.360 118.860 118.700 -0.335 0.000 2.477 396 N HA 0.129 4.870 4.740 0.001 0.000 0.284 396 N C -0.213 175.135 175.510 -0.270 0.000 1.182 396 N CA -0.724 52.151 53.050 -0.293 0.000 0.949 396 N CB 1.396 39.655 38.487 -0.381 0.000 1.204 396 N HN -0.190 nan 8.380 nan 0.000 0.526 397 D N -0.131 120.131 120.400 -0.231 0.000 2.377 397 D HA 0.053 4.694 4.640 0.001 0.000 0.245 397 D C -0.067 176.140 176.300 -0.156 0.000 1.196 397 D CA -0.177 53.711 54.000 -0.187 0.000 0.962 397 D CB 0.661 41.389 40.800 -0.119 0.000 1.127 397 D HN 0.531 nan 8.370 nan 0.000 0.471 398 T N -1.352 113.114 114.554 -0.148 0.000 2.856 398 T HA 0.072 4.422 4.350 0.001 0.000 0.306 398 T C 1.372 176.029 174.700 -0.072 0.000 1.062 398 T CA -0.209 61.795 62.100 -0.161 0.000 1.083 398 T CB 0.448 69.207 68.868 -0.181 0.000 0.984 398 T HN 0.319 nan 8.240 nan 0.000 0.542 399 T N 1.367 115.860 114.554 -0.103 0.000 2.788 399 T HA -0.088 4.262 4.350 0.001 0.000 0.268 399 T C 1.772 176.566 174.700 0.156 0.000 1.044 399 T CA 1.284 63.380 62.100 -0.007 0.000 1.139 399 T CB -0.406 68.370 68.868 -0.154 0.000 0.867 399 T HN 0.529 nan 8.240 nan 0.000 0.454 400 L N 1.357 122.604 121.223 0.039 0.000 2.093 400 L HA 0.180 4.521 4.340 0.001 0.000 0.208 400 L C 2.467 179.402 176.870 0.109 0.000 1.085 400 L CA 1.837 56.720 54.840 0.072 0.000 0.755 400 L CB -1.121 40.945 42.059 0.012 0.000 0.904 400 L HN 0.245 nan 8.230 nan 0.000 0.435 401 G N -1.128 107.709 108.800 0.063 0.000 2.402 401 G HA2 -0.358 3.602 3.960 0.001 0.000 0.216 401 G HA3 -0.358 3.602 3.960 0.001 0.000 0.216 401 G C 1.372 176.315 174.900 0.072 0.000 1.162 401 G CA 0.667 45.790 45.100 0.039 0.000 0.777 401 G HN 0.654 nan 8.290 nan 0.000 0.539 402 W N 0.411 121.673 121.300 -0.065 0.000 2.355 402 W HA -0.125 4.535 4.660 0.001 0.000 0.309 402 W C 2.182 178.699 176.519 -0.004 0.000 1.206 402 W CA 1.470 58.783 57.345 -0.053 0.000 1.284 402 W CB -0.506 28.913 29.460 -0.069 0.000 1.145 402 W HN 0.194 nan 8.180 nan 0.000 0.502 403 Y N 1.575 121.784 120.300 -0.151 0.000 2.165 403 Y HA -0.224 4.326 4.550 0.001 0.000 0.286 403 Y C 2.520 178.196 175.900 -0.373 0.000 1.155 403 Y CA 2.646 60.469 58.100 -0.461 0.000 1.164 403 Y CB -0.727 37.650 38.460 -0.138 0.000 0.978 403 Y HN -0.087 nan 8.280 nan 0.000 0.513 404 R N -1.018 119.376 120.500 -0.177 0.000 2.193 404 R HA -0.099 4.241 4.340 0.001 0.000 0.229 404 R C 1.523 177.670 176.300 -0.254 0.000 1.110 404 R CA 1.629 57.614 56.100 -0.192 0.000 0.988 404 R CB -0.384 29.887 30.300 -0.049 0.000 0.871 404 R HN 0.493 nan 8.270 nan 0.000 0.458 405 T N -3.514 110.861 114.554 -0.299 0.000 3.084 405 T HA 0.420 4.771 4.350 0.001 0.000 0.270 405 T C 0.485 174.973 174.700 -0.354 0.000 1.008 405 T CA -0.253 61.695 62.100 -0.253 0.000 0.900 405 T CB 0.608 69.389 68.868 -0.145 0.000 1.084 405 T HN 0.115 nan 8.240 nan 0.000 0.538 406 A N 2.532 124.993 122.820 -0.598 0.000 2.406 406 A HA 0.556 4.877 4.320 0.001 0.000 0.243 406 A C 0.970 178.332 177.584 -0.370 0.000 1.082 406 A CA -0.199 51.450 52.037 -0.646 0.000 0.786 406 A CB -0.100 18.236 19.000 -1.106 0.000 1.029 406 A HN 0.635 nan 8.150 nan 0.000 0.495 407 T N -0.419 114.012 114.554 -0.206 0.000 2.899 407 T HA 0.348 4.698 4.350 0.001 0.000 0.295 407 T C -1.911 172.740 174.700 -0.081 0.000 1.033 407 T CA -1.084 60.960 62.100 -0.094 0.000 1.084 407 T CB 0.641 69.517 68.868 0.014 0.000 0.979 407 T HN 0.337 nan 8.240 nan 0.000 0.532 408 P HA -0.175 nan 4.420 nan 0.000 0.216 408 P C 1.309 178.631 177.300 0.037 0.000 1.153 408 P CA 1.476 64.562 63.100 -0.024 0.000 0.858 408 P CB -0.130 31.570 31.700 0.000 0.000 0.789 409 H N -0.130 118.948 119.070 0.014 