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 3llp_1_B DATA FIRST_RESID 8 DATA SEQUENCE EAVQIQFGLI NCGNKYLTAE AFGFKVNASA SSLKKKQIWT LEQPPDXXGS DATA SEQUENCE AAVCLRSHLG RYLAADKDGN VTCEREVPGP DCRFLIVAHD DGRWSLQSEA DATA SEQUENCE HRRYFGGTED RLSCFAQTVS PAEKWSVHIA MHPQVNIYSV TRKRYAHLSA DATA SEQUENCE XXADEIAVDR DVPWGVDSLI TLAFQDQRYS VQTADHRFLR HDGRLVARPE DATA SEQUENCE PATGYTLEFR SGKVAFRDCE GRYLAPSGPS GTLKAGKATK VGKDELFALE DATA SEQUENCE QSCAQVVLQA ANERNVSTRQ GMDLSANQDE ETDQETFQLE IDXXXXKCAF DATA SEQUENCE RTHTGKYWTL TATGGVQSTA SSKNASCYFD IEWRDRRITL RASNGKFVTS DATA SEQUENCE KKNGQLAASV ETAGDSELFL MKLINRPIIV FRGEHGFIGC RKVTGTLDAN DATA SEQUENCE RSSYDVFQLE FNDGAYNIKD STGKYWTVGS DSAVTSSGDT PVDFFFEFCD DATA SEQUENCE YNKVAIKVGG RYLKGDHAGV LKASAETVDP ASLWEY 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.625 176.600 0.041 0.000 1.382 8 E CA 0.000 56.417 56.400 0.028 0.000 0.976 8 E CB 0.000 29.712 29.700 0.019 0.000 0.812 9 A N 0.944 123.789 122.820 0.042 0.000 2.448 9 A HA 0.448 4.767 4.320 -0.001 0.000 0.239 9 A C 0.293 177.913 177.584 0.059 0.000 1.080 9 A CA -0.137 51.934 52.037 0.056 0.000 0.779 9 A CB 0.756 19.785 19.000 0.049 0.000 1.026 9 A HN 0.319 nan 8.150 nan 0.000 0.499 10 V N 2.229 122.189 119.914 0.077 0.000 2.357 10 V HA 0.227 4.347 4.120 -0.001 0.000 0.284 10 V C 0.326 176.457 176.094 0.063 0.000 1.018 10 V CA -0.366 61.980 62.300 0.077 0.000 0.841 10 V CB 1.137 33.025 31.823 0.109 0.000 0.991 10 V HN 0.987 nan 8.190 nan 0.000 0.437 11 Q N 4.989 124.815 119.800 0.044 0.000 2.262 11 Q HA 0.175 4.514 4.340 -0.001 0.000 0.272 11 Q C -0.467 175.544 176.000 0.018 0.000 1.076 11 Q CA -0.290 55.525 55.803 0.021 0.000 0.905 11 Q CB 0.506 29.250 28.738 0.010 0.000 1.182 11 Q HN 0.566 nan 8.270 nan 0.000 0.390 12 I N 4.686 125.240 120.570 -0.027 0.000 2.452 12 I HA 0.111 4.281 4.170 -0.001 0.000 0.287 12 I C 0.188 176.289 176.117 -0.026 0.000 1.079 12 I CA 0.481 61.750 61.300 -0.052 0.000 1.387 12 I CB 0.578 38.389 38.000 -0.315 0.000 1.404 12 I HN 0.765 nan 8.210 nan 0.000 0.522 13 Q N 6.465 126.302 119.800 0.061 0.000 2.397 13 Q HA 0.756 5.096 4.340 -0.001 0.000 0.275 13 Q C -1.305 174.818 176.000 0.204 0.000 1.090 13 Q CA -0.675 55.119 55.803 -0.016 0.000 0.809 13 Q CB 3.304 32.044 28.738 0.003 0.000 1.362 13 Q HN 0.535 nan 8.270 nan 0.000 0.431 14 F N -2.317 117.761 119.950 0.213 0.000 2.770 14 F HA 0.740 5.267 4.527 -0.001 0.000 0.313 14 F C -0.604 175.394 175.800 0.330 0.000 1.154 14 F CA -1.147 57.012 58.000 0.266 0.000 0.923 14 F CB 0.532 39.686 39.000 0.255 0.000 1.301 14 F HN 0.516 nan 8.300 nan 0.000 0.449 15 G N 1.042 110.241 108.800 0.665 0.000 2.462 15 G HA2 0.671 4.630 3.960 -0.001 0.000 0.319 15 G HA3 0.671 4.630 3.960 -0.001 0.000 0.319 15 G C -1.809 173.538 174.900 0.745 0.000 1.171 15 G CA -1.051 44.482 45.100 0.721 0.000 0.920 15 G HN 0.808 nan 8.290 nan 0.000 0.499 16 L N 0.761 122.374 121.223 0.649 0.000 2.381 16 L HA 0.466 4.806 4.340 -0.001 0.000 0.274 16 L C -0.728 176.411 176.870 0.447 0.000 0.988 16 L CA -0.650 54.437 54.840 0.411 0.000 0.824 16 L CB 2.124 44.295 42.059 0.186 0.000 1.263 16 L HN 0.339 nan 8.230 nan 0.000 0.410 17 I N 3.892 124.621 120.570 0.265 0.000 2.354 17 I HA 0.277 4.446 4.170 -0.001 0.000 0.292 17 I C 0.168 176.314 176.117 0.049 0.000 0.989 17 I CA -0.565 60.730 61.300 -0.008 0.000 1.188 17 I CB 1.460 39.285 38.000 -0.292 0.000 1.342 17 I HN 0.628 nan 8.210 nan 0.000 0.457 18 N N 5.423 124.020 118.700 -0.172 0.000 2.431 18 N HA 0.061 4.800 4.740 -0.001 0.000 0.289 18 N C 1.211 176.448 175.510 -0.454 0.000 1.277 18 N CA -0.480 52.153 53.050 -0.696 0.000 0.972 18 N CB 0.379 38.297 38.487 -0.948 0.000 1.143 18 N HN 0.810 nan 8.380 nan 0.000 0.578 19 C N -3.092 115.904 119.300 -0.506 0.000 2.432 19 C HA 0.265 4.725 4.460 -0.001 0.000 0.282 19 C C 2.094 176.949 174.990 -0.225 0.000 1.388 19 C CA 0.337 59.162 59.018 -0.321 0.000 1.777 19 C CB -1.696 25.862 27.740 -0.303 0.000 1.882 19 C HN 0.750 nan 8.230 nan 0.000 0.520 20 G N -0.006 108.664 108.800 -0.216 0.000 3.088 20 G HA2 0.074 4.033 3.960 -0.001 0.000 0.212 20 G HA3 0.074 4.033 3.960 -0.001 0.000 0.212 20 G C 0.649 175.478 174.900 -0.119 0.000 1.173 20 G CA 0.318 45.334 45.100 -0.140 0.000 0.779 20 G HN 0.842 nan 8.290 nan 0.000 0.540 21 N N -1.155 117.454 118.700 -0.153 0.000 2.747 21 N HA -0.156 4.584 4.740 -0.001 0.000 0.249 21 N C -0.377 175.052 175.510 -0.135 0.000 1.107 21 N CA 0.622 53.583 53.050 -0.149 0.000 0.707 21 N CB -0.503 37.919 38.487 -0.108 0.000 1.054 21 N HN 0.397 nan 8.380 nan 0.000 0.555 22 K N 0.222 120.555 120.400 -0.113 0.000 2.328 22 K HA 0.365 4.685 4.320 -0.001 0.000 0.246 22 K C -1.047 175.569 176.600 0.027 0.000 0.955 22 K CA -0.562 55.721 56.287 -0.006 0.000 0.817 22 K CB 1.065 33.600 32.500 0.058 0.000 1.208 22 K HN 0.032 nan 8.250 nan 0.000 0.432 23 Y N 1.253 121.670 120.300 0.195 0.000 2.304 23 Y HA 0.161 4.710 4.550 -0.001 0.000 0.328 23 Y C 0.196 176.308 175.900 0.354 0.000 1.123 23 Y CA -0.638 57.632 58.100 0.283 0.000 1.218 23 Y CB 0.713 39.318 38.460 0.241 0.000 1.207 23 Y HN 0.373 nan 8.280 nan 0.000 0.495 24 L N 3.816 125.414 121.223 0.625 0.000 2.584 24 L HA 0.126 4.466 4.340 -0.001 0.000 0.272 24 L C -0.183 177.125 176.870 0.729 0.000 1.195 24 L CA 0.939 56.137 54.840 0.597 0.000 0.920 24 L CB -0.263 41.990 42.059 0.324 0.000 1.173 24 L HN 0.639 nan 8.230 nan 0.000 0.489 25 T N 4.998 119.909 114.554 0.595 0.000 2.861 25 T HA 0.733 5.083 4.350 -0.001 0.000 0.287 25 T C -0.564 174.418 174.700 0.471 0.000 1.003 25 T CA -0.246 62.123 62.100 0.449 0.000 0.977 25 T CB 1.561 70.605 68.868 0.293 0.000 0.996 25 T HN 0.808 nan 8.240 nan 0.000 0.448 26 A N 3.226 126.245 122.820 0.331 0.000 2.252 26 A HA 0.632 4.952 4.320 -0.001 0.000 0.309 26 A C 0.108 177.872 177.584 0.299 0.000 1.285 26 A CA -0.666 51.543 52.037 0.285 0.000 0.900 26 A CB 0.380 19.378 19.000 -0.003 0.000 1.157 26 A HN 0.682 nan 8.150 nan 0.000 0.536 27 E N 1.728 122.089 120.200 0.269 0.000 2.242 27 E HA 0.445 4.795 4.350 -0.001 0.000 0.275 27 E C 1.020 177.746 176.600 0.209 0.000 1.002 27 E CA 0.085 56.624 56.400 0.232 0.000 0.841 27 E CB 1.916 31.742 29.700 0.210 0.000 1.109 27 E HN 0.636 nan 8.360 nan 0.000 0.394 28 A N 3.616 126.539 122.820 0.171 0.000 1.855 28 A HA -0.114 4.205 4.320 -0.001 0.000 0.215 28 A C 0.863 178.383 177.584 -0.107 0.000 1.191 28 A CA 0.587 52.667 52.037 0.072 0.000 0.613 28 A CB -0.342 18.709 19.000 0.085 0.000 0.829 28 A HN 0.563 nan 8.150 nan 0.000 0.442 29 F N 1.286 121.166 119.950 -0.118 0.000 2.557 29 F HA 0.383 4.909 4.527 -0.000 0.000 0.384 29 F C 1.463 177.167 175.800 -0.160 0.000 1.057 29 F CA 0.707 58.614 58.000 -0.154 0.000 1.169 29 F CB -0.020 38.940 39.000 -0.067 0.000 1.070 29 F HN 0.499 nan 8.300 nan 0.000 0.554 30 G N 5.212 113.554 108.800 -0.762 0.000 2.175 30 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.265 30 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.265 30 G C 0.471 175.247 174.900 -0.206 0.000 0.979 30 G CA -0.039 44.762 45.100 -0.497 0.000 0.663 30 G HN 0.962 nan 8.290 nan 0.000 0.533 31 F N -0.832 119.103 119.950 -0.026 0.000 3.004 31 F HA -0.207 4.320 4.527 -0.000 0.000 0.264 31 F C 1.296 177.147 175.800 0.084 0.000 0.979 31 F CA 1.157 59.174 58.000 0.027 0.000 0.896 31 F CB -1.678 37.327 39.000 0.009 0.000 0.813 31 F HN 0.756 nan 8.300 nan 0.000 0.804 32 K N 0.971 121.505 120.400 0.223 0.000 2.258 32 K HA 0.579 4.899 4.320 -0.001 0.000 0.264 32 K C -0.064 176.704 176.600 0.281 0.000 1.007 32 K CA -0.092 56.332 56.287 0.228 0.000 0.941 32 K CB 1.657 34.278 32.500 0.201 0.000 0.966 32 K HN 0.185 nan 8.250 nan 0.000 0.480 33 V N 0.290 120.381 119.914 0.296 0.000 2.715 33 V HA 0.587 4.707 4.120 -0.001 0.000 0.310 33 V C -1.088 175.199 176.094 0.321 0.000 1.054 33 V CA -0.980 61.534 62.300 0.356 0.000 0.928 33 V CB 1.224 33.295 31.823 0.413 0.000 1.007 33 V HN 1.095 nan 8.190 nan 0.000 0.437 34 N N 1.738 120.637 118.700 0.333 0.000 2.647 34 N HA 0.804 5.544 4.740 -0.001 0.000 0.266 34 N C -0.886 174.815 175.510 0.318 0.000 1.373 34 N CA -0.322 52.895 53.050 0.279 0.000 0.807 34 N CB 2.061 40.677 38.487 0.215 0.000 1.513 34 N HN 1.127 nan 8.380 nan 0.000 0.505 35 A N -0.100 122.876 122.820 0.260 0.000 2.923 35 A HA 0.576 4.896 4.320 -0.001 0.000 0.343 35 A C -0.353 177.336 177.584 0.176 0.000 1.199 35 A CA -0.540 51.657 52.037 0.266 0.000 0.878 35 A CB -0.547 18.594 19.000 0.235 0.000 1.104 35 A HN 0.575 nan 8.150 nan 0.000 0.483 36 S N 0.014 115.827 115.700 0.190 0.000 2.666 36 S HA 0.383 4.852 4.470 -0.001 0.000 0.239 36 S C 0.833 175.520 174.600 0.145 0.000 1.031 36 S CA 0.477 58.760 58.200 0.138 0.000 1.015 36 S CB 0.617 63.889 63.200 0.120 0.000 0.981 36 S HN 0.935 nan 8.310 nan 0.000 0.547 37 A N 0.912 123.853 122.820 0.202 0.000 2.310 37 A HA 0.665 4.985 4.320 -0.001 0.000 0.299 37 A C 0.831 178.574 177.584 0.266 0.000 1.147 37 A CA -0.337 51.821 52.037 0.201 0.000 0.818 37 A CB 0.618 19.736 19.000 0.197 0.000 1.096 37 A HN 0.171 nan 8.150 nan 0.000 0.495 38 S N 0.098 115.918 115.700 0.200 0.000 2.524 38 S HA 0.125 4.595 4.470 -0.001 0.000 0.216 38 S C 0.773 175.553 174.600 0.300 0.000 0.987 38 S CA 0.655 58.989 58.200 0.223 0.000 0.909 38 S CB -0.183 63.088 63.200 0.119 0.000 0.781 38 S HN 1.061 nan 8.310 nan 0.000 0.521 39 S N 0.563 116.365 115.700 0.171 0.000 2.627 39 S HA 0.673 5.143 4.470 -0.001 0.000 0.283 39 S C -1.098 173.214 174.600 -0.479 0.000 1.127 39 S CA -0.927 57.254 58.200 -0.032 0.000 0.863 39 S CB 1.509 64.696 63.200 -0.021 0.000 1.121 39 S HN 0.066 nan 8.310 nan 0.000 0.479 40 L N 1.855 122.648 121.223 -0.717 0.000 2.302 40 L HA 0.574 4.914 4.340 -0.001 0.000 0.285 40 L C -0.318 176.348 176.870 -0.341 0.000 1.090 40 L CA 0.480 54.851 54.840 -0.782 0.000 0.866 40 L CB -0.890 40.672 42.059 -0.828 0.000 1.244 40 L HN 0.796 nan 8.230 nan 0.000 0.435 41 K N 2.652 122.898 120.400 -0.257 0.000 2.208 41 K HA 0.346 4.666 4.320 -0.001 0.000 0.240 41 K C 0.526 177.012 176.600 -0.191 0.000 1.088 41 K CA -0.863 55.320 56.287 -0.173 0.000 0.902 41 K CB 1.148 33.565 32.500 -0.139 0.000 1.355 41 K HN 0.302 nan 8.250 nan 0.000 0.526 42 K N 1.490 121.772 120.400 -0.195 0.000 2.074 42 K HA -0.188 4.131 4.320 -0.001 0.000 0.209 42 K C 1.223 177.568 176.600 -0.426 0.000 1.048 42 K CA 1.861 57.995 56.287 -0.254 0.000 0.926 42 K CB 0.024 32.381 32.500 -0.237 0.000 0.713 42 K HN 0.285 nan 8.250 nan 0.000 0.444 43 K N -0.116 119.985 120.400 -0.498 0.000 2.439 43 K HA -0.091 4.229 4.320 -0.001 0.000 0.197 43 K C 1.613 178.043 176.600 -0.282 0.000 1.041 43 K CA 0.851 56.751 56.287 -0.645 0.000 0.970 43 K CB 0.183 32.445 32.500 -0.397 0.000 0.773 43 K HN 0.181 nan 8.250 nan 0.000 0.479 44 Q N 0.085 119.773 119.800 -0.188 0.000 2.319 44 Q HA 0.152 4.492 4.340 -0.001 0.000 0.202 44 Q C -0.200 175.788 176.000 -0.019 0.000 0.896 44 Q CA 0.284 56.089 55.803 0.004 0.000 0.942 44 Q CB 0.649 29.376 28.738 -0.018 0.000 1.083 44 Q HN 0.097 nan 8.270 nan 0.000 0.510 45 I N 0.864 121.295 120.570 -0.231 0.000 2.325 45 I HA 0.169 4.339 4.170 -0.001 0.000 0.291 45 I C -0.568 175.293 176.117 -0.426 0.000 1.019 45 I CA -0.427 60.762 61.300 -0.184 0.000 1.302 45 I CB 0.000 37.907 38.000 -0.156 0.000 1.401 45 I HN 0.153 nan 8.210 nan 0.000 0.485 46 W N 4.847 126.011 121.300 -0.226 0.000 2.627 46 W HA 0.463 5.122 4.660 -0.001 0.000 0.339 46 W C 0.097 176.276 176.519 -0.566 0.000 1.058 46 W CA -0.444 56.675 57.345 -0.378 0.000 1.223 46 W CB 1.589 30.780 29.460 -0.448 0.000 1.389 46 W HN 0.277 nan 8.180 nan 0.000 0.541 47 T N 3.641 118.087 114.554 -0.181 0.000 2.807 47 T HA 0.440 4.790 4.350 -0.001 0.000 0.279 47 T C -1.043 173.583 174.700 -0.124 0.000 0.993 47 T CA -0.618 61.366 62.100 -0.194 0.000 0.970 47 T CB 1.047 69.838 68.868 -0.127 0.000 0.950 47 T HN 0.092 nan 8.240 nan 0.000 0.441 48 L N 3.430 124.584 121.223 -0.115 0.000 2.326 48 L HA 0.498 4.838 4.340 -0.001 0.000 0.278 48 L C 0.070 176.964 176.870 0.040 0.000 1.092 48 L CA 0.257 55.108 54.840 0.019 0.000 0.810 48 L CB 0.611 42.705 42.059 0.058 0.000 1.153 48 L HN 0.648 nan 8.230 nan 0.000 0.439 49 E N 2.702 122.960 120.200 0.097 0.000 2.340 49 E HA 0.319 4.669 4.350 -0.001 0.000 0.273 49 E C -1.238 175.404 176.600 0.070 0.000 0.891 49 E CA -1.015 55.441 56.400 0.093 0.000 0.757 49 E CB 1.815 31.614 29.700 0.165 0.000 1.231 49 E HN 0.427 nan 8.360 nan 0.000 0.439 50 Q N 1.600 121.425 119.800 0.040 0.000 2.373 50 Q HA 0.251 4.590 4.340 -0.001 0.000 0.255 50 Q C -2.230 173.762 176.000 -0.015 0.000 0.980 50 Q CA -1.636 54.176 55.803 0.016 0.000 0.882 50 Q CB 0.320 29.064 28.738 0.010 0.000 1.249 50 Q HN 0.232 nan 8.270 nan 0.000 0.438 51 P HA 0.038 nan 4.420 nan 0.000 0.266 51 P C -1.938 175.315 177.300 -0.079 0.000 1.195 51 P CA -0.887 62.160 63.100 -0.088 0.000 0.768 51 P CB 0.039 31.684 31.700 -0.092 0.000 0.838 52 P HA -0.118 nan 4.420 nan 0.000 0.222 52 P C 0.115 177.378 177.300 -0.061 0.000 1.147 52 P CA 1.498 64.552 63.100 -0.077 0.000 0.790 52 P CB 0.031 31.673 31.700 -0.096 0.000 0.780 57 S N 0.090 115.771 115.700 -0.031 0.000 2.564 57 S HA 0.589 5.059 4.470 -0.001 0.000 0.278 57 S C 1.745 176.323 174.600 -0.038 0.000 1.333 57 S CA 0.646 58.821 58.200 -0.041 0.000 1.048 57 S CB 1.896 65.067 63.200 -0.049 0.000 0.900 57 S HN 1.213 nan 8.310 nan 0.000 0.505 58 A N 3.227 126.018 122.820 -0.048 0.000 1.972 58 A HA 0.342 4.661 4.320 -0.001 0.000 0.219 58 A C 1.475 179.035 177.584 -0.040 0.000 1.169 58 A CA 0.999 53.007 52.037 -0.049 0.000 0.635 58 A CB -1.336 17.628 19.000 -0.061 0.000 0.810 58 A HN 1.476 nan 8.150 nan 0.000 0.446 59 A N -0.204 122.587 122.820 -0.047 0.000 2.425 59 A HA 0.483 4.803 4.320 -0.001 0.000 0.242 59 A C 0.404 177.983 177.584 -0.007 0.000 1.077 59 A CA 0.392 52.405 52.037 -0.040 0.000 0.781 59 A CB -0.077 18.875 19.000 -0.081 0.000 1.020 59 A HN 1.381 nan 8.150 nan 0.000 0.494 60 V N -1.508 118.426 119.914 0.034 0.000 3.126 60 V HA 0.783 4.902 4.120 -0.001 0.000 0.314 60 V C -0.216 175.951 176.094 0.121 0.000 1.138 60 V CA -1.043 61.301 62.300 0.072 0.000 1.034 60 V CB 1.195 33.080 31.823 0.102 0.000 1.075 60 V HN 0.990 nan 8.190 nan 0.000 0.442 61 C N 1.905 121.288 119.300 0.139 0.000 2.529 61 C HA 0.861 5.321 4.460 -0.001 0.000 0.329 61 C C -0.521 174.634 174.990 0.275 0.000 1.194 61 C CA -0.490 58.660 59.018 0.220 0.000 1.779 61 C CB 0.911 28.737 27.740 0.143 0.000 2.322 61 C HN 0.814 nan 8.230 nan 0.000 0.500 62 L N 2.665 124.078 121.223 0.317 0.000 2.325 62 L HA 0.578 4.918 4.340 -0.001 0.000 0.281 62 L C 0.170 177.224 176.870 0.306 0.000 1.004 62 L CA -0.002 54.979 54.840 0.234 0.000 0.823 62 L CB 0.773 42.848 42.059 0.026 0.000 1.236 62 L HN 0.570 nan 8.230 nan 0.000 0.415 63 R N 1.764 122.358 120.500 0.157 0.000 2.338 63 R HA 0.622 4.962 4.340 -0.001 0.000 0.317 63 R C 0.078 176.275 176.300 -0.171 0.000 0.968 63 R CA -0.298 55.684 56.100 -0.197 0.000 0.849 63 R CB 1.354 31.416 30.300 -0.397 0.000 1.128 63 R HN 0.825 nan 8.270 nan 0.000 0.448 64 S N 2.720 118.204 115.700 -0.359 0.000 2.641 64 S HA 0.001 4.470 4.470 -0.001 0.000 0.261 64 S C 1.455 175.721 174.600 -0.558 0.000 1.257 64 S CA -0.390 57.336 58.200 -0.790 0.000 0.983 64 S CB 0.573 63.339 63.200 -0.723 0.000 0.990 64 S HN 0.890 nan 8.310 nan 0.000 0.572 65 H N 0.218 118.954 119.070 -0.557 0.000 2.521 65 H HA 0.065 4.621 4.556 -0.001 0.000 0.286 65 H C 1.365 176.549 175.328 -0.240 0.000 1.034 65 H CA 1.109 56.949 56.048 -0.347 0.000 1.278 65 H CB -0.546 29.038 29.762 -0.296 0.000 1.386 65 H HN 0.546 nan 8.280 nan 0.000 0.567 66 L N 0.292 121.040 121.223 -0.793 0.000 2.554 66 L HA 0.158 4.498 4.340 -0.001 0.000 0.226 66 L C 1.629 178.294 176.870 -0.342 0.000 1.137 66 L CA 0.594 55.131 54.840 -0.505 0.000 0.863 66 L CB 0.087 41.871 42.059 -0.457 0.000 0.985 66 L HN 0.574 nan 8.230 nan 0.000 0.451 67 G N 0.233 108.810 108.800 -0.371 0.000 2.136 67 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.242 67 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.242 67 G C 0.152 174.784 174.900 -0.447 0.000 0.989 67 G CA -0.244 44.645 45.100 -0.352 0.000 0.682 67 G HN 0.192 nan 8.290 nan 0.000 0.522 68 R N -0.885 119.330 120.500 -0.475 0.000 2.720 68 R HA 0.682 5.022 4.340 -0.001 0.000 0.272 68 R C -0.687 175.349 176.300 -0.440 0.000 0.991 68 R CA -0.897 54.950 56.100 -0.421 0.000 1.010 68 R CB 0.609 30.660 30.300 -0.415 0.000 1.141 68 R HN 0.192 nan 8.270 nan 0.000 0.494 69 Y N 0.283 120.567 120.300 -0.027 0.000 2.360 69 Y HA 0.285 4.835 4.550 -0.000 0.000 0.337 69 Y C 0.499 176.463 175.900 0.106 0.000 1.039 69 Y CA -1.006 57.133 58.100 0.064 0.000 1.109 69 Y CB 1.260 39.741 38.460 0.036 0.000 1.201 69 Y HN 0.325 nan 8.280 nan 0.000 0.458 70 L N 3.255 124.656 121.223 0.297 