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 3k19_1_K DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGKAVGL HYFSKGNGEN SYGGNGDMTY ARLGFKGETQ DATA SEQUENCE INSDLTGYGQ WEYNFQGNNS EGADAQTGNK TRLAFAGLKY ADVGSFDYGR DATA SEQUENCE NYGVVYDALG YTDMLPEFGG DTAYSDDFFV GRVGGVATYR NSNFFGLVDG DATA SEQUENCE LNFAVQYLGK NERDTARRSN GDGVGGSISY EYEGFGIVGA YGAADRTNLQ DATA SEQUENCE EAQPLGNGKK AEQWATGLKY DANNIYLAAN YGETRNATPI TNKFTNTSGF DATA SEQUENCE ANKTQDVLLV AQYQFDFGLR PSIAYTKSKA KDVEGIGDVD LVNYFEVGAT DATA SEQUENCE YYFNKNMSTY VDYIINQIDS DNKLGVGSDD TVAVGIVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.725 177.584 0.235 0.000 1.274 1 A CA 0.000 52.193 52.037 0.259 0.000 0.836 1 A CB 0.000 19.208 19.000 0.347 0.000 0.831 2 E N 3.072 123.371 120.200 0.165 0.000 2.238 2 E HA 0.255 4.605 4.350 -0.000 0.000 0.264 2 E C 0.734 177.425 176.600 0.152 0.000 1.136 2 E CA 0.070 56.563 56.400 0.156 0.000 0.929 2 E CB 0.110 29.875 29.700 0.109 0.000 1.010 2 E HN 0.689 nan 8.360 nan 0.000 0.440 3 I N 2.414 123.096 120.570 0.186 0.000 3.883 3 I HA 0.270 4.440 4.170 -0.000 0.000 0.326 3 I C -0.366 175.881 176.117 0.217 0.000 1.283 3 I CA -0.365 61.038 61.300 0.172 0.000 1.161 3 I CB 0.135 38.237 38.000 0.170 0.000 1.012 3 I HN 0.368 nan 8.210 nan 0.000 0.421 4 Y N 1.640 121.975 120.300 0.058 0.000 2.519 4 Y HA 0.551 5.102 4.550 0.000 0.000 0.336 4 Y C -1.673 174.252 175.900 0.042 0.000 1.089 4 Y CA -1.132 56.992 58.100 0.040 0.000 1.025 4 Y CB 1.533 40.010 38.460 0.028 0.000 1.318 4 Y HN 0.078 nan 8.280 nan 0.000 0.452 5 N N 4.706 123.088 118.700 -0.529 0.000 3.151 5 N HA 0.233 4.973 4.740 -0.000 0.000 0.219 5 N C -2.343 172.930 175.510 -0.395 0.000 1.434 5 N CA -0.416 52.459 53.050 -0.292 0.000 0.767 5 N CB 0.560 38.989 38.487 -0.097 0.000 1.564 5 N HN 0.550 nan 8.380 nan 0.000 0.612 6 K N 1.509 121.662 120.400 -0.412 0.000 2.525 6 K HA 0.353 4.673 4.320 -0.000 0.000 0.254 6 K C -0.877 175.709 176.600 -0.022 0.000 0.934 6 K CA -0.412 55.738 56.287 -0.229 0.000 0.802 6 K CB 1.458 33.768 32.500 -0.316 0.000 1.295 6 K HN 0.379 nan 8.250 nan 0.000 0.433 7 D N 1.030 121.430 120.400 -0.001 0.000 2.835 7 D HA -0.150 4.490 4.640 -0.000 0.000 0.230 7 D C 0.740 177.074 176.300 0.057 0.000 1.130 7 D CA 1.754 55.778 54.000 0.039 0.000 0.738 7 D CB -1.219 39.619 40.800 0.064 0.000 1.090 7 D HN 1.017 nan 8.370 nan 0.000 0.433 8 G N -0.097 108.730 108.800 0.046 0.000 2.168 8 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.263 8 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.263 8 G C 0.101 175.054 174.900 0.088 0.000 0.977 8 G CA 0.486 45.622 45.100 0.060 0.000 0.659 8 G HN 0.659 nan 8.290 nan 0.000 0.533 9 N N 0.231 119.000 118.700 0.115 0.000 2.483 9 N HA 0.535 5.275 4.740 -0.000 0.000 0.267 9 N C -0.349 175.294 175.510 0.223 0.000 0.998 9 N CA -0.676 52.473 53.050 0.166 0.000 0.918 9 N CB 0.729 39.327 38.487 0.185 0.000 1.215 9 N HN 0.583 nan 8.380 nan 0.000 0.500 10 K N 1.251 121.764 120.400 0.189 0.000 2.244 10 K HA 0.644 4.964 4.320 -0.000 0.000 0.260 10 K C -1.255 175.481 176.600 0.227 0.000 0.951 10 K CA -0.861 55.552 56.287 0.210 0.000 0.826 10 K CB 1.693 34.268 32.500 0.124 0.000 1.108 10 K HN 0.063 nan 8.250 nan 0.000 0.433 11 V N 2.594 122.673 119.914 0.275 0.000 2.384 11 V HA 0.174 4.294 4.120 -0.000 0.000 0.287 11 V C -0.922 175.310 176.094 0.230 0.000 1.020 11 V CA -0.627 61.796 62.300 0.205 0.000 0.850 11 V CB 1.388 33.260 31.823 0.082 0.000 0.987 11 V HN 0.881 nan 8.190 nan 0.000 0.436 12 D N 4.518 125.075 120.400 0.262 0.000 2.392 12 D HA 0.312 4.952 4.640 -0.000 0.000 0.228 12 D C -0.769 175.772 176.300 0.401 0.000 1.074 12 D CA -0.390 53.782 54.000 0.287 0.000 0.838 12 D CB 1.652 42.590 40.800 0.230 0.000 1.067 12 D HN 0.372 nan 8.370 nan 0.000 0.511 13 L N 6.960 128.407 121.223 0.373 0.000 2.270 13 L HA 0.332 4.672 4.340 -0.000 0.000 0.286 13 L C -1.106 176.035 176.870 0.452 0.000 1.059 13 L CA -0.505 54.575 54.840 0.400 0.000 0.839 13 L CB -0.238 42.028 42.059 0.345 0.000 1.221 13 L HN 0.328 nan 8.230 nan 0.000 0.431 14 Y N 3.119 123.491 120.300 0.120 0.000 2.654 14 Y HA 1.039 5.589 4.550 0.000 0.000 0.328 14 Y C 0.453 176.019 175.900 -0.557 0.000 1.174 14 Y CA -0.539 57.393 58.100 -0.280 0.000 1.293 14 Y CB 1.096 39.436 38.460 -0.199 0.000 1.464 14 Y HN 0.693 nan 8.280 nan 0.000 0.559 15 G N 0.194 108.488 108.800 -0.844 0.000 2.341 15 G HA2 0.456 4.416 3.960 -0.000 0.000 0.293 15 G HA3 0.456 4.416 3.960 -0.000 0.000 0.293 15 G C -2.194 172.433 174.900 -0.455 0.000 1.298 15 G CA -0.793 43.955 45.100 -0.587 0.000 0.868 15 G HN 1.132 nan 8.290 nan 0.000 0.540 16 K N -1.907 118.432 120.400 -0.101 0.000 2.639 16 K HA 0.722 5.042 4.320 -0.000 0.000 0.279 16 K C -1.092 175.550 176.600 0.071 0.000 0.976 16 K CA -0.538 55.764 56.287 0.024 0.000 0.861 16 K CB 1.536 34.012 32.500 -0.040 0.000 1.436 16 K HN 1.856 nan 8.250 nan 0.000 0.400 17 A N 1.794 124.695 122.820 0.135 0.000 2.267 17 A HA 0.567 4.887 4.320 -0.000 0.000 0.315 17 A C -0.895 176.659 177.584 -0.049 0.000 1.297 17 A CA -0.740 51.321 52.037 0.040 0.000 0.865 17 A CB 0.937 19.997 19.000 0.099 0.000 1.165 17 A HN 0.376 nan 8.150 nan 0.000 0.513 18 V N 3.155 122.918 119.914 -0.252 0.000 2.293 18 V HA 0.475 4.595 4.120 -0.000 0.000 0.275 18 V C 0.973 176.963 176.094 -0.173 0.000 1.021 18 V CA -0.307 61.828 62.300 -0.276 0.000 0.815 18 V CB 1.177 32.631 31.823 -0.615 0.000 1.025 18 V HN 1.024 nan 8.190 nan 0.000 0.448 19 G N 4.739 113.500 108.800 -0.066 0.000 2.354 19 G HA2 0.483 4.443 3.960 -0.000 0.000 0.266 19 G HA3 0.483 4.443 3.960 -0.000 0.000 0.266 19 G C -0.973 173.926 174.900 -0.002 0.000 1.242 19 G CA 0.041 45.129 45.100 -0.021 0.000 0.923 19 G HN 0.493 nan 8.290 nan 0.000 0.476 20 L N 1.974 123.226 121.223 0.047 0.000 2.434 20 L HA 0.758 5.098 4.340 -0.000 0.000 0.260 20 L C -1.061 175.883 176.870 0.124 0.000 0.983 20 L CA -1.121 53.779 54.840 0.100 0.000 0.820 20 L CB 2.464 44.628 42.059 0.175 0.000 1.361 20 L HN 0.693 nan 8.230 nan 0.000 0.410 21 H N 2.147 121.257 119.070 0.066 0.000 2.954 21 H HA 0.620 5.176 4.556 -0.000 0.000 0.361 21 H C -1.772 173.613 175.328 0.095 0.000 1.122 21 H CA -0.363 55.653 56.048 -0.054 0.000 1.217 21 H CB 1.344 30.977 29.762 -0.215 0.000 1.776 21 H HN 0.467 nan 8.280 nan 0.000 0.533 22 Y N 3.727 123.705 120.300 -0.537 0.000 2.360 22 Y HA 0.357 4.907 4.550 0.000 0.000 0.337 22 Y C -0.857 174.824 175.900 -0.365 0.000 1.039 22 Y CA -1.114 56.849 58.100 -0.228 0.000 1.109 22 Y CB 0.823 39.225 38.460 -0.097 0.000 1.201 22 Y HN 0.498 nan 8.280 nan 0.000 0.458 23 F N 1.706 121.839 119.950 0.304 0.000 2.445 23 F HA 0.586 5.113 4.527 0.000 0.000 0.348 23 F C -0.010 175.894 175.800 0.173 0.000 1.125 23 F CA -0.315 57.829 58.000 0.241 0.000 0.983 23 F CB 1.525 40.648 39.000 0.204 0.000 1.198 23 F HN 0.254 nan 8.300 nan 0.000 0.436 24 S N 1.717 117.592 115.700 0.291 0.000 2.579 24 S HA 0.460 4.930 4.470 -0.000 0.000 0.272 24 S C -0.976 173.725 174.600 0.168 0.000 1.141 24 S CA -1.376 56.946 58.200 0.204 0.000 0.843 24 S CB 2.178 65.467 63.200 0.148 0.000 1.122 24 S HN 0.550 nan 8.310 nan 0.000 0.468 25 K N 0.711 121.191 120.400 0.133 0.000 2.258 25 K HA 0.637 4.957 4.320 -0.000 0.000 0.264 25 K C 0.816 177.468 176.600 0.087 0.000 1.007 25 K CA -0.047 56.305 56.287 0.108 0.000 0.941 25 K CB -0.173 32.381 32.500 0.090 0.000 0.966 25 K HN 0.981 nan 8.250 nan 0.000 0.480 26 G N 1.798 110.644 108.800 0.076 0.000 2.645 26 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.246 26 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.246 26 G C 0.492 175.426 174.900 0.057 0.000 1.322 26 G CA 0.453 45.589 45.100 0.060 0.000 0.898 26 G HN 0.856 nan 8.290 nan 0.000 0.573 27 N N 0.787 119.513 118.700 0.042 0.000 2.184 27 N HA 0.064 4.804 4.740 -0.000 0.000 0.190 27 N C 2.239 177.768 175.510 0.032 0.000 1.011 27 N CA 3.478 56.547 53.050 0.031 0.000 0.867 27 N CB -0.491 38.008 38.487 0.020 0.000 0.993 27 N HN 2.222 nan 8.380 nan 0.000 0.433 28 G N -0.652 108.173 108.800 0.041 0.000 2.175 28 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.244 28 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.244 28 G C 0.685 175.597 174.900 0.021 0.000 0.982 28 G CA 0.555 45.681 45.100 0.043 0.000 0.641 28 G HN 0.543 nan 8.290 nan 0.000 0.527 29 E N 0.278 120.485 120.200 0.012 0.000 2.268 29 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 29 E C 1.808 178.404 176.600 -0.007 0.000 0.995 29 E CA 1.031 57.428 56.400 -0.005 0.000 0.836 29 E CB -0.210 29.487 29.700 -0.005 0.000 0.763 29 E HN 0.611 nan 8.360 nan 0.000 0.491 30 N N 0.434 119.141 118.700 0.011 0.000 2.236 30 N HA -0.021 4.719 4.740 -0.000 0.000 0.196 30 N C 0.089 175.613 175.510 0.022 0.000 1.114 30 N CA 0.143 53.201 53.050 0.014 0.000 0.859 30 N CB 0.479 38.983 38.487 0.029 0.000 0.982 30 N HN 0.074 nan 8.380 nan 0.000 0.493 31 S N -0.799 114.917 115.700 0.026 0.000 2.686 31 S HA 0.042 4.512 4.470 -0.000 0.000 0.270 31 S C 1.033 175.647 174.600 0.023 0.000 1.194 31 S CA -0.660 57.565 58.200 0.042 0.000 0.990 31 S CB 0.505 63.740 63.200 0.060 0.000 1.029 31 S HN 0.274 nan 8.310 nan 0.000 0.560 32 Y N 0.774 121.007 120.300 -0.112 0.000 2.184 32 Y HA 0.223 4.773 4.550 0.000 0.000 0.290 32 Y C 2.014 177.795 175.900 -0.199 0.000 1.129 32 Y CA 1.827 59.816 58.100 -0.184 0.000 1.144 32 Y CB -0.799 37.471 38.460 -0.318 0.000 0.995 32 Y HN 0.735 nan 8.280 nan 0.000 0.513 33 G N -1.041 107.585 108.800 -0.291 0.000 3.079 33 G HA2 0.450 4.410 3.960 -0.000 0.000 0.233 33 G HA3 0.450 4.410 3.960 -0.000 0.000 0.233 33 G C 0.448 175.440 174.900 0.153 0.000 1.062 33 G CA 0.317 45.273 45.100 -0.241 0.000 0.809 33 G HN 0.910 nan 8.290 nan 0.000 0.535 34 G N -0.130 108.730 108.800 0.100 0.000 2.500 34 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.209 34 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.209 34 G C -1.050 173.954 174.900 0.173 0.000 1.283 34 G CA -0.149 45.020 45.100 0.115 0.000 0.960 34 G HN 0.763 nan 8.290 nan 0.000 0.528 35 N N 0.209 118.952 118.700 0.072 0.000 2.493 35 N HA 0.609 5.349 4.740 -0.000 0.000 0.279 35 N C -0.081 175.342 175.510 -0.146 0.000 1.082 35 N CA 0.882 53.942 53.050 0.016 0.000 0.963 35 N CB 1.617 40.134 38.487 0.050 0.000 1.627 35 N HN 2.559 nan 8.380 nan 0.000 0.499 36 G N 2.028 110.586 108.800 -0.403 0.000 2.353 36 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.615 36 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.615 36 G C -1.340 173.051 174.900 -0.849 0.000 1.280 36 G CA -0.801 43.940 45.100 -0.599 0.000 1.000 36 G HN 0.639 nan 8.290 nan 0.000 0.516 37 D N -0.066 120.041 120.400 -0.489 0.000 2.533 37 D HA 0.353 4.993 4.640 -0.000 0.000 0.236 37 D C 1.243 177.376 176.300 -0.279 0.000 1.137 37 D CA 0.383 54.232 54.000 -0.252 0.000 0.867 37 D CB 0.361 41.132 40.800 -0.049 0.000 1.170 37 D HN 0.325 nan 8.370 nan 0.000 0.474 38 M N 2.411 121.874 119.600 -0.229 0.000 2.625 38 M HA 0.074 4.554 4.480 -0.000 0.000 0.396 38 M C -0.150 176.161 176.300 0.018 0.000 1.174 38 M CA -0.305 54.853 55.300 -0.236 0.000 0.898 38 M CB -0.229 32.036 32.600 -0.558 0.000 1.450 38 M HN 0.212 nan 8.290 nan 0.000 0.522 39 T N 2.520 117.099 114.554 0.042 0.000 2.946 39 T HA 0.228 4.578 4.350 -0.000 0.000 0.311 39 T C -0.412 174.402 174.700 0.191 0.000 1.063 39 T CA 0.685 62.839 62.100 0.089 0.000 1.139 39 T CB 0.097 68.989 68.868 0.040 0.000 0.994 39 T HN 0.431 nan 8.240 nan 0.000 0.547 40 Y N -0.822 119.494 120.300 0.026 0.000 2.713 40 Y HA 0.714 5.264 4.550 -0.000 0.000 0.335 40 Y C -1.147 174.804 175.900 0.084 0.000 1.222 40 Y CA -1.776 56.353 58.100 0.048 0.000 1.061 40 Y CB 0.685 39.155 38.460 0.016 0.000 1.314 40 Y HN 0.785 nan 8.280 nan 0.000 0.453 41 A N 2.003 124.936 122.820 0.188 0.000 2.479 41 A HA 0.972 5.292 4.320 -0.000 0.000 0.296 41 A C -1.276 176.479 177.584 0.285 0.000 1.121 41 A CA -1.202 50.905 52.037 0.118 0.000 0.743 41 A CB 1.912 20.995 19.000 0.138 0.000 1.323 41 A HN 0.669 nan 8.150 nan 0.000 0.415 42 R N -0.497 120.113 120.500 0.184 0.000 2.807 42 R HA 0.796 5.136 4.340 -0.000 0.000 0.276 42 R C -1.890 174.461 176.300 0.085 