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 3fyx_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGCAVGL 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 0.000 177.704 177.584 0.200 0.000 1.274 1 A CA 0.000 52.168 52.037 0.219 0.000 0.836 1 A CB 0.000 19.208 19.000 0.346 0.000 0.831 2 E N 2.084 122.371 120.200 0.145 0.000 2.238 2 E HA 0.308 4.656 4.350 -0.003 0.000 0.264 2 E C 0.635 177.323 176.600 0.145 0.000 1.136 2 E CA 0.239 56.722 56.400 0.138 0.000 0.929 2 E CB 0.045 29.802 29.700 0.095 0.000 1.010 2 E HN 0.664 nan 8.360 nan 0.000 0.440 3 I N 2.184 122.861 120.570 0.179 0.000 4.082 3 I HA 0.328 4.496 4.170 -0.003 0.000 0.337 3 I C -0.592 175.654 176.117 0.215 0.000 1.352 3 I CA -0.539 60.866 61.300 0.175 0.000 1.097 3 I CB 0.367 38.481 38.000 0.189 0.000 1.048 3 I HN 0.320 nan 8.210 nan 0.000 0.393 4 Y N 1.741 122.078 120.300 0.062 0.000 2.441 4 Y HA 0.589 5.137 4.550 -0.003 0.000 0.334 4 Y C -1.582 174.343 175.900 0.043 0.000 1.061 4 Y CA -0.998 57.127 58.100 0.043 0.000 1.032 4 Y CB 1.469 39.947 38.460 0.030 0.000 1.266 4 Y HN 0.091 nan 8.280 nan 0.000 0.441 5 N N 5.392 123.871 118.700 -0.370 0.000 2.747 5 N HA 0.277 5.015 4.740 -0.003 0.000 0.262 5 N C -2.162 173.128 175.510 -0.366 0.000 1.261 5 N CA -0.388 52.534 53.050 -0.214 0.000 0.809 5 N CB 0.827 39.279 38.487 -0.058 0.000 1.450 5 N HN 0.547 nan 8.380 nan 0.000 0.560 6 K N 1.233 121.419 120.400 -0.356 0.000 2.527 6 K HA 0.337 4.655 4.320 -0.003 0.000 0.260 6 K C -0.817 175.793 176.600 0.018 0.000 0.937 6 K CA -0.392 55.784 56.287 -0.185 0.000 0.826 6 K CB 1.329 33.669 32.500 -0.267 0.000 1.359 6 K HN 0.439 nan 8.250 nan 0.000 0.434 7 D N 1.036 121.448 120.400 0.021 0.000 2.751 7 D HA -0.207 4.431 4.640 -0.003 0.000 0.233 7 D C 0.790 177.132 176.300 0.070 0.000 1.149 7 D CA 1.874 55.906 54.000 0.052 0.000 0.682 7 D CB -1.001 39.841 40.800 0.069 0.000 1.068 7 D HN 0.985 nan 8.370 nan 0.000 0.429 8 G N -0.300 108.537 108.800 0.062 0.000 2.205 8 G HA2 -0.386 3.572 3.960 -0.003 0.000 0.261 8 G HA3 -0.386 3.572 3.960 -0.003 0.000 0.261 8 G C 0.204 175.164 174.900 0.100 0.000 0.980 8 G CA 0.374 45.517 45.100 0.072 0.000 0.632 8 G HN 0.615 nan 8.290 nan 0.000 0.533 9 N N 0.900 119.683 118.700 0.139 0.000 2.414 9 N HA 0.509 5.247 4.740 -0.003 0.000 0.256 9 N C -0.039 175.607 175.510 0.227 0.000 1.029 9 N CA -0.157 52.999 53.050 0.176 0.000 0.948 9 N CB 0.533 39.132 38.487 0.187 0.000 1.102 9 N HN 0.705 nan 8.380 nan 0.000 0.496 10 K N 1.301 121.811 120.400 0.183 0.000 2.292 10 K HA 0.613 4.931 4.320 -0.003 0.000 0.257 10 K C -1.430 175.287 176.600 0.195 0.000 0.940 10 K CA -0.878 55.526 56.287 0.195 0.000 0.811 10 K CB 1.474 34.049 32.500 0.126 0.000 1.120 10 K HN 0.078 nan 8.250 nan 0.000 0.428 11 V N 2.742 122.794 119.914 0.229 0.000 2.409 11 V HA 0.241 4.359 4.120 -0.003 0.000 0.291 11 V C -0.980 175.237 176.094 0.205 0.000 1.020 11 V CA -0.696 61.717 62.300 0.187 0.000 0.848 11 V CB 1.404 33.292 31.823 0.108 0.000 0.990 11 V HN 0.920 nan 8.190 nan 0.000 0.430 12 D N 4.335 124.870 120.400 0.225 0.000 2.303 12 D HA 0.395 5.033 4.640 -0.003 0.000 0.236 12 D C -0.961 175.538 176.300 0.331 0.000 1.068 12 D CA -0.387 53.755 54.000 0.237 0.000 0.830 12 D CB 1.972 42.877 40.800 0.175 0.000 1.109 