0.000 2.490 70 L HA 0.511 4.851 4.340 -0.001 0.000 0.274 70 L C -0.193 176.865 176.870 0.313 0.000 1.201 70 L CA 0.364 55.311 54.840 0.178 0.000 0.869 70 L CB -0.152 41.817 42.059 -0.151 0.000 1.123 70 L HN 0.751 nan 8.230 nan 0.000 0.484 71 A N 4.232 127.203 122.820 0.252 0.000 2.549 71 A HA 0.912 5.231 4.320 -0.001 0.000 0.297 71 A C -1.331 176.407 177.584 0.258 0.000 1.061 71 A CA -0.125 52.054 52.037 0.237 0.000 0.690 71 A CB 1.491 20.568 19.000 0.128 0.000 1.287 71 A HN 1.102 nan 8.150 nan 0.000 0.402 72 A N 2.006 124.969 122.820 0.237 0.000 2.343 72 A HA 0.706 5.026 4.320 -0.001 0.000 0.308 72 A C -0.572 177.130 177.584 0.197 0.000 1.092 72 A CA -0.360 51.833 52.037 0.260 0.000 0.751 72 A CB 0.645 19.876 19.000 0.385 0.000 1.203 72 A HN 1.051 nan 8.150 nan 0.000 0.452 73 D N 1.323 121.795 120.400 0.120 0.000 2.466 73 D HA 0.191 4.831 4.640 -0.001 0.000 0.262 73 D C 1.050 177.130 176.300 -0.367 0.000 1.177 73 D CA -0.400 53.593 54.000 -0.011 0.000 1.035 73 D CB 0.600 41.405 40.800 0.008 0.000 1.105 73 D HN 0.506 nan 8.370 nan 0.000 0.551 74 K N -0.813 119.170 120.400 -0.694 0.000 2.360 74 K HA -0.129 4.190 4.320 -0.001 0.000 0.201 74 K C 0.038 176.490 176.600 -0.245 0.000 1.046 74 K CA 1.120 56.886 56.287 -0.869 0.000 0.945 74 K CB -0.175 32.045 32.500 -0.466 0.000 0.750 74 K HN 0.263 nan 8.250 nan 0.000 0.464 75 D N 0.103 120.460 120.400 -0.071 0.000 2.349 75 D HA 0.077 4.716 4.640 -0.001 0.000 0.214 75 D C 0.965 177.399 176.300 0.224 0.000 1.063 75 D CA 0.831 54.895 54.000 0.106 0.000 0.847 75 D CB 0.992 41.820 40.800 0.046 0.000 0.933 75 D HN 0.527 nan 8.370 nan 0.000 0.513 76 G N 1.256 110.174 108.800 0.196 0.000 2.176 76 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.232 76 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.232 76 G C 0.058 175.091 174.900 0.222 0.000 0.986 76 G CA -0.476 44.800 45.100 0.292 0.000 0.643 76 G HN 0.317 nan 8.290 nan 0.000 0.522 77 N N 0.039 118.831 118.700 0.153 0.000 2.497 77 N HA 0.452 5.192 4.740 -0.001 0.000 0.268 77 N C -0.024 175.600 175.510 0.189 0.000 1.171 77 N CA -0.015 53.124 53.050 0.148 0.000 0.948 77 N CB 1.839 40.387 38.487 0.102 0.000 1.069 77 N HN 0.137 nan 8.380 nan 0.000 0.460 78 V N 1.480 121.527 119.914 0.222 0.000 2.483 78 V HA 0.580 4.699 4.120 -0.001 0.000 0.295 78 V C 0.337 176.554 176.094 0.205 0.000 1.035 78 V CA -0.466 61.981 62.300 0.246 0.000 0.896 78 V CB 1.402 33.442 31.823 0.362 0.000 0.986 78 V HN 0.896 nan 8.190 nan 0.000 0.447 79 T N 0.144 114.808 114.554 0.182 0.000 2.883 79 T HA 0.427 4.776 4.350 -0.001 0.000 0.296 79 T C -0.627 174.175 174.700 0.171 0.000 1.117 79 T CA -0.647 61.557 62.100 0.173 0.000 1.006 79 T CB 1.718 70.671 68.868 0.143 0.000 1.191 79 T HN 0.630 nan 8.240 nan 0.000 0.508 80 C N 2.228 121.635 119.300 0.178 0.000 3.206 80 C HA 0.443 4.903 4.460 -0.001 0.000 0.206 80 C C 1.109 176.085 174.990 -0.025 0.000 1.836 80 C CA -0.272 58.833 59.018 0.144 0.000 1.382 80 C CB -1.547 26.346 27.740 0.254 0.000 2.405 80 C HN 1.058 nan 8.230 nan 0.000 0.516 81 E N 0.018 120.181 120.200 -0.063 0.000 2.434 81 E HA 0.205 4.555 4.350 -0.001 0.000 0.207 81 E C 0.470 176.921 176.600 -0.249 0.000 0.929 81 E CA -0.438 55.773 56.400 -0.315 0.000 1.001 81 E CB 0.009 29.684 29.700 -0.041 0.000 1.016 81 E HN 0.343 nan 8.360 nan 0.000 0.502 82 R N 1.978 122.446 120.500 -0.054 0.000 2.538 82 R HA 0.036 4.375 4.340 -0.001 0.000 0.282 82 R C 0.466 176.803 176.300 0.061 0.000 1.009 82 R CA 0.416 56.528 56.100 0.019 0.000 1.063 82 R CB 0.436 30.790 30.300 0.090 0.000 0.945 82 R HN 0.396 nan 8.270 nan 0.000 0.414 83 E N 0.860 121.075 120.200 0.026 0.000 2.385 83 E HA -0.022 4.327 4.350 -0.001 0.000 0.194 83 E C 0.468 177.190 176.600 0.205 0.000 1.013 83 E CA 0.491 56.925 56.400 0.058 0.000 0.866 83 E CB 0.474 30.167 29.700 -0.012 0.000 0.832 83 E HN 0.438 nan 8.360 nan 0.000 0.500 84 V N -1.385 118.601 119.914 0.120 0.000 2.841 84 V HA 0.493 4.613 4.120 -0.001 0.000 0.310 84 V C -3.008 172.940 176.094 -0.244 0.000 1.090 84 V CA -3.131 59.153 62.300 -0.027 0.000 0.930 84 V CB 1.852 33.648 31.823 -0.046 0.000 1.014 84 V HN -0.212 nan 8.190 nan 0.000 0.425 85 P HA 0.553 nan 4.420 nan 0.000 0.271 85 P C 0.147 177.281 177.300 -0.276 0.000 1.218 85 P CA 0.517 63.265 63.100 -0.588 0.000 0.780 85 P CB 1.152 32.417 31.700 -0.725 0.000 0.901 86 G N 1.613 110.296 108.800 -0.195 0.000 3.176 86 G HA2 0.450 4.410 3.960 -0.001 0.000 0.272 86 G HA3 0.450 4.410 3.960 -0.001 0.000 0.272 86 G C -2.237 172.573 174.900 -0.150 0.000 1.349 86 G CA -1.339 43.678 45.100 -0.139 0.000 0.953 86 G HN 0.110 nan 8.290 nan 0.000 0.559 87 P HA -0.027 nan 4.420 nan 0.000 0.216 87 P C 0.787 177.957 177.300 -0.217 0.000 1.150 87 P CA 1.069 64.072 63.100 -0.161 0.000 0.837 87 P CB 0.280 31.906 31.700 -0.123 0.000 0.786 88 D N -2.182 118.127 120.400 -0.153 0.000 2.363 88 D HA -0.027 4.613 4.640 -0.001 0.000 0.220 88 D C 0.975 177.113 176.300 -0.270 0.000 0.994 88 D CA 0.520 54.427 54.000 -0.156 0.000 0.890 88 D CB -0.580 40.229 40.800 0.015 0.000 0.906 88 D HN 0.178 nan 8.370 nan 0.000 0.530 89 C N 0.541 119.697 119.300 -0.241 0.000 2.697 89 C HA 0.225 4.685 4.460 -0.001 0.000 0.267 89 C C 0.940 175.734 174.990 -0.327 0.000 1.278 89 C CA -0.460 58.449 59.018 -0.182 0.000 1.708 89 C CB -0.916 26.771 27.740 -0.087 0.000 1.860 89 C HN 0.068 nan 8.230 nan 0.000 0.589 90 R N 0.485 120.680 120.500 -0.508 0.000 2.207 90 R HA 0.531 4.871 4.340 -0.001 0.000 0.334 90 R C -1.186 174.742 176.300 -0.620 0.000 1.013 90 R CA 0.145 56.009 56.100 -0.393 0.000 0.858 90 R CB 0.574 30.701 30.300 -0.288 0.000 1.094 90 R HN 0.193 nan 8.270 nan 0.000 0.457 91 F N 2.404 122.304 119.950 -0.083 0.000 2.546 91 F HA 0.449 4.975 4.527 -0.001 0.000 0.320 91 F C -0.077 175.674 175.800 -0.082 0.000 1.076 91 F CA -0.975 56.974 58.000 -0.084 0.000 0.928 91 F CB 1.447 40.394 39.000 -0.090 0.000 1.189 91 F HN 0.131 nan 8.300 nan 0.000 0.465 92 L N 3.907 125.199 121.223 0.115 0.000 2.296 92 L HA 0.500 4.840 4.340 -0.001 0.000 0.286 92 L C -0.493 176.373 176.870 -0.008 0.000 1.023 92 L CA -0.561 54.291 54.840 0.020 0.000 0.812 92 L CB 1.366 43.419 42.059 -0.010 0.000 1.223 92 L HN 0.481 nan 8.230 nan 0.000 0.421 93 I N 3.850 124.336 120.570 -0.139 0.000 2.396 93 I HA 0.127 4.297 4.170 -0.001 0.000 0.289 93 I C -0.246 175.689 176.117 -0.304 0.000 1.056 93 I CA -0.302 60.778 61.300 -0.366 0.000 1.365 93 I CB 1.269 38.809 38.000 -0.766 0.000 1.407 93 I HN 0.258 nan 8.210 nan 0.000 0.509 94 V N 7.219 127.006 119.914 -0.212 0.000 2.311 94 V HA 0.413 4.532 4.120 -0.001 0.000 0.275 94 V C 0.552 176.456 176.094 -0.317 0.000 1.022 94 V CA -0.575 61.616 62.300 -0.181 0.000 0.830 94 V CB 1.148 32.943 31.823 -0.047 0.000 1.012 94 V HN 0.818 nan 8.190 nan 0.000 0.452 95 A N 5.452 128.132 122.820 -0.235 0.000 2.320 95 A HA 0.599 4.919 4.320 -0.001 0.000 0.287 95 A C 0.021 177.520 177.584 -0.142 0.000 1.181 95 A CA -0.379 51.614 52.037 -0.075 0.000 0.831 95 A CB 0.084 19.109 19.000 0.042 0.000 1.102 95 A HN 0.850 nan 8.150 nan 0.000 0.513 96 H N 1.376 120.548 119.070 0.170 0.000 2.508 96 H HA 0.148 4.704 4.556 -0.001 0.000 0.344 96 H C -0.043 175.321 175.328 0.059 0.000 1.192 96 H CA -0.540 55.563 56.048 0.093 0.000 1.290 96 H CB 1.197 31.010 29.762 0.085 0.000 1.571 96 H HN 0.696 nan 8.280 nan 0.000 0.555 97 D N 0.202 120.694 120.400 0.154 0.000 2.263 97 D HA -0.136 4.503 4.640 -0.001 0.000 0.208 97 D C 0.986 177.319 176.300 0.055 0.000 0.971 97 D CA 1.105 55.140 54.000 0.059 0.000 0.867 97 D CB -0.110 40.706 40.800 0.026 0.000 0.929 97 D HN 0.585 nan 8.370 nan 0.000 0.492 98 D N -1.609 118.841 120.400 0.083 0.000 2.342 98 D HA 0.195 4.835 4.640 -0.001 0.000 0.221 98 D C 1.490 177.818 176.300 0.045 0.000 1.101 98 D CA 0.393 54.414 54.000 0.035 0.000 0.837 98 D CB 0.075 40.875 40.800 -0.000 0.000 0.938 98 D HN 0.162 nan 8.370 nan 0.000 0.508 99 G N 0.033 108.893 108.800 0.100 0.000 2.213 99 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.236 99 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.236 99 G C 0.333 175.315 174.900 0.136 0.000 0.991 99 G CA -0.285 44.876 45.100 0.102 0.000 0.629 99 G HN 0.344 nan 8.290 nan 0.000 0.517 100 R N -0.795 119.823 120.500 0.197 0.000 2.607 100 R HA 0.762 5.102 4.340 -0.001 0.000 0.261 100 R C -0.350 176.289 176.300 0.564 0.000 1.051 100 R CA -1.498 54.754 56.100 0.254 0.000 1.110 100 R CB 0.180 30.594 30.300 0.190 0.000 1.158 100 R HN 0.199 nan 8.270 nan 0.000 0.543 101 W N -0.834 120.651 121.300 0.308 0.000 2.706 101 W HA 0.525 5.184 4.660 -0.000 0.000 0.346 101 W C -0.117 176.651 176.519 0.415 0.000 1.071 101 W CA -0.681 56.826 57.345 0.269 0.000 1.206 101 W CB 1.280 30.843 29.460 0.171 0.000 1.413 101 W HN 0.296 nan 8.180 nan 0.000 0.542 102 S N 1.520 117.549 115.700 0.548 0.000 2.621 102 S HA 0.725 5.194 4.470 -0.001 0.000 0.302 102 S C -0.880 173.973 174.600 0.422 0.000 1.093 102 S CA -0.732 57.804 58.200 0.560 0.000 1.017 102 S CB 1.195 64.683 63.200 0.480 0.000 1.077 102 S HN 0.248 nan 8.310 nan 0.000 0.517 103 L N 2.257 123.755 121.223 0.457 0.000 2.342 103 L HA 0.479 4.818 4.340 -0.001 0.000 0.276 103 L C -0.249 176.858 176.870 0.395 0.000 0.997 103 L CA -0.289 54.716 54.840 0.274 0.000 0.838 103 L CB 1.598 43.671 42.059 0.023 0.000 1.224 103 L HN 0.564 nan 8.230 nan 0.000 0.416 104 Q N 2.007 121.992 119.800 0.309 0.000 2.271 104 Q HA 0.282 4.622 4.340 -0.001 0.000 0.258 104 Q C -0.242 175.863 176.000 0.175 0.000 0.936 104 Q CA -0.391 55.471 55.803 0.099 0.000 0.909 104 Q CB 2.062 30.729 28.738 -0.119 0.000 1.253 104 Q HN 0.588 nan 8.270 nan 0.000 0.440 105 S N 2.632 118.394 115.700 0.105 0.000 2.515 105 S HA -0.054 4.416 4.470 -0.001 0.000 0.285 105 S C 0.899 175.362 174.600 -0.228 0.000 1.265 105 S CA 0.129 58.250 58.200 -0.132 0.000 1.079 105 S CB 0.790 63.976 63.200 -0.023 0.000 0.877 105 S HN 0.865 nan 8.310 nan 0.000 0.493 106 E N 4.177 124.187 120.200 -0.317 0.000 2.106 106 E HA -0.104 4.246 4.350 -0.001 0.000 0.192 106 E C 1.958 178.379 176.600 -0.297 0.000 0.984 106 E CA 1.137 57.387 56.400 -0.251 0.000 0.806 106 E CB -0.269 29.292 29.700 -0.231 0.000 0.750 106 E HN 0.875 nan 8.360 nan 0.000 0.458 107 A N 0.378 122.918 122.820 -0.467 0.000 1.929 107 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 107 A C 1.606 178.858 177.584 -0.553 0.000 1.176 107 A CA 1.248 52.928 52.037 -0.594 0.000 0.628 107 A CB -0.343 18.116 19.000 -0.903 0.000 0.816 107 A HN 0.345 nan 8.150 nan 0.000 0.444 108 H N -2.100 116.897 119.070 -0.122 0.000 2.740 108 H HA 0.202 4.757 4.556 -0.001 0.000 0.265 108 H C 0.014 175.267 175.328 -0.124 0.000 0.978 108 H CA 0.381 56.370 56.048 -0.098 0.000 1.198 108 H CB 0.438 30.160 29.762 -0.067 0.000 1.467 108 H HN 0.306 nan 8.280 nan 0.000 0.511 109 R N 0.811 121.255 120.500 -0.092 0.000 3.651 109 R HA -0.154 4.185 4.340 -0.001 0.000 0.292 109 R C -0.280 175.868 176.300 -0.253 0.000 1.161 109 R CA 0.333 56.329 56.100 -0.173 0.000 0.787 109 R CB -2.208 28.022 30.300 -0.117 0.000 1.249 109 R HN 0.447 nan 8.270 nan 0.000 0.476 110 R N -0.597 119.784 120.500 -0.198 0.000 2.828 110 R HA 0.553 4.892 4.340 -0.001 0.000 0.264 110 R C -0.478 175.695 176.300 -0.211 0.000 1.022 110 R CA -0.746 55.237 56.100 -0.196 0.000 1.021 110 R CB 0.981 31.250 30.300 -0.051 0.000 1.163 110 R HN -0.051 nan 8.270 nan 0.000 0.494 111 Y N 0.431 120.850 120.300 0.199 0.000 2.342 111 Y HA 0.270 4.819 4.550 -0.001 0.000 0.334 111 Y C -0.137 175.981 175.900 0.364 0.000 1.067 111 Y CA -0.728 57.539 58.100 0.279 0.000 1.128 111 Y CB 0.867 39.468 38.460 0.234 0.000 1.200 111 Y HN 0.398 nan 8.280 nan 0.000 0.464 112 F N 2.529 122.715 119.950 0.394 0.000 2.456 112 F HA 0.630 5.156 4.527 -0.001 0.000 0.358 112 F C 0.383 176.499 175.800 0.527 0.000 1.095 112 F CA -0.014 58.188 58.000 0.336 0.000 1.216 112 F CB 0.124 39.175 39.000 0.084 0.000 1.125 112 F HN 0.557 nan 8.300 nan 0.000 0.549 113 G N 1.926 110.658 108.800 -0.114 0.000 2.430 113 G HA2 0.608 4.567 3.960 -0.001 0.000 0.300 113 G HA3 0.608 4.567 3.960 -0.001 0.000 0.300 113 G C -0.789 174.013 174.900 -0.162 0.000 1.330 113 G CA 0.038 45.086 45.100 -0.087 0.000 0.813 113 G HN 1.613 nan 8.290 nan 0.000 0.487 114 G N -1.940 106.736 108.800 -0.207 0.000 2.331 114 G HA2 0.598 4.557 3.960 -0.001 0.000 0.479 114 G HA3 0.598 4.557 3.960 -0.001 0.000 0.479 114 G C -0.205 174.591 174.900 -0.172 0.000 1.262 114 G CA 0.532 45.555 45.100 -0.129 0.000 1.029 114 G HN 2.399 nan 8.290 nan 0.000 0.487 115 T N -2.437 112.065 114.554 -0.086 0.000 2.901 115 T HA 0.790 5.140 4.350 -0.001 0.000 0.293 115 T C 0.457 175.157 174.700 -0.000 0.000 1.084 115 T CA 0.619 62.676 62.100 -0.073 0.000 1.008 115 T CB 2.490 71.316 68.868 -0.071 0.000 1.170 115 T HN 1.551 nan 8.240 nan 0.000 0.509 116 E N 1.372 121.586 120.200 0.022 0.000 3.439 116 E HA -0.239 4.110 4.350 -0.001 0.000 0.385 116 E C 0.018 176.677 176.600 0.097 0.000 1.557 116 E CA 2.023 58.459 56.400 0.061 0.000 1.684 116 E CB -1.263 28.463 29.700 0.043 0.000 1.677 116 E HN 1.051 nan 8.360 nan 0.000 0.455 117 D N 1.049 121.505 120.400 0.094 0.000 2.587 117 D HA 0.146 4.786 4.640 -0.001 0.000 0.233 117 D C 0.389 176.755 176.300 0.109 0.000 1.213 117 D CA 0.035 54.108 54.000 0.121 0.000 0.827 117 D CB -0.275 40.597 40.800 0.120 0.000 1.006 117 D HN 0.182 nan 8.370 nan 0.000 0.490 118 R N 0.419 120.973 120.500 0.090 0.000 2.816 118 R HA 0.330 4.669 4.340 -0.001 0.000 0.382 118 R C -0.093 176.254 176.300 0.079 0.000 1.140 118 R CA -0.439 55.707 56.100 0.077 0.000 1.050 118 R CB 0.713 31.041 30.300 0.047 0.000 1.396 118 R HN 0.095 nan 8.270 nan 0.000 0.583 119 L N 0.946 122.240 121.223 0.118 0.000 2.417 119 L HA 0.337 4.677 4.340 -0.001 0.000 0.268 119 L C 0.720 177.698 176.870 0.180 0.000 1.158 119 L CA 0.134 55.042 54.840 0.114 0.000 0.819 119 L CB 1.057 43.229 42.059 0.188 0.000 1.112 119 L HN 0.309 nan 8.230 nan 0.000 0.458 120 S N 0.141 115.951 115.700 0.183 0.000 2.727 120 S HA 0.352 4.822 4.470 -0.001 0.000 0.278 120 S C -1.088 173.745 174.600 0.389 0.000 1.186 120 S CA -0.833 57.538 58.200 0.284 0.000 0.836 120 S CB 1.706 65.031 63.200 0.209 0.000 1.186 120 S HN 0.628 nan 8.310 nan 0.000 0.499 121 C N 1.509 121.057 119.300 0.413 0.000 3.495 121 C HA 0.670 5.130 4.460 -0.001 0.000 0.201 121 C C 0.028 175.244 174.990 0.378 0.000 1.408 121 C CA -0.546 58.737 59.018 0.441 0.000 1.367 121 C CB -1.968 26.063 27.740 0.485 0.000 1.845 121 C HN 0.804 nan 8.230 nan 0.000 0.500 122 F N 2.299 122.362 119.950 0.189 0.000 2.747 122 F HA 0.547 5.073 4.527 -0.001 0.000 0.305 122 F C 1.427 177.315 175.800 0.146 0.000 1.065 122 F CA 0.620 58.701 58.000 0.136 0.000 1.230 122 F CB -0.011 39.050 39.000 0.101 0.000 1.027 122 F HN 0.460 nan 8.300 nan 0.000 0.607 123 A N 1.084 124.050 122.820 0.244 0.000 2.546 123 A HA 0.082 4.402 4.320 -0.001 0.000 0.243 123 A C 0.837 178.523 177.584 0.170 0.000 1.063 123 A CA 0.145 52.302 52.037 0.199 0.000 0.757 123 A CB 0.156 19.304 19.000 0.246 0.000 0.991 123 A HN 0.631 nan 8.150 nan 0.000 0.503 124 Q N 0.305 120.163 119.800 0.097 0.000 2.384 124 Q HA 0.090 4.430 4.340 -0.001 0.000 0.207 124 Q C 0.454 176.623 176.000 0.282 0.000 0.904 124 Q CA 1.009 56.884 55.803 0.120 0.000 0.933 124 Q CB 0.449 29.182 28.738 -0.008 0.000 1.077 124 Q HN 0.947 nan 8.270 nan 0.000 0.522 125 T N -3.547 111.142 114.554 0.224 0.000 2.901 125 T HA 0.598 4.948 4.350 -0.001 0.000 0.293 125 T C -0.439 174.234 174.700 -0.045 0.000 1.084 125 T CA -0.866 61.301 62.100 0.112 0.000 1.008 125 T CB 1.780 70.680 68.868 0.053 0.000 1.170 125 T HN -0.224 nan 8.240 nan 0.000 0.509 126 V N 2.842 122.627 119.914 -0.215 0.000 2.364 126 V HA 0.608 4.728 4.120 -0.001 0.000 0.272 126 V C 0.612 176.612 176.094 -0.158 0.000 1.036 126 V CA -0.344 61.782 62.300 -0.289 0.000 0.880 126 V CB 0.660 32.242 31.823 -0.403 0.000 0.991 126 V HN 1.213 nan 8.190 nan 0.000 0.460 127 S N 5.389 121.018 115.700 -0.118 0.000 2.759 127 S HA 0.614 5.084 4.470 -0.001 0.000 0.310 127 S C -2.063 172.454 174.600 -0.138 0.000 1.123 127 S CA -1.617 56.519 58.200 -0.107 0.000 0.959 127 S CB 1.992 65.153 63.200 -0.065 0.000 1.172 127 S HN 0.379 nan 8.310 nan 0.000 0.539 128 P HA -0.034 nan 4.420 nan 0.000 0.217 128 P C 1.413 178.586 177.300 -0.211 0.000 1.148 128 P CA 1.987 64.985 63.100 -0.169 0.000 0.828 128 P CB -0.274 31.339 31.700 -0.146 0.000 0.783 129 A N -0.445 122.265 122.820 -0.183 0.000 2.070 129 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 129 A C 1.647 179.076 177.584 -0.259 0.000 1.159 129 A CA 1.523 53.425 52.037 -0.226 0.000 0.656 129 A CB -0.868 18.050 19.000 -0.136 0.000 0.800 129 A HN 0.150 nan 8.150 nan 0.000 0.453 130 E N -0.265 119.849 120.200 -0.144 0.000 2.465 130 E HA 0.176 