0.000 0.979 42 R CA -0.703 55.483 56.100 0.144 0.000 0.928 42 R CB 1.701 32.043 30.300 0.070 0.000 1.191 42 R HN 0.674 nan 8.270 nan 0.000 0.471 43 L N -0.649 120.571 121.223 -0.005 0.000 2.518 43 L HA 0.810 5.150 4.340 -0.000 0.000 0.257 43 L C -0.748 175.834 176.870 -0.481 0.000 0.980 43 L CA -0.030 54.749 54.840 -0.103 0.000 0.837 43 L CB 2.485 44.682 42.059 0.231 0.000 1.410 43 L HN 0.801 nan 8.230 nan 0.000 0.410 44 G N 1.798 110.249 108.800 -0.582 0.000 2.349 44 G HA2 0.547 4.507 3.960 -0.000 0.000 0.294 44 G HA3 0.547 4.507 3.960 -0.000 0.000 0.294 44 G C -2.151 172.559 174.900 -0.316 0.000 1.380 44 G CA -0.101 44.595 45.100 -0.674 0.000 0.811 44 G HN 1.096 nan 8.290 nan 0.000 0.519 45 F N -0.801 119.216 119.950 0.111 0.000 2.588 45 F HA 0.783 5.310 4.527 -0.000 0.000 0.314 45 F C -0.823 175.184 175.800 0.345 0.000 1.134 45 F CA -1.710 56.466 58.000 0.292 0.000 0.961 45 F CB 1.549 40.688 39.000 0.231 0.000 1.239 45 F HN 0.386 nan 8.300 nan 0.000 0.448 46 K N 3.008 123.748 120.400 0.567 0.000 2.263 46 K HA 0.647 4.967 4.320 -0.000 0.000 0.272 46 K C -0.051 176.779 176.600 0.383 0.000 1.033 46 K CA -0.744 55.761 56.287 0.363 0.000 0.884 46 K CB 1.854 34.460 32.500 0.177 0.000 1.107 46 K HN 0.985 nan 8.250 nan 0.000 0.460 47 G N 2.263 111.303 108.800 0.399 0.000 2.379 47 G HA2 0.322 4.282 3.960 -0.000 0.000 0.327 47 G HA3 0.322 4.282 3.960 -0.000 0.000 0.327 47 G C -1.183 173.873 174.900 0.260 0.000 1.145 47 G CA -0.313 44.958 45.100 0.286 0.000 0.905 47 G HN 0.623 nan 8.290 nan 0.000 0.466 48 E N 0.771 121.097 120.200 0.210 0.000 2.274 48 E HA 0.484 4.834 4.350 -0.000 0.000 0.269 48 E C -1.427 175.273 176.600 0.168 0.000 0.891 48 E CA -0.607 55.917 56.400 0.208 0.000 0.784 48 E CB 2.128 31.929 29.700 0.167 0.000 1.225 48 E HN 0.393 nan 8.360 nan 0.000 0.412 49 T N 3.336 117.990 114.554 0.168 0.000 2.848 49 T HA 0.265 4.615 4.350 -0.000 0.000 0.285 49 T C -1.022 173.756 174.700 0.130 0.000 0.995 49 T CA -0.543 61.637 62.100 0.134 0.000 0.970 49 T CB 1.275 70.211 68.868 0.114 0.000 0.976 49 T HN 0.450 nan 8.240 nan 0.000 0.441 50 Q N 5.031 124.897 119.800 0.109 0.000 2.389 50 Q HA 0.311 4.651 4.340 -0.000 0.000 0.244 50 Q C 1.113 177.168 176.000 0.090 0.000 1.056 50 Q CA -0.285 55.580 55.803 0.102 0.000 0.908 50 Q CB 0.968 29.758 28.738 0.086 0.000 1.273 50 Q HN 0.736 nan 8.270 nan 0.000 0.471 51 I N 1.462 122.088 120.570 0.095 0.000 2.493 51 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 51 I C 0.688 176.848 176.117 0.071 0.000 1.160 51 I CA 1.037 62.382 61.300 0.075 0.000 1.445 51 I CB -0.291 37.749 38.000 0.066 0.000 1.086 51 I HN 0.689 nan 8.210 nan 0.000 0.433 52 N N -2.850 115.903 118.700 0.087 0.000 3.505 52 N HA 0.057 4.797 4.740 -0.000 0.000 0.349 52 N C 0.246 175.814 175.510 0.097 0.000 1.491 52 N CA -0.132 52.969 53.050 0.085 0.000 0.859 52 N CB 0.216 38.753 38.487 0.083 0.000 2.068 52 N HN -0.320 nan 8.380 nan 0.000 0.500 53 S N -0.894 114.863 115.700 0.096 0.000 2.382 53 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 53 S C 0.202 174.867 174.600 0.108 0.000 1.027 53 S CA 1.558 59.811 58.200 0.089 0.000 0.991 53 S CB -0.513 62.732 63.200 0.075 0.000 0.823 53 S HN 0.571 nan 8.310 nan 0.000 0.469 54 D N -0.373 120.125 120.400 0.163 0.000 2.423 54 D HA 0.196 4.836 4.640 -0.000 0.000 0.212 54 D C -0.049 176.442 176.300 0.319 0.000 1.060 54 D CA 0.049 54.171 54.000 0.203 0.000 0.872 54 D CB 0.113 41.051 40.800 0.229 0.000 1.012 54 D HN 0.204 nan 8.370 nan 0.000 0.503 55 L N 1.287 122.682 121.223 0.287 0.000 2.275 55 L HA 0.335 4.675 4.340 -0.000 0.000 0.288 55 L C -0.531 176.452 176.870 0.188 0.000 1.046 55 L CA 0.214 55.204 54.840 0.250 0.000 0.805 55 L CB 1.730 43.865 42.059 0.126 0.000 1.193 55 L HN -0.293 nan 8.230 nan 0.000 0.426 56 T N 3.818 118.502 114.554 0.216 0.000 2.841 56 T HA 0.667 5.017 4.350 -0.000 0.000 0.285 56 T C -0.039 174.830 174.700 0.281 0.000 0.991 56 T CA -0.537 61.696 62.100 0.222 0.000 0.966 56 T CB 1.400 70.396 68.868 0.214 0.000 0.962 56 T HN 0.760 nan 8.240 nan 0.000 0.438 57 G N 2.401 111.338 108.800 0.228 0.000 2.371 57 G HA2 0.679 4.639 3.960 -0.000 0.000 0.326 57 G HA3 0.679 4.639 3.960 -0.000 0.000 0.326 57 G C -1.296 173.772 174.900 0.280 0.000 1.127 57 G CA -0.647 44.565 45.100 0.187 0.000 0.885 57 G HN 0.721 nan 8.290 nan 0.000 0.477 58 Y N -0.695 119.693 120.300 0.147 0.000 2.597 58 Y HA 0.826 5.376 4.550 0.000 0.000 0.340 58 Y C -0.004 175.993 175.900 0.162 0.000 1.097 58 Y CA -1.397 56.795 58.100 0.153 0.000 1.037 58 Y CB 1.515 40.071 38.460 0.160 0.000 1.305 58 Y HN 0.855 nan 8.280 nan 0.000 0.463 59 G N 0.885 109.842 108.800 0.261 0.000 2.690 59 G HA2 0.555 4.515 3.960 -0.000 0.000 0.293 59 G HA3 0.555 4.515 3.960 -0.000 0.000 0.293 59 G C -2.434 172.528 174.900 0.104 0.000 1.399 59 G CA -0.981 44.203 45.100 0.139 0.000 0.890 59 G HN 0.853 nan 8.290 nan 0.000 0.485 60 Q N -0.543 119.090 119.800 -0.279 0.000 2.391 60 Q HA 0.557 4.897 4.340 -0.000 0.000 0.279 60 Q C -2.346 173.316 176.000 -0.562 0.000 1.028 60 Q CA -0.952 54.581 55.803 -0.450 0.000 0.836 60 Q CB 2.976 31.399 28.738 -0.525 0.000 1.414 60 Q HN 0.672 nan 8.270 nan 0.000 0.397 61 W N 3.126 123.864 121.300 -0.938 0.000 3.259 61 W HA 0.511 5.171 4.660 -0.000 0.000 0.331 61 W C -1.969 174.286 176.519 -0.439 0.000 1.144 61 W CA -0.257 56.676 57.345 -0.686 0.000 1.227 61 W CB 1.515 30.492 29.460 -0.805 0.000 1.371 61 W HN 0.660 nan 8.180 nan 0.000 0.491 62 E N 5.528 125.131 120.200 -0.994 0.000 2.260 62 E HA 0.272 4.622 4.350 -0.000 0.000 0.266 62 E C -2.181 173.853 176.600 -0.943 0.000 0.887 62 E CA -0.729 55.146 56.400 -0.876 0.000 0.777 62 E CB 1.748 31.262 29.700 -0.310 0.000 1.205 62 E HN 0.514 nan 8.360 nan 0.000 0.414 63 Y N 3.206 122.830 120.300 -1.127 0.000 2.528 63 Y HA 0.474 5.024 4.550 -0.000 0.000 0.335 63 Y C -0.867 174.724 175.900 -0.516 0.000 1.093 63 Y CA -0.837 56.774 58.100 -0.816 0.000 1.134 63 Y CB 1.783 39.737 38.460 -0.843 0.000 1.253 63 Y HN 0.597 nan 8.280 nan 0.000 0.478 64 N N 2.954 121.143 118.700 -0.852 0.000 2.531 64 N HA 0.328 5.068 4.740 -0.000 0.000 0.268 64 N C -2.205 173.052 175.510 -0.422 0.000 1.023 64 N CA -0.342 52.444 53.050 -0.440 0.000 0.896 64 N CB 0.355 38.603 38.487 -0.399 0.000 1.233 64 N HN 0.372 nan 8.380 nan 0.000 0.512 65 F N 1.907 121.934 119.950 0.130 0.000 2.391 65 F HA 0.357 4.884 4.527 -0.000 0.000 0.359 65 F C 0.778 176.658 175.800 0.132 0.000 1.122 65 F CA -0.688 57.416 58.000 0.174 0.000 1.120 65 F CB 1.104 40.224 39.000 0.199 0.000 1.142 65 F HN 0.221 nan 8.300 nan 0.000 0.483 66 Q N 1.752 121.681 119.800 0.216 0.000 2.373 66 Q HA 0.255 4.595 4.340 -0.000 0.000 0.255 66 Q C 0.935 177.034 176.000 0.166 0.000 0.980 66 Q CA 0.172 56.069 55.803 0.157 0.000 0.882 66 Q CB 1.510 30.280 28.738 0.053 0.000 1.249 66 Q HN 0.954 nan 8.270 nan 0.000 0.438 67 G N 1.346 110.228 108.800 0.136 0.000 3.228 67 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.245 67 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.245 67 G C 0.480 175.412 174.900 0.053 0.000 1.051 67 G CA -0.200 44.956 45.100 0.092 0.000 0.809 67 G HN 0.593 nan 8.290 nan 0.000 0.531 68 N N 0.236 118.958 118.700 0.037 0.000 2.235 68 N HA 0.091 4.831 4.740 -0.000 0.000 0.209 68 N C -0.179 175.330 175.510 -0.001 0.000 1.122 68 N CA -0.513 52.538 53.050 0.003 0.000 0.845 68 N CB -0.037 38.429 38.487 -0.035 0.000 1.004 68 N HN -0.033 nan 8.380 nan 0.000 0.499 69 N N 0.409 119.118 118.700 0.015 0.000 2.476 69 N HA 0.190 4.930 4.740 -0.000 0.000 0.275 69 N C 0.247 175.768 175.510 0.017 0.000 1.190 69 N CA -0.382 52.676 53.050 0.013 0.000 0.977 69 N CB 1.444 39.944 38.487 0.022 0.000 1.200 69 N HN 0.317 nan 8.380 nan 0.000 0.515 70 S N -0.446 115.261 115.700 0.012 0.000 2.652 70 S HA 0.209 4.679 4.470 -0.000 0.000 0.267 70 S C 0.482 175.093 174.600 0.019 0.000 1.201 70 S CA -0.345 57.863 58.200 0.013 0.000 0.996 70 S CB 0.605 63.810 63.200 0.008 0.000 1.054 70 S HN 0.523 nan 8.310 nan 0.000 0.561 71 E N -0.087 120.123 120.200 0.016 0.000 2.444 71 E HA 0.221 4.571 4.350 -0.000 0.000 0.191 71 E C 1.031 177.640 176.600 0.016 0.000 1.041 71 E CA -0.071 56.340 56.400 0.018 0.000 0.883 71 E CB 0.163 29.871 29.700 0.014 0.000 1.024 71 E HN 0.700 nan 8.360 nan 0.000 0.470 72 G N 1.039 109.846 108.800 0.013 0.000 3.137 72 G HA2 0.240 4.200 3.960 -0.000 0.000 0.163 72 G HA3 0.240 4.200 3.960 -0.000 0.000 0.163 72 G C 1.147 176.054 174.900 0.012 0.000 1.602 72 G CA 0.301 45.407 45.100 0.010 0.000 1.067 72 G HN 0.171 nan 8.290 nan 0.000 0.568 73 A N 0.399 123.224 122.820 0.008 0.000 1.933 73 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 73 A C 1.752 179.341 177.584 0.009 0.000 1.175 73 A CA 2.252 54.293 52.037 0.007 0.000 0.628 73 A CB -0.498 18.504 19.000 0.003 0.000 0.814 73 A HN 0.546 nan 8.150 nan 0.000 0.444 74 D N -0.212 120.192 120.400 0.007 0.000 2.370 74 D HA 0.349 4.989 4.640 -0.000 0.000 0.230 74 D C 1.266 177.575 176.300 0.015 0.000 1.143 74 D CA 0.620 54.623 54.000 0.005 0.000 0.834 74 D CB -0.295 40.504 40.800 -0.002 0.000 0.944 74 D HN 0.307 nan 8.370 nan 0.000 0.504 75 A N 0.552 123.387 122.820 0.025 0.000 1.986 75 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 75 A C 2.086 179.704 177.584 0.057 0.000 1.171 75 A CA 1.232 53.294 52.037 0.042 0.000 0.640 75 A CB -0.218 18.810 19.000 0.046 0.000 0.811 75 A HN 0.130 nan 8.150 nan 0.000 0.451 76 Q N -0.462 119.365 119.800 0.045 0.000 2.402 76 Q HA 0.033 4.373 4.340 -0.000 0.000 0.206 76 Q C 0.194 176.206 176.000 0.020 0.000 0.919 76 Q CA 0.412 56.245 55.803 0.050 0.000 0.923 76 Q CB -0.649 28.115 28.738 0.044 0.000 1.048 76 Q HN 0.521 nan 8.270 nan 0.000 0.515 77 T N 1.301 115.857 114.554 0.003 0.000 2.704 77 T HA 0.197 4.546 4.350 -0.000 0.000 0.271 77 T C 1.144 175.820 174.700 -0.041 0.000 1.000 77 T CA 1.212 63.297 62.100 -0.024 0.000 1.216 77 T CB -0.019 68.833 68.868 -0.028 0.000 0.961 77 T HN 0.587 nan 8.240 nan 0.000 0.515 78 G N 4.069 112.826 108.800 -0.072 0.000 2.259 78 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 78 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 78 G C 0.168 174.969 174.900 -0.164 0.000 1.001 78 G CA -0.651 44.382 45.100 -0.112 0.000 0.627 78 G HN 0.624 nan 8.290 nan 0.000 0.501 79 N N 2.017 120.636 118.700 -0.135 0.000 2.492 79 N HA 0.524 5.264 4.740 -0.000 0.000 0.260 79 N C 0.263 175.535 175.510 -0.396 0.000 1.215 79 N CA 0.990 53.887 53.050 -0.256 0.000 0.923 79 N CB 0.840 39.308 38.487 -0.031 0.000 1.092 79 N HN 0.938 nan 8.380 nan 0.000 0.448 80 K N -1.628 118.258 120.400 -0.857 0.000 2.703 80 K HA 0.248 4.568 4.320 -0.000 0.000 0.285 80 K C -1.570 174.414 176.600 -1.027 0.000 1.014 80 K CA -0.811 55.059 56.287 -0.694 0.000 0.858 80 K CB 0.195 32.455 32.500 -0.399 0.000 1.467 80 K HN 0.223 nan 8.250 nan 0.000 0.383 81 T N 2.268 116.547 114.554 -0.458 0.000 2.749 81 T HA 0.229 4.579 4.350 -0.000 0.000 0.295 81 T C 0.942 175.469 174.700 -0.288 0.000 0.936 81 T CA -0.408 61.538 62.100 -0.255 0.000 1.060 81 T CB 0.908 69.854 68.868 0.130 0.000 0.904 81 T HN 0.492 nan 8.240 nan 0.000 0.500 82 R N 2.162 122.449 120.500 -0.354 0.000 2.090 82 R HA 0.300 4.640 4.340 -0.000 0.000 0.219 82 R C 0.192 176.361 176.300 -0.219 0.000 1.100 82 R CA 0.665 56.589 56.100 -0.294 0.000 0.991 82 R CB 0.146 30.273 30.300 -0.289 0.000 0.893 82 R HN 0.445 nan 8.270 nan 0.000 0.443 83 L N -0.725 120.382 121.223 -0.193 0.000 2.388 83 L HA 0.702 5.042 4.340 -0.000 0.000 0.264 83 L C -1.299 175.545 176.870 -0.044 0.000 0.998 83 L CA -1.056 53.750 54.840 -0.057 0.000 0.817 83 L CB 2.456 44.527 42.059 0.020 0.000 1.338 83 L HN -0.007 nan 8.230 nan 0.000 0.414 84 A N 3.133 125.992 122.820 0.066 0.000 2.475 84 A HA 0.653 4.973 4.320 -0.000 0.000 0.300 84 A C -1.257 176.396 177.584 0.115 0.000 1.089 84 A CA -0.400 51.669 52.037 0.054 0.000 0.948 84 A CB 0.240 19.344 19.000 0.173 0.000 1.508 84 A HN 0.626 nan 8.150 nan 0.000 0.385 85 F N -0.456 119.519 119.950 0.042 0.000 2.741 85 F HA 0.962 5.489 4.527 -0.000 0.000 0.313 85 F C -0.350 175.473 175.800 0.040 0.000 1.153 85 F CA -0.774 57.235 58.000 