0.000 2.321 409 H HA -0.097 4.460 4.556 0.002 0.000 0.300 409 H C 1.896 177.317 175.328 0.155 0.000 1.087 409 H CA 1.836 57.927 56.048 0.072 0.000 1.319 409 H CB -0.383 29.414 29.762 0.059 0.000 1.379 409 H HN 0.109 nan 8.280 nan 0.000 0.501 410 E N 0.302 120.562 120.200 0.100 0.000 2.031 410 E HA -0.180 4.171 4.350 0.001 0.000 0.193 410 E C 2.222 178.834 176.600 0.020 0.000 0.994 410 E CA 1.332 57.812 56.400 0.134 0.000 0.800 410 E CB 0.043 29.828 29.700 0.141 0.000 0.752 410 E HN 0.486 nan 8.360 nan 0.000 0.447 411 K N 0.170 120.518 120.400 -0.087 0.000 2.063 411 K HA -0.164 4.156 4.320 0.001 0.000 0.208 411 K C 2.144 178.779 176.600 0.058 0.000 1.048 411 K CA 1.174 57.429 56.287 -0.053 0.000 0.928 411 K CB -0.151 32.229 32.500 -0.200 0.000 0.713 411 K HN 0.066 nan 8.250 nan 0.000 0.442 412 A N 1.090 123.932 122.820 0.037 0.000 1.898 412 A HA -0.160 4.161 4.320 0.001 0.000 0.216 412 A C 1.971 179.636 177.584 0.135 0.000 1.181 412 A CA 1.074 53.156 52.037 0.075 0.000 0.620 412 A CB -0.608 18.422 19.000 0.051 0.000 0.819 412 A HN 0.331 nan 8.150 nan 0.000 0.442 413 F N 0.221 120.103 119.950 -0.112 0.000 2.186 413 F HA -0.105 4.423 4.527 0.002 0.000 0.299 413 F C 2.161 177.969 175.800 0.013 0.000 1.090 413 F CA 1.483 59.461 58.000 -0.037 0.000 1.307 413 F CB -0.461 38.465 39.000 -0.124 0.000 1.019 413 F HN 0.288 nan 8.300 nan 0.000 0.489 414 M N -0.057 119.366 119.600 -0.295 0.000 2.067 414 M HA -0.152 4.328 4.480 0.001 0.000 0.260 414 M C 2.312 178.477 176.300 -0.225 0.000 1.069 414 M CA 2.133 56.933 55.300 -0.834 0.000 1.117 414 M CB -0.527 31.569 32.600 -0.841 0.000 1.334 414 M HN 0.170 nan 8.290 nan 0.000 0.407 415 A N 0.522 123.366 122.820 0.040 0.000 1.908 415 A HA -0.247 4.073 4.320 0.001 0.000 0.218 415 A C 2.058 179.721 177.584 0.133 0.000 1.181 415 A CA 2.155 54.309 52.037 0.195 0.000 0.627 415 A CB -0.748 18.373 19.000 0.202 0.000 0.818 415 A HN 0.591 nan 8.150 nan 0.000 0.445 416 R N -1.450 119.139 120.500 0.148 0.000 2.075 416 R HA -0.135 4.205 4.340 0.001 0.000 0.232 416 R C 1.891 178.309 176.300 0.197 0.000 1.126 416 R CA 1.986 58.192 56.100 0.176 0.000 0.963 416 R CB -1.142 29.309 30.300 0.250 0.000 0.858 416 R HN 0.577 nan 8.270 nan 0.000 0.435 417 Y N 0.308 120.656 120.300 0.081 0.000 2.200 417 Y HA -0.081 4.469 4.550 0.001 0.000 0.290 417 Y C 1.805 177.796 175.900 0.152 0.000 1.137 417 Y CA 1.834 59.995 58.100 0.102 0.000 1.163 417 Y CB -0.119 38.306 38.460 -0.058 0.000 0.988 417 Y HN 0.039 nan 8.280 nan 0.000 0.518 418 L N -0.668 120.666 121.223 0.186 0.000 2.046 418 L HA -0.259 4.082 4.340 0.001 0.000 0.208 418 L C 2.760 179.702 176.870 0.119 0.000 1.077 418 L CA 1.211 56.138 54.840 0.144 0.000 0.747 418 L CB -0.984 41.160 42.059 0.141 0.000 0.896 418 L HN 0.310 nan 8.230 nan 0.000 0.432 419 A N -0.144 122.731 122.820 0.091 0.000 1.940 419 A HA -0.257 4.064 4.320 0.001 0.000 0.219 419 A C 1.895 179.490 177.584 0.018 0.000 1.176 419 A CA 2.095 54.160 52.037 0.047 0.000 0.631 419 A CB -0.566 18.454 19.000 0.034 0.000 0.814 419 A HN 0.392 nan 8.150 nan 0.000 0.446 420 D N -1.585 118.817 120.400 0.002 0.000 2.218 420 D HA -0.143 4.497 4.640 0.001 0.000 0.204 420 D C 0.782 176.997 176.300 -0.142 0.000 0.976 420 D CA 0.879 54.827 54.000 -0.087 0.000 0.853 420 D CB -0.270 40.439 40.800 -0.153 0.000 0.939 420 D HN 0.750 nan 8.370 nan 0.000 0.481 421 W N 0.577 121.742 121.300 -0.225 0.000 3.305 421 W HA 0.381 5.041 4.660 0.001 0.000 0.392 421 W C 1.265 177.698 176.519 -0.144 0.000 1.121 421 W CA 0.127 57.360 57.345 -0.187 0.000 1.909 421 W CB -0.091 29.258 29.460 -0.185 0.000 1.065 421 W HN -0.008 nan 8.180 nan 0.000 0.714 