4.526 4.350 -0.001 0.000 0.195 130 E C -0.270 176.363 176.600 0.055 0.000 1.028 130 E CA 0.178 56.584 56.400 0.010 0.000 0.899 130 E CB 0.361 30.106 29.700 0.076 0.000 1.032 130 E HN 0.475 nan 8.360 nan 0.000 0.468 131 K N -0.104 120.201 120.400 -0.159 0.000 2.207 131 K HA 0.496 4.815 4.320 -0.001 0.000 0.255 131 K C -1.116 175.368 176.600 -0.193 0.000 0.941 131 K CA -0.671 55.602 56.287 -0.024 0.000 0.825 131 K CB 1.366 33.799 32.500 -0.112 0.000 1.119 131 K HN -0.080 nan 8.250 nan 0.000 0.430 132 W N -0.031 121.321 121.300 0.085 0.000 2.950 132 W HA 0.365 5.025 4.660 -0.001 0.000 0.340 132 W C -0.532 175.963 176.519 -0.039 0.000 1.139 132 W CA -0.578 56.784 57.345 0.029 0.000 1.188 132 W CB 2.046 31.564 29.460 0.096 0.000 1.426 132 W HN 0.295 nan 8.180 nan 0.000 0.531 133 S N 1.299 117.069 115.700 0.117 0.000 2.449 133 S HA 0.432 4.902 4.470 -0.001 0.000 0.310 133 S C -0.837 173.690 174.600 -0.122 0.000 1.096 133 S CA -0.674 57.493 58.200 -0.055 0.000 1.095 133 S CB 1.453 64.610 63.200 -0.071 0.000 1.007 133 S HN 0.335 nan 8.310 nan 0.000 0.474 134 V N 4.345 124.015 119.914 -0.408 0.000 2.614 134 V HA 0.240 4.359 4.120 -0.001 0.000 0.291 134 V C -0.271 175.904 176.094 0.135 0.000 1.049 134 V CA -0.158 61.885 62.300 -0.428 0.000 1.038 134 V CB 0.822 31.869 31.823 -1.292 0.000 0.980 134 V HN 0.978 nan 8.190 nan 0.000 0.481 135 H N 6.833 126.044 119.070 0.236 0.000 2.697 135 H HA 0.455 5.011 4.556 -0.001 0.000 0.270 135 H C 0.313 175.964 175.328 0.538 0.000 1.188 135 H CA -1.060 55.261 56.048 0.454 0.000 1.322 135 H CB 0.802 30.852 29.762 0.480 0.000 1.405 135 H HN 0.791 nan 8.280 nan 0.000 0.502 136 I N 1.621 122.679 120.570 0.814 0.000 2.692 136 I HA 0.295 4.465 4.170 -0.001 0.000 0.284 136 I C 0.348 176.872 176.117 0.678 0.000 1.159 136 I CA 0.359 62.023 61.300 0.607 0.000 1.423 136 I CB 1.408 39.611 38.000 0.339 0.000 1.380 136 I HN 0.578 nan 8.210 nan 0.000 0.580 137 A N 6.657 129.802 122.820 0.542 0.000 2.600 137 A HA 0.318 4.638 4.320 -0.001 0.000 0.252 137 A C 0.598 178.457 177.584 0.459 0.000 1.200 137 A CA -0.443 51.909 52.037 0.526 0.000 0.981 137 A CB 0.096 19.271 19.000 0.293 0.000 1.207 137 A HN 0.845 nan 8.150 nan 0.000 0.577 138 M N -1.003 118.840 119.600 0.405 0.000 2.369 138 M HA 0.441 4.920 4.480 -0.001 0.000 0.291 138 M C -0.052 176.510 176.300 0.437 0.000 1.178 138 M CA -0.268 55.228 55.300 0.327 0.000 0.996 138 M CB -0.743 31.983 32.600 0.210 0.000 1.472 138 M HN 0.282 nan 8.290 nan 0.000 0.496 139 H N 2.066 121.288 119.070 0.253 0.000 3.004 139 H HA 0.197 4.753 4.556 -0.001 0.000 0.316 139 H C -1.836 173.514 175.328 0.035 0.000 1.014 139 H CA -0.355 55.817 56.048 0.207 0.000 1.454 139 H CB 0.590 30.419 29.762 0.113 0.000 1.472 139 H HN 0.378 nan 8.280 nan 0.000 0.571 140 P HA -0.005 nan 4.420 nan 0.000 0.255 140 P C -0.668 176.584 177.300 -0.080 0.000 1.248 140 P CA 0.372 63.315 63.100 -0.263 0.000 0.807 140 P CB 0.548 31.773 31.700 -0.792 0.000 1.150 141 Q N 0.972 120.852 119.800 0.133 0.000 2.303 141 Q HA 0.465 4.805 4.340 -0.001 0.000 0.257 141 Q C -0.049 176.033 176.000 0.136 0.000 0.941 141 Q CA -0.529 55.361 55.803 0.145 0.000 0.931 141 Q CB 2.283 31.138 28.738 0.195 0.000 1.215 141 Q HN -0.015 nan 8.270 nan 0.000 0.437 142 V N -0.503 119.468 119.914 0.096 0.000 3.202 142 V HA 0.593 4.712 4.120 -0.001 0.000 0.306 142 V C -1.213 174.948 176.094 0.111 0.000 1.283 142 V CA -1.239 61.125 62.300 0.107 0.000 1.065 142 V CB 2.451 34.363 31.823 0.148 0.000 1.079 142 V HN 0.613 nan 8.190 nan 0.000 0.448 143 N N 0.596 119.385 118.700 0.149 0.000 2.430 143 N HA 0.723 5.462 4.740 -0.001 0.000 0.298 143 N C -1.154 174.547 175.510 0.318 0.000 1.130 143 N CA -0.346 52.838 53.050 0.223 0.000 0.894 143 N CB 2.316 40.936 38.487 0.221 0.000 1.209 143 N HN 0.756 nan 8.380 nan 0.000 0.503 144 I N 1.638 122.427 120.570 0.366 0.000 2.436 144 I HA 0.243 4.412 4.170 -0.001 0.000 0.289 144 I C -1.232 175.141 176.117 0.426 0.000 1.010 144 I CA -0.824 60.680 61.300 0.340 0.000 1.098 144 I CB 1.487 39.569 38.000 0.136 0.000 1.266 144 I HN 0.421 nan 8.210 nan 0.000 0.434 145 Y N 5.886 126.314 120.300 0.212 0.000 2.350 145 Y HA 0.392 4.941 4.550 -0.001 0.000 0.338 145 Y C 0.077 176.042 175.900 0.107 0.000 0.961 145 Y CA -0.572 57.481 58.100 -0.079 0.000 1.100 145 Y CB 1.851 40.105 38.460 -0.342 0.000 1.179 145 Y HN 0.528 nan 8.280 nan 0.000 0.454 146 S N 5.022 120.509 115.700 -0.354 0.000 2.499 146 S HA 0.196 4.666 4.470 -0.001 0.000 0.275 146 S C 1.061 175.296 174.600 -0.609 0.000 1.257 146 S CA -0.139 57.804 58.200 -0.427 0.000 1.050 146 S CB 0.476 63.511 63.200 -0.275 0.000 0.937 146 S HN 0.920 nan 8.310 nan 0.000 0.490 147 V N 3.407 123.074 119.914 -0.411 0.000 2.667 147 V HA -0.016 4.103 4.120 -0.001 0.000 0.252 147 V C 2.095 178.054 176.094 -0.226 0.000 1.065 147 V CA 1.920 64.085 62.300 -0.225 0.000 1.083 147 V CB -1.891 29.855 31.823 -0.129 0.000 0.692 147 V HN 0.972 nan 8.190 nan 0.000 0.468 148 T N -1.955 112.438 114.554 -0.269 0.000 2.894 148 T HA 0.019 4.369 4.350 -0.001 0.000 0.258 148 T C 2.083 176.678 174.700 -0.175 0.000 1.043 148 T CA 0.580 62.568 62.100 -0.188 0.000 1.141 148 T CB -0.306 68.461 68.868 -0.168 0.000 0.873 148 T HN 0.349 nan 8.240 nan 0.000 0.449 149 R N 1.152 121.520 120.500 -0.220 0.000 2.193 149 R HA 0.213 4.553 4.340 -0.001 0.000 0.213 149 R C 0.472 176.646 176.300 -0.209 0.000 1.055 149 R CA 0.301 56.298 56.100 -0.171 0.000 0.995 149 R CB -0.550 29.672 30.300 -0.131 0.000 0.893 149 R HN 0.393 nan 8.270 nan 0.000 0.459 150 K N 0.561 120.732 120.400 -0.382 0.000 3.096 150 K HA -0.160 4.160 4.320 -0.001 0.000 0.266 150 K C -0.528 175.851 176.600 -0.369 0.000 1.043 150 K CA 0.699 56.733 56.287 -0.422 0.000 0.758 150 K CB -0.633 31.832 32.500 -0.057 0.000 1.260 150 K HN 0.050 nan 8.250 nan 0.000 0.481 151 R N -0.520 119.648 120.500 -0.553 0.000 2.774 151 R HA 0.415 4.754 4.340 -0.001 0.000 0.272 151 R C -0.694 175.485 176.300 -0.202 0.000 1.000 151 R CA -0.810 55.191 56.100 -0.165 0.000 0.906 151 R CB 0.726 31.019 30.300 -0.010 0.000 1.227 151 R HN 0.069 nan 8.270 nan 0.000 0.468 152 Y N 0.010 120.411 120.300 0.168 0.000 2.320 152 Y HA 0.502 5.052 4.550 -0.001 0.000 0.324 152 Y C 0.957 176.997 175.900 0.233 0.000 1.190 152 Y CA -0.576 57.666 58.100 0.236 0.000 1.215 152 Y CB 1.358 39.973 38.460 0.258 0.000 1.221 152 Y HN 0.648 nan 8.280 nan 0.000 0.486 153 A N 3.977 127.007 122.820 0.350 0.000 2.462 153 A HA 0.403 4.722 4.320 -0.001 0.000 0.243 153 A C -0.379 177.389 177.584 0.307 0.000 1.076 153 A CA 0.030 52.210 52.037 0.238 0.000 0.773 153 A CB -0.199 18.841 19.000 0.066 0.000 1.010 153 A HN 0.871 nan 8.150 nan 0.000 0.493 154 H N 0.532 119.644 119.070 0.071 0.000 3.037 154 H HA 0.386 4.942 4.556 -0.001 0.000 0.336 154 H C -1.575 173.767 175.328 0.023 0.000 1.323 154 H CA -1.200 54.879 56.048 0.052 0.000 1.159 154 H CB 0.362 30.170 29.762 0.077 0.000 1.882 154 H HN 0.684 nan 8.280 nan 0.000 0.535 155 L N 1.844 123.041 121.223 -0.044 0.000 2.513 155 L HA 0.248 4.588 4.340 -0.001 0.000 0.272 155 L C 0.283 177.058 176.870 -0.158 0.000 1.187 155 L CA 0.581 55.361 54.840 -0.099 0.000 0.895 155 L CB 0.576 42.628 42.059 -0.012 0.000 1.147 155 L HN 0.668 nan 8.230 nan 0.000 0.483 156 S N 3.573 119.149 115.700 -0.207 0.000 2.610 156 S HA 0.836 5.305 4.470 -0.001 0.000 0.273 156 S C 0.050 174.632 174.600 -0.030 0.000 1.274 156 S CA -0.187 57.916 58.200 -0.162 0.000 1.023 156 S CB 0.846 63.952 63.200 -0.157 0.000 0.962 156 S HN 1.071 nan 8.310 nan 0.000 0.523 161 D N -0.391 119.993 120.400 -0.028 0.000 2.983 161 D HA -0.173 4.466 4.640 -0.001 0.000 0.225 161 D C 0.289 176.571 176.300 -0.030 0.000 1.174 161 D CA 2.212 56.197 54.000 -0.026 0.000 0.831 161 D CB -1.176 39.615 40.800 -0.016 0.000 1.104 161 D HN 0.993 nan 8.370 nan 0.000 0.421 162 E N -0.965 119.207 120.200 -0.047 0.000 2.456 162 E HA 0.662 5.011 4.350 -0.001 0.000 0.276 162 E C -0.652 175.889 176.600 -0.098 0.000 0.981 162 E CA -1.039 55.328 56.400 -0.056 0.000 0.814 162 E CB 1.477 31.151 29.700 -0.042 0.000 1.382 162 E HN 0.032 nan 8.360 nan 0.000 0.459 163 I N 1.473 121.981 120.570 -0.104 0.000 2.312 163 I HA 0.440 4.610 4.170 -0.001 0.000 0.290 163 I C -0.149 175.877 176.117 -0.153 0.000 1.008 163 I CA -0.606 60.604 61.300 -0.150 0.000 1.226 163 I CB 1.289 39.208 38.000 -0.134 0.000 1.371 163 I HN 0.642 nan 8.210 nan 0.000 0.468 164 A N 6.247 128.907 122.820 -0.267 0.000 2.279 164 A HA 0.672 4.992 4.320 -0.001 0.000 0.303 164 A C -0.151 177.413 177.584 -0.033 0.000 1.108 164 A CA -0.388 51.554 52.037 -0.158 0.000 0.830 164 A CB 1.122 20.017 19.000 -0.176 0.000 1.106 164 A HN 0.484 nan 8.150 nan 0.000 0.493 165 V N 2.673 122.631 119.914 0.074 0.000 2.271 165 V HA 0.263 4.383 4.120 -0.001 0.000 0.259 165 V C -0.688 175.494 176.094 0.146 0.000 1.030 165 V CA 0.088 62.473 62.300 0.142 0.000 0.957 165 V CB 0.030 31.931 31.823 0.131 0.000 1.186 165 V HN 0.998 nan 8.190 nan 0.000 0.471 166 D N 0.168 120.710 120.400 0.237 0.000 2.563 166 D HA 0.077 4.717 4.640 -0.001 0.000 0.256 166 D C 0.497 176.901 176.300 0.173 0.000 1.400 166 D CA -0.436 53.670 54.000 0.177 0.000 0.800 166 D CB 0.296 41.193 40.800 0.161 0.000 1.145 166 D HN 0.284 nan 8.370 nan 0.000 0.501 167 R N 0.841 121.462 120.500 0.201 0.000 2.390 167 R HA 0.198 4.537 4.340 -0.001 0.000 0.291 167 R C 0.129 176.575 176.300 0.244 0.000 1.070 167 R CA -0.383 55.781 56.100 0.107 0.000 1.014 167 R CB 1.066 31.347 30.300 -0.032 0.000 1.007 167 R HN -0.111 nan 8.270 nan 0.000 0.466 168 D N 0.916 121.418 120.400 0.170 0.000 2.149 168 D HA -0.068 4.571 4.640 -0.001 0.000 0.201 168 D C 0.655 177.163 176.300 0.347 0.000 0.972 168 D CA 1.238 55.365 54.000 0.213 0.000 0.835 168 D CB 0.258 41.109 40.800 0.084 0.000 0.966 168 D HN 0.309 nan 8.370 nan 0.000 0.476 169 V N -2.859 117.174 119.914 0.198 0.000 2.925 169 V HA 0.482 4.602 4.120 -0.001 0.000 0.311 169 V C -2.789 173.227 176.094 -0.130 0.000 1.104 169 V CA -2.048 60.270 62.300 0.031 0.000 0.954 169 V CB 2.633 34.474 31.823 0.029 0.000 1.022 169 V HN -0.243 nan 8.190 nan 0.000 0.427 170 P HA 0.145 nan 4.420 nan 0.000 0.218 170 P C -0.266 177.017 177.300 -0.028 0.000 1.793 170 P CA 0.096 62.984 63.100 -0.353 0.000 0.941 170 P CB -0.164 31.175 31.700 -0.601 0.000 1.919 171 W N 1.421 122.608 121.300 -0.188 0.000 2.283 171 W HA 0.401 5.061 4.660 -0.000 0.000 0.341 171 W C 0.781 177.231 176.519 -0.116 0.000 1.206 171 W CA 1.307 58.572 57.345 -0.133 0.000 1.294 171 W CB 1.862 31.256 29.460 -0.110 0.000 1.154 171 W HN 0.436 nan 8.180 nan 0.000 0.613 172 G N 0.753 109.450 108.800 -0.171 0.000 2.829 172 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.628 172 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.628 172 G C 0.003 174.852 174.900 -0.085 0.000 1.412 172 G CA -0.421 44.621 45.100 -0.096 0.000 0.864 172 G HN 0.791 nan 8.290 nan 0.000 0.544 173 V N 0.676 120.560 119.914 -0.050 0.000 2.490 173 V HA -0.100 4.019 4.120 -0.001 0.000 0.250 173 V C 2.562 178.663 176.094 0.011 0.000 1.061 173 V CA 3.095 65.380 62.300 -0.024 0.000 1.064 173 V CB -0.556 31.261 31.823 -0.010 0.000 0.670 173 V HN 0.919 nan 8.190 nan 0.000 0.461 174 D N -1.420 119.005 120.400 0.042 0.000 2.348 174 D HA -0.102 4.538 4.640 -0.001 0.000 0.216 174 D C 1.852 178.229 176.300 0.128 0.000 0.970 174 D CA 1.111 55.168 54.000 0.095 0.000 0.889 174 D CB -0.061 40.840 40.800 0.169 0.000 0.912 174 D HN 0.502 nan 8.370 nan 0.000 0.524 175 S N 0.051 115.805 115.700 0.089 0.000 2.562 175 S HA 0.053 4.523 4.470 -0.001 0.000 0.221 175 S C 0.724 175.363 174.600 0.066 0.000 0.975 175 S CA -0.526 57.735 58.200 0.102 0.000 0.918 175 S CB -0.101 63.120 63.200 0.036 0.000 0.772 175 S HN 0.250 nan 8.310 nan 0.000 0.531 176 L N 3.230 124.474 121.223 0.034 0.000 2.361 176 L HA 0.304 4.643 4.340 -0.001 0.000 0.278 176 L C -0.785 176.099 176.870 0.024 0.000 1.113 176 L CA 0.330 55.184 54.840 0.024 0.000 0.849 176 L CB 0.116 42.181 42.059 0.010 0.000 1.155 176 L HN -0.004 nan 8.230 nan 0.000 0.452 177 I N 4.563 125.152 120.570 0.032 0.000 2.404 177 I HA 0.351 4.521 4.170 -0.001 0.000 0.293 177 I C -0.060 176.065 176.117 0.014 0.000 0.992 177 I CA -0.303 61.005 61.300 0.013 0.000 1.149 177 I CB 1.579 39.587 38.000 0.013 0.000 1.315 177 I HN 0.542 nan 8.210 nan 0.000 0.446 178 T N 6.999 121.550 114.554 -0.006 0.000 2.786 178 T HA 0.512 4.861 4.350 -0.001 0.000 0.283 178 T C 0.151 174.865 174.700 0.024 0.000 0.992 178 T CA -0.470 61.618 62.100 -0.020 0.000 0.954 178 T CB 1.070 69.906 68.868 -0.054 0.000 0.934 178 T HN 0.249 nan 8.240 nan 0.000 0.440 179 L N 3.358 124.595 121.223 0.023 0.000 2.325 179 L HA 0.571 4.910 4.340 -0.001 0.000 0.284 179 L C 0.641 177.589 176.870 0.130 0.000 1.089 179 L CA -0.498 54.409 54.840 0.113 0.000 0.836 179 L CB 0.237 42.355 42.059 0.098 0.000 1.184 179 L HN 0.666 nan 8.230 nan 0.000 0.444 180 A N 3.865 126.811 122.820 0.209 0.000 2.320 180 A HA 0.758 5.078 4.320 -0.001 0.000 0.334 180 A C -0.724 176.913 177.584 0.088 0.000 1.147 180 A CA -0.544 51.595 52.037 0.169 0.000 0.820 180 A CB 0.664 19.827 19.000 0.272 0.000 1.218 180 A HN 0.438 nan 8.150 nan 0.000 0.482 181 F N 1.191 121.179 119.950 0.063 0.000 2.456 181 F HA 0.310 4.837 4.527 -0.000 0.000 0.358 181 F C 1.229 176.890 175.800 -0.232 0.000 1.095 181 F CA 0.639 58.505 58.000 -0.224 0.000 1.216 181 F CB 0.740 39.556 39.000 -0.306 0.000 1.125 181 F HN 0.587 nan 8.300 nan 0.000 0.549 182 Q N 1.482 121.208 119.800 -0.122 0.000 2.699 182 Q HA 0.204 4.543 4.340 -0.001 0.000 0.240 182 Q C 0.410 176.298 176.000 -0.186 0.000 1.033 182 Q CA -0.957 54.746 55.803 -0.166 0.000 0.938 182 Q CB 0.948 29.573 28.738 -0.189 0.000 1.312 182 Q HN 0.476 nan 8.270 nan 0.000 0.507 183 D N 0.732 121.026 120.400 -0.176 0.000 2.104 183 D HA -0.176 4.464 4.640 -0.001 0.000 0.194 183 D C 1.321 177.511 176.300 -0.184 0.000 0.994 183 D CA 1.767 55.663 54.000 -0.172 0.000 0.830 183 D CB 0.213 40.929 40.800 -0.141 0.000 0.959 183 D HN 0.521 nan 8.370 nan 0.000 0.452 184 Q N -1.221 118.478 119.800 -0.167 0.000 2.140 184 Q HA 0.304 4.644 4.340 -0.001 0.000 0.227 184 Q C 0.334 176.251 176.000 -0.138 0.000 0.798 184 Q CA -0.242 55.472 55.803 -0.148 0.000 0.987 184 Q CB 1.414 30.090 28.738 -0.104 0.000 1.161 184 Q HN 0.006 nan 8.270 nan 0.000 0.480 185 R N -0.498 119.895 120.500 -0.178 0.000 2.906 185 R HA 0.551 4.891 4.340 -0.001 0.000 0.258 185 R C -1.543 174.600 176.300 -0.262 0.000 1.156 185 R CA -0.766 55.273 56.100 -0.102 0.000 0.996 185 R CB 1.205 31.488 30.300 -0.029 0.000 1.259 185 R HN -0.037 nan 8.270 nan 0.000 0.462 186 Y N -0.026 120.353 120.300 0.132 0.000 2.409 186 Y HA 0.361 4.911 4.550 -0.001 0.000 0.339 186 Y C 0.071 176.098 175.900 0.212 0.000 1.033 186 Y CA -0.431 57.768 58.100 0.165 0.000 1.094 186 Y CB 2.294 40.880 38.460 0.210 0.000 1.210 186 Y HN 0.446 nan 8.280 nan 0.000 0.456 187 S N 1.035 116.920 115.700 0.309 0.000 2.646 187 S HA 0.542 5.012 4.470 -0.001 0.000 0.276 187 S C -0.744 174.061 174.600 0.342 0.000 1.222 187 S CA -0.938 57.462 58.200 0.333 0.000 1.014 187 S CB 1.546 64.928 63.200 0.304 0.000 0.991 187 S HN 0.339 nan 8.310 nan 0.000 0.533 188 V N 2.297 122.375 119.914 0.275 0.000 2.304 188 V HA 0.329 4.449 4.120 -0.001 0.000 0.269 188 V C 0.012 176.164 176.094 0.097 0.000 1.036 188 V CA -0.338 61.994 62.300 0.054 0.000 0.840 188 V CB 0.611 32.280 31.823 -0.256 0.000 1.036 188 V HN 0.831 nan 8.190 nan 0.000 0.466 189 Q N 3.673 123.519 119.800 0.076 0.000 2.314 189 Q HA 0.465 4.805 4.340 -0.001 0.000 0.259 189 Q C 0.259 176.199 176.000 -0.101 0.000 0.951 189 Q CA -0.532 55.238 55.803 -0.055 0.000 0.909 189 Q CB 1.557 30.267 28.738 -0.047 0.000 1.236 189 Q HN 0.856 nan 8.270 nan 0.000 0.444 190 T N 0.150 114.619 114.554 -0.141 0.000 2.788 190 T HA 0.436 4.786 4.350 -0.001 0.000 0.280 190 T C 1.094 175.758 174.700 -0.060 0.000 0.984 190 T CA -0.136 61.913 62.100 -0.085 0.000 0.972 190 T CB 1.133 69.955 68.868 -0.077 0.000 1.039 190 T HN 0.630 nan 8.240 nan 0.000 0.530 191 A N 0.597 123.409 122.820 -0.013 0.000 2.121 191 A HA 0.006 4.325 4.320 -0.001 0.000 0.218 191 A C 1.706 179.350 177.584 0.101 0.000 1.154 191 A CA 1.212 53.266 52.037 0.027 0.000 0.679 191 A CB -0.869 18.147 19.000 0.026 0.000 0.795 191 A HN 0.929 nan 8.150 nan 0.000 0.458 192 D N -2.127 118.305 120.400 0.053 0.000 2.319 192 D HA -0.016 4.624 4.640 -0.001 0.000 0.230 192 D C 0.505 176.828 176.300 0.038 0.000 1.094 192 D CA 0.348 54.361 54.000 0.021 0.000 0.856 192 D CB -1.085 39.677 40.800 -0.063 0.000 0.915 192 D HN 0.714 nan 8.370 nan 0.000 0.517 193 H N -2.050 116.907 119.070 -0.189 0.000 3.863 193 H HA -0.157 4.399 4.556 -0.001 0.000 0.160 193 H C 0.275 175.250 175.328 -0.588 0.000 0.870 