0.014 0.000 0.931 85 F CB 1.006 39.993 39.000 -0.022 0.000 1.335 85 F HN 1.153 nan 8.300 nan 0.000 0.460 86 A N 0.218 123.198 122.820 0.267 0.000 2.539 86 A HA 1.004 5.324 4.320 -0.000 0.000 0.296 86 A C -0.664 176.863 177.584 -0.094 0.000 1.073 86 A CA -0.310 51.759 52.037 0.052 0.000 0.700 86 A CB 1.429 20.450 19.000 0.035 0.000 1.296 86 A HN 2.122 nan 8.150 nan 0.000 0.405 87 G N -0.763 107.696 108.800 -0.568 0.000 2.554 87 G HA2 0.606 4.566 3.960 -0.000 0.000 0.306 87 G HA3 0.606 4.566 3.960 -0.000 0.000 0.306 87 G C -2.031 172.532 174.900 -0.562 0.000 1.320 87 G CA -0.598 44.166 45.100 -0.559 0.000 0.800 87 G HN 0.921 nan 8.290 nan 0.000 0.481 88 L N -0.009 121.232 121.223 0.031 0.000 2.408 88 L HA 0.557 4.897 4.340 -0.000 0.000 0.268 88 L C -0.493 176.655 176.870 0.463 0.000 0.986 88 L CA -0.856 54.144 54.840 0.267 0.000 0.820 88 L CB 2.625 44.801 42.059 0.195 0.000 1.303 88 L HN 0.395 nan 8.230 nan 0.000 0.411 89 K N 2.103 122.772 120.400 0.448 0.000 2.182 89 K HA 0.543 4.863 4.320 -0.000 0.000 0.262 89 K C -1.588 175.220 176.600 0.347 0.000 0.957 89 K CA -0.757 55.727 56.287 0.327 0.000 0.842 89 K CB 2.113 34.736 32.500 0.206 0.000 1.099 89 K HN 0.300 nan 8.250 nan 0.000 0.438 90 Y N 2.333 122.721 120.300 0.147 0.000 2.327 90 Y HA 0.394 4.944 4.550 0.000 0.000 0.325 90 Y C 0.431 176.397 175.900 0.110 0.000 0.999 90 Y CA -0.453 57.723 58.100 0.126 0.000 1.195 90 Y CB 0.532 39.072 38.460 0.133 0.000 1.132 90 Y HN 0.946 nan 8.280 nan 0.000 0.455 91 A N 3.878 126.585 122.820 -0.189 0.000 5.273 91 A HA -0.350 3.970 4.320 -0.000 0.000 0.350 91 A C 0.937 178.445 177.584 -0.127 0.000 1.652 91 A CA 2.389 54.264 52.037 -0.271 0.000 0.709 91 A CB -1.555 17.088 19.000 -0.595 0.000 1.486 91 A HN 0.727 nan 8.150 nan 0.000 0.411 92 D N -0.924 119.403 120.400 -0.122 0.000 2.501 92 D HA 0.384 5.024 4.640 -0.000 0.000 0.224 92 D C 1.324 177.694 176.300 0.116 0.000 1.202 92 D CA 0.710 54.716 54.000 0.010 0.000 0.829 92 D CB 0.365 41.200 40.800 0.058 0.000 1.023 92 D HN 0.268 nan 8.370 nan 0.000 0.499 93 V N -0.214 119.749 119.914 0.082 0.000 2.649 93 V HA 0.280 4.400 4.120 -0.000 0.000 0.248 93 V C 1.412 177.677 176.094 0.285 0.000 1.054 93 V CA 1.029 63.493 62.300 0.274 0.000 1.073 93 V CB -0.285 31.699 31.823 0.269 0.000 0.699 93 V HN 0.370 nan 8.190 nan 0.000 0.463 94 G N 0.238 109.123 108.800 0.142 0.000 2.353 94 G HA2 0.188 4.147 3.960 -0.000 0.000 0.615 94 G HA3 0.188 4.147 3.960 -0.000 0.000 0.615 94 G C -0.499 174.477 174.900 0.127 0.000 1.280 94 G CA -0.223 44.876 45.100 -0.003 0.000 1.000 94 G HN 0.913 nan 8.290 nan 0.000 0.516 95 S N -1.301 114.400 115.700 0.001 0.000 2.599 95 S HA 0.899 5.369 4.470 -0.000 0.000 0.294 95 S C -1.073 173.728 174.600 0.334 0.000 1.094 95 S CA -0.421 57.899 58.200 0.200 0.000 0.931 95 S CB 2.532 65.810 63.200 0.130 0.000 1.093 95 S HN 2.058 nan 8.310 nan 0.000 0.488 96 F N 1.496 121.600 119.950 0.258 0.000 2.588 96 F HA 0.623 5.150 4.527 -0.000 0.000 0.314 96 F C -2.114 173.807 175.800 0.202 0.000 1.134 96 F CA -0.421 57.728 58.000 0.249 0.000 0.961 96 F CB 1.604 40.762 39.000 0.264 0.000 1.239 96 F HN 0.937 nan 8.300 nan 0.000 0.448 97 D N 3.459 123.471 120.400 -0.647 0.000 2.596 97 D HA 0.419 5.059 4.640 -0.000 0.000 0.234 97 D C -2.061 173.919 176.300 -0.533 0.000 1.181 97 D CA -0.558 53.177 54.000 -0.442 0.000 0.856 97 D CB 1.996 42.747 40.800 -0.081 0.000 1.498 97 D HN 0.498 nan 8.370 nan 0.000 0.446 98 Y N 0.039 120.159 120.300 -0.300 0.000 2.524 98 Y HA 0.673 5.223 4.550 -0.000 0.000 0.347 98 Y C 0.184 176.110 175.900 0.043 0.000 1.005 98 Y CA 0.557 58.567 58.100 -0.150 0.000 1.025 98 Y CB 1.942 40.364 38.460 -0.062 0.000 1.275 98 Y HN 1.021 nan 8.280 nan 0.000 0.460 99 G N 3.748 112.057 108.800 -0.818 0.000 2.260 99 G HA2 0.001 3.961 3.960 -0.000 0.000 0.250 99 G HA3 0.001 3.961 3.960 -0.000 0.000 0.250 99 G C -1.664 173.054 174.900 -0.304 0.000 1.340 99 G CA -1.032 43.803 45.100 -0.442 0.000 1.056 99 G HN 0.745 nan 8.290 nan 0.000 0.471 100 R N 1.141 121.597 120.500 -0.074 0.000 2.205 100 R HA 0.530 4.870 4.340 -0.000 0.000 0.342 100 R C -0.477 175.842 176.300 0.032 0.000 1.058 100 R CA -0.356 55.705 56.100 -0.065 0.000 0.904 100 R CB -0.017 30.251 30.300 -0.053 0.000 1.089 100 R HN 0.551 nan 8.270 nan 0.000 0.471 101 N N 2.452 121.093 118.700 -0.097 0.000 2.831 101 N HA 0.211 4.951 4.740 -0.000 0.000 0.276 101 N C -1.481 173.941 175.510 -0.147 0.000 1.416 101 N CA -0.724 52.257 53.050 -0.116 0.000 0.799 101 N CB 0.739 38.982 38.487 -0.406 0.000 1.554 101 N HN 0.275 nan 8.380 nan 0.000 0.541 102 Y N 0.001 120.215 120.300 -0.143 0.000 2.397 102 Y HA 0.325 4.875 4.550 0.000 0.000 0.335 102 Y C 1.568 177.450 175.900 -0.030 0.000 1.213 102 Y CA 0.280 58.308 58.100 -0.119 0.000 1.391 102 Y CB 0.492 38.878 38.460 -0.123 0.000 1.293 102 Y HN 0.447 nan 8.280 nan 0.000 0.557 103 G N 0.833 109.735 108.800 0.170 0.000 2.467 103 G HA2 0.317 4.277 3.960 -0.000 0.000 0.257 103 G HA3 0.317 4.277 3.960 -0.000 0.000 0.257 103 G C 0.902 175.977 174.900 0.292 0.000 1.227 103 G CA -0.294 44.954 45.100 0.247 0.000 0.835 103 G HN 0.759 nan 8.290 nan 0.000 0.556 104 V N 1.353 121.424 119.914 0.261 0.000 2.324 104 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 104 V C 2.609 178.786 176.094 0.139 0.000 1.060 104 V CA 1.834 64.224 62.300 0.150 0.000 1.042 104 V CB -1.117 30.740 31.823 0.057 0.000 0.650 104 V HN 0.405 nan 8.190 nan 0.000 0.450 105 V N -0.603 119.410 119.914 0.166 0.000 3.241 105 V HA -0.186 3.934 4.120 -0.000 0.000 0.269 105 V C 2.245 178.426 176.094 0.145 0.000 1.151 105 V CA 1.950 64.326 62.300 0.128 0.000 1.158 105 V CB -1.364 30.541 31.823 0.136 0.000 0.764 105 V HN 0.705 nan 8.190 nan 0.000 0.508 106 Y N 1.183 121.539 120.300 0.093 0.000 2.457 106 Y HA -0.112 4.438 4.550 0.000 0.000 0.292 106 Y C 2.149 178.056 175.900 0.012 0.000 1.125 106 Y CA 1.020 59.168 58.100 0.081 0.000 1.254 106 Y CB -0.096 38.475 38.460 0.185 0.000 1.012 106 Y HN 0.323 nan 8.280 nan 0.000 0.555 107 D N 0.246 120.652 120.400 0.010 0.000 2.172 107 D HA -0.252 4.388 4.640 -0.000 0.000 0.196 107 D C 2.104 178.247 176.300 -0.262 0.000 0.999 107 D CA 1.569 55.514 54.000 -0.092 0.000 0.856 107 D CB -0.302 40.482 40.800 -0.026 0.000 0.934 107 D HN 0.517 nan 8.370 nan 0.000 0.453 108 A N 0.392 123.054 122.820 -0.262 0.000 1.844 108 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 108 A C 2.377 179.726 177.584 -0.392 0.000 1.221 108 A CA 0.313 52.111 52.037 -0.398 0.000 0.607 108 A CB -0.796 18.082 19.000 -0.202 0.000 0.878 108 A HN 0.158 nan 8.150 nan 0.000 0.451 109 L N 0.135 121.190 121.223 -0.280 0.000 2.189 109 L HA -0.193 4.147 4.340 -0.000 0.000 0.214 109 L C 2.667 179.319 176.870 -0.363 0.000 1.097 109 L CA 0.915 55.612 54.840 -0.239 0.000 0.764 109 L CB -0.855 41.137 42.059 -0.111 0.000 0.900 109 L HN 0.532 nan 8.230 nan 0.000 0.436 110 G N -0.900 107.466 108.800 -0.723 0.000 2.475 110 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.220 110 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.220 110 G C 1.267 176.143 174.900 -0.040 0.000 1.125 110 G CA 0.533 45.246 45.100 -0.645 0.000 0.755 110 G HN 0.237 nan 8.290 nan 0.000 0.565 111 Y N 1.761 121.976 120.300 -0.142 0.000 2.114 111 Y HA -0.174 4.376 4.550 -0.000 0.000 0.282 111 Y C 3.246 179.215 175.900 0.115 0.000 1.165 111 Y CA 1.514 59.631 58.100 0.028 0.000 1.148 111 Y CB -1.012 37.459 38.460 0.019 0.000 0.972 111 Y HN 0.358 nan 8.280 nan 0.000 0.504 112 T N -3.530 111.151 114.554 0.212 0.000 3.086 112 T HA 0.045 4.395 4.350 -0.000 0.000 0.250 112 T C 0.658 175.415 174.700 0.095 0.000 1.074 112 T CA 0.288 62.488 62.100 0.165 0.000 0.988 112 T CB -0.142 68.800 68.868 0.125 0.000 0.988 112 T HN -0.032 nan 8.240 nan 0.000 0.530 113 D N 1.300 121.735 120.400 0.058 0.000 2.767 113 D HA 0.167 4.807 4.640 -0.000 0.000 0.231 113 D C 0.759 177.066 176.300 0.012 0.000 1.105 113 D CA -0.072 53.963 54.000 0.058 0.000 1.024 113 D CB -0.159 40.705 40.800 0.106 0.000 1.123 113 D HN 0.266 nan 8.370 nan 0.000 0.470 114 M N 0.271 119.863 119.600 -0.013 0.000 2.279 114 M HA 0.132 4.612 4.480 -0.000 0.000 0.299 114 M C 0.556 176.806 176.300 -0.083 0.000 0.970 114 M CA -0.116 55.120 55.300 -0.106 0.000 1.065 114 M CB 0.113 32.578 32.600 -0.224 0.000 1.669 114 M HN 0.077 nan 8.290 nan 0.000 0.582 115 L N 1.738 122.946 121.223 -0.023 0.000 2.503 115 L HA -0.035 4.305 4.340 -0.000 0.000 0.287 115 L C -0.975 175.809 176.870 -0.143 0.000 1.252 115 L CA -0.811 54.010 54.840 -0.032 0.000 0.835 115 L CB -0.491 41.594 42.059 0.044 0.000 1.099 115 L HN -0.050 nan 8.230 nan 0.000 0.516 116 P HA -0.170 nan 4.420 nan 0.000 0.216 116 P C 0.827 177.694 177.300 -0.721 0.000 1.150 116 P CA 1.217 64.013 63.100 -0.507 0.000 0.837 116 P CB 0.381 31.820 31.700 -0.435 0.000 0.786 117 E N -2.885 117.013 120.200 -0.503 0.000 3.203 117 E HA 0.148 4.498 4.350 -0.000 0.000 0.200 117 E C 0.784 177.127 176.600 -0.428 0.000 1.089 117 E CA 0.188 56.264 56.400 -0.540 0.000 1.430 117 E CB -0.413 28.837 29.700 -0.751 0.000 1.328 117 E HN -0.089 nan 8.360 nan 0.000 0.580 118 F N 0.776 120.729 119.950 0.005 0.000 2.415 118 F HA 0.657 5.184 4.527 -0.000 0.000 0.220 118 F C 1.596 177.431 175.800 0.059 0.000 0.876 118 F CA 0.251 58.282 58.000 0.053 0.000 1.067 118 F CB -0.724 38.313 39.000 0.063 0.000 2.152 118 F HN 0.224 nan 8.300 nan 0.000 0.651 119 G N -0.929 108.094 108.800 0.371 0.000 2.796 119 G HA2 0.311 4.271 3.960 -0.000 0.000 0.226 119 G HA3 0.311 4.271 3.960 -0.000 0.000 0.226 119 G C 0.566 175.571 174.900 0.175 0.000 1.381 119 G CA -0.124 45.138 45.100 0.270 0.000 0.867 119 G HN 1.925 nan 8.290 nan 0.000 0.552 120 G N -1.167 107.701 108.800 0.112 0.000 2.305 120 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.287 120 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.287 120 G C 0.642 175.538 174.900 -0.007 0.000 1.036 120 G CA 1.344 46.485 45.100 0.070 0.000 0.887 120 G HN 1.321 nan 8.290 nan 0.000 0.505 121 D N -0.410 119.978 120.400 -0.019 0.000 2.178 121 D HA -0.017 4.623 4.640 -0.000 0.000 0.201 121 D C 2.599 178.652 176.300 -0.413 0.000 0.980 121 D CA 1.893 55.822 54.000 -0.118 0.000 0.842 121 D CB -0.036 40.767 40.800 0.006 0.000 0.948 121 D HN 0.627 nan 8.370 nan 0.000 0.472 122 T N -2.472 111.910 114.554 -0.288 0.000 3.188 122 T HA 0.387 4.737 4.350 -0.000 0.000 0.250 122 T C 0.873 175.438 174.700 -0.225 0.000 1.077 122 T CA -0.236 61.686 62.100 -0.297 0.000 0.967 122 T CB 0.201 69.023 68.868 -0.077 0.000 1.006 122 T HN 0.054 nan 8.240 nan 0.000 0.552 123 A N 1.257 123.942 122.820 -0.225 0.000 3.175 123 A HA 0.581 4.901 4.320 -0.000 0.000 0.289 123 A C -0.504 177.024 177.584 -0.094 0.000 1.429 123 A CA -0.911 51.123 52.037 -0.005 0.000 1.155 123 A CB -0.789 18.340 19.000 0.215 0.000 1.169 123 A HN 0.551 nan 8.150 nan 0.000 0.574 124 Y N 0.413 120.730 120.300 0.028 0.000 2.426 124 Y HA 0.243 4.793 4.550 0.000 0.000 0.344 124 Y C 1.269 177.127 175.900 -0.070 0.000 1.256 124 Y CA 0.419 58.506 58.100 -0.023 0.000 1.451 124 Y CB 0.652 39.101 38.460 -0.017 0.000 1.342 124 Y HN 0.423 nan 8.280 nan 0.000 0.600 125 S N 1.389 117.118 115.700 0.048 0.000 2.601 125 S HA 0.057 4.527 4.470 -0.000 0.000 0.271 125 S C -0.178 174.373 174.600 -0.082 0.000 1.305 125 S CA -0.689 57.464 58.200 -0.078 0.000 1.022 125 S CB 0.310 63.433 63.200 -0.129 0.000 0.940 125 S HN 0.770 nan 8.310 nan 0.000 0.525 126 D N 0.984 121.298 120.400 -0.145 0.000 2.737 126 D HA -0.168 4.472 4.640 -0.000 0.000 0.233 126 D C -0.485 175.688 176.300 -0.212 0.000 1.155 126 D CA 0.927 54.816 54.000 -0.184 0.000 0.667 126 D CB -0.771 39.928 40.800 -0.169 0.000 1.060 126 D HN 0.583 nan 8.370 nan 0.000 0.427 127 D N -0.990 119.325 120.400 -0.142 0.000 3.018 127 D HA 0.279 4.919 4.640 -0.000 0.000 0.331 127 D C 0.781 177.071 176.300 -0.018 0.000 1.334 127 D CA -0.609 53.332 54.000 -0.099 0.000 0.900 127 D CB -0.143 40.717 40.800 0.099 0.000 1.059 127 D HN 0.001 nan 8.370 nan 0.000 0.498 128 F N -0.630 119.213 119.950 -0.177 0.000 2.306 128 F HA -0.392 4.135 4.527 0.000 0.000 0.519 128 F C 1.124 176.660 