422 G N 1.201 110.013 108.800 0.019 0.000 2.225 422 G HA2 -0.324 3.637 3.960 0.001 0.000 0.267 422 G HA3 -0.324 3.637 3.960 0.001 0.000 0.267 422 G C -0.061 174.845 174.900 0.011 0.000 1.024 422 G CA 0.101 45.199 45.100 -0.003 0.000 0.784 422 G HN 0.294 nan 8.290 nan 0.000 0.507 423 I N -0.282 120.313 120.570 0.042 0.000 2.474 423 I HA 0.697 4.868 4.170 0.001 0.000 0.294 423 I C 0.347 176.528 176.117 0.106 0.000 1.005 423 I CA -0.651 60.683 61.300 0.057 0.000 1.113 423 I CB 2.398 40.418 38.000 0.033 0.000 1.289 423 I HN 0.147 nan 8.210 nan 0.000 0.436 424 T N 4.980 119.612 114.554 0.130 0.000 2.804 424 T HA 0.828 5.179 4.350 0.001 0.000 0.290 424 T C -1.544 173.302 174.700 0.245 0.000 1.099 424 T CA -0.440 61.730 62.100 0.117 0.000 1.011 424 T CB 1.548 70.410 68.868 -0.010 0.000 1.291 424 T HN 0.459 nan 8.240 nan 0.000 0.523 425 F N -0.568 119.376 119.950 -0.010 0.000 2.741 425 F HA 0.752 5.280 4.527 0.001 0.000 0.311 425 F C 0.114 175.901 175.800 -0.022 0.000 1.149 425 F CA -1.051 56.938 58.000 -0.019 0.000 0.930 425 F CB 0.933 39.906 39.000 -0.046 0.000 1.312 425 F HN 0.391 nan 8.300 nan 0.000 0.450 426 R N 0.380 120.948 120.500 0.113 0.000 2.191 426 R HA 0.177 4.517 4.340 0.001 0.000 0.187 426 R C -0.305 176.063 176.300 0.113 0.000 1.078 426 R CA 0.686 56.791 56.100 0.008 0.000 1.139 426 R CB -0.179 30.123 30.300 0.004 0.000 1.120 426 R HN 0.914 nan 8.270 nan 0.000 0.536 427 E N 1.719 122.013 120.200 0.157 0.000 2.283 427 E HA 0.119 4.470 4.350 0.001 0.000 0.271 427 E C 0.311 177.016 176.600 0.175 0.000 1.031 427 E CA -0.344 56.141 56.400 0.142 0.000 0.868 427 E CB 1.043 30.795 29.700 0.087 0.000 1.094 427 E HN 0.185 nan 8.360 nan 0.000 0.401 428 E N 1.596 121.875 120.200 0.132 0.000 2.204 428 E HA -0.255 4.096 4.350 0.001 0.000 0.195 428 E C 0.958 177.522 176.600 -0.061 0.000 0.990 428 E CA 1.320 57.737 56.400 0.029 0.000 0.821 428 E CB -0.152 29.645 29.700 0.161 0.000 0.750 428 E HN 0.553 nan 8.360 nan 0.000 0.477 429 E N 0.948 121.164 120.200 0.026 0.000 2.409 429 E HA -0.128 4.222 4.350 0.001 0.000 0.198 429 E C 1.579 178.219 176.600 0.067 0.000 1.024 429 E CA 0.896 57.322 56.400 0.043 0.000 0.861 429 E CB 0.018 29.765 29.700 0.078 0.000 0.788 429 E HN 0.455 nan 8.360 nan 0.000 0.521 430 E N -0.198 120.024 120.200 0.036 0.000 2.385 430 E HA -0.047 4.303 4.350 0.001 0.000 0.194 430 E C 1.515 178.069 176.600 -0.077 0.000 1.013 430 E CA 0.088 56.538 56.400 0.083 0.000 0.866 430 E CB 0.357 30.132 29.700 0.125 0.000 0.832 430 E HN 0.074 nan 8.360 nan 0.000 0.500 431 V N 1.764 121.449 119.914 -0.381 0.000 2.324 431 V HA -0.224 3.896 4.120 0.001 0.000 0.250 431 V C -0.815 175.074 176.094 -0.342 0.000 1.060 431 V CA 2.100 64.013 62.300 -0.646 0.000 1.042 431 V CB -1.366 29.885 31.823 -0.954 0.000 0.650 431 V HN 0.271 nan 8.190 nan 0.000 0.450 432 P HA -0.167 nan 4.420 nan 0.000 0.216 432 P C 1.278 178.353 177.300 -0.376 0.000 1.153 432 P CA 1.699 64.614 63.100 -0.308 0.000 0.858 432 P CB -0.124 31.392 31.700 -0.307 0.000 0.789 433 W N -0.326 120.860 121.300 -0.190 0.000 2.388 433 W HA -0.005 4.655 4.660 0.001 0.000 0.294 433 W C 2.628 179.071 176.519 -0.127 0.000 1.212 433 W CA 1.162 58.413 57.345 -0.157 0.000 1.271 433 W CB -1.134 28.273 29.460 -0.090 0.000 1.126 433 W HN -0.120 nan 8.180 nan 0.000 0.535 434 A N 0.023 122.886 122.820 0.071 0.000 1.902 434 A HA -0.160 4.161 4.320 0.001 0.000 0.217 434 A C 1.957 179.525 177.584 -0.026 0.000 1.181 434 A CA 1.396 53.463 52.037 0.050 0.000 0.623 434 A CB -0.954 18.017 19.000 -0.049 0.000 0.818 434 A HN 0.284 nan 8.150 nan 0.000 0.443 435 L N -1.255 119.876 121.223 -0.153 0.000 2.109 