193 H CA 0.572 56.439 56.048 -0.301 0.000 1.247 193 H CB -1.044 28.609 29.762 -0.181 0.000 0.921 193 H HN 0.211 nan 8.280 nan 0.000 0.421 194 R N 0.305 120.602 120.500 -0.338 0.000 2.583 194 R HA 0.482 4.822 4.340 -0.001 0.000 0.268 194 R C -0.411 175.516 176.300 -0.621 0.000 1.101 194 R CA -0.135 55.705 56.100 -0.433 0.000 1.180 194 R CB 0.532 30.738 30.300 -0.156 0.000 1.128 194 R HN -0.121 nan 8.270 nan 0.000 0.568 195 F N 0.612 120.574 119.950 0.021 0.000 2.520 195 F HA 0.287 4.814 4.527 -0.001 0.000 0.322 195 F C -0.144 175.667 175.800 0.019 0.000 1.103 195 F CA -1.084 56.929 58.000 0.023 0.000 0.926 195 F CB 1.106 40.119 39.000 0.022 0.000 1.154 195 F HN 0.187 nan 8.300 nan 0.000 0.453 196 L N 4.420 125.763 121.223 0.200 0.000 2.369 196 L HA 0.332 4.672 4.340 -0.001 0.000 0.279 196 L C 0.337 177.329 176.870 0.202 0.000 1.108 196 L CA 0.141 55.061 54.840 0.133 0.000 0.852 196 L CB 0.065 42.144 42.059 0.033 0.000 1.169 196 L HN 0.630 nan 8.230 nan 0.000 0.452 197 R N 2.232 122.794 120.500 0.103 0.000 2.560 197 R HA 0.146 4.486 4.340 -0.001 0.000 0.270 197 R C 0.876 177.231 176.300 0.092 0.000 1.074 197 R CA -0.135 55.971 56.100 0.010 0.000 1.140 197 R CB 0.626 30.879 30.300 -0.078 0.000 1.073 197 R HN 0.880 nan 8.270 nan 0.000 0.527 198 H N 0.249 119.398 119.070 0.132 0.000 2.559 198 H HA -0.028 4.528 4.556 -0.001 0.000 0.273 198 H C 0.588 175.983 175.328 0.111 0.000 1.000 198 H CA 0.957 57.117 56.048 0.186 0.000 1.195 198 H CB -0.093 29.757 29.762 0.146 0.000 1.368 198 H HN 0.670 nan 8.280 nan 0.000 0.592 199 D N -0.376 120.168 120.400 0.240 0.000 2.349 199 D HA 0.084 4.724 4.640 -0.001 0.000 0.224 199 D C 1.632 177.994 176.300 0.102 0.000 1.029 199 D CA 0.589 54.696 54.000 0.178 0.000 0.879 199 D CB -0.416 40.453 40.800 0.115 0.000 0.906 199 D HN 0.568 nan 8.370 nan 0.000 0.528 200 G N 0.417 109.271 108.800 0.090 0.000 2.195 200 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.224 200 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.224 200 G C 0.305 175.219 174.900 0.023 0.000 0.990 200 G CA -0.000 45.129 45.100 0.048 0.000 0.639 200 G HN 0.594 nan 8.290 nan 0.000 0.514 201 R N 0.877 121.391 120.500 0.023 0.000 2.357 201 R HA 0.685 5.024 4.340 -0.001 0.000 0.296 201 R C 0.413 176.721 176.300 0.014 0.000 1.052 201 R CA -0.680 55.426 56.100 0.010 0.000 0.988 201 R CB 0.234 30.538 30.300 0.006 0.000 1.025 201 R HN 0.201 nan 8.270 nan 0.000 0.469 202 L N 5.524 126.749 121.223 0.004 0.000 2.319 202 L HA 0.350 4.690 4.340 -0.001 0.000 0.280 202 L C -0.042 176.840 176.870 0.019 0.000 1.099 202 L CA -0.628 54.216 54.840 0.007 0.000 0.828 202 L CB 0.985 43.030 42.059 -0.023 0.000 1.150 202 L HN 0.549 nan 8.230 nan 0.000 0.442 203 V N 0.272 120.222 119.914 0.059 0.000 3.074 203 V HA 0.705 4.824 4.120 -0.001 0.000 0.314 203 V C 0.512 176.690 176.094 0.139 0.000 1.117 203 V CA -0.246 62.102 62.300 0.080 0.000 1.014 203 V CB 1.655 33.522 31.823 0.074 0.000 1.057 203 V HN 0.742 nan 8.190 nan 0.000 0.438 204 A N 1.588 124.482 122.820 0.123 0.000 1.970 204 A HA 0.312 4.632 4.320 -0.001 0.000 0.216 204 A C 1.266 179.033 177.584 0.305 0.000 1.170 204 A CA 0.666 52.792 52.037 0.148 0.000 0.645 204 A CB -0.169 18.879 19.000 0.079 0.000 0.816 204 A HN 0.842 nan 8.150 nan 0.000 0.447 205 R N -0.390 120.255 120.500 0.241 0.000 2.740 205 R HA 0.469 4.808 4.340 -0.001 0.000 0.282 205 R C -3.049 173.212 176.300 -0.064 0.000 0.969 205 R CA -2.186 53.994 56.100 0.133 0.000 0.918 205 R CB 1.315 31.636 30.300 0.034 0.000 1.175 205 R HN 0.058 nan 8.270 nan 0.000 0.464 206 P HA 0.079 nan 4.420 nan 0.000 0.275 206 P C -1.156 175.982 177.300 -0.271 0.000 1.228 206 P CA -0.220 62.550 63.100 -0.549 0.000 0.786 206 P CB 0.731 31.997 31.700 -0.724 0.000 0.927 207 E N 1.549 121.612 120.200 -0.228 0.000 2.437 207 E HA 0.341 4.691 4.350 -0.001 0.000 0.280 207 E C -2.664 173.834 176.600 -0.169 0.000 1.044 207 E CA -1.939 54.362 56.400 -0.164 0.000 0.826 207 E CB 0.136 29.759 29.700 -0.128 0.000 1.358 207 E HN -0.070 nan 8.360 nan 0.000 0.459 208 P HA -0.243 nan 4.420 nan 0.000 0.216 208 P C 1.125 178.334 177.300 -0.152 0.000 1.154 208 P CA 2.523 65.547 63.100 -0.125 0.000 0.865 208 P CB -0.046 31.607 31.700 -0.079 0.000 0.789 209 A N -0.951 121.763 122.820 -0.178 0.000 2.172 209 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 209 A C 1.832 179.188 177.584 -0.380 0.000 1.154 209 A CA 1.863 53.698 52.037 -0.337 0.000 0.701 209 A CB -1.457 17.232 19.000 -0.518 0.000 0.789 209 A HN 0.365 nan 8.150 nan 0.000 0.465 210 T N -3.772 110.617 114.554 -0.275 0.000 3.092 210 T HA 0.420 4.770 4.350 -0.001 0.000 0.258 210 T C 0.743 175.245 174.700 -0.330 0.000 1.031 210 T CA 0.312 62.290 62.100 -0.204 0.000 0.925 210 T CB 0.245 69.069 68.868 -0.073 0.000 1.036 210 T HN 0.364 nan 8.240 nan 0.000 0.544 211 G N 0.262 108.788 108.800 -0.456 0.000 2.389 211 G HA2 0.595 4.555 3.960 -0.001 0.000 0.317 211 G HA3 0.595 4.555 3.960 -0.001 0.000 0.317 211 G C -1.622 172.872 174.900 -0.677 0.000 1.137 211 G CA -0.741 44.139 45.100 -0.367 0.000 0.870 211 G HN 0.359 nan 8.290 nan 0.000 0.496 212 Y N -0.568 119.836 120.300 0.172 0.000 2.524 212 Y HA 0.438 4.988 4.550 -0.001 0.000 0.347 212 Y C 0.471 176.531 175.900 0.267 0.000 1.005 212 Y CA -0.815 57.420 58.100 0.225 0.000 1.025 212 Y CB 2.438 41.100 38.460 0.336 0.000 1.275 212 Y HN 0.455 nan 8.280 nan 0.000 0.460 213 T N 4.278 119.045 114.554 0.356 0.000 2.771 213 T HA 0.463 4.812 4.350 -0.001 0.000 0.291 213 T C -0.082 174.806 174.700 0.314 0.000 0.954 213 T CA -0.632 61.677 62.100 0.348 0.000 1.045 213 T CB 0.160 69.201 68.868 0.288 0.000 0.917 213 T HN 0.329 nan 8.240 nan 0.000 0.484 214 L N 3.187 124.585 121.223 0.291 0.000 2.380 214 L HA 0.412 4.751 4.340 -0.001 0.000 0.273 214 L C 0.720 177.514 176.870 -0.127 0.000 1.138 214 L CA -0.207 54.575 54.840 -0.097 0.000 0.832 214 L CB 0.536 42.440 42.059 -0.258 0.000 1.124 214 L HN 0.655 nan 8.230 nan 0.000 0.454 215 E N 2.847 122.779 120.200 -0.447 0.000 2.255 215 E HA 0.367 4.717 4.350 -0.001 0.000 0.256 215 E C -1.560 174.743 176.600 -0.494 0.000 0.887 215 E CA -0.598 55.564 56.400 -0.396 0.000 0.782 215 E CB 0.983 30.607 29.700 -0.127 0.000 1.214 215 E HN 0.270 nan 8.360 nan 0.000 0.417 216 F N 4.178 124.001 119.950 -0.211 0.000 2.410 216 F HA 0.497 5.024 4.527 -0.001 0.000 0.349 216 F C 0.472 176.197 175.800 -0.126 0.000 1.117 216 F CA -0.345 57.586 58.000 -0.115 0.000 1.104 216 F CB 1.020 40.003 39.000 -0.029 0.000 1.122 216 F HN 0.376 nan 8.300 nan 0.000 0.483 217 R N -0.347 120.203 120.500 0.083 0.000 2.663 217 R HA 0.527 4.866 4.340 -0.001 0.000 0.267 217 R C -0.483 175.831 176.300 0.024 0.000 1.038 217 R CA -1.099 55.014 56.100 0.021 0.000 0.886 217 R CB 1.323 31.593 30.300 -0.049 0.000 1.249 217 R HN 0.442 nan 8.270 nan 0.000 0.463 218 S N -0.038 115.669 115.700 0.012 0.000 3.587 218 S HA -0.188 4.281 4.470 -0.001 0.000 0.337 218 S C 1.110 175.728 174.600 0.029 0.000 1.119 218 S CA 1.377 59.580 58.200 0.005 0.000 0.976 218 S CB -1.468 61.720 63.200 -0.020 0.000 0.922 218 S HN 1.654 nan 8.310 nan 0.000 0.503 219 G N -0.927 107.907 108.800 0.058 0.000 2.168 219 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.257 219 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.257 219 G C -0.066 174.902 174.900 0.113 0.000 0.997 219 G CA 1.197 46.344 45.100 0.078 0.000 0.708 219 G HN 0.694 nan 8.290 nan 0.000 0.520 220 K N -1.670 118.804 120.400 0.123 0.000 2.372 220 K HA 0.873 5.193 4.320 -0.001 0.000 0.251 220 K C -0.591 176.100 176.600 0.152 0.000 1.055 220 K CA -0.544 55.823 56.287 0.132 0.000 0.879 220 K CB 2.496 35.031 32.500 0.057 0.000 1.384 220 K HN 0.515 nan 8.250 nan 0.000 0.465 221 V N 0.095 120.055 119.914 0.077 0.000 2.876 221 V HA 0.881 5.001 4.120 -0.001 0.000 0.312 221 V C -1.530 174.424 176.094 -0.232 0.000 1.085 221 V CA -0.501 61.683 62.300 -0.194 0.000 0.945 221 V CB 1.724 33.333 31.823 -0.357 0.000 1.017 221 V HN 0.834 nan 8.190 nan 0.000 0.428 222 A N 4.979 127.581 122.820 -0.364 0.000 2.386 222 A HA 0.952 5.271 4.320 -0.001 0.000 0.308 222 A C -1.502 175.884 177.584 -0.328 0.000 1.128 222 A CA -0.532 51.418 52.037 -0.145 0.000 0.789 222 A CB 1.449 20.442 19.000 -0.011 0.000 1.325 222 A HN 0.757 nan 8.150 nan 0.000 0.437 223 F N 0.557 120.652 119.950 0.243 0.000 2.445 223 F HA 0.518 5.044 4.527 -0.001 0.000 0.348 223 F C 0.485 176.414 175.800 0.216 0.000 1.125 223 F CA -0.275 57.809 58.000 0.139 0.000 0.983 223 F CB 1.764 40.658 39.000 -0.177 0.000 1.198 223 F HN 0.605 nan 8.300 nan 0.000 0.436 224 R N 3.230 123.901 120.500 0.285 0.000 2.294 224 R HA 0.256 4.596 4.340 -0.001 0.000 0.319 224 R C -0.530 175.862 176.300 0.153 0.000 0.984 224 R CA -0.681 55.381 56.100 -0.063 0.000 0.861 224 R CB 0.683 30.805 30.300 -0.297 0.000 1.104 224 R HN 0.741 nan 8.270 nan 0.000 0.451 225 D N 2.801 123.266 120.400 0.108 0.000 2.433 225 D HA -0.057 4.582 4.640 -0.001 0.000 0.255 225 D C 1.205 177.472 176.300 -0.055 0.000 1.226 225 D CA -0.685 53.343 54.000 0.046 0.000 1.015 225 D CB 0.513 41.362 40.800 0.082 0.000 1.091 225 D HN 0.667 nan 8.370 nan 0.000 0.527 226 C N -1.698 117.567 119.300 -0.058 0.000 2.511 226 C HA 0.158 4.617 4.460 -0.001 0.000 0.277 226 C C 1.062 176.020 174.990 -0.054 0.000 1.451 226 C CA -0.262 58.732 59.018 -0.040 0.000 1.735 226 C CB -0.973 26.758 27.740 -0.015 0.000 1.704 226 C HN 0.469 nan 8.230 nan 0.000 0.571 227 E N 0.430 120.562 120.200 -0.114 0.000 2.501 227 E HA 0.238 4.588 4.350 -0.001 0.000 0.201 227 E C 1.746 178.286 176.600 -0.100 0.000 1.016 227 E CA 0.739 57.070 56.400 -0.114 0.000 0.920 227 E CB 0.290 29.879 29.700 -0.185 0.000 1.023 227 E HN 0.801 nan 8.360 nan 0.000 0.474 228 G N 2.192 110.927 108.800 -0.109 0.000 2.143 228 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.249 228 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.249 228 G C 0.320 175.099 174.900 -0.202 0.000 0.981 228 G CA 0.266 45.285 45.100 -0.135 0.000 0.665 228 G HN 0.204 nan 8.290 nan 0.000 0.528 229 R N -1.002 119.388 120.500 -0.183 0.000 2.536 229 R HA 0.624 4.963 4.340 -0.001 0.000 0.279 229 R C -0.523 175.668 176.300 -0.182 0.000 1.001 229 R CA -0.696 55.331 56.100 -0.122 0.000 1.027 229 R CB 0.750 31.015 30.300 -0.058 0.000 1.096 229 R HN 0.205 nan 8.270 nan 0.000 0.502 230 Y N 1.139 121.503 120.300 0.106 0.000 2.334 230 Y HA 0.250 4.799 4.550 -0.001 0.000 0.328 230 Y C 0.507 176.513 175.900 0.177 0.000 1.130 230 Y CA -0.661 57.534 58.100 0.158 0.000 1.163 230 Y CB 0.924 39.458 38.460 0.124 0.000 1.207 230 Y HN 0.232 nan 8.280 nan 0.000 0.471 231 L N 3.258 124.696 121.223 0.359 0.000 2.485 231 L HA 0.438 4.777 4.340 -0.001 0.000 0.275 231 L C 0.177 177.267 176.870 0.367 0.000 1.207 231 L CA 0.031 55.022 54.840 0.251 0.000 0.855 231 L CB 0.177 42.247 42.059 0.017 0.000 1.114 231 L HN 0.795 nan 8.230 nan 0.000 0.485 232 A N 4.388 127.374 122.820 0.276 0.000 2.612 232 A HA 0.756 5.076 4.320 -0.001 0.000 0.293 232 A C -2.803 174.899 177.584 0.196 0.000 1.075 232 A CA -1.363 50.834 52.037 0.267 0.000 0.680 232 A CB 1.667 20.753 19.000 0.144 0.000 1.279 232 A HN 0.400 nan 8.150 nan 0.000 0.411 233 P HA 0.351 nan 4.420 nan 0.000 0.271 233 P C -0.434 176.903 177.300 0.061 0.000 1.216 233 P CA 0.153 63.317 63.100 0.107 0.000 0.776 233 P CB 1.240 32.988 31.700 0.080 0.000 0.881 234 S N 2.184 117.914 115.700 0.050 0.000 2.536 234 S HA 0.737 5.207 4.470 -0.001 0.000 0.287 234 S C -0.117 174.499 174.600 0.027 0.000 1.101 234 S CA 0.318 58.540 58.200 0.037 0.000 0.950 234 S CB 0.495 63.720 63.200 0.042 0.000 1.056 234 S HN 0.880 nan 8.310 nan 0.000 0.481 235 G N 5.003 113.816 108.800 0.021 0.000 2.796 235 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.226 235 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.226 235 G C -1.941 172.970 174.900 0.017 0.000 1.381 235 G CA -0.171 44.940 45.100 0.018 0.000 0.867 235 G HN 0.597 nan 8.290 nan 0.000 0.552 236 P HA -0.034 nan 4.420 nan 0.000 0.218 236 P C 1.898 179.213 177.300 0.025 0.000 1.149 236 P CA 2.395 65.506 63.100 0.018 0.000 0.817 236 P CB -0.217 31.494 31.700 0.017 0.000 0.785 237 S N -1.771 113.945 115.700 0.027 0.000 2.558 237 S HA 0.285 4.755 4.470 -0.001 0.000 0.217 237 S C 1.565 176.189 174.600 0.040 0.000 0.975 237 S CA 0.447 58.669 58.200 0.038 0.000 0.912 237 S CB -1.236 61.983 63.200 0.031 0.000 0.776 237 S HN 0.311 nan 8.310 nan 0.000 0.526 238 G N 1.312 110.132 108.800 0.032 0.000 2.160 238 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.244 238 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.244 238 G C 0.060 174.982 174.900 0.038 0.000 1.022 238 G CA 0.048 45.172 45.100 0.039 0.000 0.741 238 G HN 0.620 nan 8.290 nan 0.000 0.508 239 T N 0.489 115.056 114.554 0.021 0.000 2.765 239 T HA 0.158 4.507 4.350 -0.001 0.000 0.275 239 T C 0.646 175.359 174.700 0.021 0.000 1.007 239 T CA 0.462 62.566 62.100 0.007 0.000 1.175 239 T CB 0.979 69.853 68.868 0.010 0.000 0.993 239 T HN 0.693 nan 8.240 nan 0.000 0.510 240 L N 5.703 126.925 121.223 -0.003 0.000 2.315 240 L HA 0.484 4.824 4.340 -0.001 0.000 0.283 240 L C 0.124 176.996 176.870 0.004 0.000 1.089 240 L CA 0.340 55.178 54.840 -0.003 0.000 0.833 240 L CB -0.287 41.715 42.059 -0.096 0.000 1.170 240 L HN 0.796 nan 8.230 nan 0.000 0.442 241 K N 4.003 124.434 120.400 0.052 0.000 2.615 241 K HA 0.848 5.167 4.320 -0.001 0.000 0.291 241 K C -1.365 175.308 176.600 0.122 0.000 1.017 241 K CA -0.768 55.572 56.287 0.088 0.000 0.882 241 K CB 0.699 33.249 32.500 0.083 0.000 1.522 241 K HN 0.482 nan 8.250 nan 0.000 0.412 242 A N 0.337 123.249 122.820 0.153 0.000 2.477 242 A HA 0.565 4.885 4.320 -0.001 0.000 0.246 242 A C 0.627 178.273 177.584 0.103 0.000 1.078 242 A CA 0.782 52.901 52.037 0.137 0.000 0.770 242 A CB -0.812 18.236 19.000 0.080 0.000 1.011 242 A HN 1.564 nan 8.150 nan 0.000 0.494 243 G N 1.883 110.755 108.800 0.119 0.000 3.393 243 G HA2 0.002 3.962 3.960 -0.001 0.000 0.676 243 G HA3 0.002 3.962 3.960 -0.001 0.000 0.676 243 G C -0.639 174.323 174.900 0.103 0.000 1.224 243 G CA -0.593 44.566 45.100 0.097 0.000 1.109 243 G HN 0.863 nan 8.290 nan 0.000 0.519 244 K N 1.198 121.664 120.400 0.111 0.000 2.295 244 K HA 0.552 4.871 4.320 -0.001 0.000 0.270 244 K C 1.669 178.295 176.600 0.044 0.000 1.011 244 K CA 0.229 56.562 56.287 0.075 0.000 0.953 244 K CB 1.228 33.767 32.500 0.064 0.000 0.956 244 K HN 0.788 nan 8.250 nan 0.000 0.477 245 A N 1.946 124.780 122.820 0.024 0.000 1.897 245 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 245 A C 0.971 178.559 177.584 0.006 0.000 1.181 245 A CA 1.777 53.822 52.037 0.013 0.000 0.620 245 A CB -0.293 18.709 19.000 0.003 0.000 0.821 245 A HN 0.812 nan 8.150 nan 0.000 0.443 246 T N -5.090 109.462 114.554 -0.003 0.000 2.865 246 T HA 0.497 4.846 4.350 -0.001 0.000 0.294 246 T C 0.390 175.084 174.700 -0.010 0.000 1.119 246 T CA -0.070 62.026 62.100 -0.006 0.000 1.007 246 T CB 1.854 70.714 68.868 -0.014 0.000 1.225 246 T HN 0.097 nan 8.240 nan 0.000 0.515 247 K N 0.233 120.628 120.400 -0.009 0.000 2.032 247 K HA -0.107 4.212 4.320 -0.001 0.000 0.209 247 K C 1.990 178.568 176.600 -0.037 0.000 1.048 247 K CA 2.390 58.668 56.287 -0.016 0.000 0.927 247 K CB -0.759 31.735 32.500 -0.010 0.000 0.712 247 K HN 0.582 nan 8.250 nan 0.000 0.441 248 V N -1.781 118.112 119.914 -0.036 0.000 2.500 248 V HA 0.248 4.368 4.120 -0.001 0.000 0.243 248 V C 1.422 177.483 176.094 -0.056 0.000 1.039 248 V CA 0.491 62.766 62.300 -0.043 0.000 1.053 248 V CB -1.323 30.480 31.823 -0.033 0.000 0.695 248 V HN 0.251 nan 8.190 nan 0.000 0.463 249 G N 0.696 109.464 108.800 -0.054 0.000 2.614 249 G HA2 0.259 4.219 3.960 -0.001 0.000 0.239 249 G HA3 0.259 4.219 3.960 -0.001 0.000 0.239 249 G C 0.257 175.102 174.900 -0.092 0.000 1.240 249 G CA -0.340 44.719 45.100 -0.068 0.000 0.842 249 G HN 0.306 nan 8.290 nan 0.000 0.584 250 K N 0.916 121.249 120.400 -0.112 0.000 2.965 250 K HA 0.062 4.382 4.320 -0.001 0.000 0.216 250 K C 1.015 177.498 176.600 -0.195 0.000 1.164 250 K CA -0.143 56.055 56.287 -0.148 0.000 1.153 250 K CB 0.697 33.115 32.500 -0.136 0.000 1.045 250 K HN 0.717 nan 8.250 nan 0.000 0.460 251 D N 0.937 121.238 120.400 -0.166 0.000 2.309 251 D HA -0.201 4.439 4.640 -0.001 0.000 0.212 251 D C 1.072 177.231 176.300 -0.234 0.000 0.968 251 D CA 0.823 54.708 54.000 -0.192 0.000 0.882 251 D CB 0.261 41.000 40.800 -0.102 0.000 0.918 251 D HN 0.332 nan 8.370 nan 0.000 0.503 252 E N 0.831 120.926 120.200 -0.177 0.000 2.489 252 E HA -0.007 4.342 4.350 -0.001 0.000 0.193 252 E C 0.531 177.040 176.600 -0.152 0.000 1.057 252 E CA -0.176 56.189 56.400 -0.059 0.000 0.866 252 E CB -0.165 29.500 29.700 -0.060 0.000 0.916 252 E HN 0.329 nan 8.360 nan 0.000 0.500 253 L N 