175.800 -0.440 0.000 0.600 128 F CA 1.202 58.961 58.000 -0.402 0.000 0.893 128 F CB -1.367 37.445 39.000 -0.312 0.000 3.425 128 F HN 0.137 nan 8.300 nan 0.000 0.200 129 F N -0.063 120.028 119.950 0.235 0.000 2.721 129 F HA 0.279 4.806 4.527 0.000 0.000 0.301 129 F C 1.664 177.539 175.800 0.127 0.000 1.096 129 F CA 0.652 58.726 58.000 0.123 0.000 1.308 129 F CB -0.062 38.974 39.000 0.060 0.000 1.086 129 F HN 0.174 nan 8.300 nan 0.000 0.587 130 V N -2.630 117.452 119.914 0.280 0.000 3.649 130 V HA 0.631 4.751 4.120 -0.000 0.000 0.275 130 V C 0.776 177.010 176.094 0.233 0.000 1.281 130 V CA 0.821 63.278 62.300 0.260 0.000 1.143 130 V CB -0.577 31.387 31.823 0.235 0.000 0.892 130 V HN 0.141 nan 8.190 nan 0.000 0.441 131 G N -0.271 108.595 108.800 0.109 0.000 2.731 131 G HA2 0.470 4.430 3.960 -0.000 0.000 0.309 131 G HA3 0.470 4.430 3.960 -0.000 0.000 0.309 131 G C -1.221 173.535 174.900 -0.241 0.000 1.273 131 G CA -1.382 43.672 45.100 -0.077 0.000 0.798 131 G HN 0.180 nan 8.290 nan 0.000 0.509 132 R N -0.128 120.093 120.500 -0.466 0.000 2.401 132 R HA 0.427 4.766 4.340 -0.000 0.000 0.299 132 R C -0.106 176.016 176.300 -0.296 0.000 1.064 132 R CA 0.006 55.793 56.100 -0.522 0.000 1.000 132 R CB 0.775 30.691 30.300 -0.640 0.000 0.973 132 R HN 0.535 nan 8.270 nan 0.000 0.438 133 V N -0.605 119.166 119.914 -0.239 0.000 3.040 133 V HA 0.782 4.902 4.120 -0.000 0.000 0.312 133 V C 0.234 176.222 176.094 -0.176 0.000 1.115 133 V CA -1.149 61.032 62.300 -0.197 0.000 0.998 133 V CB 1.980 33.688 31.823 -0.193 0.000 1.042 133 V HN 0.759 nan 8.190 nan 0.000 0.433 134 G N 0.190 108.895 108.800 -0.159 0.000 2.400 134 G HA2 0.584 4.544 3.960 -0.000 0.000 0.301 134 G HA3 0.584 4.544 3.960 -0.000 0.000 0.301 134 G C 0.780 175.592 174.900 -0.147 0.000 1.154 134 G CA -0.163 44.850 45.100 -0.144 0.000 0.852 134 G HN 2.445 nan 8.290 nan 0.000 0.511 135 G N -0.896 107.769 108.800 -0.225 0.000 2.351 135 G HA2 0.133 4.093 3.960 -0.000 0.000 0.297 135 G HA3 0.133 4.093 3.960 -0.000 0.000 0.297 135 G C 0.049 174.880 174.900 -0.115 0.000 1.054 135 G CA 0.296 45.254 45.100 -0.236 0.000 1.123 135 G HN 1.909 nan 8.290 nan 0.000 0.512 136 V N -2.116 117.656 119.914 -0.235 0.000 2.448 136 V HA 0.930 5.050 4.120 -0.000 0.000 0.295 136 V C 0.398 176.522 176.094 0.050 0.000 1.025 136 V CA -0.789 61.507 62.300 -0.006 0.000 0.859 136 V CB 1.739 33.553 31.823 -0.015 0.000 0.988 136 V HN 1.717 nan 8.190 nan 0.000 0.431 137 A N 3.546 126.560 122.820 0.323 0.000 2.276 137 A HA 0.754 5.074 4.320 -0.000 0.000 0.300 137 A C 0.366 178.086 177.584 0.228 0.000 1.235 137 A CA -0.320 51.904 52.037 0.311 0.000 0.867 137 A CB 0.292 19.605 19.000 0.522 0.000 1.137 137 A HN 0.983 nan 8.150 nan 0.000 0.527 138 T N 2.747 117.282 114.554 -0.031 0.000 2.791 138 T HA 0.414 4.764 4.350 -0.000 0.000 0.288 138 T C -0.995 173.787 174.700 0.136 0.000 0.999 138 T CA -0.070 62.063 62.100 0.055 0.000 0.952 138 T CB 0.492 69.322 68.868 -0.063 0.000 0.938 138 T HN 0.508 nan 8.240 nan 0.000 0.444 139 Y N 3.695 124.111 120.300 0.194 0.000 2.330 139 Y HA 0.641 5.191 4.550 -0.000 0.000 0.336 139 Y C -0.091 175.804 175.900 -0.009 0.000 1.036 139 Y CA -1.092 57.127 58.100 0.199 0.000 1.125 139 Y CB 0.810 39.443 38.460 0.290 0.000 1.194 139 Y HN 0.520 nan 8.280 nan 0.000 0.469 140 R N 4.653 124.647 120.500 -0.842 0.000 2.750 140 R HA 0.389 4.729 4.340 -0.000 0.000 0.281 140 R C -1.435 174.169 176.300 -1.160 0.000 0.972 140 R CA -1.116 54.472 56.100 -0.853 0.000 0.912 140 R CB 1.995 32.049 30.300 -0.410 0.000 1.187 140 R HN 0.733 nan 8.270 nan 0.000 0.464 141 N N 0.613 118.652 118.700 -1.102 0.000 2.352 141 N HA 0.223 4.963 4.740 -0.000 0.000 0.291 141 N C -1.509 173.693 175.510 -0.513 0.000 1.040 141 N CA -0.217 52.276 53.050 -0.929 0.000 0.864 141 N CB 2.153 39.827 38.487 -1.355 0.000 1.440 141 N HN 0.394 nan 8.380 nan 0.000 0.483 142 S N 2.133 117.645 115.700 -0.315 0.000 2.462 142 S HA 0.303 4.773 4.470 -0.000 0.000 0.294 142 S C -0.116 174.455 174.600 -0.048 0.000 1.144 142 S CA -0.514 57.599 58.200 -0.144 0.000 1.088 142 S CB 0.503 63.638 63.200 -0.109 0.000 1.009 142 S HN 0.697 nan 8.310 nan 0.000 0.484 143 N N 1.926 120.654 118.700 0.046 0.000 2.714 143 N HA -0.217 4.523 4.740 -0.000 0.000 0.253 143 N C -0.155 175.507 175.510 0.253 0.000 1.024 143 N CA 0.440 53.575 53.050 0.142 0.000 0.726 143 N CB -1.628 36.920 38.487 0.103 0.000 0.908 143 N HN 0.822 nan 8.380 nan 0.000 0.542 144 F N 0.194 120.210 119.950 0.110 0.000 2.667 144 F HA -0.347 4.180 4.527 0.000 0.000 0.195 144 F C 0.110 176.083 175.800 0.289 0.000 1.054 144 F CA 1.454 59.559 58.000 0.176 0.000 0.827 144 F CB -1.415 37.740 39.000 0.258 0.000 0.671 144 F HN 0.343 nan 8.300 nan 0.000 0.845 145 F N -0.648 119.337 119.950 0.058 0.000 2.844 145 F HA -0.177 4.350 4.527 -0.000 0.000 0.288 145 F C 1.460 177.306 175.800 0.076 0.000 0.732 145 F CA 0.993 59.008 58.000 0.024 0.000 1.378 145 F CB -1.586 37.393 39.000 -0.035 0.000 1.597 145 F HN 0.831 nan 8.300 nan 0.000 0.376 146 G N -0.360 108.563 108.800 0.205 0.000 2.162 146 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 146 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 146 G C 0.883 175.901 174.900 0.197 0.000 0.976 146 G CA 0.387 45.583 45.100 0.161 0.000 0.655 146 G HN 0.537 nan 8.290 nan 0.000 0.533 147 L N -0.777 120.624 121.223 0.297 0.000 2.249 147 L HA 0.255 4.595 4.340 -0.000 0.000 0.207 147 L C 0.785 177.792 176.870 0.228 0.000 1.090 147 L CA 0.801 55.808 54.840 0.278 0.000 0.802 147 L CB 0.107 42.400 42.059 0.390 0.000 0.947 147 L HN 0.148 nan 8.230 nan 0.000 0.453 148 V N -0.159 119.919 119.914 0.272 0.000 2.483 148 V HA 0.267 4.387 4.120 -0.000 0.000 0.297 148 V C -0.909 175.314 176.094 0.215 0.000 1.027 148 V CA -0.982 61.447 62.300 0.215 0.000 0.855 148 V CB 1.847 33.785 31.823 0.191 0.000 0.995 148 V HN -0.027 nan 8.190 nan 0.000 0.424 149 D N 3.396 123.904 120.400 0.179 0.000 2.390 149 D HA 0.452 5.092 4.640 -0.000 0.000 0.249 149 D C 1.222 177.584 176.300 0.104 0.000 1.144 149 D CA 1.767 55.847 54.000 0.133 0.000 0.880 149 D CB 1.485 42.354 40.800 0.115 0.000 1.182 149 D HN 0.997 nan 8.370 nan 0.000 0.451 150 G N 1.981 110.783 108.800 0.003 0.000 2.179 150 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 150 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 150 G C 0.176 175.000 174.900 -0.126 0.000 0.977 150 G CA 0.190 45.181 45.100 -0.182 0.000 0.641 150 G HN 0.475 nan 8.290 nan 0.000 0.533 151 L N 2.004 123.321 121.223 0.158 0.000 2.264 151 L HA 0.647 4.987 4.340 -0.000 0.000 0.287 151 L C -0.546 176.482 176.870 0.263 0.000 1.039 151 L CA -1.076 53.962 54.840 0.329 0.000 0.829 151 L CB 0.585 42.892 42.059 0.414 0.000 1.211 151 L HN 0.183 nan 8.230 nan 0.000 0.427 152 N N 5.236 124.064 118.700 0.214 0.000 2.269 152 N HA 0.584 5.324 4.740 -0.000 0.000 0.304 152 N C -1.032 174.623 175.510 0.242 0.000 1.072 152 N CA -0.246 52.890 53.050 0.143 0.000 0.802 152 N CB 2.187 40.683 38.487 0.015 0.000 1.348 152 N HN 0.477 nan 8.380 nan 0.000 0.484 153 F N -0.856 119.090 119.950 -0.007 0.000 2.650 153 F HA 0.939 5.466 4.527 -0.000 0.000 0.320 153 F C -1.336 174.435 175.800 -0.048 0.000 1.091 153 F CA -1.342 56.665 58.000 0.011 0.000 0.962 153 F CB 1.338 40.383 39.000 0.074 0.000 1.363 153 F HN 0.506 nan 8.300 nan 0.000 0.482 154 A N 1.416 124.244 122.820 0.014 0.000 2.513 154 A HA 0.638 4.958 4.320 -0.000 0.000 0.296 154 A C -2.161 175.498 177.584 0.126 0.000 1.052 154 A CA -0.515 51.467 52.037 -0.092 0.000 0.714 154 A CB 1.236 20.172 19.000 -0.107 0.000 1.279 154 A HN 1.646 nan 8.150 nan 0.000 0.397 155 V N 2.080 122.115 119.914 0.202 0.000 2.581 155 V HA 0.828 4.948 4.120 -0.000 0.000 0.303 155 V C -0.468 175.706 176.094 0.133 0.000 1.041 155 V CA -0.266 62.135 62.300 0.168 0.000 0.907 155 V CB 1.615 33.579 31.823 0.235 0.000 0.994 155 V HN 1.036 nan 8.190 nan 0.000 0.442 156 Q N 4.381 124.168 119.800 -0.022 0.000 2.289 156 Q HA 0.472 4.812 4.340 -0.000 0.000 0.270 156 Q C -2.251 173.739 176.000 -0.016 0.000 1.038 156 Q CA -0.637 55.219 55.803 0.089 0.000 0.812 156 Q CB 2.336 31.165 28.738 0.152 0.000 1.300 156 Q HN 0.823 nan 8.270 nan 0.000 0.427 157 Y N 2.492 122.948 120.300 0.260 0.000 2.331 157 Y HA 0.430 4.980 4.550 -0.000 0.000 0.338 157 Y C -0.436 175.614 175.900 0.251 0.000 0.992 157 Y CA -0.961 57.295 58.100 0.259 0.000 1.121 157 Y CB 1.458 40.053 38.460 0.224 0.000 1.184 157 Y HN 0.486 nan 8.280 nan 0.000 0.469 158 L N 4.067 125.505 121.223 0.358 0.000 2.276 158 L HA 0.659 4.999 4.340 -0.000 0.000 0.286 158 L C 0.438 177.407 176.870 0.166 0.000 1.024 158 L CA -0.210 54.743 54.840 0.189 0.000 0.826 158 L CB 0.389 42.440 42.059 -0.014 0.000 1.211 158 L HN 0.744 nan 8.230 nan 0.000 0.422 159 G N 3.671 112.570 108.800 0.164 0.000 2.554 159 G HA2 0.079 4.039 3.960 -0.000 0.000 0.238 159 G HA3 0.079 4.039 3.960 -0.000 0.000 0.238 159 G C -0.401 174.545 174.900 0.077 0.000 1.259 159 G CA -0.577 44.610 45.100 0.144 0.000 0.843 159 G HN 0.860 nan 8.290 nan 0.000 0.582 160 K N 1.092 121.536 120.400 0.073 0.000 2.447 160 K HA 0.030 4.350 4.320 -0.000 0.000 0.281 160 K C -0.591 176.018 176.600 0.016 0.000 1.031 160 K CA 0.011 56.323 56.287 0.042 0.000 1.019 160 K CB 0.203 32.731 32.500 0.046 0.000 0.918 160 K HN 0.379 nan 8.250 nan 0.000 0.476 161 N N 4.662 123.350 118.700 -0.020 0.000 2.682 161 N HA 0.092 4.832 4.740 -0.000 0.000 0.252 161 N C -1.481 174.001 175.510 -0.046 0.000 1.081 161 N CA -0.418 52.608 53.050 -0.040 0.000 0.844 161 N CB 1.571 40.011 38.487 -0.078 0.000 1.167 161 N HN 0.612 nan 8.380 nan 0.000 0.523 162 E N 2.040 122.226 120.200 -0.023 0.000 1.932 162 E HA 0.190 4.540 4.350 -0.000 0.000 0.259 162 E C 0.193 176.779 176.600 -0.023 0.000 1.099 162 E CA -0.193 56.196 56.400 -0.020 0.000 0.970 162 E CB 1.076 30.773 29.700 -0.005 0.000 1.143 162 E HN 0.254 nan 8.360 nan 0.000 0.441 163 R N 1.035 121.514 120.500 -0.036 0.000 2.519 163 R HA 0.186 4.526 4.340 -0.000 0.000 0.244 163 R C 0.694 176.977 176.300 -0.027 0.000 1.241 163 R CA -0.791 55.288 56.100 -0.035 0.000 1.120 163 R CB 0.527 30.796 30.300 -0.052 0.000 1.333 163 R HN 0.267 nan 8.270 nan 0.000 0.587 164 D N 0.399 120.782 120.400 -0.029 0.000 2.149 164 D HA -0.053 4.587 4.640 -0.000 0.000 0.201 164 D C 0.232 176.516 176.300 -0.025 0.000 0.972 164 D CA 1.387 55.373 54.000 -0.024 0.000 0.835 164 D CB 0.014 40.799 40.800 -0.025 0.000 0.966 164 D HN 0.363 nan 8.370 nan 0.000 0.476 165 T N 0.074 114.607 114.554 -0.035 0.000 2.922 165 T HA 0.429 4.779 4.350 -0.000 0.000 0.285 165 T C 1.213 175.900 174.700 -0.021 0.000 1.005 165 T CA -0.276 61.802 62.100 -0.038 0.000 1.061 165 T CB 2.058 70.891 68.868 -0.059 0.000 1.007 165 T HN -0.044 nan 8.240 nan 0.000 0.502 166 A N 2.079 124.896 122.820 -0.005 0.000 1.929 166 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 166 A C 2.212 179.854 177.584 0.096 0.000 1.176 166 A CA 1.185 53.261 52.037 0.065 0.000 0.628 166 A CB -0.453 18.599 19.000 0.086 0.000 0.816 166 A HN 0.668 nan 8.150 nan 0.000 0.444 167 R N 0.022 120.499 120.500 -0.038 0.000 2.120 167 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 167 R C 1.315 177.572 176.300 -0.073 0.000 1.123 167 R CA 1.438 57.475 56.100 -0.104 0.000 0.975 167 R CB -0.212 29.979 30.300 -0.183 0.000 0.866 167 R HN 0.311 nan 8.270 nan 0.000 0.446 168 R N 0.016 120.465 120.500 -0.085 0.000 2.468 168 R HA 0.325 4.665 4.340 -0.000 0.000 0.280 168 R C -0.155 176.055 176.300 -0.150 0.000 0.963 168 R CA 0.003 56.029 56.100 -0.124 0.000 1.083 168 R CB 0.555 30.791 30.300 -0.107 0.000 1.200 168 R HN 0.063 nan 8.270 nan 0.000 0.541 169 S N 1.843 117.460 115.700 -0.139 0.000 2.758 169 S HA 0.507 4.977 4.470 -0.000 0.000 0.292 169 S C -0.063 174.349 174.600 -0.312 0.000 1.131 169 S CA -0.672 57.434 58.200 -0.156 0.000 0.997 169 S CB 1.635 64.795 63.200 -0.067 0.000 1.111 169 S HN 0.469 nan 8.310 nan 0.000 0.552 170 N N -0.593 117.974 118.700 -0.221 0.000 3.997 170 N HA 0.159 4.899 4.740 -0.000 0.000 0.209 170 N C -0.587 174.920 175.510 -0.005 0.000 1.108 170 N CA -0.736 52.186 53.050 -0.212 0.000 