435 L HA -0.140 4.201 4.340 0.001 0.000 0.207 435 L C 2.817 179.545 176.870 -0.237 0.000 1.086 435 L CA 1.115 55.849 54.840 -0.177 0.000 0.760 435 L CB -0.420 41.499 42.059 -0.233 0.000 0.910 435 L HN 0.435 nan 8.230 nan 0.000 0.437 436 M N -1.406 117.947 119.600 -0.412 0.000 2.175 436 M HA -0.245 4.236 4.480 0.001 0.000 0.264 436 M C 2.227 178.441 176.300 -0.143 0.000 1.063 436 M CA 1.617 56.482 55.300 -0.725 0.000 1.119 436 M CB -0.602 31.373 32.600 -1.042 0.000 1.377 436 M HN 0.327 nan 8.290 nan 0.000 0.415 437 H N -0.005 119.002 119.070 -0.106 0.000 2.353 437 H HA -0.183 4.374 4.556 0.001 0.000 0.300 437 H C 2.082 177.423 175.328 0.021 0.000 1.090 437 H CA 1.150 57.207 56.048 0.015 0.000 1.327 437 H CB 0.269 30.068 29.762 0.062 0.000 1.383 437 H HN 0.201 nan 8.280 nan 0.000 0.508 438 L N 0.533 121.784 121.223 0.047 0.000 2.012 438 L HA -0.070 4.270 4.340 0.001 0.000 0.210 438 L C 2.558 179.372 176.870 -0.093 0.000 1.073 438 L CA 2.085 56.862 54.840 -0.104 0.000 0.748 438 L CB -1.004 40.976 42.059 -0.132 0.000 0.891 438 L HN 0.349 nan 8.230 nan 0.000 0.431 439 G N -0.825 107.992 108.800 0.028 0.000 2.418 439 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 439 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 439 G C 1.537 176.536 174.900 0.166 0.000 1.158 439 G CA 1.026 46.205 45.100 0.133 0.000 0.771 439 G HN 0.414 nan 8.290 nan 0.000 0.545 440 M N -0.087 119.646 119.600 0.221 0.000 2.296 440 M HA 0.033 4.513 4.480 0.001 0.000 0.265 440 M C 2.400 178.818 176.300 0.196 0.000 1.064 440 M CA 0.987 56.410 55.300 0.204 0.000 1.109 440 M CB -0.158 32.567 32.600 0.208 0.000 1.396 440 M HN 0.160 nan 8.290 nan 0.000 0.430 441 K N 0.307 120.827 120.400 0.201 0.000 2.296 441 K HA -0.013 4.307 4.320 0.001 0.000 0.200 441 K C 1.123 177.903 176.600 0.300 0.000 1.048 441 K CA 0.439 56.882 56.287 0.259 0.000 0.966 441 K CB -0.005 32.690 32.500 0.325 0.000 0.754 441 K HN 0.342 nan 8.250 nan 0.000 0.466 442 S N -0.091 115.690 115.700 0.135 0.000 2.596 442 S HA -0.015 4.455 4.470 0.001 0.000 0.260 442 S C 1.168 175.892 174.600 0.208 0.000 1.336 442 S CA -0.627 57.651 58.200 0.129 0.000 0.993 442 S CB 1.483 64.704 63.200 0.035 0.000 0.923 442 S HN -0.029 nan 8.310 nan 0.000 0.567 443 V N 0.916 120.968 119.914 0.229 0.000 3.380 443 V HA 0.266 4.386 4.120 0.001 0.000 0.268 443 V C 1.323 177.513 176.094 0.159 0.000 1.168 443 V CA 0.817 63.229 62.300 0.187 0.000 1.156 443 V CB -1.334 30.589 31.823 0.166 0.000 0.785 443 V HN 1.032 nan 8.190 nan 0.000 0.487 444 A N 0.709 123.647 122.820 0.196 0.000 2.548 444 A HA 0.170 4.491 4.320 0.001 0.000 0.247 444 A C 1.445 179.046 177.584 0.028 0.000 1.067 444 A CA -0.076 52.004 52.037 0.073 0.000 0.757 444 A CB 0.092 19.101 19.000 0.014 0.000 0.996 444 A HN 0.432 nan 8.150 nan 0.000 0.504 445 R N 1.349 121.850 120.500 0.001 0.000 2.091 445 R HA -0.050 4.290 4.340 0.001 0.000 0.238 445 R C 0.203 176.469 176.300 -0.058 0.000 1.136 445 R CA 1.211 57.306 56.100 -0.007 0.000 0.959 445 R CB -0.643 29.651 30.300 -0.010 0.000 0.856 445 R HN 0.725 nan 8.270 nan 0.000 0.437 446 L N 0.239 121.377 121.223 -0.142 0.000 2.341 446 L HA 0.531 4.871 4.340 0.001 0.000 0.278 446 L C -0.589 176.110 176.870 -0.284 0.000 1.005 446 L CA -0.885 53.813 54.840 -0.236 0.000 0.818 446 L CB 2.071 43.889 42.059 -0.403 0.000 1.259 446 L HN -0.084 nan 8.230 nan 0.000 0.418 447 A N 3.782 126.433 122.820 -0.282 0.000 2.311 447 A HA 0.744 5.065 4.320 0.001 0.000 0.306 447 A C -0.856 176.312 177.584 -0.694 0.000 1.189 447 A CA -0.444 51.300 52.037 -0.488 0.000 0.791 447 A CB 1.339 20.158 19.000 -0.302 0.000 1.172 447 A HN 0.393 nan 8.150 