12 D HN 0.419 nan 8.370 nan 0.000 0.496 13 L N 6.421 127.824 121.223 0.301 0.000 2.280 13 L HA 0.429 4.767 4.340 -0.003 0.000 0.287 13 L C -1.402 175.586 176.870 0.196 0.000 1.023 13 L CA -0.607 54.410 54.840 0.295 0.000 0.819 13 L CB 0.500 42.734 42.059 0.292 0.000 1.212 13 L HN 0.360 nan 8.230 nan 0.000 0.420 14 Y N 2.966 123.163 120.300 -0.172 0.000 2.512 14 Y HA 1.003 5.551 4.550 -0.003 0.000 0.348 14 Y C -0.158 175.250 175.900 -0.820 0.000 0.990 14 Y CA -0.597 57.099 58.100 -0.674 0.000 1.033 14 Y CB 1.734 39.971 38.460 -0.372 0.000 1.259 14 Y HN 0.668 nan 8.280 nan 0.000 0.461 15 G N -0.059 107.905 108.800 -1.394 0.000 2.606 15 G HA2 0.635 4.594 3.960 -0.003 0.000 0.300 15 G HA3 0.635 4.594 3.960 -0.003 0.000 0.300 15 G C -1.663 173.062 174.900 -0.292 0.000 1.360 15 G CA -0.527 44.188 45.100 -0.643 0.000 0.783 15 G HN 1.522 nan 8.290 nan 0.000 0.484 16 C N -2.327 116.971 119.300 -0.003 0.000 3.312 16 C HA 0.926 5.384 4.460 -0.003 0.000 0.332 16 C C -0.317 174.709 174.990 0.060 0.000 1.340 16 C CA -0.541 58.506 59.018 0.048 0.000 1.265 16 C CB 1.167 28.887 27.740 -0.034 0.000 1.563 16 C HN 2.020 nan 8.230 nan 0.000 0.471 17 A N 0.840 123.703 122.820 0.070 0.000 2.340 17 A HA 0.735 5.053 4.320 -0.003 0.000 0.297 17 A C -0.849 176.690 177.584 -0.075 0.000 1.195 17 A CA -0.361 51.683 52.037 0.012 0.000 0.769 17 A CB 0.737 19.796 19.000 0.099 0.000 1.163 17 A HN 1.516 nan 8.150 nan 0.000 0.472 18 V N 3.075 122.834 119.914 -0.258 0.000 2.225 18 V HA 0.371 4.489 4.120 -0.003 0.000 0.264 18 V C 1.081 177.079 176.094 -0.159 0.000 1.067 18 V CA -0.233 61.892 62.300 -0.292 0.000 0.903 18 V CB 0.682 32.140 31.823 -0.608 0.000 1.136 18 V HN 1.037 nan 8.190 nan 0.000 0.456 19 G N 3.538 112.300 108.800 -0.063 0.000 2.248 19 G HA2 0.356 4.314 3.960 -0.003 0.000 0.260 19 G HA3 0.356 4.314 3.960 -0.003 0.000 0.260 19 G C -0.843 174.083 174.900 0.042 0.000 1.214 19 G CA 0.302 45.403 45.100 0.003 0.000 0.979 19 G HN 0.532 nan 8.290 nan 0.000 0.454 20 L N 2.150 123.436 121.223 0.105 0.000 2.445 20 L HA 0.740 5.078 4.340 -0.003 0.000 0.262 20 L C -1.058 175.926 176.870 0.189 0.000 0.974 20 L CA -1.066 53.889 54.840 0.191 0.000 0.822 20 L CB 2.371 44.586 42.059 0.260 0.000 1.339 20 L HN 0.643 nan 8.230 nan 0.000 0.409 21 H N 2.299 121.476 119.070 0.178 0.000 2.768 21 H HA 0.710 5.265 4.556 -0.003 0.000 0.371 21 H C -1.668 173.851 175.328 0.318 0.000 1.151 21 H CA -0.309 55.785 56.048 0.077 0.000 1.165 21 H CB 1.528 31.282 29.762 -0.014 0.000 1.722 21 H HN 0.499 nan 8.280 nan 0.000 0.543 22 Y N 2.652 122.785 120.300 -0.278 0.000 2.429 22 Y HA 0.379 4.927 4.550 -0.003 0.000 0.342 22 Y C -0.991 174.812 175.900 -0.161 0.000 1.004 22 Y CA -1.310 56.773 58.100 -0.028 0.000 1.075 22 Y CB 1.004 39.468 38.460 0.007 0.000 1.214 22 Y HN 0.511 nan 8.280 nan 0.000 0.455 23 F N 1.471 121.617 119.950 0.327 0.000 2.460 23 F HA 0.612 5.137 4.527 -0.003 0.000 0.341 23 F C -0.148 175.752 175.800 0.167 0.000 1.130 23 F CA -0.291 57.853 58.000 0.240 0.000 0.962 23 F CB 1.733 40.849 39.000 0.193 0.000 1.171 23 F HN 0.266 nan 8.300 nan 0.000 0.436 24 S N 2.247 118.121 115.700 0.290 0.000 2.579 24 S HA 0.483 4.951 4.470 -0.003 0.000 0.272 24 S C -1.052 173.649 174.600 0.169 0.000 1.141 24 S CA -1.388 