1.020 170 N CB 0.440 38.626 38.487 -0.500 0.000 1.628 170 N HN 0.656 nan 8.380 nan 0.000 0.588 171 G N 0.305 109.178 108.800 0.122 0.000 2.509 171 G HA2 0.294 4.254 3.960 -0.000 0.000 0.269 171 G HA3 0.294 4.254 3.960 -0.000 0.000 0.269 171 G C -0.525 174.437 174.900 0.104 0.000 1.416 171 G CA -0.363 44.791 45.100 0.090 0.000 1.052 171 G HN 0.668 nan 8.290 nan 0.000 0.542 172 D N -0.138 120.323 120.400 0.101 0.000 2.345 172 D HA 0.503 5.143 4.640 -0.000 0.000 0.247 172 D C 0.362 176.755 176.300 0.155 0.000 1.108 172 D CA 0.652 54.729 54.000 0.128 0.000 0.894 172 D CB 1.488 42.362 40.800 0.123 0.000 1.203 172 D HN 0.586 nan 8.370 nan 0.000 0.430 173 G N -0.219 108.710 108.800 0.215 0.000 2.673 173 G HA2 0.489 4.449 3.960 -0.000 0.000 0.292 173 G HA3 0.489 4.449 3.960 -0.000 0.000 0.292 173 G C -1.238 173.883 174.900 0.370 0.000 1.450 173 G CA -0.447 44.829 45.100 0.293 0.000 0.837 173 G HN 0.322 nan 8.290 nan 0.000 0.505 174 V N -0.578 119.473 119.914 0.228 0.000 3.103 174 V HA 1.034 5.154 4.120 -0.000 0.000 0.318 174 V C 0.761 176.703 176.094 -0.253 0.000 1.114 174 V CA 0.277 62.575 62.300 -0.004 0.000 1.020 174 V CB 1.898 33.648 31.823 -0.122 0.000 1.085 174 V HN 1.591 nan 8.190 nan 0.000 0.446 175 G N -0.511 108.073 108.800 -0.360 0.000 2.576 175 G HA2 0.730 4.690 3.960 -0.000 0.000 0.290 175 G HA3 0.730 4.690 3.960 -0.000 0.000 0.290 175 G C -0.840 173.930 174.900 -0.217 0.000 1.442 175 G CA 0.086 44.874 45.100 -0.520 0.000 0.792 175 G HN 1.202 nan 8.290 nan 0.000 0.491 176 G N -1.247 107.484 108.800 -0.116 0.000 2.600 176 G HA2 0.899 4.859 3.960 -0.000 0.000 0.293 176 G HA3 0.899 4.859 3.960 -0.000 0.000 0.293 176 G C -0.832 174.100 174.900 0.054 0.000 1.408 176 G CA 0.451 45.562 45.100 0.017 0.000 0.782 176 G HN 1.974 nan 8.290 nan 0.000 0.482 177 S N -1.077 114.685 115.700 0.104 0.000 2.543 177 S HA 0.675 5.145 4.470 -0.000 0.000 0.273 177 S C -1.274 173.419 174.600 0.155 0.000 1.152 177 S CA -0.733 57.528 58.200 0.100 0.000 0.910 177 S CB 1.341 64.576 63.200 0.058 0.000 1.105 177 S HN 0.760 nan 8.310 nan 0.000 0.465 178 I N 3.017 123.672 120.570 0.142 0.000 2.418 178 I HA 0.569 4.739 4.170 -0.000 0.000 0.287 178 I C -0.172 176.033 176.117 0.147 0.000 1.008 178 I CA -0.519 60.888 61.300 0.179 0.000 1.104 178 I CB 2.081 40.171 38.000 0.151 0.000 1.264 178 I HN 0.861 nan 8.210 nan 0.000 0.438 179 S N 6.141 121.941 115.700 0.167 0.000 2.532 179 S HA 0.570 5.040 4.470 -0.000 0.000 0.299 179 S C -1.302 173.437 174.600 0.232 0.000 1.105 179 S CA -0.639 57.662 58.200 0.168 0.000 1.018 179 S CB 1.653 64.923 63.200 0.117 0.000 1.021 179 S HN 0.519 nan 8.310 nan 0.000 0.483 180 Y N 1.901 122.279 120.300 0.130 0.000 2.341 180 Y HA 0.574 5.124 4.550 -0.000 0.000 0.338 180 Y C -0.666 175.333 175.900 0.165 0.000 0.965 180 Y CA -0.520 57.660 58.100 0.133 0.000 1.108 180 Y CB 1.558 40.080 38.460 0.105 0.000 1.180 180 Y HN 0.831 nan 8.280 nan 0.000 0.458 181 E N 5.972 125.903 120.200 -0.449 0.000 2.224 181 E HA 0.196 4.546 4.350 -0.000 0.000 0.265 181 E C -2.139 174.250 176.600 -0.351 0.000 0.878 181 E CA -0.984 55.279 56.400 -0.229 0.000 0.759 181 E CB 2.552 32.188 29.700 -0.106 0.000 1.164 181 E HN 0.611 nan 8.360 nan 0.000 0.414 182 Y N 2.762 122.964 120.300 -0.164 0.000 2.445 182 Y HA 0.145 4.695 4.550 -0.000 0.000 0.332 182 Y C -0.619 175.361 175.900 0.134 0.000 1.037 182 Y CA -0.597 57.481 58.100 -0.035 0.000 1.296 182 Y CB 0.634 39.187 38.460 0.155 0.000 1.099 182 Y HN 0.752 nan 8.280 nan 0.000 0.496 183 E N 4.798 124.787 120.200 -0.353 0.000 2.689 183 E HA -0.202 4.148 4.350 -0.000 0.000 0.165 183 E C 0.941 177.539 176.600 -0.003 0.000 1.609 183 E CA 1.109 57.325 56.400 -0.308 0.000 0.674 183 E CB -1.080 28.241 29.700 -0.631 0.000 1.103 183 E HN 1.480 nan 8.360 nan 0.000 0.373 184 G N 1.623 110.338 108.800 -0.141 0.000 2.304 184 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.252 184 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.252 184 G C 0.068 174.696 174.900 -0.453 0.000 1.014 184 G CA 0.476 45.340 45.100 -0.392 0.000 0.619 184 G HN 0.407 nan 8.290 nan 0.000 0.525 185 F N 0.912 120.861 119.950 -0.003 0.000 2.470 185 F HA 0.663 5.190 4.527 -0.000 0.000 0.329 185 F C 0.840 176.659 175.800 0.031 0.000 1.072 185 F CA 0.046 58.093 58.000 0.080 0.000 0.989 185 F CB 2.319 41.437 39.000 0.197 0.000 1.193 185 F HN 0.327 nan 8.300 nan 0.000 0.481 186 G N 2.543 111.476 108.800 0.223 0.000 2.753 186 G HA2 0.596 4.556 3.960 -0.000 0.000 0.295 186 G HA3 0.596 4.556 3.960 -0.000 0.000 0.295 186 G C -2.146 172.972 174.900 0.364 0.000 1.437 186 G CA -0.468 44.763 45.100 0.218 0.000 1.094 186 G HN 0.683 nan 8.290 nan 0.000 0.540 187 I N 2.085 122.874 120.570 0.364 0.000 2.509 187 I HA 0.724 4.894 4.170 -0.000 0.000 0.293 187 I C -0.971 175.282 176.117 0.226 0.000 1.020 187 I CA -1.033 60.454 61.300 0.310 0.000 1.088 187 I CB 2.150 40.297 38.000 0.245 0.000 1.267 187 I HN 0.277 nan 8.210 nan 0.000 0.430 188 V N 5.414 125.383 119.914 0.092 0.000 2.841 188 V HA 0.777 4.897 4.120 -0.000 0.000 0.310 188 V C -0.009 176.085 176.094 0.000 0.000 1.090 188 V CA -0.565 61.719 62.300 -0.027 0.000 0.930 188 V CB 1.683 33.313 31.823 -0.322 0.000 1.014 188 V HN 0.864 nan 8.190 nan 0.000 0.425 189 G N 1.705 110.530 108.800 0.043 0.000 2.643 189 G HA2 0.844 4.804 3.960 -0.000 0.000 0.305 189 G HA3 0.844 4.804 3.960 -0.000 0.000 0.305 189 G C -0.954 174.002 174.900 0.093 0.000 1.387 189 G CA -0.236 44.917 45.100 0.088 0.000 0.982 189 G HN 1.250 nan 8.290 nan 0.000 0.501 190 A N 1.398 124.302 122.820 0.141 0.000 2.486 190 A HA 0.863 5.183 4.320 -0.000 0.000 0.300 190 A C -1.887 175.840 177.584 0.237 0.000 1.048 190 A CA -0.719 51.397 52.037 0.132 0.000 0.696 190 A CB 1.869 20.909 19.000 0.066 0.000 1.278 190 A HN 1.449 nan 8.150 nan 0.000 0.405 191 Y N 0.337 120.639 120.300 0.003 0.000 2.581 191 Y HA 0.645 5.195 4.550 0.000 0.000 0.337 191 Y C -0.164 175.597 175.900 -0.231 0.000 1.108 191 Y CA 0.168 58.263 58.100 -0.009 0.000 1.033 191 Y CB 2.050 40.513 38.460 0.004 0.000 1.318 191 Y HN 1.368 nan 8.280 nan 0.000 0.459 192 G N 1.862 109.961 108.800 -1.170 0.000 2.702 192 G HA2 0.719 4.679 3.960 -0.000 0.000 0.296 192 G HA3 0.719 4.679 3.960 -0.000 0.000 0.296 192 G C -2.301 172.065 174.900 -0.891 0.000 1.463 192 G CA -0.262 44.084 45.100 -1.255 0.000 0.890 192 G HN 1.093 nan 8.290 nan 0.000 0.534 193 A N -0.233 122.355 122.820 -0.387 0.000 2.475 193 A HA 1.091 5.411 4.320 -0.000 0.000 0.301 193 A C -0.241 177.422 177.584 0.131 0.000 1.059 193 A CA -0.014 51.964 52.037 -0.098 0.000 0.710 193 A CB 1.840 20.805 19.000 -0.057 0.000 1.288 193 A HN 2.477 nan 8.150 nan 0.000 0.408 194 A N 1.078 123.891 122.820 -0.012 0.000 2.587 194 A HA 0.707 5.027 4.320 -0.000 0.000 0.293 194 A C -1.461 176.086 177.584 -0.063 0.000 1.087 194 A CA -0.684 51.363 52.037 0.017 0.000 0.692 194 A CB 0.934 19.965 19.000 0.052 0.000 1.291 194 A HN 0.702 nan 8.150 nan 0.000 0.407 195 D N 1.241 121.657 120.400 0.027 0.000 2.382 195 D HA 0.315 4.955 4.640 -0.000 0.000 0.245 195 D C 0.076 176.404 176.300 0.047 0.000 1.120 195 D CA 0.467 54.480 54.000 0.020 0.000 0.890 195 D CB 0.655 41.482 40.800 0.045 0.000 1.201 195 D HN 0.418 nan 8.370 nan 0.000 0.433 196 R N 0.533 121.036 120.500 0.006 0.000 2.404 196 R HA 0.335 4.675 4.340 -0.000 0.000 0.291 196 R C 0.570 176.886 176.300 0.026 0.000 1.025 196 R CA -0.660 55.457 56.100 0.028 0.000 0.991 196 R CB 0.781 31.043 30.300 -0.063 0.000 1.053 196 R HN 0.426 nan 8.270 nan 0.000 0.479 197 T N -0.574 113.998 114.554 0.030 0.000 2.766 197 T HA 0.044 4.394 4.350 -0.000 0.000 0.295 197 T C 1.109 175.821 174.700 0.020 0.000 1.024 197 T CA -0.790 61.324 62.100 0.022 0.000 1.018 197 T CB 0.592 69.468 68.868 0.014 0.000 1.002 197 T HN 0.413 nan 8.240 nan 0.000 0.532 198 N N 0.101 118.813 118.700 0.020 0.000 2.069 198 N HA -0.098 4.642 4.740 -0.000 0.000 0.191 198 N C 1.684 177.211 175.510 0.028 0.000 1.031 198 N CA 0.736 53.799 53.050 0.021 0.000 0.852 198 N CB -0.830 37.668 38.487 0.017 0.000 1.018 198 N HN 0.516 nan 8.380 nan 0.000 0.423 199 L N 1.802 123.042 121.223 0.029 0.000 2.127 199 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 199 L C 2.061 178.972 176.870 0.068 0.000 1.089 199 L CA 1.607 56.469 54.840 0.038 0.000 0.757 199 L CB -0.685 41.391 42.059 0.028 0.000 0.899 199 L HN 0.191 nan 8.230 nan 0.000 0.434 200 Q N -0.880 118.968 119.800 0.079 0.000 2.123 200 Q HA -0.166 4.174 4.340 -0.000 0.000 0.199 200 Q C 2.000 178.069 176.000 0.115 0.000 0.966 200 Q CA 1.655 57.543 55.803 0.142 0.000 0.845 200 Q CB -0.033 28.733 28.738 0.048 0.000 0.907 200 Q HN 0.641 nan 8.270 nan 0.000 0.439 201 E N 0.329 120.562 120.200 0.055 0.000 2.208 201 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 201 E C 1.607 178.239 176.600 0.052 0.000 0.988 201 E CA 0.657 57.083 56.400 0.044 0.000 0.828 201 E CB 0.022 29.735 29.700 0.022 0.000 0.763 201 E HN 0.255 nan 8.360 nan 0.000 0.478 202 A N 1.314 124.165 122.820 0.050 0.000 2.239 202 A HA -0.076 4.244 4.320 -0.000 0.000 0.209 202 A C 0.983 178.595 177.584 0.046 0.000 1.171 202 A CA 0.426 52.487 52.037 0.041 0.000 0.768 202 A CB -0.011 19.008 19.000 0.031 0.000 0.790 202 A HN 0.059 nan 8.150 nan 0.000 0.478 203 Q N -0.497 119.345 119.800 0.070 0.000 2.354 203 Q HA 0.205 4.545 4.340 -0.000 0.000 0.244 203 Q C -1.680 174.352 176.000 0.053 0.000 0.969 203 Q CA -1.714 54.128 55.803 0.065 0.000 0.885 203 Q CB 0.228 29.032 28.738 0.109 0.000 1.241 203 Q HN 0.148 nan 8.270 nan 0.000 0.461 204 P HA -0.009 nan 4.420 nan 0.000 0.218 204 P C -0.017 177.302 177.300 0.032 0.000 1.152 204 P CA 1.007 64.122 63.100 0.026 0.000 0.826 204 P CB 0.332 32.039 31.700 0.012 0.000 0.790 205 L N -0.498 120.744 121.223 0.032 0.000 2.289 205 L HA 0.618 4.958 4.340 -0.000 0.000 0.285 205 L C 0.502 177.430 176.870 0.095 0.000 1.049 205 L CA -0.361 54.503 54.840 0.039 0.000 0.804 205 L CB 0.745 42.804 42.059 -0.001 0.000 1.195 205 L HN 0.122 nan 8.230 nan 0.000 0.428 206 G N 2.289 111.145 108.800 0.094 0.000 2.907 206 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 206 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 206 G C -1.428 173.521 174.900 0.083 0.000 1.115 206 G CA -0.897 44.277 45.100 0.123 0.000 0.760 206 G HN 0.638 nan 8.290 nan 0.000 0.620 207 N N 0.670 119.402 118.700 0.053 0.000 2.454 207 N HA 0.854 5.594 4.740 -0.000 0.000 0.291 207 N C 0.150 175.668 175.510 0.013 0.000 1.079 207 N CA 1.090 54.159 53.050 0.032 0.000 0.893 207 N CB 1.814 40.320 38.487 0.030 0.000 1.512 207 N HN 2.172 nan 8.380 nan 0.000 0.497 208 G N 1.635 110.436 108.800 0.001 0.000 2.352 208 G HA2 0.117 4.077 3.960 -0.000 0.000 0.302 208 G HA3 0.117 4.077 3.960 -0.000 0.000 0.302 208 G C -0.595 174.290 174.900 -0.026 0.000 1.370 208 G CA -0.587 44.505 45.100 -0.013 0.000 0.918 208 G HN 0.411 nan 8.290 nan 0.000 0.610 209 K N -0.799 119.585 120.400 -0.026 0.000 2.373 209 K HA 0.263 4.583 4.320 -0.000 0.000 0.200 209 K C 0.292 176.864 176.600 -0.046 0.000 1.054 209 K CA 0.124 56.395 56.287 -0.026 0.000 1.065 209 K CB 0.894 33.389 32.500 -0.008 0.000 0.886 209 K HN 0.200 nan 8.250 nan 0.000 0.546 210 K N 1.204 121.564 120.400 -0.066 0.000 2.397 210 K HA 0.487 4.807 4.320 -0.000 0.000 0.253 210 K C -1.671 174.828 176.600 -0.169 0.000 0.932 210 K CA -0.442 55.790 56.287 -0.092 0.000 0.795 210 K CB 1.957 34.432 32.500 -0.041 0.000 1.159 210 K HN 0.052 nan 8.250 nan 0.000 0.424 211 A N 3.456 126.096 122.820 -0.300 0.000 2.317 211 A HA 0.636 4.956 4.320 -0.000 0.000 0.327 211 A C -1.101 176.274 177.584 -0.347 0.000 1.178 211 A CA -0.515 51.242 52.037 -0.467 0.000 0.817 211 A CB 0.644 18.981 19.000 -1.105 0.000 1.189 211 A HN 0.767 nan 8.150 nan 0.000 0.489 212 E N 1.002 121.060 120.200 -0.235 0.000 2.272 212 E HA 0.494 4.844 4.350 -0.000 0.000 0.269 212 E C -1.479 175.050 176.600 -0.118 0.000 0.877 212 E CA -0.522 55.780 56.400 -0.164 0.000 0.755 212 E CB 2.323 32.029 29.700 0.011 0.000 1.192 212 E HN 0.687 nan 8.360 nan 0.000 0.422 213 Q N 3.012 122.714 119.800 -0.164 0.000 2.263 213 Q HA 0.362 4.702 4.340 -0.000 0.000 