nan 0.000 0.481 448 V N 3.447 122.796 119.914 -0.942 0.000 2.487 448 V HA 0.471 4.591 4.120 0.001 0.000 0.298 448 V C -1.101 174.648 176.094 -0.575 0.000 1.028 448 V CA -0.365 61.545 62.300 -0.650 0.000 0.860 448 V CB 1.038 32.563 31.823 -0.497 0.000 0.991 448 V HN 0.817 nan 8.190 nan 0.000 0.427 449 Y N 5.279 125.634 120.300 0.092 0.000 2.446 449 Y HA 0.529 5.080 4.550 0.001 0.000 0.345 449 Y C -2.243 173.731 175.900 0.123 0.000 0.984 449 Y CA -2.952 55.190 58.100 0.070 0.000 1.058 449 Y CB 2.675 41.115 38.460 -0.034 0.000 1.220 449 Y HN 0.415 nan 8.280 nan 0.000 0.455 450 P HA -0.002 nan 4.420 nan 0.000 0.271 450 P C 0.652 178.006 177.300 0.090 0.000 1.216 450 P CA 0.003 63.191 63.100 0.147 0.000 0.776 450 P CB 1.913 33.631 31.700 0.030 0.000 0.881 451 V N 3.038 123.033 119.914 0.135 0.000 2.469 451 V HA -0.267 3.853 4.120 0.001 0.000 0.251 451 V C 2.514 178.566 176.094 -0.069 0.000 1.064 451 V CA 2.028 64.401 62.300 0.122 0.000 1.066 451 V CB -1.215 30.756 31.823 0.247 0.000 0.667 451 V HN 0.540 nan 8.190 nan 0.000 0.461 452 Q N -0.437 119.194 119.800 -0.283 0.000 2.234 452 Q HA -0.202 4.138 4.340 0.001 0.000 0.206 452 Q C 1.902 177.731 176.000 -0.285 0.000 0.980 452 Q CA 1.743 57.272 55.803 -0.457 0.000 0.869 452 Q CB -0.272 28.049 28.738 -0.695 0.000 0.912 452 Q HN 0.588 nan 8.270 nan 0.000 0.436 453 D N -0.911 119.337 120.400 -0.253 0.000 2.194 453 D HA -0.055 4.585 4.640 0.001 0.000 0.204 453 D C 1.707 177.743 176.300 -0.440 0.000 0.964 453 D CA 0.536 54.345 54.000 -0.318 0.000 0.846 453 D CB 0.091 40.688 40.800 -0.338 0.000 0.962 453 D HN 0.054 nan 8.370 nan 0.000 0.490 454 V N 0.863 120.566 119.914 -0.352 0.000 2.490 454 V HA -0.163 3.957 4.120 0.001 0.000 0.250 454 V C 2.243 178.276 176.094 -0.102 0.000 1.061 454 V CA 1.111 63.188 62.300 -0.372 0.000 1.064 454 V CB -0.265 31.521 31.823 -0.061 0.000 0.670 454 V HN 0.224 nan 8.190 nan 0.000 0.461 455 L N -0.033 121.118 121.223 -0.120 0.000 2.591 455 L HA 0.359 4.700 4.340 0.001 0.000 0.228 455 L C 1.390 178.296 176.870 0.060 0.000 1.133 455 L CA 0.521 55.334 54.840 -0.045 0.000 0.880 455 L CB -0.436 41.589 42.059 -0.056 0.000 1.033 455 L HN 0.351 nan 8.230 nan 0.000 0.450 456 A N 0.739 123.553 122.820 -0.010 0.000 2.745 456 A HA -0.204 4.116 4.320 0.001 0.000 0.296 456 A C 0.257 177.839 177.584 -0.002 0.000 1.500 456 A CA 0.547 52.590 52.037 0.009 0.000 0.766 456 A CB -2.378 16.718 19.000 0.160 0.000 1.030 456 A HN 0.342 nan 8.150 nan 0.000 0.489 457 L N -0.630 120.553 121.223 -0.067 0.000 2.399 457 L HA 0.596 4.936 4.340 0.001 0.000 0.266 457 L C 1.501 178.324 176.870 -0.078 0.000 1.114 457 L CA -0.107 54.694 54.840 -0.065 0.000 0.804 457 L CB 0.895 42.875 42.059 -0.131 0.000 1.146 457 L HN 0.545 nan 8.230 nan 0.000 0.451 458 G N 0.012 108.788 108.800 -0.039 0.000 2.508 458 G HA2 0.142 4.102 3.960 0.001 0.000 0.278 458 G HA3 0.142 4.102 3.960 0.001 0.000 0.278 458 G C 0.792 175.659 174.900 -0.055 0.000 1.389 458 G CA -0.326 44.757 45.100 -0.028 0.000 1.050 458 G HN 0.639 nan 8.290 nan 0.000 0.522 459 S N 0.429 116.111 115.700 -0.030 0.000 2.440 459 S HA -0.135 4.336 4.470 0.001 0.000 0.240 459 S C 2.185 176.771 174.600 -0.023 0.000 1.014 459 S CA 1.550 59.730 58.200 -0.034 0.000 0.980 459 S CB -0.196 63.002 63.200 -0.005 0.000 0.775 459 S HN 0.768 nan 8.310 nan 0.000 0.499 460 E N 1.625 121.825 120.200 -0.001 0.000 2.333 460 E HA -0.050 4.300 4.350 0.001 0.000 0.198 460 E C 1.305 177.927 176.600 0.036 0.000 1.007 460 E CA 1.078 57.501 56.400 0.038 0.000 0.845 460 E CB -0.265 29.474 29.700 0.064 0.000 0.766 460 E HN 0.521 nan 8.360 nan 0.000 0.507 461 A N 1.332 124.093 