1.108 122.104 121.223 -0.379 0.000 2.307 253 L HA 0.437 4.776 4.340 -0.001 0.000 0.282 253 L C -0.610 175.916 176.870 -0.573 0.000 1.051 253 L CA -0.646 54.014 54.840 -0.301 0.000 0.804 253 L CB 0.616 42.558 42.059 -0.196 0.000 1.197 253 L HN -0.109 nan 8.230 nan 0.000 0.431 254 F N 0.932 120.914 119.950 0.052 0.000 2.578 254 F HA 0.606 5.132 4.527 -0.001 0.000 0.311 254 F C 0.267 176.150 175.800 0.138 0.000 1.094 254 F CA -0.732 57.338 58.000 0.116 0.000 0.923 254 F CB 1.824 40.958 39.000 0.223 0.000 1.230 254 F HN 0.404 nan 8.300 nan 0.000 0.450 255 A N 3.674 126.703 122.820 0.348 0.000 2.331 255 A HA 0.749 5.068 4.320 -0.001 0.000 0.283 255 A C -0.806 176.966 177.584 0.313 0.000 1.142 255 A CA -0.502 51.704 52.037 0.282 0.000 0.812 255 A CB 0.377 19.511 19.000 0.223 0.000 1.074 255 A HN 0.784 nan 8.150 nan 0.000 0.497 256 L N 2.367 123.748 121.223 0.264 0.000 2.289 256 L HA 0.437 4.777 4.340 -0.001 0.000 0.285 256 L C 0.136 177.125 176.870 0.199 0.000 1.049 256 L CA -0.113 54.880 54.840 0.253 0.000 0.804 256 L CB 1.161 43.373 42.059 0.255 0.000 1.195 256 L HN 0.774 nan 8.230 nan 0.000 0.428 257 E N 1.756 122.077 120.200 0.201 0.000 2.256 257 E HA 0.301 4.650 4.350 -0.001 0.000 0.267 257 E C -1.146 175.520 176.600 0.109 0.000 0.892 257 E CA -1.033 55.458 56.400 0.152 0.000 0.775 257 E CB 2.513 32.329 29.700 0.193 0.000 1.207 257 E HN 0.348 nan 8.360 nan 0.000 0.420 258 Q N 1.135 120.970 119.800 0.057 0.000 2.364 258 Q HA 0.075 4.415 4.340 -0.001 0.000 0.267 258 Q C -0.782 175.208 176.000 -0.016 0.000 0.999 258 Q CA 0.230 56.033 55.803 0.001 0.000 0.886 258 Q CB 1.024 29.742 28.738 -0.033 0.000 1.243 258 Q HN 0.371 nan 8.270 nan 0.000 0.415 259 S N 3.966 119.635 115.700 -0.051 0.000 2.420 259 S HA 0.333 4.802 4.470 -0.001 0.000 0.313 259 S C -0.492 174.062 174.600 -0.076 0.000 1.079 259 S CA -0.858 57.310 58.200 -0.054 0.000 1.104 259 S CB -0.193 62.992 63.200 -0.025 0.000 0.969 259 S HN 0.782 nan 8.310 nan 0.000 0.471 260 C N 5.098 124.350 119.300 -0.079 0.000 2.656 260 C HA 0.718 5.178 4.460 -0.001 0.000 0.391 260 C C 1.209 176.188 174.990 -0.017 0.000 1.300 260 C CA -0.327 58.660 59.018 -0.051 0.000 2.302 260 C CB -0.688 27.004 27.740 -0.081 0.000 2.655 260 C HN 1.006 nan 8.230 nan 0.000 0.656 261 A N 4.385 127.243 122.820 0.064 0.000 2.511 261 A HA 0.378 4.697 4.320 -0.001 0.000 0.242 261 A C -0.168 177.271 177.584 -0.242 0.000 1.069 261 A CA 0.375 52.335 52.037 -0.129 0.000 0.763 261 A CB 0.080 18.792 19.000 -0.480 0.000 1.001 261 A HN 0.927 nan 8.150 nan 0.000 0.498 262 Q N 0.340 119.980 119.800 -0.266 0.000 2.353 262 Q HA 0.590 4.930 4.340 -0.001 0.000 0.268 262 Q C -0.767 175.107 176.000 -0.209 0.000 1.045 262 Q CA -0.819 54.796 55.803 -0.313 0.000 0.811 262 Q CB 2.414 30.846 28.738 -0.510 0.000 1.305 262 Q HN 0.816 nan 8.270 nan 0.000 0.447 263 V N -1.199 118.642 119.914 -0.123 0.000 3.040 263 V HA 0.775 4.894 4.120 -0.001 0.000 0.312 263 V C -0.741 175.357 176.094 0.007 0.000 1.115 263 V CA -0.836 61.438 62.300 -0.043 0.000 0.998 263 V CB 1.966 33.807 31.823 0.031 0.000 1.042 263 V HN 0.492 nan 8.190 nan 0.000 0.433 264 V N 3.140 123.053 119.914 -0.001 0.000 2.581 264 V HA 0.601 4.720 4.120 -0.001 0.000 0.303 264 V C -0.386 175.774 176.094 0.110 0.000 1.041 264 V CA -0.506 61.825 62.300 0.052 0.000 0.907 264 V CB 1.618 33.429 31.823 -0.020 0.000 0.994 264 V HN 0.803 nan 8.190 nan 0.000 0.442 265 L N 4.158 125.503 121.223 0.203 0.000 2.356 265 L HA 0.593 4.933 4.340 -0.001 0.000 0.277 265 L C -0.365 176.672 176.870 0.279 0.000 0.996 265 L CA -0.182 54.786 54.840 0.214 0.000 0.822 265 L CB 1.767 43.893 42.059 0.112 0.000 1.256 265 L HN 0.626 nan 8.230 nan 0.000 0.413 266 Q N 2.470 122.439 119.800 0.281 0.000 2.333 266 Q HA 0.726 5.065 4.340 -0.001 0.000 0.265 266 Q C -0.670 175.427 176.000 0.162 0.000 0.989 266 Q CA -0.537 55.388 55.803 0.203 0.000 0.842 266 Q CB 2.075 30.895 28.738 0.138 0.000 1.262 266 Q HN 0.775 nan 8.270 nan 0.000 0.451 267 A N 2.486 125.337 122.820 0.053 0.000 2.249 267 A HA 0.606 4.926 4.320 -0.001 0.000 0.281 267 A C 0.861 178.294 177.584 -0.251 0.000 1.127 267 A CA 0.364 52.215 52.037 -0.310 0.000 0.833 267 A CB 0.104 18.973 19.000 -0.218 0.000 1.140 267 A HN 0.976 nan 8.150 nan 0.000 0.502 268 A N 0.049 122.662 122.820 -0.344 0.000 2.121 268 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 268 A C 1.426 178.940 177.584 -0.116 0.000 1.154 268 A CA 1.689 53.604 52.037 -0.203 0.000 0.679 268 A CB -0.821 18.052 19.000 -0.211 0.000 0.795 268 A HN 0.936 nan 8.150 nan 0.000 0.458 269 N N -0.558 118.081 118.700 -0.101 0.000 2.449 269 N HA -0.022 4.717 4.740 -0.001 0.000 0.191 269 N C 0.026 175.517 175.510 -0.032 0.000 1.161 269 N CA 0.823 53.839 53.050 -0.056 0.000 0.863 269 N CB -0.470 37.990 38.487 -0.045 0.000 0.980 269 N HN 0.583 nan 8.380 nan 0.000 0.458 270 E N -1.326 118.856 120.200 -0.030 0.000 3.070 270 E HA -0.192 4.158 4.350 -0.001 0.000 0.285 270 E C -0.771 175.838 176.600 0.016 0.000 0.972 270 E CA 0.484 56.883 56.400 -0.002 0.000 0.915 270 E CB -0.604 29.096 29.700 -0.001 0.000 1.466 270 E HN 0.417 nan 8.360 nan 0.000 0.432 271 R N 0.679 121.190 120.500 0.018 0.000 2.711 271 R HA 0.386 4.725 4.340 -0.001 0.000 0.284 271 R C 0.006 176.345 176.300 0.065 0.000 0.968 271 R CA -0.937 55.184 56.100 0.034 0.000 0.924 271 R CB 0.845 31.159 30.300 0.023 0.000 1.162 271 R HN -0.020 nan 8.270 nan 0.000 0.465 272 N N 0.556 119.301 118.700 0.075 0.000 2.530 272 N HA 0.099 4.838 4.740 -0.001 0.000 0.273 272 N C -0.147 175.446 175.510 0.138 0.000 1.173 272 N CA -0.282 52.838 53.050 0.115 0.000 0.967 272 N CB 0.930 39.472 38.487 0.092 0.000 1.109 272 N HN 0.184 nan 8.380 nan 0.000 0.453 273 V N 1.046 121.088 119.914 0.214 0.000 2.585 273 V HA 0.136 4.256 4.120 -0.001 0.000 0.296 273 V C 0.788 177.054 176.094 0.286 0.000 1.035 273 V CA 0.300 62.722 62.300 0.204 0.000 1.084 273 V CB 0.825 32.757 31.823 0.182 0.000 0.953 273 V HN 0.681 nan 8.190 nan 0.000 0.483 274 S N 2.287 118.093 115.700 0.177 0.000 2.570 274 S HA 0.505 4.975 4.470 -0.001 0.000 0.286 274 S C 0.609 175.301 174.600 0.152 0.000 1.099 274 S CA 0.024 58.328 58.200 0.174 0.000 0.913 274 S CB 2.068 65.313 63.200 0.075 0.000 1.085 274 S HN 0.956 nan 8.310 nan 0.000 0.480 275 T N 0.969 115.629 114.554 0.178 0.000 3.122 275 T HA 0.268 4.618 4.350 -0.001 0.000 0.250 275 T C 1.305 176.049 174.700 0.074 0.000 1.067 275 T CA -0.201 61.980 62.100 0.136 0.000 0.966 275 T CB -0.151 68.848 68.868 0.218 0.000 1.002 275 T HN 0.567 nan 8.240 nan 0.000 0.542 276 R N 1.054 121.585 120.500 0.051 0.000 2.115 276 R HA 0.053 4.393 4.340 -0.001 0.000 0.230 276 R C 0.898 177.209 176.300 0.019 0.000 1.111 276 R CA 0.896 57.015 56.100 0.032 0.000 0.976 276 R CB -0.155 30.157 30.300 0.019 0.000 0.870 276 R HN 0.537 nan 8.270 nan 0.000 0.445 277 Q N 0.644 120.451 119.800 0.011 0.000 2.678 277 Q HA 0.196 4.535 4.340 -0.001 0.000 0.222 277 Q C 0.403 176.401 176.000 -0.003 0.000 1.281 277 Q CA 0.031 55.834 55.803 0.001 0.000 0.994 277 Q CB 1.111 29.845 28.738 -0.006 0.000 1.452 277 Q HN 0.402 nan 8.270 nan 0.000 0.570 278 G N 1.881 110.681 108.800 -0.000 0.000 2.556 278 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.283 278 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.283 278 G C 0.472 175.370 174.900 -0.004 0.000 1.177 278 G CA 0.153 45.250 45.100 -0.004 0.000 0.978 278 G HN 0.600 nan 8.290 nan 0.000 0.554 279 M N 1.370 120.964 119.600 -0.009 0.000 2.453 279 M HA 0.208 4.687 4.480 -0.001 0.000 0.239 279 M C -0.085 176.195 176.300 -0.034 0.000 1.151 279 M CA -0.149 55.144 55.300 -0.011 0.000 0.989 279 M CB 0.027 32.624 32.600 -0.005 0.000 1.548 279 M HN 0.330 nan 8.290 nan 0.000 0.479 280 D N 0.989 121.365 120.400 -0.040 0.000 2.344 280 D HA 0.377 5.017 4.640 -0.001 0.000 0.244 280 D C -0.580 175.652 176.300 -0.113 0.000 1.134 280 D CA 0.317 54.274 54.000 -0.071 0.000 0.930 280 D CB 1.147 41.916 40.800 -0.052 0.000 1.175 280 D HN 0.123 nan 8.370 nan 0.000 0.437 281 L N 1.108 122.214 121.223 -0.195 0.000 2.349 281 L HA 0.422 4.761 4.340 -0.001 0.000 0.278 281 L C -0.366 176.370 176.870 -0.223 0.000 0.996 281 L CA -0.431 54.228 54.840 -0.302 0.000 0.825 281 L CB 1.684 43.339 42.059 -0.674 0.000 1.243 281 L HN 0.192 nan 8.230 nan 0.000 0.412 282 S N 2.314 117.936 115.700 -0.129 0.000 2.548 282 S HA 0.730 5.200 4.470 -0.001 0.000 0.276 282 S C -0.587 174.002 174.600 -0.018 0.000 1.129 282 S CA -0.470 57.689 58.200 -0.069 0.000 0.931 282 S CB 1.819 64.994 63.200 -0.041 0.000 1.068 282 S HN 0.611 nan 8.310 nan 0.000 0.480 283 A N 4.144 126.968 122.820 0.006 0.000 2.922 283 A HA 0.420 4.740 4.320 -0.001 0.000 0.298 283 A C 0.531 178.130 177.584 0.024 0.000 1.588 283 A CA -0.425 51.638 52.037 0.043 0.000 1.288 283 A CB -0.921 18.119 19.000 0.066 0.000 1.130 283 A HN 0.850 nan 8.150 nan 0.000 0.557 284 N N 0.269 118.984 118.700 0.025 0.000 2.142 284 N HA 0.059 4.798 4.740 -0.001 0.000 0.233 284 N C -0.511 175.010 175.510 0.019 0.000 1.335 284 N CA -0.159 52.900 53.050 0.016 0.000 0.837 284 N CB 0.314 38.805 38.487 0.007 0.000 1.238 284 N HN 0.352 nan 8.380 nan 0.000 0.501 285 Q N 0.858 120.676 119.800 0.029 0.000 2.306 285 Q HA 0.281 4.620 4.340 -0.001 0.000 0.265 285 Q C -0.754 175.261 176.000 0.025 0.000 1.022 285 Q CA -0.198 55.620 55.803 0.025 0.000 0.853 285 Q CB 2.020 30.774 28.738 0.026 0.000 1.327 285 Q HN 0.372 nan 8.270 nan 0.000 0.449 286 D N -0.585 119.825 120.400 0.017 0.000 2.559 286 D HA 0.169 4.809 4.640 -0.001 0.000 0.234 286 D C -0.237 176.070 176.300 0.012 0.000 1.226 286 D CA -0.064 53.947 54.000 0.017 0.000 0.830 286 D CB 0.590 41.398 40.800 0.014 0.000 1.028 286 D HN 0.273 nan 8.370 nan 0.000 0.492 287 E N 0.058 120.263 120.200 0.008 0.000 2.378 287 E HA 0.401 4.751 4.350 -0.001 0.000 0.265 287 E C -0.523 176.071 176.600 -0.011 0.000 0.932 287 E CA -0.788 55.611 56.400 -0.002 0.000 0.795 287 E CB 1.811 31.506 29.700 -0.008 0.000 1.296 287 E HN 0.031 nan 8.360 nan 0.000 0.438 288 E N 1.412 121.598 120.200 -0.023 0.000 3.896 288 E HA 0.115 4.465 4.350 -0.001 0.000 0.217 288 E C -0.464 176.101 176.600 -0.060 0.000 1.150 288 E CA -0.124 56.251 56.400 -0.042 0.000 1.338 288 E CB 0.932 30.609 29.700 -0.039 0.000 1.242 288 E HN 0.498 nan 8.360 nan 0.000 0.435 289 T N -2.590 111.921 114.554 -0.072 0.000 2.771 289 T HA 0.084 4.433 4.350 -0.001 0.000 0.290 289 T C 1.000 175.613 174.700 -0.146 0.000 1.005 289 T CA -0.497 61.549 62.100 -0.090 0.000 0.944 289 T CB 0.981 69.796 68.868 -0.088 0.000 1.147 289 T HN -0.161 nan 8.240 nan 0.000 0.534 290 D N 0.078 120.368 120.400 -0.183 0.000 2.221 290 D HA -0.098 4.542 4.640 -0.001 0.000 0.204 290 D C 2.146 178.087 176.300 -0.599 0.000 0.982 290 D CA 1.328 55.157 54.000 -0.284 0.000 0.857 290 D CB -0.209 40.286 40.800 -0.508 0.000 0.934 290 D HN 0.658 nan 8.370 nan 0.000 0.475 291 Q N -0.263 119.230 119.800 -0.512 0.000 2.436 291 Q HA -0.062 4.278 4.340 -0.001 0.000 0.209 291 Q C 0.740 176.589 176.000 -0.252 0.000 0.965 291 Q CA 0.713 56.306 55.803 -0.351 0.000 0.910 291 Q CB 0.217 28.870 28.738 -0.142 0.000 0.980 291 Q HN 0.183 nan 8.270 nan 0.000 0.491 292 E N -0.572 119.454 120.200 -0.290 0.000 2.548 292 E HA 0.109 4.459 4.350 -0.001 0.000 0.206 292 E C -0.743 175.530 176.600 -0.544 0.000 1.005 292 E CA 0.127 56.360 56.400 -0.279 0.000 0.951 292 E CB 1.262 30.914 29.700 -0.080 0.000 1.035 292 E HN -0.050 nan 8.360 nan 0.000 0.470 293 T N 0.604 114.761 114.554 -0.661 0.000 2.797 293 T HA 0.560 4.909 4.350 -0.001 0.000 0.279 293 T C -0.809 173.563 174.700 -0.546 0.000 0.991 293 T CA -0.480 61.344 62.100 -0.459 0.000 0.979 293 T CB 0.532 69.304 68.868 -0.159 0.000 0.943 293 T HN -0.121 nan 8.240 nan 0.000 0.444 294 F N 1.431 121.465 119.950 0.141 0.000 2.551 294 F HA 0.488 5.015 4.527 -0.001 0.000 0.316 294 F C 0.374 176.159 175.800 -0.024 0.000 1.089 294 F CA -1.209 56.909 58.000 0.197 0.000 0.915 294 F CB 1.942 41.021 39.000 0.132 0.000 1.186 294 F HN 0.367 nan 8.300 nan 0.000 0.456 295 Q N 2.515 122.407 119.800 0.154 0.000 2.296 295 Q HA 0.459 4.799 4.340 -0.001 0.000 0.257 295 Q C -1.215 174.776 176.000 -0.014 0.000 0.942 295 Q CA -0.933 54.808 55.803 -0.104 0.000 0.939 295 Q CB 1.231 29.859 28.738 -0.184 0.000 1.198 295 Q HN 0.694 nan 8.270 nan 0.000 0.429 296 L N 4.693 125.856 121.223 -0.099 0.000 2.313 296 L HA 0.237 4.576 4.340 -0.001 0.000 0.282 296 L C -1.020 175.754 176.870 -0.160 0.000 1.092 296 L CA 0.754 55.473 54.840 -0.202 0.000 0.831 296 L CB 0.742 42.676 42.059 -0.208 0.000 1.159 296 L HN 0.667 nan 8.230 nan 0.000 0.442 297 E N 6.645 126.732 120.200 -0.188 0.000 2.331 297 E HA 0.312 4.662 4.350 -0.001 0.000 0.243 297 E C -0.966 175.603 176.600 -0.052 0.000 0.925 297 E CA -0.217 56.144 56.400 -0.065 0.000 0.760 297 E CB 1.262 30.981 29.700 0.032 0.000 1.254 297 E HN 0.554 nan 8.360 nan 0.000 0.419 298 I N 2.905 123.471 120.570 -0.007 0.000 2.301 298 I HA 0.136 4.306 4.170 -0.001 0.000 0.292 298 I C 0.143 176.277 176.117 0.029 0.000 1.046 298 I CA -0.216 61.111 61.300 0.045 0.000 1.282 298 I CB 0.645 38.713 38.000 0.113 0.000 1.409 298 I HN 0.360 nan 8.210 nan 0.000 0.484 305 C N -0.011 119.370 119.300 0.135 0.000 2.391 305 C HA 0.977 5.437 4.460 -0.001 0.000 0.339 305 C C 0.014 174.938 174.990 -0.109 0.000 1.205 305 C CA -0.339 58.651 59.018 -0.047 0.000 1.937 305 C CB 0.523 28.102 27.740 -0.267 0.000 2.341 305 C HN 0.789 nan 8.230 nan 0.000 0.516 306 A N 1.815 124.428 122.820 -0.344 0.000 2.423 306 A HA 0.919 5.239 4.320 -0.001 0.000 0.304 306 A C -1.359 175.888 177.584 -0.561 0.000 1.104 306 A CA -0.504 51.328 52.037 -0.341 0.000 0.757 306 A CB 0.923 19.677 19.000 -0.409 0.000 1.313 306 A HN 0.853 nan 8.150 nan 0.000 0.423 307 F N 0.729 120.610 119.950 -0.115 0.000 2.460 307 F HA 0.534 5.060 4.527 -0.001 0.000 0.341 307 F C 0.525 176.267 175.800 -0.097 0.000 1.130 307 F CA -0.270 57.520 58.000 -0.351 0.000 0.962 307 F CB 1.838 40.036 39.000 -1.335 0.000 1.171 307 F HN 0.637 nan 8.300 nan 0.000 0.436 308 R N 1.539 122.090 120.500 0.085 0.000 2.404 308 R HA 0.546 4.885 4.340 -0.001 0.000 0.291 308 R C 0.081 176.583 176.300 0.337 0.000 1.025 308 R CA -0.297 55.685 56.100 -0.197 0.000 0.991 308 R CB 1.182 31.371 30.300 -0.185 0.000 1.053 308 R HN 0.794 nan 8.270 nan 0.000 0.479 309 T N -0.308 114.371 114.554 0.209 0.000 2.912 309 T HA 0.100 4.450 4.350 -0.001 0.000 0.280 309 T C 1.379 175.916 174.700 -0.272 0.000 0.989 309 T CA -0.599 61.691 62.100 0.318 0.000 0.995 309 T CB 1.000 70.046 68.868 0.298 0.000 1.077 309 T HN 0.838 nan 8.240 nan 0.000 0.531 310 H N -0.269 118.285 119.070 -0.859 0.000 2.546 310 H HA 0.010 4.566 4.556 -0.001 0.000 0.277 310 H C 1.368 176.219 175.328 -0.796 0.000 1.004 310 H CA 1.454 56.495 56.048 -1.679 0.000 1.231 310 H CB -1.146 27.534 29.762 -1.804 0.000 1.382 310 H HN 0.762 nan 8.280 nan 0.000 0.580 311 T N -3.792 110.312 114.554 -0.750 0.000 3.107 311 T HA 0.336 4.685 4.350 -0.001 0.000 0.249 311 T C 1.507 176.031 174.700 -0.295 0.000 1.096 311 T CA 0.244 62.025 62.100 -0.531 0.000 1.012 311 T CB -0.348 68.257 68.868 -0.439 0.000 0.977 311 T HN 0.590 nan 8.240 nan 0.000 0.527 312 G N 1.566 110.198 108.800 -0.281 0.000 2.149 312 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.235 312 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.235 312 G C -0.051 174.775 174.900 -0.123 0.000 1.018 312 G CA -0.095 44.903 45.100 -0.171 0.000 0.728 312 G HN 0.574 nan 8.290 nan 0.000 0.508 313 K N -1.017 119.307 120.400 -0.127 0.000 2.210 313 K HA 0.725 5.045 4.320 -0.001 0.000 0.236 313 K C -0.630 175.892 176.600 -0.129 0.000 1.016 313 K CA -0.680 55.594 56.287 -0.022 0.000 0.913 313 K CB 1.179 33.701 32.500 0.036 0.000 1.141 313 K HN 0.146 nan 8.250 nan 0.000 0.462 314 Y N -0.810 119.586 120.300 0.160 0.000 2.485 314 Y HA 0.225 4.775 4.550 -0.001 0.000 0.345 314 Y C -0.293 175.804 175.900 0.328 0.000 0.998 314 Y CA -0.798 57.437 58.100 0.224 0.000 1.059 314 Y CB 1.074 39.599 38.460 0.109 0.000 1.234 314 Y HN 0.415 nan 8.280 nan 0.000 0.461 315 W N 1.888 123.330 121.300 0.237 0.000 2.257 315 W HA 0.308 4.967 4.660 -0.000 0.000 0.337 315 W C -0.308 176.396 176.519 0.307 0.000 1.321 315 W CA -0.251 57.205 57.345 0.184 0.000 1.267 315 W CB 0.110 29.631 29.460 0.102 0.000 1.187 315 W HN 0.249 nan 8.180 nan 0.000 0.565 316 T N 4.100 118.899 114.554 0.408 0.000 2.971 316 T HA 0.310 4.660 4.350 -0.001 0.000 0.304 316 T C -0.952 173.871 174.700 0.205 0.000 1.038 316 T CA -0.896 61.359 62.100 0.257 0.000 1.007 316 T CB 1.606 70.563 68.868 0.149 0.000 1.055 316 T HN 0.210 nan 8.240 nan 0.000 0.451 317 L N 4.345 125.649 121.223 0.134 0.000 2.455 317 L HA 0.460 4.799 4.340 -0.001 0.000 0.272 317 L C 0.797 177.695 176.870 