0.266 213 Q C -1.449 174.540 176.000 -0.019 0.000 1.002 213 Q CA -0.813 54.948 55.803 -0.070 0.000 0.790 213 Q CB 2.065 30.822 28.738 0.032 0.000 1.272 213 Q HN 0.556 nan 8.270 nan 0.000 0.435 214 W N 1.467 122.756 121.300 -0.019 0.000 3.022 214 W HA 0.906 5.566 4.660 -0.000 0.000 0.335 214 W C -1.869 174.673 176.519 0.038 0.000 1.133 214 W CA -1.095 56.294 57.345 0.072 0.000 1.219 214 W CB 1.070 30.705 29.460 0.292 0.000 1.409 214 W HN 0.687 nan 8.180 nan 0.000 0.507 215 A N 2.451 125.400 122.820 0.216 0.000 2.517 215 A HA 0.724 5.044 4.320 -0.000 0.000 0.297 215 A C -0.695 177.001 177.584 0.188 0.000 1.050 215 A CA -0.548 51.500 52.037 0.018 0.000 0.694 215 A CB 1.473 20.409 19.000 -0.108 0.000 1.277 215 A HN 0.744 nan 8.150 nan 0.000 0.400 216 T N -0.492 114.193 114.554 0.219 0.000 2.856 216 T HA 0.831 5.181 4.350 -0.000 0.000 0.283 216 T C 0.098 174.847 174.700 0.083 0.000 1.008 216 T CA -0.144 62.067 62.100 0.185 0.000 0.997 216 T CB 1.843 70.891 68.868 0.301 0.000 0.992 216 T HN 1.719 nan 8.240 nan 0.000 0.454 217 G N 1.219 110.010 108.800 -0.016 0.000 2.571 217 G HA2 0.683 4.643 3.960 -0.000 0.000 0.304 217 G HA3 0.683 4.643 3.960 -0.000 0.000 0.304 217 G C -1.839 173.189 174.900 0.214 0.000 1.314 217 G CA -0.919 44.172 45.100 -0.015 0.000 0.975 217 G HN 0.901 nan 8.290 nan 0.000 0.485 218 L N 1.158 122.600 121.223 0.365 0.000 2.438 218 L HA 0.699 5.039 4.340 -0.000 0.000 0.270 218 L C -0.693 176.317 176.870 0.234 0.000 0.972 218 L CA -0.829 54.207 54.840 0.327 0.000 0.831 218 L CB 2.216 44.404 42.059 0.215 0.000 1.273 218 L HN 0.784 nan 8.230 nan 0.000 0.405 219 K N 2.852 123.305 120.400 0.088 0.000 2.527 219 K HA 0.441 4.761 4.320 -0.000 0.000 0.260 219 K C -1.983 174.471 176.600 -0.244 0.000 0.937 219 K CA -0.866 55.276 56.287 -0.242 0.000 0.826 219 K CB 2.180 34.238 32.500 -0.736 0.000 1.359 219 K HN 0.342 nan 8.250 nan 0.000 0.434 220 Y N 1.936 121.926 120.300 -0.516 0.000 2.345 220 Y HA 0.370 4.920 4.550 -0.000 0.000 0.331 220 Y C -1.565 173.959 175.900 -0.626 0.000 0.959 220 Y CA -0.805 56.888 58.100 -0.678 0.000 1.204 220 Y CB 1.591 39.632 38.460 -0.699 0.000 1.135 220 Y HN 0.838 nan 8.280 nan 0.000 0.477 221 D N 5.292 125.039 120.400 -1.089 0.000 2.454 221 D HA 0.706 5.346 4.640 -0.000 0.000 0.247 221 D C -1.473 174.347 176.300 -0.800 0.000 1.129 221 D CA 0.042 53.573 54.000 -0.782 0.000 0.877 221 D CB 0.766 41.296 40.800 -0.450 0.000 1.082 221 D HN 0.838 nan 8.370 nan 0.000 0.537 222 A N 3.342 125.705 122.820 -0.762 0.000 2.574 222 A HA 0.458 4.778 4.320 -0.000 0.000 0.298 222 A C -0.095 177.319 177.584 -0.283 0.000 0.987 222 A CA -0.496 51.239 52.037 -0.503 0.000 0.678 222 A CB 0.032 18.712 19.000 -0.534 0.000 1.296 222 A HN 0.573 nan 8.150 nan 0.000 0.420 223 N N 0.915 119.524 118.700 -0.152 0.000 2.815 223 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 223 N C 0.323 175.785 175.510 -0.079 0.000 1.114 223 N CA 0.624 53.643 53.050 -0.052 0.000 0.717 223 N CB -0.794 37.729 38.487 0.061 0.000 1.074 223 N HN 0.935 nan 8.380 nan 0.000 0.555 224 N N -1.721 116.859 118.700 -0.201 0.000 2.936 224 N HA -0.180 4.560 4.740 -0.000 0.000 0.236 224 N C -0.643 174.661 175.510 -0.343 0.000 0.930 224 N CA 1.569 54.379 53.050 -0.400 0.000 0.966 224 N CB -0.991 37.081 38.487 -0.691 0.000 1.090 224 N HN 0.580 nan 8.380 nan 0.000 0.592 225 I N 0.397 120.921 120.570 -0.077 0.000 2.377 225 I HA 0.270 4.440 4.170 -0.000 0.000 0.293 225 I C -0.367 175.754 176.117 0.007 0.000 0.987 225 I CA -0.805 60.548 61.300 0.089 0.000 1.185 225 I CB 1.231 39.366 38.000 0.225 0.000 1.341 225 I HN -0.032 nan 8.210 nan 0.000 0.455 226 Y N 7.328 127.595 120.300 -0.055 0.000 2.363 226 Y HA 0.588 5.138 4.550 -0.000 0.000 0.325 226 Y C -1.301 174.589 175.900 -0.017 0.000 0.984 226 Y CA -0.589 57.453 58.100 -0.096 0.000 1.248 226 Y CB 1.034 39.422 38.460 -0.120 0.000 1.116 226 Y HN 0.374 nan 8.280 nan 0.000 0.470 227 L N 5.864 126.904 121.223 -0.305 0.000 2.356 227 L HA 0.943 5.283 4.340 -0.000 0.000 0.277 227 L C -0.693 175.998 176.870 -0.299 0.000 0.996 227 L CA -0.944 53.809 54.840 -0.144 0.000 0.822 227 L CB 1.726 43.774 42.059 -0.019 0.000 1.256 227 L HN 0.714 nan 8.230 nan 0.000 0.413 228 A N 2.859 125.618 122.820 -0.102 0.000 2.520 228 A HA 0.953 5.273 4.320 -0.000 0.000 0.298 228 A C -1.331 176.316 177.584 0.105 0.000 1.051 228 A CA -0.410 51.606 52.037 -0.034 0.000 0.690 228 A CB 2.043 21.043 19.000 -0.000 0.000 1.281 228 A HN 0.763 nan 8.150 nan 0.000 0.402 229 A N 1.653 124.559 122.820 0.145 0.000 2.422 229 A HA 0.797 5.117 4.320 -0.000 0.000 0.302 229 A C -0.883 176.803 177.584 0.170 0.000 1.041 229 A CA -0.591 51.536 52.037 0.151 0.000 0.708 229 A CB 1.195 20.275 19.000 0.132 0.000 1.257 229 A HN 0.840 nan 8.150 nan 0.000 0.414 230 N N 0.053 118.837 118.700 0.139 0.000 2.284 230 N HA 0.600 5.340 4.740 -0.000 0.000 0.300 230 N C -1.788 173.799 175.510 0.128 0.000 1.047 230 N CA -0.288 52.825 53.050 0.105 0.000 0.821 230 N CB 2.042 40.550 38.487 0.035 0.000 1.337 230 N HN 0.667 nan 8.380 nan 0.000 0.482 231 Y N 1.036 121.331 120.300 -0.008 0.000 2.373 231 Y HA 0.702 5.252 4.550 0.000 0.000 0.336 231 Y C -0.495 175.284 175.900 -0.201 0.000 0.979 231 Y CA -0.433 57.633 58.100 -0.057 0.000 1.080 231 Y CB 1.473 39.943 38.460 0.016 0.000 1.190 231 Y HN 0.562 nan 8.280 nan 0.000 0.446 232 G N 4.174 112.333 108.800 -1.069 0.000 2.684 232 G HA2 0.624 4.584 3.960 -0.000 0.000 0.290 232 G HA3 0.624 4.584 3.960 -0.000 0.000 0.290 232 G C -1.876 172.266 174.900 -1.262 0.000 1.425 232 G CA -0.952 43.442 45.100 -1.175 0.000 0.822 232 G HN 0.573 nan 8.290 nan 0.000 0.482 233 E N -1.086 118.316 120.200 -1.330 0.000 2.433 233 E HA 0.717 5.067 4.350 -0.000 0.000 0.273 233 E C -0.989 175.332 176.600 -0.465 0.000 0.950 233 E CA -0.970 54.991 56.400 -0.732 0.000 0.796 233 E CB 2.701 32.135 29.700 -0.444 0.000 1.330 233 E HN 0.691 nan 8.360 nan 0.000 0.455 234 T N -0.943 113.496 114.554 -0.192 0.000 2.923 234 T HA 0.583 4.933 4.350 -0.000 0.000 0.311 234 T C -0.946 173.745 174.700 -0.015 0.000 1.183 234 T CA -1.180 60.870 62.100 -0.083 0.000 1.020 234 T CB 1.430 70.266 68.868 -0.054 0.000 1.165 234 T HN 0.180 nan 8.240 nan 0.000 0.482 235 R N 2.761 123.255 120.500 -0.011 0.000 2.337 235 R HA 0.441 4.781 4.340 -0.000 0.000 0.319 235 R C -0.219 176.046 176.300 -0.059 0.000 0.954 235 R CA -0.751 55.345 56.100 -0.008 0.000 0.840 235 R CB 0.486 30.795 30.300 0.015 0.000 1.164 235 R HN 0.894 nan 8.270 nan 0.000 0.472 236 N N 1.453 120.141 118.700 -0.020 0.000 2.714 236 N HA -0.247 4.493 4.740 -0.000 0.000 0.252 236 N C 0.110 175.545 175.510 -0.126 0.000 1.014 236 N CA 1.205 54.232 53.050 -0.037 0.000 0.735 236 N CB -0.810 37.619 38.487 -0.095 0.000 0.924 236 N HN 0.770 nan 8.380 nan 0.000 0.540 237 A N -1.554 121.283 122.820 0.028 0.000 1.937 237 A HA 0.167 4.487 4.320 -0.000 0.000 0.198 237 A C 0.772 178.568 177.584 0.355 0.000 1.635 237 A CA 0.467 52.576 52.037 0.119 0.000 1.111 237 A CB 0.295 19.292 19.000 -0.004 0.000 1.165 237 A HN 0.192 nan 8.150 nan 0.000 0.460 238 T N 4.502 119.172 114.554 0.192 0.000 2.752 238 T HA 0.391 4.741 4.350 -0.000 0.000 0.295 238 T C -2.684 171.977 174.700 -0.064 0.000 0.923 238 T CA -0.681 61.422 62.100 0.006 0.000 1.112 238 T CB 0.840 69.704 68.868 -0.006 0.000 0.884 238 T HN 0.239 nan 8.240 nan 0.000 0.525 239 P HA 0.333 nan 4.420 nan 0.000 0.276 239 P C -0.514 176.535 177.300 -0.418 0.000 1.235 239 P CA -0.344 62.415 63.100 -0.569 0.000 0.772 239 P CB 0.391 31.723 31.700 -0.614 0.000 0.871 240 I N -0.597 119.764 120.570 -0.348 0.000 2.934 240 I HA 0.700 4.870 4.170 -0.000 0.000 0.306 240 I C -0.995 175.000 176.117 -0.204 0.000 1.110 240 I CA -0.884 60.286 61.300 -0.217 0.000 1.019 240 I CB 2.651 40.573 38.000 -0.131 0.000 1.227 240 I HN 0.046 nan 8.210 nan 0.000 0.434 241 T N 2.439 116.898 114.554 -0.159 0.000 2.881 241 T HA 0.285 4.635 4.350 -0.000 0.000 0.290 241 T C -0.597 174.022 174.700 -0.135 0.000 1.000 241 T CA -0.441 61.571 62.100 -0.146 0.000 0.978 241 T CB 1.163 69.942 68.868 -0.149 0.000 0.997 241 T HN 0.656 nan 8.240 nan 0.000 0.443 242 N N 2.371 121.004 118.700 -0.112 0.000 2.521 242 N HA 0.152 4.892 4.740 -0.000 0.000 0.236 242 N C 0.910 176.324 175.510 -0.160 0.000 1.067 242 N CA -0.362 52.619 53.050 -0.114 0.000 0.939 242 N CB 0.557 39.027 38.487 -0.029 0.000 1.201 242 N HN 0.483 nan 8.380 nan 0.000 0.511 243 K N 1.975 122.188 120.400 -0.312 0.000 2.360 243 K HA -0.079 4.241 4.320 -0.000 0.000 0.201 243 K C 0.587 177.043 176.600 -0.240 0.000 1.046 243 K CA 1.096 57.193 56.287 -0.317 0.000 0.945 243 K CB 0.029 32.285 32.500 -0.406 0.000 0.750 243 K HN 0.400 nan 8.250 nan 0.000 0.464 244 F N 0.324 120.265 119.950 -0.015 0.000 2.147 244 F HA -0.091 4.436 4.527 -0.000 0.000 0.291 244 F C 2.715 178.508 175.800 -0.011 0.000 1.093 244 F CA 1.205 59.198 58.000 -0.011 0.000 1.263 244 F CB -1.073 37.923 39.000 -0.007 0.000 1.036 244 F HN 0.011 nan 8.300 nan 0.000 0.481 245 T N -3.204 111.452 114.554 0.170 0.000 3.107 245 T HA 0.117 4.467 4.350 -0.000 0.000 0.249 245 T C 0.357 175.080 174.700 0.038 0.000 1.096 245 T CA 0.152 62.305 62.100 0.088 0.000 1.012 245 T CB -1.165 67.746 68.868 0.071 0.000 0.977 245 T HN 0.333 nan 8.240 nan 0.000 0.527 246 N N 1.094 119.802 118.700 0.014 0.000 2.725 246 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 246 N C -0.988 174.507 175.510 -0.026 0.000 1.031 246 N CA 0.674 53.713 53.050 -0.019 0.000 0.720 246 N CB -1.211 37.269 38.487 -0.011 0.000 0.930 246 N HN 0.459 nan 8.380 nan 0.000 0.543 247 T N 0.106 114.642 114.554 -0.030 0.000 2.902 247 T HA 0.598 4.948 4.350 -0.000 0.000 0.283 247 T C 0.128 174.788 174.700 -0.066 0.000 1.009 247 T CA -0.410 61.669 62.100 -0.034 0.000 1.051 247 T CB 1.731 70.590 68.868 -0.015 0.000 0.999 247 T HN 0.042 nan 8.240 nan 0.000 0.474 248 S N 0.350 116.005 115.700 -0.075 0.000 2.570 248 S HA 0.944 5.414 4.470 -0.000 0.000 0.286 248 S C 0.261 174.780 174.600 -0.134 0.000 1.099 248 S CA -0.456 57.668 58.200 -0.126 0.000 0.913 248 S CB 2.091 65.209 63.200 -0.136 0.000 1.085 248 S HN 1.159 nan 8.310 nan 0.000 0.480 249 G N 0.899 109.549 108.800 -0.249 0.000 2.512 249 G HA2 0.432 4.392 3.960 -0.000 0.000 0.181 249 G HA3 0.432 4.392 3.960 -0.000 0.000 0.181 249 G C -2.270 172.299 174.900 -0.552 0.000 1.173 249 G CA -0.593 44.355 45.100 -0.253 0.000 0.988 249 G HN 0.478 nan 8.290 nan 0.000 0.485 250 F N 0.868 120.797 119.950 -0.035 0.000 2.576 250 F HA 0.760 5.287 4.527 -0.000 0.000 0.313 250 F C 0.577 176.358 175.800 -0.032 0.000 1.078 250 F CA -0.378 57.599 58.000 -0.039 0.000 0.921 250 F CB 2.444 41.440 39.000 -0.007 0.000 1.232 250 F HN 0.698 nan 8.300 nan 0.000 0.459 251 A N 2.221 125.120 122.820 0.132 0.000 2.347 251 A HA 0.246 4.566 4.320 -0.000 0.000 0.287 251 A C 1.108 178.738 177.584 0.077 0.000 1.199 251 A CA -0.457 51.622 52.037 0.070 0.000 0.851 251 A CB -0.130 18.887 19.000 0.028 0.000 1.118 251 A HN 0.864 nan 8.150 nan 0.000 0.525 252 N N 0.870 119.607 118.700 0.062 0.000 2.096 252 N HA -0.149 4.591 4.740 -0.000 0.000 0.195 252 N C 0.419 175.951 175.510 0.037 0.000 1.017 252 N CA 1.450 54.528 53.050 0.047 0.000 0.870 252 N CB 0.008 38.519 38.487 0.040 0.000 1.024 252 N HN 0.604 nan 8.380 nan 0.000 0.434 253 K N 0.290 120.710 120.400 0.033 0.000 2.543 253 K HA 0.213 4.533 4.320 -0.000 0.000 0.255 253 K C -1.363 175.242 176.600 0.009 0.000 0.934 253 K CA -0.244 56.058 56.287 0.026 0.000 0.810 253 K CB 1.706 34.230 32.500 0.038 0.000 1.315 253 K HN 0.140 nan 8.250 nan 0.000 0.433 254 T N 0.197 114.740 114.554 -0.019 0.000 2.909 254 T HA 0.603 4.953 4.350 -0.000 0.000 0.299 254 T C -0.896 173.735 174.700 -0.114 0.000 1.073 254 T CA -0.776 61.295 62.100 -0.048 0.000 0.999 254 T CB 1.805 70.646 68.868 -0.044 0.000 1.098 254 T HN 0.427 nan 8.240 nan 0.000 0.477 255 Q N 1.649 121.378 119.800 -0.118 0.000 2.330 255 Q HA 0.509 4.849 4.340 -0.000 0.000 0.269 255 Q C -1.516 174.336 176.000 -0.247 0.000 1.022 255 Q CA -0.944 54.732 55.803 -0.212 0.000 0.796 255 Q CB 1.878 30.594 28.738 -0.037 0.000 1.271 255 Q HN 0.635 nan 8.270 