122.820 -0.099 0.000 2.387 461 A HA 0.133 4.454 4.320 0.001 0.000 0.234 461 A C 1.147 178.507 177.584 -0.373 0.000 1.253 461 A CA -0.403 51.418 52.037 -0.360 0.000 0.894 461 A CB -0.347 18.209 19.000 -0.740 0.000 0.963 461 A HN 0.121 nan 8.150 nan 0.000 0.508 462 R N -0.084 120.305 120.500 -0.184 0.000 2.538 462 R HA 0.132 4.473 4.340 0.001 0.000 0.282 462 R C 1.092 177.326 176.300 -0.110 0.000 1.009 462 R CA -0.022 55.976 56.100 -0.169 0.000 1.063 462 R CB 0.255 30.475 30.300 -0.134 0.000 0.945 462 R HN 0.303 nan 8.270 nan 0.000 0.414 463 M N 3.218 122.749 119.600 -0.115 0.000 2.062 463 M HA -0.035 4.446 4.480 0.001 0.000 0.259 463 M C -0.013 176.112 176.300 -0.293 0.000 1.076 463 M CA 1.890 57.160 55.300 -0.050 0.000 1.122 463 M CB -0.317 32.322 32.600 0.065 0.000 1.312 463 M HN 0.676 nan 8.290 nan 0.000 0.412 464 N N -1.224 117.230 118.700 -0.410 0.000 2.229 464 N HA 0.232 4.972 4.740 0.001 0.000 0.298 464 N C -2.116 173.230 175.510 -0.273 0.000 1.114 464 N CA -0.536 52.140 53.050 -0.623 0.000 0.776 464 N CB 1.114 38.902 38.487 -1.166 0.000 1.501 464 N HN 0.306 nan 8.380 nan 0.000 0.474 465 Y N 2.835 122.954 120.300 -0.303 0.000 2.646 465 Y HA 0.440 4.991 4.550 0.001 0.000 0.334 465 Y C -2.314 173.519 175.900 -0.111 0.000 1.004 465 Y CA -2.638 55.366 58.100 -0.159 0.000 1.301 465 Y CB 1.450 39.846 38.460 -0.106 0.000 1.093 465 Y HN 0.480 nan 8.280 nan 0.000 0.530 466 P HA 0.039 nan 4.420 nan 0.000 0.258 466 P C 0.602 178.008 177.300 0.176 0.000 1.172 466 P CA 2.170 65.362 63.100 0.153 0.000 0.762 466 P CB 0.597 32.369 31.700 0.121 0.000 0.764 467 G N 2.662 111.512 108.800 0.084 0.000 2.259 467 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 467 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 467 G C 0.373 175.231 174.900 -0.069 0.000 1.001 467 G CA -0.410 44.710 45.100 0.034 0.000 0.627 467 G HN 0.665 nan 8.290 nan 0.000 0.501 468 R N 2.006 122.414 120.500 -0.153 0.000 2.340 468 R HA 0.438 4.779 4.340 0.001 0.000 0.300 468 R C -0.611 175.640 176.300 -0.082 0.000 1.069 468 R CA -0.937 55.041 56.100 -0.203 0.000 0.984 468 R CB 0.904 31.012 30.300 -0.321 0.000 1.003 468 R HN 0.139 nan 8.270 nan 0.000 0.459 469 P HA -0.027 nan 4.420 nan 0.000 0.229 469 P C -0.501 176.784 177.300 -0.025 0.000 1.160 469 P CA 0.609 63.699 63.100 -0.017 0.000 0.777 469 P CB 0.439 32.144 31.700 0.008 0.000 0.814 470 S N -3.227 112.457 115.700 -0.027 0.000 2.705 470 S HA 0.576 5.047 4.470 0.001 0.000 0.280 470 S C 0.654 175.256 174.600 0.002 0.000 1.174 470 S CA -0.032 58.165 58.200 -0.006 0.000 0.823 470 S CB 1.029 64.241 63.200 0.019 0.000 1.162 470 S HN 0.169 nan 8.310 nan 0.000 0.487 471 G N 0.876 109.702 108.800 0.042 0.000 2.153 471 G HA2 -0.214 3.746 3.960 0.001 0.000 0.252 471 G HA3 -0.214 3.746 3.960 0.001 0.000 0.252 471 G C -0.258 174.658 174.900 0.027 0.000 0.994 471 G CA 0.205 45.342 45.100 0.062 0.000 0.698 471 G HN 0.801 nan 8.290 nan 0.000 0.521 472 N N -0.471 118.206 118.700 -0.037 0.000 2.495 472 N HA 0.405 5.145 4.740 0.001 0.000 0.280 472 N C 0.847 176.305 175.510 -0.087 0.000 1.168 472 N CA 0.078 52.950 53.050 -0.296 0.000 0.978 472 N CB 0.290 38.394 38.487 -0.639 0.000 1.191 472 N HN 0.450 nan 8.380 nan 0.000 0.497 473 W N -1.150 120.254 121.300 0.173 0.000 3.904 473 W HA -0.278 4.383 4.660 0.001 0.000 0.312 473 W C 0.884 177.635 176.519 0.387 0.000 1.159 473 W CA 0.407 57.890 57.345 0.231 0.000 0.704 473 W CB -2.046 27.488 29.460 0.124 0.000 2.209 473 W HN 0.650 nan 8.180 nan 0.000 1.468 474 A N -1.536 121.551 122.820 0.446 0.000 2.169 474 A HA 0.200 4.520 4.320 0.001 0.000 0.210 474 A C 0.586 178.318 177.584 0.247 0.000 