0.047 0.000 1.174 317 L CA 0.513 55.405 54.840 0.086 0.000 0.869 317 L CB 0.286 42.350 42.059 0.008 0.000 1.130 317 L HN 0.902 nan 8.230 nan 0.000 0.474 318 T N 1.768 116.347 114.554 0.042 0.000 2.897 318 T HA 0.609 4.959 4.350 -0.001 0.000 0.278 318 T C 1.219 175.929 174.700 0.017 0.000 0.981 318 T CA -0.291 61.824 62.100 0.025 0.000 0.973 318 T CB 1.194 70.073 68.868 0.018 0.000 1.092 318 T HN 0.726 nan 8.240 nan 0.000 0.543 319 A N 0.750 123.577 122.820 0.012 0.000 2.032 319 A HA -0.036 4.284 4.320 -0.001 0.000 0.221 319 A C 2.243 179.833 177.584 0.009 0.000 1.165 319 A CA 2.070 54.112 52.037 0.008 0.000 0.645 319 A CB -1.551 17.452 19.000 0.006 0.000 0.807 319 A HN 1.130 nan 8.150 nan 0.000 0.453 320 T N -4.818 109.742 114.554 0.011 0.000 3.163 320 T HA 0.434 4.783 4.350 -0.001 0.000 0.252 320 T C 1.223 175.934 174.700 0.018 0.000 1.056 320 T CA 0.944 63.052 62.100 0.012 0.000 0.947 320 T CB 0.025 68.899 68.868 0.010 0.000 1.016 320 T HN 1.706 nan 8.240 nan 0.000 0.554 321 G N 0.458 109.272 108.800 0.023 0.000 2.148 321 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.254 321 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.254 321 G C 0.460 175.384 174.900 0.041 0.000 0.981 321 G CA -0.221 44.900 45.100 0.035 0.000 0.670 321 G HN 1.041 nan 8.290 nan 0.000 0.528 322 G N -1.371 107.446 108.800 0.027 0.000 2.599 322 G HA2 0.616 4.576 3.960 -0.001 0.000 0.264 322 G HA3 0.616 4.576 3.960 -0.001 0.000 0.264 322 G C -0.215 174.698 174.900 0.021 0.000 1.200 322 G CA 0.108 45.217 45.100 0.014 0.000 0.896 322 G HN 1.000 nan 8.290 nan 0.000 0.536 323 V N 1.068 120.969 119.914 -0.022 0.000 2.409 323 V HA 0.436 4.556 4.120 -0.001 0.000 0.291 323 V C -0.070 175.937 176.094 -0.144 0.000 1.020 323 V CA -0.482 61.793 62.300 -0.042 0.000 0.848 323 V CB 0.919 32.690 31.823 -0.088 0.000 0.990 323 V HN 0.803 nan 8.190 nan 0.000 0.430 324 Q N 1.781 121.534 119.800 -0.079 0.000 2.484 324 Q HA 0.470 4.810 4.340 -0.001 0.000 0.285 324 Q C -0.104 175.867 176.000 -0.049 0.000 1.097 324 Q CA -0.695 55.051 55.803 -0.094 0.000 0.802 324 Q CB 2.503 31.219 28.738 -0.036 0.000 1.444 324 Q HN 0.772 nan 8.270 nan 0.000 0.429 325 S N -1.224 114.452 115.700 -0.040 0.000 2.704 325 S HA 0.059 4.528 4.470 -0.001 0.000 0.241 325 S C 0.863 175.503 174.600 0.066 0.000 1.264 325 S CA -0.026 58.200 58.200 0.043 0.000 1.236 325 S CB -0.474 62.756 63.200 0.051 0.000 0.928 325 S HN 0.724 nan 8.310 nan 0.000 0.492 326 T N -0.647 113.950 114.554 0.071 0.000 2.901 326 T HA 0.359 4.709 4.350 -0.001 0.000 0.252 326 T C 1.039 175.792 174.700 0.088 0.000 1.035 326 T CA 0.444 62.581 62.100 0.061 0.000 1.142 326 T CB -0.664 68.232 68.868 0.046 0.000 0.869 326 T HN 0.686 nan 8.240 nan 0.000 0.442 327 A N 2.023 124.919 122.820 0.127 0.000 2.511 327 A HA 0.484 4.804 4.320 -0.001 0.000 0.242 327 A C 1.463 179.166 177.584 0.200 0.000 1.069 327 A CA 0.084 52.205 52.037 0.139 0.000 0.763 327 A CB 0.150 19.228 19.000 0.130 0.000 1.001 327 A HN 0.624 nan 8.150 nan 0.000 0.498 328 S N 0.795 116.588 115.700 0.157 0.000 2.524 328 S HA 0.306 4.776 4.470 -0.001 0.000 0.215 328 S C 0.583 175.319 174.600 0.228 0.000 0.986 328 S CA 0.376 58.683 58.200 0.178 0.000 0.911 328 S CB 0.068 63.323 63.200 0.091 0.000 0.805 328 S HN 0.552 nan 8.310 nan 0.000 0.501 329 S N 0.896 116.684 115.700 0.145 0.000 2.548 329 S HA 0.454 4.924 4.470 -0.001 0.000 0.286 329 S C -1.035 173.470 174.600 -0.159 0.000 1.098 329 S CA -0.859 57.356 58.200 0.025 0.000 0.930 329 S CB 1.454 64.661 63.200 0.012 0.000 1.070 329 S HN 0.266 nan 8.310 nan 0.000 0.480 330 K N 3.341 123.499 120.400 -0.403 0.000 2.383 330 K HA 0.201 4.520 4.320 -0.001 0.000 0.286 330 K C 0.299 176.811 176.600 -0.147 0.000 1.051 330 K CA -0.097 55.895 56.287 -0.492 0.000 0.974 330 K CB 0.110 32.224 32.500 -0.644 0.000 0.968 330 K HN 0.664 nan 8.250 nan 0.000 0.475 331 N N 1.052 119.697 118.700 -0.093 0.000 2.966 331 N HA 0.252 4.992 4.740 -0.001 0.000 0.314 331 N C 0.581 176.145 175.510 0.091 0.000 1.397 331 N CA -0.701 52.361 53.050 0.019 0.000 0.776 331 N CB 1.026 39.509 38.487 -0.007 0.000 1.576 331 N HN 0.279 nan 8.380 nan 0.000 0.592 332 A N 0.500 123.362 122.820 0.070 0.000 1.948 332 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 332 A C 2.085 179.680 177.584 0.019 0.000 1.177 332 A CA 2.508 54.587 52.037 0.069 0.000 0.636 332 A CB -1.178 17.818 19.000 -0.007 0.000 0.815 332 A HN 0.800 nan 8.150 nan 0.000 0.449 333 S N -1.939 113.737 115.700 -0.040 0.000 2.561 333 S HA -0.051 4.419 4.470 -0.001 0.000 0.225 333 S C 1.283 175.765 174.600 -0.196 0.000 0.977 333 S CA 0.865 59.000 58.200 -0.109 0.000 0.926 333 S CB -0.922 62.247 63.200 -0.052 0.000 0.769 333 S HN 0.531 nan 8.310 nan 0.000 0.533 334 C N 0.729 119.917 119.300 -0.188 0.000 2.697 334 C HA 0.449 4.909 4.460 -0.001 0.000 0.267 334 C C -0.113 174.601 174.990 -0.461 0.000 1.278 334 C CA -0.806 58.067 59.018 -0.242 0.000 1.708 334 C CB -1.850 25.692 27.740 -0.330 0.000 1.860 334 C HN 0.549 nan 8.230 nan 0.000 0.589 335 Y N -0.558 119.505 120.300 -0.395 0.000 2.429 335 Y HA 0.629 5.179 4.550 -0.001 0.000 0.342 335 Y C -0.164 175.395 175.900 -0.568 0.000 1.004 335 Y CA -0.813 57.107 58.100 -0.301 0.000 1.075 335 Y CB 0.816 39.163 38.460 -0.188 0.000 1.214 335 Y HN 0.029 nan 8.280 nan 0.000 0.455 336 F N 1.069 121.093 119.950 0.123 0.000 2.576 336 F HA 0.347 4.874 4.527 -0.001 0.000 0.313 336 F C -0.523 175.296 175.800 0.031 0.000 1.078 336 F CA -1.285 56.759 58.000 0.072 0.000 0.921 336 F CB 1.497 40.560 39.000 0.105 0.000 1.232 336 F HN 0.348 nan 8.300 nan 0.000 0.459 337 D N 3.146 123.642 120.400 0.160 0.000 2.295 337 D HA 0.330 4.969 4.640 -0.001 0.000 0.248 337 D C -0.118 176.221 176.300 0.066 0.000 1.154 337 D CA 0.208 54.257 54.000 0.080 0.000 0.857 337 D CB 1.501 42.318 40.800 0.029 0.000 1.117 337 D HN 0.313 nan 8.370 nan 0.000 0.468 338 I N 1.812 122.367 120.570 -0.025 0.000 2.331 338 I HA 0.094 4.264 4.170 -0.001 0.000 0.292 338 I C 0.729 176.675 176.117 -0.285 0.000 0.998 338 I CA -0.456 60.714 61.300 -0.217 0.000 1.267 338 I CB 1.207 38.883 38.000 -0.539 0.000 1.386 338 I HN 0.219 nan 8.210 nan 0.000 0.476 339 E N 6.527 126.612 120.200 -0.192 0.000 2.134 339 E HA 0.203 4.553 4.350 -0.001 0.000 0.278 339 E C -1.558 174.932 176.600 -0.183 0.000 0.959 339 E CA -0.719 55.624 56.400 -0.095 0.000 0.783 339 E CB 0.786 30.539 29.700 0.088 0.000 1.095 339 E HN 0.387 nan 8.360 nan 0.000 0.399 340 W N 5.138 126.534 121.300 0.161 0.000 2.481 340 W HA 0.250 4.910 4.660 -0.000 0.000 0.320 340 W C 0.465 177.036 176.519 0.085 0.000 1.209 340 W CA -0.725 56.712 57.345 0.154 0.000 1.400 340 W CB 0.711 30.276 29.460 0.176 0.000 1.361 340 W HN 0.267 nan 8.180 nan 0.000 0.456 341 R N 3.809 124.438 120.500 0.215 0.000 3.335 341 R HA 0.059 4.399 4.340 -0.001 0.000 0.337 341 R C 0.084 176.364 176.300 -0.034 0.000 1.283 341 R CA -0.184 55.964 56.100 0.080 0.000 1.246 341 R CB -0.223 30.107 30.300 0.051 0.000 1.464 341 R HN 0.579 nan 8.270 nan 0.000 0.607 342 D N 1.387 121.699 120.400 -0.147 0.000 4.187 342 D HA -0.344 4.296 4.640 -0.001 0.000 0.202 342 D C 1.214 177.379 176.300 -0.225 0.000 0.687 342 D CA 1.824 55.450 54.000 -0.625 0.000 1.000 342 D CB -0.288 39.869 40.800 -1.071 0.000 0.446 342 D HN 0.308 nan 8.370 nan 0.000 0.398 343 R N 1.154 121.554 120.500 -0.166 0.000 2.280 343 R HA 0.041 4.381 4.340 -0.001 0.000 0.207 343 R C 0.714 177.097 176.300 0.138 0.000 1.043 343 R CA 0.789 56.948 56.100 0.098 0.000 1.006 343 R CB 0.195 30.540 30.300 0.075 0.000 0.885 343 R HN 0.221 nan 8.270 nan 0.000 0.467 344 R N 0.160 120.731 120.500 0.117 0.000 2.855 344 R HA 0.489 4.828 4.340 -0.001 0.000 0.266 344 R C -0.411 175.993 176.300 0.173 0.000 1.034 344 R CA -0.859 55.335 56.100 0.157 0.000 0.944 344 R CB 1.385 31.741 30.300 0.093 0.000 1.219 344 R HN -0.008 nan 8.270 nan 0.000 0.474 345 I N -2.578 118.101 120.570 0.181 0.000 3.042 345 I HA 0.697 4.867 4.170 -0.001 0.000 0.310 345 I C -0.048 176.165 176.117 0.159 0.000 1.117 345 I CA -0.783 60.580 61.300 0.106 0.000 1.003 345 I CB 2.548 40.549 38.000 0.001 0.000 1.228 345 I HN 0.608 nan 8.210 nan 0.000 0.443 346 T N 1.484 116.111 114.554 0.121 0.000 2.932 346 T HA 0.767 5.117 4.350 -0.001 0.000 0.289 346 T C -0.683 174.145 174.700 0.214 0.000 1.039 346 T CA -0.844 61.399 62.100 0.239 0.000 1.024 346 T CB 1.790 70.800 68.868 0.237 0.000 1.090 346 T HN 0.611 nan 8.240 nan 0.000 0.496 347 L N 1.263 122.664 121.223 0.297 0.000 2.376 347 L HA 0.579 4.918 4.340 -0.001 0.000 0.275 347 L C 0.049 177.096 176.870 0.296 0.000 0.987 347 L CA -0.885 54.081 54.840 0.210 0.000 0.828 347 L CB 2.125 44.187 42.059 0.005 0.000 1.249 347 L HN 0.623 nan 8.230 nan 0.000 0.409 348 R N 2.581 123.185 120.500 0.172 0.000 2.310 348 R HA 0.723 5.062 4.340 -0.001 0.000 0.324 348 R C -0.296 176.056 176.300 0.086 0.000 0.955 348 R CA -0.272 55.783 56.100 -0.074 0.000 0.830 348 R CB 1.687 31.753 30.300 -0.389 0.000 1.154 348 R HN 0.778 nan 8.270 nan 0.000 0.458 349 A N 1.858 124.743 122.820 0.107 0.000 2.267 349 A HA 0.129 4.449 4.320 -0.001 0.000 0.271 349 A C 1.182 178.688 177.584 -0.131 0.000 1.131 349 A CA 0.153 52.188 52.037 -0.002 0.000 0.818 349 A CB 0.362 19.431 19.000 0.116 0.000 1.118 349 A HN 0.898 nan 8.150 nan 0.000 0.501 350 S N -0.063 115.517 115.700 -0.199 0.000 2.481 350 S HA -0.140 4.330 4.470 -0.001 0.000 0.231 350 S C 0.987 175.534 174.600 -0.089 0.000 0.996 350 S CA 1.122 59.236 58.200 -0.143 0.000 0.942 350 S CB -0.599 62.513 63.200 -0.146 0.000 0.768 350 S HN 0.848 nan 8.310 nan 0.000 0.520 351 N N 1.397 120.055 118.700 -0.069 0.000 2.461 351 N HA 0.176 4.915 4.740 -0.001 0.000 0.188 351 N C 1.281 176.758 175.510 -0.055 0.000 1.134 351 N CA 0.683 53.706 53.050 -0.045 0.000 0.878 351 N CB -0.820 37.656 38.487 -0.019 0.000 0.972 351 N HN 0.612 nan 8.380 nan 0.000 0.456 352 G N -0.429 108.318 108.800 -0.088 0.000 2.162 352 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.260 352 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.260 352 G C -0.176 174.615 174.900 -0.182 0.000 0.976 352 G CA 0.444 45.468 45.100 -0.127 0.000 0.655 352 G HN 0.483 nan 8.290 nan 0.000 0.533 353 K N -0.695 119.627 120.400 -0.131 0.000 2.185 353 K HA 0.673 4.993 4.320 -0.001 0.000 0.240 353 K C -0.413 176.115 176.600 -0.119 0.000 0.983 353 K CA -0.825 55.409 56.287 -0.089 0.000 0.873 353 K CB 1.145 33.665 32.500 0.034 0.000 1.118 353 K HN 0.023 nan 8.250 nan 0.000 0.441 354 F N 0.601 120.615 119.950 0.108 0.000 2.375 354 F HA 0.153 4.680 4.527 -0.001 0.000 0.333 354 F C 0.575 176.471 175.800 0.160 0.000 1.104 354 F CA -0.795 57.288 58.000 0.138 0.000 1.149 354 F CB 0.929 40.002 39.000 0.121 0.000 1.190 354 F HN 0.029 nan 8.300 nan 0.000 0.533 355 V N 1.895 122.044 119.914 0.392 0.000 2.614 355 V HA 0.299 4.418 4.120 -0.001 0.000 0.291 355 V C 0.233 176.563 176.094 0.392 0.000 1.049 355 V CA 0.028 62.523 62.300 0.325 0.000 1.038 355 V CB 1.093 33.052 31.823 0.227 0.000 0.980 355 V HN 0.855 nan 8.190 nan 0.000 0.481 356 T N 2.705 117.425 114.554 0.277 0.000 2.901 356 T HA 0.560 4.910 4.350 -0.001 0.000 0.293 356 T C -0.368 174.422 174.700 0.150 0.000 1.084 356 T CA -0.321 61.892 62.100 0.187 0.000 1.008 356 T CB 1.764 70.692 68.868 0.101 0.000 1.170 356 T HN 0.893 nan 8.240 nan 0.000 0.509 357 S N 3.031 118.761 115.700 0.050 0.000 2.462 357 S HA 0.627 5.097 4.470 -0.001 0.000 0.294 357 S C -0.043 174.558 174.600 0.002 0.000 1.144 357 S CA -0.961 57.255 58.200 0.027 0.000 1.088 357 S CB 0.832 64.027 63.200 -0.010 0.000 1.009 357 S HN 0.604 nan 8.310 nan 0.000 0.484 358 K N 2.164 122.568 120.400 0.005 0.000 2.143 358 K HA 0.112 4.432 4.320 -0.001 0.000 0.239 358 K C 1.641 178.235 176.600 -0.009 0.000 1.048 358 K CA -0.347 55.940 56.287 -0.000 0.000 0.867 358 K CB 0.305 32.806 32.500 0.001 0.000 1.088 358 K HN 0.911 nan 8.250 nan 0.000 0.510 359 K N 0.435 120.830 120.400 -0.008 0.000 2.152 359 K HA -0.183 4.136 4.320 -0.001 0.000 0.206 359 K C 0.902 177.495 176.600 -0.010 0.000 1.048 359 K CA 1.967 58.247 56.287 -0.011 0.000 0.933 359 K CB -0.188 32.307 32.500 -0.008 0.000 0.721 359 K HN 0.483 nan 8.250 nan 0.000 0.447 360 N N 0.179 118.874 118.700 -0.008 0.000 2.461 360 N HA 0.039 4.778 4.740 -0.001 0.000 0.188 360 N C 1.146 176.651 175.510 -0.010 0.000 1.134 360 N CA 0.837 53.882 53.050 -0.008 0.000 0.878 360 N CB 0.526 39.008 38.487 -0.008 0.000 0.972 360 N HN 0.513 nan 8.380 nan 0.000 0.456 361 G N -0.774 108.020 108.800 -0.010 0.000 2.241 361 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.244 361 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.244 361 G C -0.218 174.674 174.900 -0.013 0.000 0.998 361 G CA 0.050 45.145 45.100 -0.009 0.000 0.621 361 G HN 0.486 nan 8.290 nan 0.000 0.519 362 Q N 0.573 120.361 119.800 -0.018 0.000 2.300 362 Q HA 0.459 4.799 4.340 -0.001 0.000 0.280 362 Q C 0.680 176.662 176.000 -0.030 0.000 1.033 362 Q CA 0.029 55.812 55.803 -0.033 0.000 0.903 362 Q CB 0.717 29.438 28.738 -0.029 0.000 1.195 362 Q HN 0.493 nan 8.270 nan 0.000 0.386 363 L N 1.921 123.101 121.223 -0.072 0.000 2.380 363 L HA 0.502 4.841 4.340 -0.001 0.000 0.273 363 L C -0.010 176.844 176.870 -0.025 0.000 1.138 363 L CA -0.348 54.458 54.840 -0.057 0.000 0.832 363 L CB 0.599 42.540 42.059 -0.197 0.000 1.124 363 L HN 0.659 nan 8.230 nan 0.000 0.454 364 A N 2.614 125.455 122.820 0.035 0.000 2.547 364 A HA 0.759 5.079 4.320 -0.001 0.000 0.297 364 A C -0.752 176.894 177.584 0.103 0.000 1.056 364 A CA -0.514 51.555 52.037 0.053 0.000 0.688 364 A CB 1.680 20.705 19.000 0.041 0.000 1.282 364 A HN 0.723 nan 8.150 nan 0.000 0.400 365 A N 1.443 124.331 122.820 0.114 0.000 2.621 365 A HA 0.576 4.896 4.320 -0.001 0.000 0.329 365 A C 0.758 178.408 177.584 0.109 0.000 1.458 365 A CA 0.285 52.408 52.037 0.143 0.000 1.052 365 A CB -0.690 18.406 19.000 0.160 0.000 1.142 365 A HN 1.882 nan 8.150 nan 0.000 0.523 366 S N 0.516 116.288 115.700 0.120 0.000 2.817 366 S HA 0.210 4.679 4.470 -0.001 0.000 0.262 366 S C -0.053 174.614 174.600 0.112 0.000 1.051 366 S CA 0.042 58.298 58.200 0.094 0.000 1.185 366 S CB -0.094 63.149 63.200 0.072 0.000 1.152 366 S HN 0.326 nan 8.310 nan 0.000 0.653 367 V N 2.657 122.671 119.914 0.168 0.000 2.439 367 V HA 0.467 4.587 4.120 -0.001 0.000 0.282 367 V C 1.298 177.558 176.094 0.276 0.000 1.039 367 V CA -0.244 62.174 62.300 0.196 0.000 0.913 367 V CB 1.520 33.462 31.823 0.199 0.000 0.983 367 V HN 0.404 nan 8.190 nan 0.000 0.460 368 E N 3.157 123.481 120.200 0.206 0.000 2.086 368 E HA -0.015 4.335 4.350 -0.001 0.000 0.190 368 E C 0.737 177.521 176.600 0.306 0.000 0.975 368 E CA 0.952 57.478 56.400 0.210 0.000 0.813 368 E CB 0.294 30.065 29.700 0.118 0.000 0.768 368 E HN 0.825 nan 8.360 nan 0.000 0.457 369 T N -1.112 113.564 114.554 0.204 0.000 2.881 369 T HA 0.769 5.119 4.350 -0.001 0.000 0.291 369 T C -0.281 174.345 174.700 -0.124 0.000 0.990 369 T CA -0.525 61.640 62.100 0.107 0.000 0.976 369 T CB 1.602 70.505 68.868 0.060 0.000 0.970 369 T HN 0.214 nan 8.240 nan 0.000 0.438 370 A N 2.727 125.214 122.820 -0.555 0.000 2.520 370 A HA 0.658 4.977 4.320 -0.001 0.000 0.245 370 A C 0.908 178.313 177.584 -0.299 0.000 1.072 370 A CA 0.182 51.826 52.037 -0.656 0.000 0.761 370 A CB -0.340 17.946 19.000 -1.190 0.000 1.004 370 A HN 1.292 nan 8.150 nan 0.000 0.499 371 G N 0.470 109.154 108.800 -0.192 0.000 3.107 371 G HA2 0.450 4.410 3.960 -0.001 0.000 0.232 371 G HA3 0.450 4.410 3.960 -0.001 0.000 0.232 371 G C 0.019 174.849 174.900 -0.117 0.000 1.339 371 G CA -0.094 44.932 45.100 -0.123 0.000 1.033 371 G HN 0.486 nan 8.290 nan 0.000 0.567 372 D N 0.070 120.417 120.400 -0.088 0.000 2.178 372 D HA -0.109 4.530 4.640 -0.001 0.000 0.202 372 D C 2.781 179.016 176.300 -0.109 0.000 0.974 372 D CA 1.699 55.647 54.000 -0.086 0.000 0.841 372 D CB -0.150 40.610 40.800 -0.067 0.000 0.953 372 D HN 0.315 nan 8.370 nan 0.000 0.478 373 S N 0.082 115.721 115.700 -0.102 0.000 2.507 373 S HA -0.097 4.372 4.470 -0.001 0.000 0.235 373 S C 1.329 175.835 174.600 -0.158 0.000 0.988 373 S CA 0.634 58.760 58.200 -0.122 0.000 0.944 373 S CB -0.050 63.102 63.200 -0.079 0.000 0.762 373 S HN 0.061 nan 8.310 nan 0.000 0.526 374 E N 0.635 120.760 120.200 -0.124 0.000 2.476 374 E HA 0.384 4.734 4.350 -0.001 0.000 0.196 374 E C -0.276 176.296 176.600 -0.045 0.000 1.029 374 E CA -0.107 56.260 56.400 -0.056 0.000 0.896 374 E CB 0.139 29.822 29.700 -0.028 0.000 1.012 374 E HN 0.539 nan 8.360 nan 0.000 0.475 375 L N 1.138 122.273 121.223 -0.148 0.000 2.305 375 L HA 0.349 4.689 4.340 -0.001 0.000 0.281 375 L C -0.369 176.393 176.870 -0.179 0.000 1.085 375 L CA -0.283 54.520 54.840 -0.062 0.000 0.813 375 L CB 0.390 42.413 42.059 -0.060 0.000 1.157 