nan 0.000 0.450 256 D N 1.891 122.021 120.400 -0.450 0.000 2.505 256 D HA 0.447 5.087 4.640 -0.000 0.000 0.249 256 D C -1.008 175.119 176.300 -0.289 0.000 1.082 256 D CA -0.422 53.386 54.000 -0.321 0.000 0.839 256 D CB 2.404 43.032 40.800 -0.286 0.000 1.317 256 D HN 0.121 nan 8.370 nan 0.000 0.497 257 V N 2.925 122.767 119.914 -0.120 0.000 2.482 257 V HA 0.341 4.461 4.120 -0.000 0.000 0.295 257 V C -0.829 175.244 176.094 -0.035 0.000 1.026 257 V CA -0.750 61.564 62.300 0.022 0.000 0.856 257 V CB 1.778 33.699 31.823 0.164 0.000 1.001 257 V HN 0.356 nan 8.190 nan 0.000 0.424 258 L N 6.241 127.468 121.223 0.007 0.000 2.341 258 L HA 0.678 5.018 4.340 -0.000 0.000 0.278 258 L C -0.533 176.392 176.870 0.092 0.000 1.005 258 L CA -0.358 54.482 54.840 -0.000 0.000 0.818 258 L CB 1.710 43.763 42.059 -0.010 0.000 1.259 258 L HN 0.499 nan 8.230 nan 0.000 0.418 259 L N 3.911 125.207 121.223 0.122 0.000 2.409 259 L HA 0.749 5.089 4.340 -0.000 0.000 0.272 259 L C -0.737 176.232 176.870 0.165 0.000 0.980 259 L CA -0.693 54.244 54.840 0.162 0.000 0.826 259 L CB 2.590 44.770 42.059 0.202 0.000 1.268 259 L HN 0.206 nan 8.230 nan 0.000 0.407 260 V N 1.885 121.898 119.914 0.165 0.000 2.709 260 V HA 0.819 4.939 4.120 -0.000 0.000 0.308 260 V C -0.474 175.731 176.094 0.185 0.000 1.062 260 V CA -0.523 61.887 62.300 0.184 0.000 0.901 260 V CB 1.976 33.924 31.823 0.209 0.000 1.003 260 V HN 0.816 nan 8.190 nan 0.000 0.425 261 A N 4.412 127.339 122.820 0.178 0.000 2.411 261 A HA 0.843 5.163 4.320 -0.000 0.000 0.285 261 A C -0.807 176.881 177.584 0.172 0.000 1.129 261 A CA -0.504 51.632 52.037 0.165 0.000 0.736 261 A CB 1.286 20.364 19.000 0.130 0.000 1.186 261 A HN 0.788 nan 8.150 nan 0.000 0.445 262 Q N 0.339 120.256 119.800 0.195 0.000 2.423 262 Q HA 0.613 4.953 4.340 -0.000 0.000 0.278 262 Q C -1.918 174.195 176.000 0.188 0.000 1.097 262 Q CA -0.702 55.201 55.803 0.167 0.000 0.809 262 Q CB 3.057 31.860 28.738 0.107 0.000 1.391 262 Q HN 0.730 nan 8.270 nan 0.000 0.428 263 Y N 0.845 121.141 120.300 -0.006 0.000 2.421 263 Y HA 0.307 4.857 4.550 -0.000 0.000 0.339 263 Y C -1.300 174.509 175.900 -0.152 0.000 0.996 263 Y CA -0.744 57.286 58.100 -0.117 0.000 1.046 263 Y CB 2.018 40.344 38.460 -0.224 0.000 1.226 263 Y HN 0.518 nan 8.280 nan 0.000 0.445 264 Q N 5.665 124.969 119.800 -0.825 0.000 2.465 264 Q HA 0.369 4.709 4.340 -0.000 0.000 0.237 264 Q C -1.690 173.901 176.000 -0.680 0.000 1.051 264 Q CA -0.201 55.265 55.803 -0.561 0.000 0.874 264 Q CB -0.116 28.370 28.738 -0.419 0.000 1.207 264 Q HN 0.558 nan 8.270 nan 0.000 0.508 265 F N 1.522 121.313 119.950 -0.265 0.000 2.490 265 F HA 0.028 4.555 4.527 -0.000 0.000 0.336 265 F C 1.391 177.116 175.800 -0.124 0.000 1.178 265 F CA 0.352 58.327 58.000 -0.042 0.000 1.301 265 F CB 0.713 39.784 39.000 0.118 0.000 1.175 265 F HN 0.566 nan 8.300 nan 0.000 0.593 266 D N 1.176 121.766 120.400 0.317 0.000 2.183 266 D HA -0.152 4.488 4.640 -0.000 0.000 0.203 266 D C 1.897 178.307 176.300 0.183 0.000 0.969 266 D CA 1.269 55.377 54.000 0.180 0.000 0.842 266 D CB -0.239 40.684 40.800 0.205 0.000 0.957 266 D HN 0.462 nan 8.370 nan 0.000 0.484 267 F N -0.925 119.100 119.950 0.125 0.000 2.771 267 F HA 0.347 4.874 4.527 0.000 0.000 0.299 267 F C 1.457 177.285 175.800 0.048 0.000 1.177 267 F CA 0.464 58.525 58.000 0.101 0.000 1.450 267 F CB -0.350 38.726 39.000 0.127 0.000 1.114 267 F HN -0.017 nan 8.300 nan 0.000 0.587 268 G N 0.350 108.847 108.800 -0.505 0.000 2.192 268 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.193 268 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.193 268 G C -0.469 174.066 174.900 -0.609 0.000 0.999 268 G CA -0.179 44.581 45.100 -0.567 0.000 0.659 268 G HN 0.501 nan 8.290 nan 0.000 0.503 269 L N 1.282 122.087 121.223 -0.695 0.000 2.312 269 L HA 0.833 5.173 4.340 -0.000 0.000 0.281 269 L C 0.547 177.437 176.870 0.033 0.000 1.070 269 L CA -0.764 53.933 54.840 -0.238 0.000 0.805 269 L CB 1.080 42.989 42.059 -0.251 0.000 1.174 269 L HN 0.226 nan 8.230 nan 0.000 0.434 270 R N 6.759 127.324 120.500 0.109 0.000 2.513 270 R HA 0.447 4.787 4.340 -0.000 0.000 0.283 270 R C -2.774 173.620 176.300 0.158 0.000 1.535 270 R CA -1.595 54.589 56.100 0.140 0.000 1.315 270 R CB 0.968 31.357 30.300 0.149 0.000 1.163 270 R HN 0.443 nan 8.270 nan 0.000 0.573 271 P HA 0.012 nan 4.420 nan 0.000 0.269 271 P C -0.853 176.547 177.300 0.167 0.000 1.209 271 P CA 0.016 63.242 63.100 0.210 0.000 0.776 271 P CB 1.571 33.442 31.700 0.285 0.000 0.876 272 S N 2.621 118.407 115.700 0.144 0.000 2.594 272 S HA 0.576 5.046 4.470 -0.000 0.000 0.296 272 S C -0.992 173.694 174.600 0.145 0.000 1.124 272 S CA -0.684 57.593 58.200 0.129 0.000 1.011 272 S CB 0.195 63.449 63.200 0.090 0.000 1.016 272 S HN 0.155 nan 8.310 nan 0.000 0.485 273 I N 3.806 124.468 120.570 0.154 0.000 2.406 273 I HA 0.747 4.917 4.170 -0.000 0.000 0.290 273 I C 0.105 176.338 176.117 0.193 0.000 0.999 273 I CA -0.513 60.890 61.300 0.172 0.000 1.124 273 I CB 1.065 39.160 38.000 0.158 0.000 1.289 273 I HN 0.819 nan 8.210 nan 0.000 0.441 274 A N 6.354 129.312 122.820 0.230 0.000 2.549 274 A HA 0.741 5.061 4.320 -0.000 0.000 0.297 274 A C -2.095 175.663 177.584 0.290 0.000 1.061 274 A CA -0.530 51.650 52.037 0.238 0.000 0.690 274 A CB 1.960 21.084 19.000 0.207 0.000 1.287 274 A HN 0.581 nan 8.150 nan 0.000 0.402 275 Y N 0.694 121.017 120.300 0.039 0.000 2.406 275 Y HA 0.693 5.243 4.550 0.000 0.000 0.340 275 Y C -0.668 175.043 175.900 -0.314 0.000 0.975 275 Y CA -0.157 57.830 58.100 -0.187 0.000 1.056 275 Y CB 2.308 40.671 38.460 -0.163 0.000 1.210 275 Y HN 0.623 nan 8.280 nan 0.000 0.448 276 T N 7.060 120.818 114.554 -1.327 0.000 2.928 276 T HA 0.383 4.733 4.350 -0.000 0.000 0.296 276 T C -1.594 172.344 174.700 -1.269 0.000 1.000 276 T CA -0.910 60.504 62.100 -1.143 0.000 0.989 276 T CB 1.061 69.279 68.868 -1.084 0.000 1.005 276 T HN 0.573 nan 8.240 nan 0.000 0.442 277 K N 1.995 121.914 120.400 -0.802 0.000 2.565 277 K HA 0.564 4.884 4.320 -0.000 0.000 0.249 277 K C -1.317 175.124 176.600 -0.266 0.000 0.958 277 K CA -0.508 55.471 56.287 -0.514 0.000 0.806 277 K CB 1.523 33.801 32.500 -0.371 0.000 1.194 277 K HN 0.544 nan 8.250 nan 0.000 0.434 278 S N 4.620 120.199 115.700 -0.202 0.000 2.640 278 S HA 0.348 4.818 4.470 -0.000 0.000 0.320 278 S C -1.317 173.240 174.600 -0.071 0.000 1.097 278 S CA -0.854 57.274 58.200 -0.120 0.000 1.092 278 S CB 0.360 63.509 63.200 -0.085 0.000 0.988 278 S HN 0.615 nan 8.310 nan 0.000 0.470 279 K N 3.021 123.389 120.400 -0.053 0.000 2.221 279 K HA 0.825 5.145 4.320 -0.000 0.000 0.258 279 K C -0.487 176.104 176.600 -0.015 0.000 0.944 279 K CA -0.898 55.374 56.287 -0.024 0.000 0.823 279 K CB 1.746 34.242 32.500 -0.006 0.000 1.113 279 K HN 0.425 nan 8.250 nan 0.000 0.431 280 A N 3.362 126.180 122.820 -0.004 0.000 2.306 280 A HA 0.420 4.740 4.320 -0.000 0.000 0.314 280 A C -0.827 176.765 177.584 0.013 0.000 1.164 280 A CA -0.794 51.244 52.037 0.003 0.000 0.822 280 A CB 0.587 19.589 19.000 0.003 0.000 1.130 280 A HN 0.784 nan 8.150 nan 0.000 0.496 281 K N 1.269 121.681 120.400 0.019 0.000 2.345 281 K HA 0.454 4.774 4.320 -0.000 0.000 0.255 281 K C -1.265 175.353 176.600 0.029 0.000 0.934 281 K CA -0.691 55.613 56.287 0.027 0.000 0.801 281 K CB 1.430 33.950 32.500 0.034 0.000 1.137 281 K HN 0.680 nan 8.250 nan 0.000 0.424 282 D N 0.110 120.528 120.400 0.030 0.000 3.091 282 D HA -0.128 4.512 4.640 -0.000 0.000 0.216 282 D C -0.360 175.957 176.300 0.030 0.000 1.129 282 D CA 0.570 54.588 54.000 0.030 0.000 0.913 282 D CB -1.569 39.250 40.800 0.032 0.000 1.101 282 D HN 0.195 nan 8.370 nan 0.000 0.426 283 V N 2.493 122.423 119.914 0.027 0.000 2.441 283 V HA -0.097 4.023 4.120 -0.000 0.000 0.279 283 V C 1.254 177.365 176.094 0.027 0.000 0.990 283 V CA 0.110 62.425 62.300 0.026 0.000 1.116 283 V CB 0.002 31.838 31.823 0.021 0.000 0.977 283 V HN 0.124 nan 8.190 nan 0.000 0.470 284 E N 5.069 125.286 120.200 0.029 0.000 3.288 284 E HA -0.081 4.269 4.350 -0.000 0.000 0.237 284 E C 1.247 177.863 176.600 0.028 0.000 0.958 284 E CA 0.915 57.332 56.400 0.028 0.000 0.947 284 E CB -0.628 29.089 29.700 0.028 0.000 0.896 284 E HN 1.032 nan 8.360 nan 0.000 0.566 285 G N 3.216 112.032 108.800 0.027 0.000 2.659 285 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.212 285 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.212 285 G C 0.806 175.725 174.900 0.032 0.000 1.226 285 G CA 0.076 45.193 45.100 0.028 0.000 0.739 285 G HN 0.434 nan 8.290 nan 0.000 0.528 286 I N 2.249 122.840 120.570 0.036 0.000 2.286 286 I HA 0.403 4.573 4.170 -0.000 0.000 0.245 286 I C 2.497 178.634 176.117 0.035 0.000 1.104 286 I CA 2.534 63.858 61.300 0.041 0.000 1.397 286 I CB -0.772 37.256 38.000 0.046 0.000 1.072 286 I HN 1.653 nan 8.210 nan 0.000 0.417 287 G N -0.131 108.687 108.800 0.031 0.000 3.298 287 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 287 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 287 G C -0.573 174.344 174.900 0.028 0.000 1.681 287 G CA 0.012 45.130 45.100 0.029 0.000 1.094 287 G HN 0.274 nan 8.290 nan 0.000 0.575 288 D N 0.906 121.323 120.400 0.029 0.000 2.344 288 D HA 0.624 5.264 4.640 -0.000 0.000 0.239 288 D C -0.177 176.139 176.300 0.027 0.000 1.064 288 D CA 0.051 54.067 54.000 0.027 0.000 0.829 288 D CB 1.916 42.734 40.800 0.029 0.000 1.129 288 D HN 0.620 nan 8.370 nan 0.000 0.506 289 V N 1.562 121.489 119.914 0.021 0.000 2.760 289 V HA 0.343 4.463 4.120 -0.000 0.000 0.309 289 V C -0.601 175.499 176.094 0.009 0.000 1.077 289 V CA -1.108 61.203 62.300 0.020 0.000 0.910 289 V CB 2.323 34.158 31.823 0.020 0.000 1.008 289 V HN 0.306 nan 8.190 nan 0.000 0.424 290 D N 2.906 123.311 120.400 0.008 0.000 2.348 290 D HA 0.412 5.052 4.640 -0.000 0.000 0.253 290 D C 0.874 177.170 176.300 -0.007 0.000 1.161 290 D CA -0.039 53.957 54.000 -0.007 0.000 0.876 290 D CB 1.852 42.646 40.800 -0.011 0.000 1.160 290 D HN 0.416 nan 8.370 nan 0.000 0.459 291 L N 1.163 122.379 121.223 -0.011 0.000 2.221 291 L HA 0.148 4.488 4.340 -0.000 0.000 0.202 291 L C 0.443 177.322 176.870 0.015 0.000 1.074 291 L CA 0.520 55.362 54.840 0.003 0.000 0.795 291 L CB 0.138 42.209 42.059 0.020 0.000 0.960 291 L HN 0.128 nan 8.230 nan 0.000 0.458 292 V N 0.047 119.949 119.914 -0.020 0.000 2.760 292 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 292 V C -1.183 174.804 176.094 -0.178 0.000 1.077 292 V CA -0.693 61.588 62.300 -0.032 0.000 0.910 292 V CB 1.982 33.786 31.823 -0.032 0.000 1.008 292 V HN 0.236 nan 8.190 nan 0.000 0.424 293 N N 3.418 121.997 118.700 -0.200 0.000 2.839 293 N HA 0.462 5.202 4.740 -0.000 0.000 0.258 293 N C -1.706 173.633 175.510 -0.285 0.000 1.150 293 N CA -0.393 52.444 53.050 -0.355 0.000 0.957 293 N CB 1.693 40.070 38.487 -0.182 0.000 1.560 293 N HN 0.742 nan 8.380 nan 0.000 0.588 294 Y N 0.873 120.874 120.300 -0.499 0.000 2.687 294 Y HA 0.644 5.194 4.550 -0.000 0.000 0.338 294 Y C -2.093 173.490 175.900 -0.528 0.000 1.189 294 Y CA -1.484 56.360 58.100 -0.428 0.000 1.097 294 Y CB 0.418 38.602 38.460 -0.461 0.000 1.342 294 Y HN 0.119 nan 8.280 nan 0.000 0.461 295 F N 1.904 121.984 119.950 0.218 0.000 2.450 295 F HA 0.545 5.072 4.527 0.000 0.000 0.332 295 F C 0.177 176.056 175.800 0.132 0.000 1.093 295 F CA -0.592 57.540 58.000 0.220 0.000 1.003 295 F CB 1.839 40.930 39.000 0.152 0.000 1.151 295 F HN 0.556 nan 8.300 nan 0.000 0.474 296 E N 3.014 123.411 120.200 0.328 0.000 2.191 296 E HA 0.471 4.821 4.350 -0.000 0.000 0.263 296 E C -1.839 174.860 176.600 0.166 0.000 0.881 296 E CA -0.447 56.038 56.400 0.141 0.000 0.757 296 E CB 2.024 31.809 29.700 0.142 0.000 1.147 296 E HN 0.430 nan 8.360 nan 0.000 0.414 297 V N 3.531 123.529 119.914 0.140 0.000 2.444 297 V HA 0.804 4.924 4.120 -0.000 0.000 0.294 297 V C 0.342 176.557 176.094 0.201 0.000 1.022 297 V CA -0.249 62.160 62.300 0.181 0.000 0.850 297 V CB 1.467 33.413 31.823 0.205 0.000 0.992 297 V HN 0.744 nan 8.190 nan 0.000 0.426 298 G N 3.067 111.967 108.800 0.167 0.000 2.608 298 G HA2 0.869 4.829 3.960 -0.000 0.000 0.291 298 G HA3 0.869 4.829 3.960 -0.000 0.000 0.291 298 G C -1.579 173.399 174.900 0.129 0.000 1.425 298 G CA -0.075 45.118 45.100 0.156 0.000 0.787 298 G HN 1.153 nan 8.290 nan 0.000 0.484 299 A N -0.317 122.576 122.820 0.120 0.000 2.517 299 A HA 0.831 5.151 4.320 -0.000 0.000 0.297 299 A C -0.507 177.125 177.584 0.081 0.000 1.050 299 A CA -0.463 51.636 52.037 0.104 0.000 0.694 299 A CB 1.662 20.733 19.000 0.119 0.000 1.277 299 A HN 0.952 nan 8.150 nan 0.000 0.400 300 T N 1.638 116.198 114.554 0.010 0.000 2.824 300 T HA 0.515 4.865 4.350 -0.000 0.000 0.280 300 T C -1.161 173.402 174.700 -0.229 0.000 0.995 300 T CA 0.082 62.103 62.100 -0.132 0.000 1.009 300 T CB 0.716 69.377 68.868 -0.343 0.000 0.955 300 T HN 0.517 nan 8.240 nan 0.000 0.452 301 Y N 3.068 123.121 120.300 -0.413 0.000 2.334 301 Y HA 0.472 5.022 4.550 -0.000 0.000 0.336 301 Y C -1.412 174.118 175.900 -0.617 0.000 0.960 301 Y CA -1.291 56.538 58.100 -0.452 0.000 1.164 301 Y CB 0.603 38.821 38.460 -0.404 0.000 1.155 301 Y HN 0.619 nan 8.280 nan 0.000 0.478 302 Y N 7.186 126.985 120.300 -0.835 0.000 2.454 302 Y HA 0.197 4.747 4.550 -0.000 0.000 0.345 302 Y C 0.329 175.798 175.900 -0.720 0.000 0.970 302 Y CA -0.559 57.200 58.100 -0.569 0.000 1.204 302 Y CB 0.211 38.462 38.460 -0.349 0.000 1.122 302 Y HN 0.684 nan 8.280 nan 0.000 0.514 303 F N 1.388 121.276 119.950 -0.103 0.000 2.171 303 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 303 F C 0.830 176.639 175.800 0.014 0.000 1.090 303 F CA 1.149 59.165 58.000 0.027 0.000 1.293 303 F CB -0.240 38.847 39.000 0.145 0.000 1.013 303 F HN 0.607 nan 8.300 nan 0.000 0.486 304 N N -1.436 117.388 118.700 0.207 0.000 3.593 304 N HA 0.061 4.801 4.740 -0.000 0.000 0.357 304 N C -0.046 175.515 175.510 0.084 0.000 1.518 304 N CA -0.394 52.720 53.050 0.106 0.000 0.823 304 N CB -0.032 38.520 38.487 0.108 0.000 2.346 304 N HN -0.065 nan 8.380 nan 0.000 0.521 305 K N -0.900 119.519 120.400 0.032 0.000 2.459 305 K HA 0.275 4.595 4.320 -0.000 0.000 0.193 305 K C 0.105 176.706 176.600 0.003 0.000 1.030 305 K CA 0.972 57.256 56.287 -0.005 0.000 1.026 305 K CB -0.258 32.221 32.500 -0.035 0.000 0.809 305 K HN 0.440 nan 8.250 nan 0.000 0.504 306 N N -0.608 118.103 118.700 0.018 0.000 2.510 306 N HA 0.106 4.846 4.740 -0.000 0.000 0.186 306 N C -0.145 175.334 175.510 -0.051 0.000 1.051 306 N CA -0.169 52.831 53.050 -0.083 0.000 0.877 306 N CB 0.346 38.785 38.487 -0.079 0.000 1.183 306 N HN 0.027 nan 8.380 nan 0.000 0.443 307 M N 0.548 120.229 119.600 0.134 0.000 2.705 307 M HA 0.495 4.975 4.480 -0.000 0.000 0.311 307 M C -1.330 175.179 176.300 0.349 0.000 1.214 307 M CA -0.569 54.886 55.300 0.259 0.000 0.920 307 M CB 1.773 34.549 32.600 0.294 0.000 1.687 307 M HN 0.109 nan 8.290 nan 0.000 0.481 308 S N 0.008 115.942 115.700 0.389 0.000 2.712 308 S HA 0.678 5.148 4.470 -0.000 0.000 0.279 308 S C -1.069 173.638 174.600 0.179 0.000 1.025 308 S CA -0.466 57.850 58.200 0.194 0.000 0.861 308 S CB 0.342 63.486 63.200 -0.093 0.000 1.091 308 S HN 1.142 nan 8.310 nan 0.000 0.457 309 T N -0.765 113.829 114.554 0.066 0.000 2.865 309 T HA 0.906 5.256 4.350 -0.000 0.000 0.294 309 T C -1.209 173.493 174.700 0.003 0.000 1.119 309 T CA -0.715 61.385 62.100 0.000 0.000 1.007 309 T CB 1.439 70.344 68.868 0.062 0.000 1.225 309 T HN 2.070 nan 8.240 nan 0.000 0.515 310 Y N -1.904 118.383 120.300 -0.022 0.000 2.592 310 Y HA 0.741 5.291 4.550 -0.000 0.000 0.334 310 Y C -1.991 173.916 175.900 0.013 0.000 1.136 310 Y CA -1.648 56.430 58.100 -0.037 0.000 1.042 310 Y CB 0.799 39.210 38.460 -0.080 0.000 1.325 310 Y HN 0.558 nan 8.280 nan 0.000 0.457 311 V N 2.511 122.564 119.914 0.233 0.000 2.444 311 V HA 0.402 4.522 4.120 -0.000 0.000 0.294 311 V C -1.251 174.990 176.094 0.245 0.000 1.022 311 V CA -0.392 62.029 62.300 0.201 0.000 0.850 311 V CB 1.414 33.305 31.823 0.113 0.000 0.992 311 V HN 0.798 nan 8.190 nan 0.000 0.426 312 D N 3.194 123.755 120.400 0.268 0.000 2.408 312 D HA 0.373 5.013 4.640 -0.000 0.000 0.243 312 D C -1.520 174.996 176.300 0.360 0.000 1.075 312 D CA -0.236 53.902 54.000 0.230 0.000 0.832 312 D CB 1.422 42.252 40.800 0.050 0.000 1.162 312 D HN 0.434 nan 8.370 nan 0.000 0.515 313 Y N 5.362 125.749 120.300 0.145 0.000 2.326 313 Y HA 0.414 4.964 4.550 -0.000 0.000 0.331 313 Y C -1.242 174.658 175.900 -0.000 0.000 0.962 313 Y CA -1.272 56.886 58.100 0.096 0.000 1.167 313 Y CB 0.641 39.147 38.460 0.076 0.000 1.148 313 Y HN 0.236 nan 8.280 nan 0.000 0.463 314 I N 8.322 128.618 120.570 -0.457 0.000 2.312 314 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 314 I C -0.139 175.502 176.117 -0.792 0.000 1.008 314 I CA -0.661 60.189 61.300 -0.750 0.000 1.226 314 I CB 0.998 38.298 38.000 -1.167 0.000 1.371 314 I HN 0.600 nan 8.210 nan 0.000 0.468 315 I N 6.011 126.233 120.570 -0.580 0.000 2.256 315 I HA 0.121 4.290 4.170 -0.000 0.000 0.294 315 I C 0.661 176.712 176.117 -0.109 0.000 1.127 315 I CA -0.347 60.753 61.300 -0.333 0.000 1.247 315 I CB -0.150 37.768 38.000 -0.137 0.000 1.460 315 I HN 0.429 nan 8.210 nan 0.000 0.511 316 N N 5.178 123.797 118.700 -0.135 0.000 2.438 316 N HA -0.012 4.728 4.740 -0.000 0.000 0.267 316 N C 0.822 176.354 175.510 0.036 0.000 1.222 316 N CA 0.275 53.294 53.050 -0.052 0.000 0.930 316 N CB 0.867 39.330 38.487 -0.039 0.000 1.083 316 N HN 0.403 nan 8.380 nan 0.000 0.476 317 Q N 2.358 122.190 119.800 0.054 0.000 2.403 317 Q HA 0.175 4.515 4.340 -0.000 0.000 0.203 317 Q C 0.110 176.140 176.000 0.049 0.000 0.932 317 Q CA 0.029 55.878 55.803 0.077 0.000 0.945 317 Q CB 0.400 29.180 28.738 0.071 0.000 1.045 317 Q HN 0.586 nan 8.270 nan 0.000 0.511 318 I N 3.053 123.645 120.570 0.038 0.000 2.588 318 I HA -0.022 4.148 4.170 -0.000 0.000 0.283 318 I C 0.804 176.950 176.117 0.049 0.000 1.119 318 I CA -0.081 61.243 61.300 0.040 0.000 1.419 318 I CB 0.432 38.459 38.000 0.044 0.000 1.394 318 I HN 0.136 nan 8.210 nan 0.000 0.562 319 D N 3.626 124.056 120.400 0.050 0.000 2.437 319 D HA 0.121 4.761 4.640 -0.000 0.000 0.259 319 D C 0.702 177.037 176.300 0.059 0.000 1.118 319 D CA -0.434 53.599 54.000 0.054 0.000 1.017 319 D CB 1.113 41.945 40.800 0.053 0.000 1.120 319 D HN 0.462 nan 8.370 nan 0.000 0.541 320 S N -0.957 114.779 115.700 0.060 0.000 2.555 320 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 320 S C 0.488 175.140 174.600 0.087 0.000 0.978 320 S CA 0.290 58.532 58.200 0.070 0.000 0.934 320 S CB -0.163 63.075 63.200 0.062 0.000 0.766 320 S HN 0.395 nan 8.310 nan 0.000 0.533 321 D N 1.931 122.378 120.400 0.078 0.000 2.342 321 D HA 0.136 4.776 4.640 -0.000 0.000 0.221 321 D C 0.082 176.446 176.300 0.106 0.000 1.101 321 D CA -0.096 53.954 54.000 0.084 0.000 0.837 321 D CB -0.431 40.403 40.800 0.058 0.000 0.938 321 D HN 0.402 nan 8.370 nan 0.000 0.508 322 N N 1.822 120.586 118.700 0.107 0.000 2.411 322 N HA -0.102 4.638 4.740 -0.000 0.000 0.261 322 N C 1.067 176.673 175.510 0.160 0.000 1.248 322 N CA 0.213 53.320 53.050 0.096 0.000 0.885 322 N CB 0.716 39.235 38.487 0.054 0.000 1.062 322 N HN -0.133 nan 8.380 nan 0.000 0.471 323 K N 3.763 124.245 120.400 0.137 0.000 2.362 323 K HA -0.029 4.291 4.320 -0.000 0.000 0.200 323 K C 1.325 178.042 176.600 0.195 0.000 1.046 323 K CA 0.705 57.109 56.287 0.196 0.000 0.952 323 K CB 0.186 32.755 32.500 0.116 0.000 0.753 323 K HN 0.629 nan 8.250 nan 0.000 0.466 324 L N -1.008 120.235 121.223 0.034 0.000 2.590 324 L HA 0.142 4.482 4.340 -0.000 0.000 0.227 324 L C 0.969 177.623 176.870 -0.359 0.000 1.099 324 L CA 0.435 55.208 54.840 -0.112 0.000 0.872 324 L CB 0.211 42.222 42.059 -0.079 0.000 1.088 324 L HN 0.323 nan 8.230 nan 0.000 0.479 325 G N 0.524 109.130 108.800 -0.323 0.000 2.141 325 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 325 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 325 G C 0.247 175.027 174.900 -0.200 0.000 0.984 325 G CA -0.046 44.798 45.100 -0.427 0.000 0.660 325 G HN 0.046 nan 8.290 nan 0.000 0.525 326 V N 1.393 121.237 119.914 -0.116 0.000 2.557 326 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 326 V C 1.817 177.894 176.094 -0.028 0.000 1.026 326 V CA 0.585 62.847 62.300 -0.063 0.000 1.137 326 V CB 0.538 32.346 31.823 -0.025 0.000 0.917 326 V HN 1.004 nan 8.190 nan 0.000 0.484 327 G N 3.968 112.752 108.800 -0.027 0.000 2.368 327 G HA2 0.191 4.151 3.960 -0.000 0.000 0.233 327 G HA3 0.191 4.151 3.960 -0.000 0.000 0.233 327 G C 0.865 175.788 174.900 0.038 0.000 1.267 327 G CA 0.286 45.387 45.100 0.002 0.000 0.873 327 G HN 1.145 nan 8.290 nan 0.000 0.539 328 S N 0.118 115.844 115.700 0.044 0.000 2.603 328 S HA 0.176 4.646 4.470 -0.000 0.000 0.232 328 S C 0.164 174.795 174.600 0.052 0.000 1.016 328 S CA -0.345 57.886 58.200 0.052 0.000 0.976 328 S CB 0.575 63.806 63.200 0.052 0.000 0.921 328 S HN 0.470 nan 8.310 nan 0.000 0.516 329 D N 2.550 122.982 120.400 0.054 0.000 2.348 329 D HA 0.455 5.095 4.640 -0.000 0.000 0.249 329 D C -0.616 175.711 176.300 0.046 0.000 1.110 329 D CA -0.142 53.892 54.000 0.056 0.000 0.967 329 D CB 0.808 41.646 40.800 0.064 0.000 1.139 329 D HN 0.136 nan 8.370 nan 0.000 0.466 330 D N -0.451 119.977 120.400 0.047 0.000 2.329 330 D HA 0.425 5.065 4.640 -0.000 0.000 0.246 330 D C -0.344 175.994 176.300 0.064 0.000 1.111 330 D CA 0.169 54.174 54.000 0.008 0.000 0.941 330 D CB 0.883 41.721 40.800 0.063 0.000 1.169 330 D HN 0.027 nan 8.370 nan 0.000 0.441 331 T N 0.119 114.678 114.554 0.009 0.000 2.991 331 T HA 0.411 4.761 4.350 -0.000 0.000 0.303 331 T C -0.664 174.159 174.700 0.205 0.000 1.015 331 T CA -0.615 61.531 62.100 0.077 0.000 1.007 331 T CB 1.370 70.201 68.868 -0.061 0.000 1.034 331 T HN -0.011 nan 8.240 nan 0.000 0.446 332 V N 2.435 122.559 119.914 0.350 0.000 2.435 332 V HA 0.842 4.962 4.120 -0.000 0.000 0.290 332 V C 0.079 176.399 176.094 0.376 0.000 1.030 332 V CA -0.786 61.770 62.300 0.426 0.000 0.881 332 V CB 1.520 33.541 31.823 0.331 0.000 0.983 332 V HN 1.088 nan 8.190 nan 0.000 0.445 333 A N 4.561 127.572 122.820 0.318 0.000 2.331 333 A HA 0.853 5.173 4.320 -0.000 0.000 0.320 333 A C -0.908 176.828 177.584 0.253 0.000 1.138 333 A CA -0.527 51.633 52.037 0.206 0.000 0.790 333 A CB 1.531 20.463 19.000 -0.113 0.000 1.206 333 A HN 0.650 nan 8.150 nan 0.000 0.470 334 V N 1.953 122.026 119.914 0.266 0.000 2.409 334 V HA 0.763 4.883 4.120 -0.000 0.000 0.291 334 V C 0.578 176.623 176.094 -0.081 0.000 1.020 334 V CA 0.018 62.389 62.300 0.119 0.000 0.848 334 V CB 1.650 33.626 31.823 0.255 0.000 0.990 334 V HN 1.216 nan 8.190 nan 0.000 0.430 335 G N 3.738 112.231 108.800 -0.512 0.000 2.571 335 G HA2 0.769 4.729 3.960 -0.000 0.000 0.304 335 G HA3 0.769 4.729 3.960 -0.000 0.000 0.304 335 G C -1.520 173.063 174.900 -0.528 0.000 1.314 335 G CA -0.547 44.132 45.100 -0.701 0.000 0.975 335 G HN 0.728 nan 8.290 nan 0.000 0.485 336 I N 2.070 122.502 120.570 -0.229 0.000 2.476 336 I HA 0.521 4.691 4.170 -0.000 0.000 0.281 336 I C -1.300 174.821 176.117 0.006 0.000 1.040 336 I CA -0.777 60.484 61.300 -0.065 0.000 1.094 336 I CB 1.499 39.499 38.000 0.000 0.000 1.219 336 I HN 0.190 nan 8.210 nan 0.000 0.450 337 V N 8.257 128.213 119.914 0.069 0.000 2.378 337 V HA 0.320 4.440 4.120 -0.000 0.000 0.288 337 V C -0.696 175.496 176.094 0.162 0.000 1.016 337 V CA -0.557 61.804 62.300 0.101 0.000 0.840 337 V CB 1.433 33.334 31.823 0.130 0.000 0.994 337 V HN 0.620 nan 8.190 nan 0.000 0.431 338 Y N 5.300 125.633 120.300 0.054 0.000 2.376 338 Y HA 0.725 5.275 4.550 -0.000 0.000 0.325 338 Y C 0.023 175.981 175.900 0.095 0.000 1.199 338 Y CA -0.297 57.855 58.100 0.085 0.000 1.206 338 Y CB 1.468 39.974 38.460 0.077 0.000 1.229 338 Y HN 0.734 nan 8.280 nan 0.000 0.480 339 Q N 4.989 124.279 119.800 -0.849 0.000 2.527 339 Q HA 0.453 4.793 4.340 -0.000 0.000 0.280 339 Q C -2.097 173.600 176.000 -0.505 0.000 0.977 339 Q CA -0.911 54.609 55.803 -0.472 0.000 0.837 339 Q CB 2.061 30.669 28.738 -0.217 0.000 1.454 339 Q HN 0.686 nan 8.270 nan 0.000 0.387 340 F N 0.000 119.827 119.950 -0.206 0.000 2.286 340 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 340 F CA 0.000 57.960 58.000 -0.067 0.000 1.383 340 F CB 0.000 39.043 39.000 0.072 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574