1.168 474 A CA 0.099 52.358 52.037 0.370 0.000 0.813 474 A CB -0.224 18.957 19.000 0.302 0.000 0.861 474 A HN 0.332 nan 8.150 nan 0.000 0.481 475 W N 2.049 123.420 121.300 0.118 0.000 2.223 475 W HA 0.379 5.039 4.660 0.001 0.000 0.334 475 W C 0.198 176.751 176.519 0.056 0.000 1.334 475 W CA 0.535 57.921 57.345 0.068 0.000 1.246 475 W CB 0.297 29.788 29.460 0.051 0.000 1.184 475 W HN 0.126 nan 8.180 nan 0.000 0.563 476 R N 5.720 125.537 120.500 -1.139 0.000 2.744 476 R HA 0.469 4.810 4.340 0.001 0.000 0.279 476 R C -0.833 174.587 176.300 -1.467 0.000 0.977 476 R CA -1.330 54.096 56.100 -1.123 0.000 0.906 476 R CB 1.673 31.654 30.300 -0.532 0.000 1.197 476 R HN 0.452 nan 8.270 nan 0.000 0.463 477 L N 2.527 123.081 121.223 -1.114 0.000 2.453 477 L HA 0.340 4.680 4.340 0.001 0.000 0.261 477 L C -0.055 176.606 176.870 -0.349 0.000 1.179 477 L CA -0.307 54.161 54.840 -0.621 0.000 0.813 477 L CB 0.498 42.331 42.059 -0.378 0.000 1.110 477 L HN 0.316 nan 8.230 nan 0.000 0.466 478 L N 2.346 123.459 121.223 -0.183 0.000 2.360 478 L HA 0.421 4.762 4.340 0.001 0.000 0.271 478 L C -2.164 174.647 176.870 -0.099 0.000 1.057 478 L CA -2.019 52.747 54.840 -0.123 0.000 0.803 478 L CB 1.085 43.111 42.059 -0.055 0.000 1.207 478 L HN 0.319 nan 8.230 nan 0.000 0.445 479 P HA 0.047 nan 4.420 nan 0.000 0.263 479 P C 0.637 177.915 177.300 -0.037 0.000 1.195 479 P CA 0.642 63.701 63.100 -0.068 0.000 0.762 479 P CB 0.631 32.292 31.700 -0.065 0.000 0.799 480 G N 2.792 111.575 108.800 -0.029 0.000 2.189 480 G HA2 -0.367 3.593 3.960 0.001 0.000 0.267 480 G HA3 -0.367 3.593 3.960 0.001 0.000 0.267 480 G C 1.123 176.036 174.900 0.023 0.000 0.975 480 G CA 0.585 45.687 45.100 0.002 0.000 0.644 480 G HN 0.564 nan 8.290 nan 0.000 0.537 481 E N -0.549 119.652 120.200 0.002 0.000 2.118 481 E HA 0.004 4.354 4.350 0.001 0.000 0.195 481 E C 1.242 177.871 176.600 0.049 0.000 0.992 481 E CA 0.433 56.855 56.400 0.037 0.000 0.804 481 E CB -0.101 29.611 29.700 0.019 0.000 0.741 481 E HN 0.578 nan 8.360 nan 0.000 0.458 482 L N 2.341 123.525 121.223 -0.066 0.000 2.342 482 L HA 0.112 4.452 4.340 0.001 0.000 0.285 482 L C 0.185 177.114 176.870 0.098 0.000 1.095 482 L CA -0.654 54.084 54.840 -0.171 0.000 0.843 482 L CB 0.927 42.548 42.059 -0.729 0.000 1.201 482 L HN 0.122 nan 8.230 nan 0.000 0.445 483 S N 2.976 118.974 115.700 0.496 0.000 2.693 483 S HA 0.468 4.939 4.470 0.001 0.000 0.276 483 S C -1.951 172.891 174.600 0.404 0.000 1.192 483 S CA -1.379 57.021 58.200 0.334 0.000 0.994 483 S CB 1.497 64.801 63.200 0.174 0.000 1.012 483 S HN 0.294 nan 8.310 nan 0.000 0.550 484 P HA -0.025 nan 4.420 nan 0.000 0.219 484 P C 0.800 178.179 177.300 0.131 0.000 1.146 484 P CA 1.041 64.255 63.100 0.190 0.000 0.808 484 P CB 0.024 31.781 31.700 0.095 0.000 0.779 485 E N -1.770 118.468 120.200 0.062 0.000 2.106 485 E HA -0.167 4.183 4.350 0.001 0.000 0.192 485 E C 1.831 178.434 176.600 0.005 0.000 0.984 485 E CA 1.186 57.562 56.400 -0.040 0.000 0.806 485 E CB -0.939 28.671 29.700 -0.151 0.000 0.750 485 E HN 0.488 nan 8.360 nan 0.000 0.458 486 H N -0.840 118.371 119.070 0.234 0.000 2.353 486 H HA -0.008 4.549 4.556 0.001 0.000 0.300 486 H C 2.137 177.702 175.328 0.394 0.000 1.090 486 H CA 1.254 57.530 56.048 0.380 0.000 1.327 486 H CB -0.249 29.812 29.762 0.499 0.000 1.383 486 H HN 0.280 nan 8.280 nan 0.000 0.508 487 G N 0.225 109.292 108.800 0.446 0.000 2.418 487 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 487 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 487 G C 1.890 176.793 174.900 0.005 0.000 1.158 487 G CA 0.768 45.851 45.100 -0.028 0.000 0.771 487 G HN 0.501 nan 8.290 nan 