375 L HN -0.033 nan 8.230 nan 0.000 0.436 376 F N 2.898 122.872 119.950 0.041 0.000 2.492 376 F HA 0.458 4.985 4.527 -0.001 0.000 0.327 376 F C 0.126 175.983 175.800 0.095 0.000 1.079 376 F CA -0.671 57.363 58.000 0.058 0.000 0.967 376 F CB 1.926 40.953 39.000 0.046 0.000 1.169 376 F HN 0.283 nan 8.300 nan 0.000 0.472 377 L N 4.485 125.878 121.223 0.283 0.000 2.326 377 L HA 0.570 4.910 4.340 -0.001 0.000 0.278 377 L C -0.846 176.214 176.870 0.317 0.000 1.092 377 L CA -0.386 54.632 54.840 0.297 0.000 0.810 377 L CB 0.939 43.154 42.059 0.261 0.000 1.153 377 L HN 0.780 nan 8.230 nan 0.000 0.439 378 M N 6.325 126.137 119.600 0.353 0.000 2.259 378 M HA 0.389 4.869 4.480 -0.001 0.000 0.304 378 M C -1.491 174.936 176.300 0.212 0.000 1.019 378 M CA -0.585 54.879 55.300 0.273 0.000 0.922 378 M CB 1.230 34.022 32.600 0.321 0.000 1.600 378 M HN 0.589 nan 8.290 nan 0.000 0.433 379 K N 5.170 125.526 120.400 -0.073 0.000 2.413 379 K HA 0.393 4.712 4.320 -0.001 0.000 0.257 379 K C -1.646 174.856 176.600 -0.163 0.000 0.946 379 K CA -0.785 55.193 56.287 -0.517 0.000 0.823 379 K CB 1.583 33.448 32.500 -1.058 0.000 1.109 379 K HN 0.784 nan 8.250 nan 0.000 0.427 380 L N 6.406 127.684 121.223 0.091 0.000 2.418 380 L HA 0.163 4.502 4.340 -0.001 0.000 0.274 380 L C 0.361 177.232 176.870 0.002 0.000 1.135 380 L CA 0.282 55.172 54.840 0.084 0.000 0.870 380 L CB 0.554 42.758 42.059 0.242 0.000 1.154 380 L HN 0.795 nan 8.230 nan 0.000 0.462 381 I N 1.189 121.719 120.570 -0.068 0.000 4.057 381 I HA 0.308 4.477 4.170 -0.001 0.000 0.334 381 I C 0.713 176.800 176.117 -0.050 0.000 1.308 381 I CA 0.472 61.732 61.300 -0.068 0.000 1.125 381 I CB -0.469 37.470 38.000 -0.102 0.000 1.034 381 I HN 0.660 nan 8.210 nan 0.000 0.401 382 N N 1.407 120.072 118.700 -0.059 0.000 2.389 382 N HA 0.169 4.908 4.740 -0.001 0.000 0.260 382 N C -0.048 175.463 175.510 0.000 0.000 1.191 382 N CA -0.202 52.819 53.050 -0.049 0.000 0.885 382 N CB 0.220 38.644 38.487 -0.105 0.000 1.162 382 N HN 0.179 nan 8.380 nan 0.000 0.512 383 R N 0.937 121.454 120.500 0.028 0.000 2.701 383 R HA 0.278 4.617 4.340 -0.001 0.000 0.281 383 R C -1.933 174.402 176.300 0.058 0.000 1.367 383 R CA -1.096 55.029 56.100 0.043 0.000 1.510 383 R CB 0.993 31.324 30.300 0.052 0.000 1.306 383 R HN 0.163 nan 8.270 nan 0.000 0.682 384 P HA -0.097 nan 4.420 nan 0.000 0.218 384 P C 0.659 178.000 177.300 0.068 0.000 1.148 384 P CA 1.121 64.277 63.100 0.093 0.000 0.822 384 P CB 0.335 32.099 31.700 0.108 0.000 0.784 385 I N -3.288 117.280 120.570 -0.002 0.000 2.603 385 I HA 0.679 4.849 4.170 -0.001 0.000 0.300 385 I C -0.505 175.576 176.117 -0.059 0.000 1.017 385 I CA -1.624 59.629 61.300 -0.079 0.000 1.098 385 I CB 2.597 40.467 38.000 -0.216 0.000 1.279 385 I HN -0.282 nan 8.210 nan 0.000 0.437 386 I N 4.315 124.836 120.570 -0.081 0.000 2.752 386 I HA 0.601 4.771 4.170 -0.001 0.000 0.295 386 I C -1.595 174.385 176.117 -0.228 0.000 1.219 386 I CA -0.646 60.551 61.300 -0.170 0.000 1.030 386 I CB 2.311 40.154 38.000 -0.262 0.000 1.259 386 I HN 0.470 nan 8.210 nan 0.000 0.423 387 V N 6.563 126.310 119.914 -0.278 0.000 2.823 387 V HA 0.552 4.671 4.120 -0.001 0.000 0.312 387 V C -1.149 174.846 176.094 -0.165 0.000 1.072 387 V CA -0.496 61.683 62.300 -0.201 0.000 0.937 387 V CB 2.028 33.600 31.823 -0.419 0.000 1.013 387 V HN 0.456 nan 8.190 nan 0.000 0.430 388 F N 2.918 123.125 119.950 0.429 0.000 2.493 388 F HA 0.653 5.179 4.527 -0.000 0.000 0.329 388 F C 0.206 176.357 175.800 0.585 0.000 1.126 388 F CA -0.587 57.691 58.000 0.464 0.000 0.937 388 F CB 1.618 40.753 39.000 0.224 0.000 1.146 388 F HN 0.260 nan 8.300 nan 0.000 0.442 389 R N 1.794 122.734 120.500 0.732 0.000 2.343 389 R HA 0.699 5.038 4.340 -0.001 0.000 0.320 389 R C -0.014 176.509 176.300 0.373 0.000 0.956 389 R CA -0.399 55.946 56.100 0.408 0.000 0.836 389 R CB 1.151 31.579 30.300 0.213 0.000 1.151 389 R HN 0.909 nan 8.270 nan 0.000 0.450 390 G N 1.402 110.385 108.800 0.304 0.000 2.642 390 G HA2 0.080 4.040 3.960 -0.001 0.000 0.291 390 G HA3 0.080 4.040 3.960 -0.001 0.000 0.291 390 G C 0.368 175.161 174.900 -0.178 0.000 1.345 390 G CA -0.449 44.664 45.100 0.022 0.000 1.043 390 G HN 0.788 nan 8.290 nan 0.000 0.528 391 E N -1.273 118.716 120.200 -0.351 0.000 2.204 391 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 391 E C 0.605 176.875 176.600 -0.549 0.000 0.989 391 E CA 1.134 57.239 56.400 -0.492 0.000 0.824 391 E CB -0.079 29.225 29.700 -0.659 0.000 0.756 391 E HN 0.458 nan 8.360 nan 0.000 0.477 392 H N -0.243 118.780 119.070 -0.079 0.000 2.785 392 H HA 0.445 5.001 4.556 -0.000 0.000 0.268 392 H C 0.661 175.961 175.328 -0.048 0.000 1.153 392 H CA 0.503 56.513 56.048 -0.062 0.000 1.111 392 H CB 1.473 31.213 29.762 -0.037 0.000 1.633 392 H HN 0.315 nan 8.280 nan 0.000 0.576 393 G N 0.018 108.817 108.800 -0.003 0.000 2.332 393 G HA2 0.077 4.037 3.960 -0.001 0.000 0.265 393 G HA3 0.077 4.037 3.960 -0.001 0.000 0.265 393 G C -1.690 173.167 174.900 -0.072 0.000 1.329 393 G CA -0.983 44.080 45.100 -0.062 0.000 0.949 393 G HN -0.003 nan 8.290 nan 0.000 0.476 394 F N 0.394 120.512 119.950 0.280 0.000 2.440 394 F HA 0.700 5.227 4.527 -0.001 0.000 0.328 394 F C 1.162 177.162 175.800 0.334 0.000 1.070 394 F CA -0.723 57.487 58.000 0.349 0.000 1.011 394 F CB 1.383 40.613 39.000 0.383 0.000 1.226 394 F HN 0.291 nan 8.300 nan 0.000 0.491 395 I N 1.587 122.499 120.570 0.571 0.000 2.556 395 I HA 0.455 4.624 4.170 -0.001 0.000 0.284 395 I C 0.549 176.982 176.117 0.526 0.000 1.114 395 I CA 0.281 61.811 61.300 0.383 0.000 1.418 395 I CB 0.135 38.248 38.000 0.189 0.000 1.394 395 I HN 0.670 nan 8.210 nan 0.000 0.552 396 G N 4.677 113.700 108.800 0.371 0.000 2.677 396 G HA2 0.396 4.355 3.960 -0.001 0.000 0.291 396 G HA3 0.396 4.355 3.960 -0.001 0.000 0.291 396 G C -1.672 173.378 174.900 0.249 0.000 1.435 396 G CA -0.471 44.856 45.100 0.379 0.000 0.826 396 G HN 0.595 nan 8.290 nan 0.000 0.491 397 C N 0.713 120.162 119.300 0.248 0.000 2.576 397 C HA 0.445 4.904 4.460 -0.001 0.000 0.401 397 C C 1.154 176.189 174.990 0.074 0.000 1.314 397 C CA -0.348 58.756 59.018 0.143 0.000 1.855 397 C CB -0.197 27.643 27.740 0.166 0.000 2.537 397 C HN 0.625 nan 8.230 nan 0.000 0.578 398 R N 2.663 123.186 120.500 0.038 0.000 2.272 398 R HA 0.074 4.414 4.340 -0.001 0.000 0.334 398 R C 0.792 177.104 176.300 0.021 0.000 1.117 398 R CA -0.110 56.004 56.100 0.023 0.000 0.966 398 R CB 0.289 30.593 30.300 0.007 0.000 1.049 398 R HN 0.666 nan 8.270 nan 0.000 0.477 399 K N 1.793 122.206 120.400 0.022 0.000 2.211 399 K HA -0.115 4.205 4.320 -0.001 0.000 0.203 399 K C 1.777 178.386 176.600 0.014 0.000 1.050 399 K CA 1.083 57.383 56.287 0.020 0.000 0.945 399 K CB 0.064 32.571 32.500 0.012 0.000 0.732 399 K HN 0.459 nan 8.250 nan 0.000 0.451 400 V N -0.699 119.220 119.914 0.009 0.000 2.287 400 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 400 V C 1.982 178.080 176.094 0.008 0.000 1.053 400 V CA 2.252 64.556 62.300 0.006 0.000 1.027 400 V CB -1.389 30.436 31.823 0.003 0.000 0.646 400 V HN 0.475 nan 8.190 nan 0.000 0.447 401 T N -4.090 110.469 114.554 0.007 0.000 2.985 401 T HA 0.505 4.855 4.350 -0.001 0.000 0.254 401 T C 1.613 176.318 174.700 0.008 0.000 1.021 401 T CA 0.981 63.085 62.100 0.006 0.000 0.957 401 T CB 0.822 69.690 68.868 0.000 0.000 1.047 401 T HN 1.366 nan 8.240 nan 0.000 0.511 402 G N 1.457 110.264 108.800 0.012 0.000 2.234 402 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.260 402 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.260 402 G C 0.272 175.163 174.900 -0.016 0.000 0.987 402 G CA 0.253 45.362 45.100 0.015 0.000 0.625 402 G HN 0.743 nan 8.290 nan 0.000 0.532 403 T N 1.936 116.474 114.554 -0.028 0.000 2.916 403 T HA 0.472 4.821 4.350 -0.001 0.000 0.303 403 T C 0.822 175.468 174.700 -0.091 0.000 1.025 403 T CA 0.057 62.120 62.100 -0.063 0.000 1.142 403 T CB 1.233 70.075 68.868 -0.043 0.000 0.947 403 T HN 0.358 nan 8.240 nan 0.000 0.544 404 L N 3.538 124.648 121.223 -0.188 0.000 2.326 404 L HA 0.386 4.726 4.340 -0.001 0.000 0.278 404 L C 0.355 177.139 176.870 -0.144 0.000 1.092 404 L CA -0.512 54.188 54.840 -0.234 0.000 0.810 404 L CB 0.632 42.342 42.059 -0.581 0.000 1.153 404 L HN 0.568 nan 8.230 nan 0.000 0.439 405 D N 1.114 121.480 120.400 -0.057 0.000 2.340 405 D HA 0.442 5.082 4.640 -0.001 0.000 0.240 405 D C 0.146 176.479 176.300 0.056 0.000 1.001 405 D CA -0.409 53.593 54.000 0.003 0.000 0.888 405 D CB 2.273 43.093 40.800 0.034 0.000 1.310 405 D HN 0.523 nan 8.370 nan 0.000 0.474 406 A N 1.241 124.132 122.820 0.117 0.000 2.390 406 A HA 0.018 4.338 4.320 -0.001 0.000 0.232 406 A C 0.698 178.452 177.584 0.283 0.000 1.233 406 A CA -0.065 52.121 52.037 0.250 0.000 0.907 406 A CB -0.218 19.029 19.000 0.413 0.000 0.967 406 A HN 0.462 nan 8.150 nan 0.000 0.512 407 N N -0.105 118.712 118.700 0.196 0.000 2.433 407 N HA 0.084 4.824 4.740 -0.001 0.000 0.270 407 N C -0.552 175.050 175.510 0.153 0.000 1.354 407 N CA -0.422 52.730 53.050 0.170 0.000 0.889 407 N CB 0.006 38.560 38.487 0.113 0.000 1.285 407 N HN 0.089 nan 8.380 nan 0.000 0.503 408 R N 0.141 120.770 120.500 0.215 0.000 2.490 408 R HA 0.215 4.555 4.340 -0.001 0.000 0.280 408 R C 0.617 177.090 176.300 0.289 0.000 1.077 408 R CA -0.166 56.068 56.100 0.224 0.000 1.065 408 R CB 0.685 31.139 30.300 0.257 0.000 1.003 408 R HN 0.138 nan 8.270 nan 0.000 0.470 409 S N 0.626 116.448 115.700 0.204 0.000 2.423 409 S HA -0.053 4.417 4.470 -0.001 0.000 0.231 409 S C 0.502 175.333 174.600 0.386 0.000 1.014 409 S CA 0.950 59.267 58.200 0.195 0.000 0.965 409 S CB 0.222 63.448 63.200 0.043 0.000 0.785 409 S HN 0.504 nan 8.310 nan 0.000 0.495 410 S N 0.753 116.650 115.700 0.328 0.000 2.513 410 S HA 0.582 5.051 4.470 -0.001 0.000 0.299 410 S C -0.703 173.950 174.600 0.089 0.000 1.087 410 S CA -0.928 57.389 58.200 0.194 0.000 1.012 410 S CB 0.913 64.033 63.200 -0.133 0.000 1.044 410 S HN 0.433 nan 8.310 nan 0.000 0.485 411 Y N 0.009 120.242 120.300 -0.112 0.000 2.301 411 Y HA 0.632 5.182 4.550 -0.001 0.000 0.328 411 Y C -0.102 175.784 175.900 -0.024 0.000 1.242 411 Y CA -0.863 57.105 58.100 -0.220 0.000 1.323 411 Y CB 0.220 38.208 38.460 -0.786 0.000 1.266 411 Y HN 0.334 nan 8.280 nan 0.000 0.527 412 D N 1.119 121.595 120.400 0.127 0.000 2.181 412 D HA 0.418 5.057 4.640 -0.001 0.000 0.248 412 D C -0.975 175.160 176.300 -0.274 0.000 1.020 412 D CA -0.546 53.364 54.000 -0.150 0.000 0.891 412 D CB 2.305 42.847 40.800 -0.431 0.000 1.187 412 D HN 0.447 nan 8.370 nan 0.000 0.443 413 V N 2.843 122.569 119.914 -0.312 0.000 2.370 413 V HA 0.329 4.449 4.120 -0.001 0.000 0.279 413 V C -0.235 175.602 176.094 -0.427 0.000 1.029 413 V CA -0.510 61.633 62.300 -0.262 0.000 0.870 413 V CB 0.059 31.809 31.823 -0.121 0.000 0.984 413 V HN 0.315 nan 8.190 nan 0.000 0.451 414 F N 2.296 122.252 119.950 0.010 0.000 2.450 414 F HA 0.579 5.105 4.527 -0.001 0.000 0.328 414 F C 0.612 176.363 175.800 -0.081 0.000 1.068 414 F CA -0.733 57.267 58.000 0.001 0.000 1.007 414 F CB 1.197 40.219 39.000 0.038 0.000 1.251 414 F HN 0.369 nan 8.300 nan 0.000 0.492 415 Q N 1.250 121.135 119.800 0.143 0.000 2.274 415 Q HA 0.606 4.946 4.340 -0.001 0.000 0.260 415 Q C -1.599 174.448 176.000 0.078 0.000 0.974 415 Q CA -1.068 54.777 55.803 0.070 0.000 0.876 415 Q CB 2.664 31.454 28.738 0.087 0.000 1.297 415 Q HN 0.416 nan 8.270 nan 0.000 0.446 416 L N 1.637 122.921 121.223 0.102 0.000 2.356 416 L HA 0.433 4.772 4.340 -0.001 0.000 0.277 416 L C -1.202 175.780 176.870 0.188 0.000 0.996 416 L CA 0.023 54.942 54.840 0.131 0.000 0.822 416 L CB 1.808 43.954 42.059 0.144 0.000 1.256 416 L HN 0.606 nan 8.230 nan 0.000 0.413 417 E N 3.665 123.991 120.200 0.210 0.000 2.256 417 E HA 0.402 4.752 4.350 -0.001 0.000 0.267 417 E C -1.773 174.947 176.600 0.201 0.000 0.892 417 E CA -0.652 55.870 56.400 0.203 0.000 0.775 417 E CB 2.659 32.471 29.700 0.187 0.000 1.207 417 E HN 0.444 nan 8.360 nan 0.000 0.420 418 F N 2.304 122.234 119.950 -0.033 0.000 2.480 418 F HA 0.489 5.015 4.527 -0.001 0.000 0.329 418 F C -0.650 175.042 175.800 -0.180 0.000 1.091 418 F CA -0.688 57.176 58.000 -0.226 0.000 0.972 418 F CB 1.269 40.157 39.000 -0.187 0.000 1.150 418 F HN 0.334 nan 8.300 nan 0.000 0.467 419 N N 4.081 122.248 118.700 -0.889 0.000 2.710 419 N HA 0.176 4.915 4.740 -0.001 0.000 0.244 419 N C -1.265 173.795 175.510 -0.749 0.000 1.321 419 N CA -0.214 52.488 53.050 -0.579 0.000 0.758 419 N CB 0.209 38.468 38.487 -0.379 0.000 1.284 419 N HN 0.645 nan 8.380 nan 0.000 0.530 420 D N 2.929 122.892 120.400 -0.729 0.000 2.699 420 D HA -0.150 4.490 4.640 -0.001 0.000 0.239 420 D C 0.967 177.002 176.300 -0.441 0.000 1.136 420 D CA 2.460 56.218 54.000 -0.403 0.000 0.668 420 D CB -1.170 39.512 40.800 -0.196 0.000 1.060 420 D HN 1.032 nan 8.370 nan 0.000 0.429 421 G N -2.191 106.056 108.800 -0.921 0.000 2.232 421 G HA2 0.047 4.006 3.960 -0.001 0.000 0.226 421 G HA3 0.047 4.006 3.960 -0.001 0.000 0.226 421 G C 0.499 175.216 174.900 -0.305 0.000 0.996 421 G CA 0.670 45.596 45.100 -0.291 0.000 0.626 421 G HN 1.397 nan 8.290 nan 0.000 0.509 422 A N -0.642 121.782 122.820 -0.661 0.000 2.299 422 A HA 0.885 5.205 4.320 -0.001 0.000 0.332 422 A C -0.797 176.243 177.584 -0.905 0.000 1.131 422 A CA -0.624 51.021 52.037 -0.654 0.000 0.844 422 A CB 0.984 19.601 19.000 -0.639 0.000 1.251 422 A HN 0.688 nan 8.150 nan 0.000 0.486 423 Y N 0.586 120.619 120.300 -0.445 0.000 2.429 423 Y HA 0.434 4.984 4.550 -0.001 0.000 0.342 423 Y C 0.003 175.788 175.900 -0.192 0.000 1.004 423 Y CA -0.740 57.141 58.100 -0.365 0.000 1.075 423 Y CB 2.048 40.030 38.460 -0.797 0.000 1.214 423 Y HN 0.614 nan 8.280 nan 0.000 0.455 424 N N 3.130 121.863 118.700 0.054 0.000 2.321 424 N HA 0.544 5.283 4.740 -0.001 0.000 0.299 424 N C -1.324 174.271 175.510 0.141 0.000 1.048 424 N CA -0.476 52.656 53.050 0.136 0.000 0.836 424 N CB 2.191 40.719 38.487 0.069 0.000 1.269 424 N HN 0.543 nan 8.380 nan 0.000 0.486 425 I N 1.512 122.104 120.570 0.036 0.000 2.433 425 I HA 0.374 4.544 4.170 -0.001 0.000 0.292 425 I C 0.019 176.010 176.117 -0.211 0.000 1.001 425 I CA -0.729 60.357 61.300 -0.356 0.000 1.119 425 I CB 1.591 38.809 38.000 -1.302 0.000 1.289 425 I HN 0.387 nan 8.210 nan 0.000 0.438 426 K N 3.343 123.666 120.400 -0.128 0.000 2.443 426 K HA 0.650 4.969 4.320 -0.001 0.000 0.251 426 K C -1.606 175.104 176.600 0.182 0.000 0.972 426 K CA -0.932 55.296 56.287 -0.099 0.000 0.833 426 K CB 2.258 34.434 32.500 -0.541 0.000 1.317 426 K HN 0.476 nan 8.250 nan 0.000 0.441 427 D N -0.129 120.417 120.400 0.243 0.000 2.529 427 D HA 0.063 4.702 4.640 -0.001 0.000 0.273 427 D C 0.862 177.227 176.300 0.107 0.000 1.197 427 D CA -0.497 53.695 54.000 0.320 0.000 1.070 427 D CB 0.842 41.875 40.800 0.388 0.000 1.134 427 D HN 0.533 nan 8.370 nan 0.000 0.590 428 S N -1.968 113.764 115.700 0.054 0.000 2.507 428 S HA -0.145 4.325 4.470 -0.001 0.000 0.235 428 S C 1.561 176.185 174.600 0.041 0.000 0.988 428 S CA 1.055 59.275 58.200 0.032 0.000 0.944 428 S CB -1.283 61.923 63.200 0.010 0.000 0.762 428 S HN 0.698 nan 8.310 nan 0.000 0.526 429 T N -2.732 111.850 114.554 0.046 0.000 3.129 429 T HA 0.475 4.824 4.350 -0.001 0.000 0.251 429 T C 1.565 176.277 174.700 0.019 0.000 1.117 429 T CA 0.467 62.589 62.100 0.037 0.000 1.034 429 T CB -0.403 68.492 68.868 0.046 0.000 0.968 429 T HN 1.072 nan 8.240 nan 0.000 0.526 430 G N 1.504 110.300 108.800 -0.008 0.000 2.162 430 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.260 430 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.260 430 G C 0.010 174.806 174.900 -0.173 0.000 0.976 430 G CA 0.028 45.080 45.100 -0.081 0.000 0.655 430 G HN 0.579 nan 8.290 nan 0.000 0.533 431 K N -0.147 120.204 120.400 -0.082 0.000 2.118 431 K HA 0.538 4.858 4.320 -0.001 0.000 0.267 431 K C -0.143 176.410 176.600 -0.078 0.000 0.991 431 K CA -0.654 55.614 56.287 -0.031 0.000 0.916 431 K CB 0.808 33.358 32.500 0.083 0.000 1.041 431 K HN 0.218 nan 8.250 nan 0.000 0.455 432 Y N 0.236 120.651 120.300 0.191 0.000 2.310 432 Y HA 0.124 4.673 4.550 -0.001 0.000 0.326 432 Y C 0.338 176.449 175.900 0.351 0.000 1.151 432 Y CA -0.521 57.721 58.100 0.236 0.000 1.195 432 Y CB 0.594 39.159 38.460 0.174 0.000 1.210 432 Y HN 0.397 nan 8.280 nan 0.000 0.483 433 W N 1.949 123.376 121.300 0.211 0.000 2.257 433 W HA 0.277 4.937 4.660 0.000 0.000 0.337 433 W C 0.622 177.329 176.519 0.312 0.000 1.321 433 W CA -0.175 57.263 57.345 0.154 0.000 1.267 433 W CB 0.066 29.486 29.460 -0.067 0.000 1.187 433 W HN 0.362 nan 8.180 nan 0.000 0.565 434 T N 1.231 116.027 114.554 0.403 0.000 2.816 434 T HA 0.653 5.003 4.350 -0.001 0.000 0.299 434 T C -1.620 173.180 174.700 0.167 0.000 1.230 434 T CA -0.716 61.539 62.100 0.258 0.000 1.007 434 T CB 1.103 70.074 68.868 0.171 0.000 1.289 434 T HN 0.006 nan 8.240 nan 0.000 0.508 435 V N 2.507 122.473 119.914 0.086 0.000 2.409 435 V HA 0.699 4.819 4.120 -0.001 0.000 0.291 435 V C 1.183 177.293 176.094 0.027 0.000 1.020 435 V CA -0.416 61.917 62.300 0.055 0.000 0.848 435 V CB 1.153 32.995 31.823 0.032 0.000 0.990 435 V HN 1.090 nan 8.190 nan 0.000 0.430 436 G N 2.572 111.383 108.800 0.020 0.000 2.653 436 G HA2 0.308 4.268 3.960 -0.001 0.000 0.265 436 G HA3 0.308 4.268 3.960 -0.001 0.000 0.265 436 G C 1.160 176.066 174.900 0.011 0.000 1.237 436 G CA 0.310 45.418 45.100 0.014 0.000 0.946 436 G HN 0.900 nan 8.290 nan 0.000 0.522 437 S N -0.784 114.922 115.700 0.010 0.000 2.447 437 S HA -0.126 4.344 4.470 -0.001 0.000 0.233 437 S C 1.297 175.904 174.600 0.011 0.000 1.006 437 S CA 1.438 59.643 58.200 0.009 0.000 0.957 437 S CB -0.071 63.134 63.200 0.008 0.000 0.773 437 S HN 0.653 nan 8.310 nan 0.000 0.507 438 D N 0.292 120.699 120.400 0.012 0.000 2.336 438 D HA 0.261 4.900 4.640 -0.001 0.000 0.228 438 D C 0.445 176.756 176.300 0.019 0.000 1.120 438 D CA 0.316 54.326 54.000 0.016 0.000 0.839 438 D CB -0.382 40.427 40.800 0.016 0.000 0.932 438 D HN 0.217 nan 8.370 nan 0.000 0.509 439 S N -1.810 113.901 115.700 0.018 0.000 2.981 439 S HA -0.204 4.265 4.470 -0.001 0.000 0.274 439 S C 0.747 175.360 174.600 0.021 0.000 1.297 439 S CA 0.585 58.799 58.200 0.024 0.000 1.266 439 S CB -1.781 61.438 63.200 0.032 0.000 1.542 439 S HN 0.895 nan 8.310 nan 0.000 0.674 440 A N 1.138 123.963 122.820 0.008 0.000 2.440 440 A HA 0.549 4.869 4.320 -0.001 0.000 0.251 440 A C 0.481 178.045 177.584 -0.032 0.000 1.089 440 A CA -0.080 51.948 52.037 -0.015 0.000 0.779 440 A CB 0.402 19.390 19.000 -0.020 0.000 1.022 440 A HN 0.568 nan 8.150 nan 0.000 0.492 441 V N 2.245 122.107 119.914 -0.088 0.000 2.530 441 V HA 0.504 4.624 4.120 -0.001 0.000 0.282 441 V C 0.788 176.755 176.094 -0.211 0.000 1.048 441 V CA 0.065 62.279 62.300 -0.144 0.000 0.997 441 V CB 1.093 32.749 31.823 -0.279 0.000 0.987 441 V HN 0.980 nan 8.190 nan 0.000 0.477 442 T N 2.544 117.014 114.554 -0.140 0.000 2.876 442 T HA 0.341 4.690 4.350 -0.001 0.000 0.289 442 T C -0.114 174.531 174.700 -0.091 0.000 1.014 442 T CA -0.417 61.612 62.100 -0.119 0.000 0.986 442 T CB 1.686 70.537 68.868 -0.028 0.000 1.021 442 T HN 0.675 nan 8.240 nan 0.000 0.458 443 S N 2.579 118.234 115.700 -0.075 0.000 3.681 443 S HA 0.412 4.881 4.470 -0.001 0.000 0.203 443 S C 0.690 175.372 174.600 0.136 0.000 1.408 443 S CA -0.125 58.126 58.200 0.085 0.000 0.942 443 S CB -0.923 62.377 63.200 0.168 0.000 1.437 443 S HN 0.808 nan 8.310 nan 0.000 0.482 444 S N 0.806 116.590 115.700 0.139 0.000 2.904 444 S HA 0.309 4.778 4.470 -0.001 0.000 0.260 444 S C 0.667 175.348 174.600 0.136 0.000 1.000 444 S CA -0.234 58.034 58.200 0.114 0.000 1.274 444 S CB -0.195 63.048 63.200 0.073 0.000 1.196 444 S HN 0.593 nan 8.310 nan 0.000 0.678 445 G N 0.918 109.837 108.800 0.199 0.000 2.415 445 G HA2 0.426 4.386 3.960 -0.001 0.000 0.269 445 G HA3 0.426 4.386 3.960 -0.001 0.000 0.269 445 G C 0.040 175.097 174.900 0.261 0.000 1.209 445 G CA -0.302 44.928 45.100 0.218 0.000 0.835 445 G HN 0.118 nan 8.290 nan 0.000 0.534 446 D N -0.052 120.462 120.400 0.190 0.000 2.183 446 D HA -0.019 4.621 4.640 -0.001 0.000 0.203 446 D C 1.591 178.039 176.300 0.247 0.000 0.969 446 D CA 1.349 55.464 54.000 0.193 0.000 0.842 446 D CB 0.253 41.120 40.800 0.112 0.000 0.957 446 D HN 0.522 nan 8.370 nan 0.000 0.484 447 T N -0.853 113.791 114.554 0.149 0.000 2.887 447 T HA 0.494 4.844 4.350 -0.001 0.000 0.288 447 T C -2.837 171.700 174.700 -0.272 0.000 1.021 447 T CA -1.979 60.094 62.100 -0.044 0.000 1.000 447 T CB 2.566 71.399 68.868 -0.058 0.000 1.034 447 T HN -0.246 nan 8.240 nan 0.000 0.467 448 P HA 0.304 nan 4.420 nan 0.000 0.269 448 P C -0.898 176.204 177.300 -0.331 0.000 1.209 448 P CA -0.372 62.181 63.100 -0.912 0.000 0.776 448 P CB 0.652 31.789 31.700 -0.939 0.000 0.876 449 V N 3.321 123.142 119.914 -0.154 0.000 2.487 449 V HA 0.160 4.280 4.120 -0.001 0.000 0.298 449 V C -0.096 175.839 176.094 -0.266 0.000 1.028 449 V CA -0.613 61.582 62.300 -0.176 0.000 0.860 449 V CB 1.623 33.370 31.823 -0.126 0.000 0.991 449 V HN 0.459 nan 8.190 nan 0.000 0.427 450 D N 4.568 124.735 120.400 -0.387 0.000 2.371 450 D HA 0.340 4.980 4.640 -0.001 0.000 0.256 450 D C -0.531 175.319 176.300 -0.750 0.000 1.193 450 D CA 0.682 54.387 54.000 -0.492 0.000 0.881 450 D CB 0.626 41.123 40.800 -0.505 0.000 1.143 450 D HN 0.241 nan 8.370 nan 0.000 0.473 451 F N 1.421 121.087 119.950 -0.475 0.000 2.538 451 F HA 0.483 5.009 4.527 -0.001 0.000 0.325 451 F C 0.013 175.479 175.800 -0.558 0.000 1.066 451 F CA -1.039 56.743 58.000 -0.362 0.000 0.946 451 F CB 1.188 40.153 39.000 -0.057 0.000 1.199 451 F HN 0.089 nan 8.300 nan 0.000 0.473 452 F N 2.153 122.291 119.950 0.314 0.000 2.458 452 F HA 0.493 5.019 4.527 -0.001 0.000 0.336 452 F C -0.747 175.317 175.800 0.439 0.000 1.114 452 F CA -1.027 57.153 58.000 0.301 0.000 0.987 452 F CB 1.049 40.160 39.000 0.186 0.000 1.130 452 F HN 0.099 nan 8.300 nan 0.000 0.458 453 F N 1.722 121.819 119.950 0.245 0.000 2.415 453 F HA 0.391 4.917 4.527 -0.001 0.000 0.348 453 F C 0.093 175.581 175.800 -0.521 0.000 1.119 453 F CA -1.584 56.264 58.000 -0.253 0.000 1.069 453 F CB 1.291 39.940 39.000 -0.585 0.000 1.124 453 F HN 0.441 nan 8.300 nan 0.000 0.472 454 E N 4.012 123.853 120.200 -0.599 0.000 2.145 454 E HA 0.289 4.639 4.350 -0.001 0.000 0.262 454 E C -1.181 174.823 176.600 -0.994 0.000 0.883 454 E CA -0.545 55.084 56.400 -1.284 0.000 0.748 454 E CB 1.312 30.435 29.700 -0.961 0.000 1.140 454 E HN 0.237 nan 8.360 nan 0.000 0.417 455 F N 1.812 121.369 119.950 -0.655 0.000 2.399 455 F HA 0.207 4.734 4.527 -0.000 0.000 0.342 455 F C 0.538 176.373 175.800 0.060 0.000 1.106 455 F CA -0.319 57.629 58.000 -0.087 0.000 1.196 455 F CB 0.681 39.769 39.000 0.145 0.000 1.163 455 F HN 0.383 nan 8.300 nan 0.000 0.547 456 C N 1.589 121.051 119.300 0.271 0.000 2.973 456 C HA 0.381 4.840 4.460 -0.001 0.000 0.329 456 C C 0.070 175.191 174.990 0.218 0.000 1.327 456 C CA -0.858 58.281 59.018 0.202 0.000 1.632 456 C CB 1.825 29.619 27.740 0.091 0.000 2.098 456 C HN 0.732 nan 8.230 nan 0.000 0.469 457 D N -1.127 119.373 120.400 0.166 0.000 2.363 457 D HA 0.154 4.794 4.640 -0.001 0.000 0.240 457 D C -0.271 176.144 176.300 0.190 0.000 1.236 457 D CA 0.581 54.636 54.000 0.092 0.000 0.927 457 D CB 0.108 40.906 40.800 -0.002 0.000 1.150 457 D HN 0.653 nan 8.370 nan 0.000 0.458 458 Y N 0.312 120.615 120.300 0.006 0.000 4.032 458 Y HA -0.288 4.262 4.550 -0.000 0.000 0.230 458 Y C 1.018 176.864 175.900 -0.090 0.000 1.202 458 Y CA 0.692 58.768 58.100 -0.040 0.000 1.878 458 Y CB -2.136 36.296 38.460 -0.047 0.000 1.586 458 Y HN 0.642 nan 8.280 nan 0.000 0.673 459 N N -0.330 118.370 118.700 -0.000 0.000 2.758 459 N HA -0.204 4.535 4.740 -0.001 0.000 0.248 459 N C -0.392 174.975 175.510 -0.239 0.000 1.076 459 N CA 1.435 54.318 53.050 -0.278 0.000 0.696 459 N CB -0.366 37.830 38.487 -0.485 0.000 0.979 459 N HN 0.574 nan 8.380 nan 0.000 0.550 460 K N 0.004 120.510 120.400 0.177 0.000 2.267 460 K HA 0.711 5.031 4.320 -0.001 0.000 0.246 460 K C -0.637 176.189 176.600 0.377 0.000 0.954 460 K CA -0.610 55.824 56.287 0.244 0.000 0.824 460 K CB 3.040 35.602 32.500 0.104 0.000 1.167 460 K HN -0.029 nan 8.250 nan 0.000 0.431 461 V N 0.894 120.954 119.914 0.244 0.000 2.841 461 V HA 0.724 4.843 4.120 -0.001 0.000 0.310 461 V C -1.569 174.487 176.094 -0.064 0.000 1.090 461 V CA -0.540 61.710 62.300 -0.084 0.000 0.930 461 V CB 1.910 33.464 31.823 -0.448 0.000 1.014 461 V HN 0.916 nan 8.190 nan 0.000 0.425 462 A N 6.581 129.291 122.820 -0.183 0.000 2.312 462 A HA 0.890 5.209 4.320 -0.001 0.000 0.326 462 A C -0.811 176.808 177.584 0.059 0.000 1.172 462 A CA -0.572 51.442 52.037 -0.038 0.000 0.821 462 A CB 0.814 19.675 19.000 -0.232 0.000 1.166 462 A HN 0.792 nan 8.150 nan 0.000 0.493 463 I N 1.758 122.481 120.570 0.255 0.000 2.389 463 I HA 0.370 4.539 4.170 -0.001 0.000 0.288 463 I C 0.021 176.382 176.117 0.407 0.000 0.999 463 I CA -0.295 61.154 61.300 0.248 0.000 1.129 463 I CB 1.849 39.849 38.000 0.000 0.000 1.288 463 I HN 0.652 nan 8.210 nan 0.000 0.444 464 K N 5.497 126.127 120.400 0.383 0.000 2.221 464 K HA 0.783 5.103 4.320 -0.001 0.000 0.258 464 K C -1.665 175.060 176.600 0.208 0.000 0.944 464 K CA -0.668 55.706 56.287 0.145 0.000 0.823 464 K CB 2.472 34.960 32.500 -0.020 0.000 1.113 464 K HN 0.387 nan 8.250 nan 0.000 0.431 465 V N 3.410 123.363 119.914 0.065 0.000 2.711 465 V HA 0.508 4.628 4.120 -0.001 0.000 0.304 465 V C -0.036 176.019 176.094 -0.065 0.000 1.097 465 V CA 0.549 62.803 62.300 -0.076 0.000 0.906 465 V CB 1.329 32.972 31.823 -0.300 0.000 1.015 465 V HN 1.006 nan 8.190 nan 0.000 0.427 466 G N 4.463 113.234 108.800 -0.049 0.000 2.249 466 G HA2 0.058 4.018 3.960 -0.001 0.000 0.273 466 G HA3 0.058 4.018 3.960 -0.001 0.000 0.273 466 G C 1.461 176.339 174.900 -0.037 0.000 1.036 466 G CA 1.024 46.101 45.100 -0.038 0.000 0.824 466 G HN 2.656 nan 8.290 nan 0.000 0.504 467 G N -1.876 106.894 108.800 -0.050 0.000 2.184 467 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.264 467 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.264 467 G C 0.351 175.148 174.900 -0.172 0.000 0.975 467 G CA 1.253 46.294 45.100 -0.097 0.000 0.642 467 G HN 1.097 nan 8.290 nan 0.000 0.536 468 R N -1.153 119.246 120.500 -0.167 0.000 2.750 468 R HA 0.622 4.962 4.340 -0.001 0.000 0.281 468 R C -0.759 175.431 176.300 -0.183 0.000 0.972 468 R CA -0.868 55.142 56.100 -0.149 0.000 0.912 468 R CB 1.093 31.389 30.300 -0.007 0.000 1.187 468 R HN 0.154 nan 8.270 nan 0.000 0.464 469 Y N 1.581 121.950 120.300 0.114 0.000 2.301 469 Y HA 0.271 4.821 4.550 -0.001 0.000 0.325 469 Y C 0.528 176.529 175.900 0.169 0.000 1.203 469 Y CA -0.626 57.559 58.100 0.142 0.000 1.255 469 Y CB 0.747 39.272 38.460 0.108 0.000 1.232 469 Y HN 0.187 nan 8.280 nan 0.000 0.501 470 L N 4.244 125.700 121.223 0.389 0.000 2.416 470 L HA 0.310 4.650 4.340 -0.001 0.000 0.272 470 L C -0.196 176.953 176.870 0.465 0.000 1.161 470 L CA -0.230 54.809 54.840 0.332 0.000 0.845 470 L CB 0.397 42.574 42.059 0.196 0.000 1.119 470 L HN 0.704 nan 8.230 nan 0.000 0.464 471 K N 1.116 121.736 120.400 0.367 0.000 2.536 471 K HA 0.641 4.960 4.320 -0.001 0.000 0.269 471 K C -0.484 176.310 176.600 0.323 0.000 0.965 471 K CA -0.951 55.551 56.287 0.358 0.000 0.860 471 K CB 1.605 34.206 32.500 0.169 0.000 1.423 471 K HN 0.492 nan 8.250 nan 0.000 0.438 472 G N 1.608 110.594 108.800 0.310 0.000 2.380 472 G HA2 0.214 4.174 3.960 -0.001 0.000 0.262 472 G HA3 0.214 4.174 3.960 -0.001 0.000 0.262 472 G C -0.362 174.622 174.900 0.140 0.000 1.243 472 G CA -0.217 45.020 45.100 0.228 0.000 0.865 472 G HN 0.777 nan 8.290 nan 0.000 0.513 473 D N 0.321 120.785 120.400 0.106 0.000 2.440 473 D HA -0.005 4.634 4.640 -0.001 0.000 0.269 473 D C 1.635 177.988 176.300 0.089 0.000 1.249 473 D CA -0.394 53.677 54.000 0.117 0.000 1.055 473 D CB 0.060 40.942 40.800 0.135 0.000 1.104 473 D HN 0.528 nan 8.370 nan 0.000 0.561 474 H N -1.344 117.738 119.070 0.020 0.000 2.489 474 H HA 0.039 4.594 4.556 -0.001 0.000 0.293 474 H C 0.966 176.287 175.328 -0.011 0.000 1.066 474 H CA 1.412 57.461 56.048 0.000 0.000 1.305 474 H CB -0.412 29.348 29.762 -0.004 0.000 1.386 474 H HN 0.410 nan 8.280 nan 0.000 0.551 475 A N 0.123 122.546 122.820 -0.661 0.000 2.345 475 A HA 0.454 4.774 4.320 -0.001 0.000 0.225 475 A C 2.044 179.517 177.584 -0.185 0.000 1.243 475 A CA 0.536 52.300 52.037 -0.456 0.000 0.875 475 A CB -0.358 18.355 19.000 -0.477 0.000 0.929 475 A HN 0.714 nan 8.150 nan 0.000 0.502 476 G N -1.266 107.474 108.800 -0.099 0.000 2.176 476 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.253 476 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.253 476 G C 0.255 175.165 174.900 0.015 0.000 0.979 476 G CA 0.148 45.243 45.100 -0.008 0.000 0.641 476 G HN 0.773 nan 8.290 nan 0.000 0.530 477 V N 1.476 121.382 119.914 -0.013 0.000 2.637 477 V HA 0.463 4.583 4.120 -0.001 0.000 0.296 477 V C 0.986 177.089 176.094 0.015 0.000 1.046 477 V CA -0.331 61.963 62.300 -0.010 0.000 1.066 477 V CB 1.571 33.381 31.823 -0.021 0.000 0.968 477 V HN 0.440 nan 8.190 nan 0.000 0.483 478 L N 6.951 128.155 121.223 -0.033 0.000 2.369 478 L HA 0.332 4.672 4.340 -0.001 0.000 0.279 478 L C 0.081 176.931 176.870 -0.034 0.000 1.108 478 L CA 0.736 55.547 54.840 -0.049 0.000 0.852 478 L CB -0.226 41.684 42.059 -0.249 0.000 1.169 478 L HN 0.604 nan 8.230 nan 0.000 0.452 479 K N 4.327 124.754 120.400 0.044 0.000 2.375 479 K HA 0.655 4.974 4.320 -0.001 0.000 0.249 479 K C -0.699 175.957 176.600 0.092 0.000 0.942 479 K CA -0.831 55.487 56.287 0.053 0.000 0.806 479 K CB 1.937 34.475 32.500 0.063 0.000 1.227 479 K HN 0.595 nan 8.250 nan 0.000 0.430 480 A N 1.657 124.529 122.820 0.086 0.000 2.990 480 A HA 0.139 4.458 4.320 -0.001 0.000 0.282 480 A C 0.678 178.314 177.584 0.087 0.000 1.688 480 A CA 0.002 52.103 52.037 0.106 0.000 1.391 480 A CB -0.785 18.271 19.000 0.093 0.000 1.112 480 A HN 0.736 nan 8.150 nan 0.000 0.588 481 S N -0.058 115.707 115.700 0.108 0.000 2.684 481 S HA 0.474 4.944 4.470 -0.001 0.000 0.268 481 S C 0.708 175.371 174.600 0.105 0.000 1.075 481 S CA 0.554 58.807 58.200 0.089 0.000 1.184 481 S CB -0.177 63.072 63.200 0.081 0.000 1.129 481 S HN 1.241 nan 8.310 nan 0.000 0.630 482 A N 1.623 124.534 122.820 0.152 0.000 2.363 482 A HA 0.611 4.930 4.320 -0.001 0.000 0.270 482 A C 0.687 178.404 177.584 0.222 0.000 1.121 482 A CA -0.357 51.787 52.037 0.178 0.000 0.800 482 A CB 0.412 19.534 19.000 0.203 0.000 1.052 482 A HN 0.444 nan 8.150 nan 0.000 0.493 483 E N 0.226 120.532 120.200 0.177 0.000 2.340 483 E HA 0.038 4.387 4.350 -0.001 0.000 0.194 483 E C 0.569 177.332 176.600 0.272 0.000 0.996 483 E CA 1.110 57.619 56.400 0.182 0.000 0.869 483 E CB 0.339 30.102 29.700 0.106 0.000 0.835 483 E HN 0.862 nan 8.360 nan 0.000 0.493 484 T N -3.048 111.635 114.554 0.214 0.000 2.865 484 T HA 0.460 4.810 4.350 -0.001 0.000 0.294 484 T C -0.401 174.227 174.700 -0.120 0.000 1.119 484 T CA -0.962 61.194 62.100 0.093 0.000 1.007 484 T CB 1.820 70.711 68.868 0.038 0.000 1.225 484 T HN -0.234 nan 8.240 nan 0.000 0.515 485 V N 3.060 122.790 119.914 -0.307 0.000 2.368 485 V HA 0.492 4.612 4.120 -0.001 0.000 0.266 485 V C -0.286 175.679 176.094 -0.214 0.000 1.045 485 V CA -0.138 61.919 62.300 -0.405 0.000 0.899 485 V CB -0.273 31.249 31.823 -0.502 0.000 1.006 485 V HN 1.107 nan 8.190 nan 0.000 0.470 486 D N 4.322 124.606 120.400 -0.193 0.000 2.732 486 D HA 0.509 5.149 4.640 -0.001 0.000 0.292 486 D C -2.367 173.809 176.300 -0.206 0.000 1.135 486 D CA -1.650 52.255 54.000 -0.158 0.000 1.071 486 D CB 1.013 41.747 40.800 -0.109 0.000 1.457 486 D HN 0.081 nan 8.370 nan 0.000 0.547 487 P HA -0.191 nan 4.420 nan 0.000 0.218 487 P C 1.216 178.312 177.300 -0.340 0.000 1.154 487 P CA 2.628 65.576 63.100 -0.254 0.000 0.872 487 P CB -0.149 31.425 31.700 -0.210 0.000 0.790 488 A N -0.662 121.999 122.820 -0.266 0.000 2.121 488 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 488 A C 1.816 179.177 177.584 -0.372 0.000 1.154 488 A CA 1.805 53.680 52.037 -0.271 0.000 0.679 488 A CB -0.978 17.956 19.000 -0.111 0.000 0.795 488 A HN 0.353 nan 8.150 nan 0.000 0.458 489 S N -1.551 113.937 115.700 -0.354 0.000 2.754 489 S HA 0.602 5.072 4.470 -0.001 0.000 0.247 489 S C -0.183 174.143 174.600 -0.458 0.000 1.031 489 S CA -0.537 57.492 58.200 -0.285 0.000 1.014 489 S CB -0.345 62.824 63.200 -0.053 0.000 0.918 489 S HN 0.225 nan 8.310 nan 0.000 0.519 490 L N 1.511 122.316 121.223 -0.696 0.000 2.346 490 L HA 0.688 5.028 4.340 -0.001 0.000 0.274 490 L C -1.399 175.007 176.870 -0.773 0.000 1.007 490 L CA -0.776 53.736 54.840 -0.546 0.000 0.818 490 L CB 1.609 43.487 42.059 -0.301 0.000 1.284 490 L HN 0.382 nan 8.230 nan 0.000 0.424 491 W N 1.553 122.860 121.300 0.011 0.000 2.839 491 W HA 0.402 5.062 4.660 -0.001 0.000 0.334 491 W C -0.218 176.400 176.519 0.165 0.000 1.064 491 W CA -0.461 56.948 57.345 0.107 0.000 1.236 491 W CB 1.520 31.070 29.460 0.149 0.000 1.405 491 W HN 0.347 nan 8.180 nan 0.000 0.478 492 E N 3.384 123.785 120.200 0.335 0.000 2.289 492 E HA 0.173 4.523 4.350 -0.001 0.000 0.278 492 E C -0.940 175.785 176.600 0.208 0.000 1.032 492 E CA -0.373 56.110 56.400 0.138 0.000 0.854 492 E CB 0.720 30.442 29.700 0.037 0.000 1.046 492 E HN 0.459 nan 8.360 nan 0.000 0.409 493 Y N 0.000 120.312 120.300 0.019 0.000 2.660 493 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 493 Y CA 0.000 58.063 58.100 -0.062 0.000 1.940 493 Y CB 0.000 38.462 38.460 0.004 0.000 1.050 493 Y HN 0.000 nan 8.280 nan 0.000 0.758