0.000 0.545 488 A N 0.429 123.264 122.820 0.025 0.000 1.930 488 A HA 0.031 4.351 4.320 0.001 0.000 0.217 488 A C 2.312 179.885 177.584 -0.017 0.000 1.175 488 A CA 1.756 53.786 52.037 -0.011 0.000 0.627 488 A CB -0.399 18.585 19.000 -0.027 0.000 0.815 488 A HN 0.360 nan 8.150 nan 0.000 0.443 489 R N -0.494 119.997 120.500 -0.015 0.000 2.075 489 R HA 0.000 4.341 4.340 0.001 0.000 0.232 489 R C 1.938 178.266 176.300 0.045 0.000 1.126 489 R CA 1.235 57.278 56.100 -0.095 0.000 0.963 489 R CB -0.329 29.748 30.300 -0.371 0.000 0.858 489 R HN 0.526 nan 8.270 nan 0.000 0.435 490 L N -0.005 121.331 121.223 0.188 0.000 2.056 490 L HA -0.145 4.196 4.340 0.001 0.000 0.207 490 L C 2.843 179.658 176.870 -0.092 0.000 1.078 490 L CA 1.358 56.242 54.840 0.072 0.000 0.749 490 L CB -0.410 41.710 42.059 0.102 0.000 0.901 490 L HN 0.233 nan 8.230 nan 0.000 0.433 491 R N 0.099 120.604 120.500 0.008 0.000 2.081 491 R HA -0.175 4.166 4.340 0.001 0.000 0.235 491 R C 2.321 178.620 176.300 -0.002 0.000 1.131 491 R CA 1.433 57.555 56.100 0.036 0.000 0.960 491 R CB -0.226 30.092 30.300 0.030 0.000 0.856 491 R HN 0.349 nan 8.270 nan 0.000 0.436 492 A N 0.863 123.666 122.820 -0.029 0.000 1.933 492 A HA -0.210 4.111 4.320 0.001 0.000 0.218 492 A C 2.163 179.711 177.584 -0.060 0.000 1.175 492 A CA 1.557 53.570 52.037 -0.041 0.000 0.628 492 A CB -0.499 18.464 19.000 -0.062 0.000 0.814 492 A HN 0.483 nan 8.150 nan 0.000 0.444 493 M N -0.522 119.017 119.600 -0.102 0.000 2.132 493 M HA -0.092 4.388 4.480 0.001 0.000 0.263 493 M C 2.270 178.523 176.300 -0.079 0.000 1.065 493 M CA 1.581 56.787 55.300 -0.157 0.000 1.122 493 M CB -0.217 32.266 32.600 -0.194 0.000 1.365 493 M HN 0.421 nan 8.290 nan 0.000 0.411 494 A N -0.033 122.732 122.820 -0.091 0.000 1.933 494 A HA -0.232 4.089 4.320 0.001 0.000 0.218 494 A C 1.909 179.536 177.584 0.072 0.000 1.175 494 A CA 2.004 54.047 52.037 0.010 0.000 0.628 494 A CB -0.847 18.228 19.000 0.125 0.000 0.814 494 A HN 0.716 nan 8.150 nan 0.000 0.444 495 E N -0.059 120.170 120.200 0.050 0.000 2.051 495 E HA -0.104 4.246 4.350 0.001 0.000 0.192 495 E C 2.067 178.699 176.600 0.053 0.000 0.991 495 E CA 1.082 57.513 56.400 0.052 0.000 0.799 495 E CB -0.280 29.440 29.700 0.032 0.000 0.748 495 E HN 0.511 nan 8.360 nan 0.000 0.449 496 A N 0.295 123.144 122.820 0.047 0.000 1.969 496 A HA -0.125 4.196 4.320 0.001 0.000 0.218 496 A C 2.228 179.874 177.584 0.103 0.000 1.169 496 A CA 1.846 53.925 52.037 0.071 0.000 0.635 496 A CB -0.658 18.389 19.000 0.077 0.000 0.810 496 A HN 0.453 nan 8.150 nan 0.000 0.445 497 T N -2.808 111.814 114.554 0.114 0.000 3.186 497 T HA 0.320 4.670 4.350 0.001 0.000 0.257 497 T C 0.016 174.785 174.700 0.116 0.000 1.029 497 T CA 0.383 62.566 62.100 0.137 0.000 0.916 497 T CB -0.503 68.469 68.868 0.172 0.000 1.041 497 T HN 0.561 nan 8.240 nan 0.000 0.562 498 E N 0.831 121.089 120.200 0.097 0.000 2.252 498 E HA -0.208 4.143 4.350 0.001 0.000 0.218 498 E C 0.404 177.066 176.600 0.104 0.000 1.253 498 E CA 0.118 56.572 56.400 0.089 0.000 0.705 498 E CB -1.054 28.692 29.700 0.077 0.000 1.172 498 E HN 0.610 nan 8.360 nan 0.000 0.369 499 R N -0.125 120.453 120.500 0.130 0.000 2.543 499 R HA 0.289 4.629 4.340 0.001 0.000 0.323 499 R C 0.638 177.048 176.300 0.183 0.000 1.002 499 R CA -0.217 55.984 56.100 0.168 0.000 1.106 499 R CB 0.635 31.073 30.300 0.229 0.000 1.280 499 R HN 0.117 nan 8.270 nan 0.000 0.549 500 L N 0.000 121.304 121.223 0.135 0.000 2.949 500 L HA 0.000 4.341 4.340 0.001 0.000 0.249 500 L CA 0.000 54.904 54.840 0.107 0.000 0.813 500 L CB 0.000 42.111 42.059 0.087 0.000 0.961 500 L HN 0.000 nan 8.230 nan 0.000 0.502