56.933 58.200 0.202 0.000 0.843 24 S CB 2.268 65.557 63.200 0.149 0.000 1.122 24 S HN 0.520 nan 8.310 nan 0.000 0.468 25 K N 0.616 121.098 120.400 0.136 0.000 2.107 25 K HA 0.698 5.016 4.320 -0.003 0.000 0.251 25 K C 0.813 177.465 176.600 0.087 0.000 1.012 25 K CA -0.118 56.234 56.287 0.109 0.000 0.920 25 K CB -0.025 32.532 32.500 0.094 0.000 1.033 25 K HN 1.004 nan 8.250 nan 0.000 0.478 26 G N 1.470 110.315 108.800 0.074 0.000 2.601 26 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.261 26 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.261 26 G C 0.489 175.422 174.900 0.056 0.000 1.289 26 G CA 0.331 45.467 45.100 0.060 0.000 0.920 26 G HN 0.825 nan 8.290 nan 0.000 0.571 27 N N 1.922 120.649 118.700 0.044 0.000 2.289 27 N HA -0.046 4.692 4.740 -0.003 0.000 0.184 27 N C 2.140 177.673 175.510 0.037 0.000 1.016 27 N CA 2.439 55.510 53.050 0.035 0.000 0.872 27 N CB -0.673 37.830 38.487 0.026 0.000 0.973 27 N HN 2.142 nan 8.380 nan 0.000 0.433 28 G N 1.081 109.910 108.800 0.048 0.000 2.143 28 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.248 28 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.248 28 G C 0.596 175.515 174.900 0.032 0.000 0.991 28 G CA 0.611 45.742 45.100 0.051 0.000 0.689 28 G HN 0.568 nan 8.290 nan 0.000 0.522 29 E N -0.145 120.070 120.200 0.025 0.000 2.265 29 E HA -0.084 4.265 4.350 -0.003 0.000 0.196 29 E C 1.771 178.377 176.600 0.011 0.000 0.996 29 E CA 1.048 57.456 56.400 0.013 0.000 0.832 29 E CB -0.108 29.602 29.700 0.016 0.000 0.756 29 E HN 0.627 nan 8.360 nan 0.000 0.491 30 N N 0.345 119.061 118.700 0.025 0.000 2.177 30 N HA -0.011 4.727 4.740 -0.003 0.000 0.218 30 N C -0.159 175.374 175.510 0.037 0.000 1.182 30 N CA 0.057 53.124 53.050 0.028 0.000 0.882 30 N CB 0.631 39.142 38.487 0.040 0.000 1.052 30 N HN 0.031 nan 8.380 nan 0.000 0.519 31 S N -0.744 114.981 115.700 0.042 0.000 2.681 31 S HA 0.074 4.543 4.470 -0.003 0.000 0.270 31 S C 1.136 175.764 174.600 0.046 0.000 1.209 31 S CA -0.620 57.615 58.200 0.059 0.000 0.988 31 S CB 0.684 63.929 63.200 0.075 0.000 1.006 31 S HN 0.240 nan 8.310 nan 0.000 0.558 32 Y N 1.359 121.602 120.300 -0.095 0.000 2.089 32 Y HA 0.142 4.690 4.550 -0.003 0.000 0.282 32 Y C 2.098 177.906 175.900 -0.154 0.000 1.139 32 Y CA 2.099 60.098 58.100 -0.169 0.000 1.123 32 Y CB -0.967 37.301 38.460 -0.320 0.000 0.980 32 Y HN 0.747 nan 8.280 nan 0.000 0.493 33 G N -0.972 107.647 108.800 -0.302 0.000 3.159 33 G HA2 0.443 4.401 3.960 -0.003 0.000 0.232 33 G HA3 0.443 4.401 3.960 -0.003 0.000 0.232 33 G C 0.405 175.386 174.900 0.136 0.000 1.116 33 G CA 0.333 45.286 45.100 -0.245 0.000 0.767 33 G HN 0.940 nan 8.290 nan 0.000 0.547 34 G N -0.178 108.675 108.800 0.088 0.000 2.610 34 G HA2 -0.092 3.866 3.960 -0.003 0.000 0.304 34 G HA3 -0.092 3.866 3.960 -0.003 0.000 0.304 34 G C -1.053 173.940 174.900 0.156 0.000 1.309 34 G CA -0.178 44.989 45.100 0.112 0.000 0.906 34 G HN 0.725 nan 8.290 nan 0.000 0.521 35 N N 0.302 119.039 118.700 0.061 0.000 2.406 35 N HA 0.626 5.364 4.740 -0.003 0.000 0.283 35 N C 0.192 175.613 175.510 -0.148 0.000 1.074 35 N CA 1.136 54.187 53.050 0.002 0.000 0.916 35 N CB 1.695 40.200 38.487 0.031 0.000 1.639 35 N HN 2.573 nan 8.380 nan 0.000 0.485 36 G N 2.239 110.812 108.800 -0.377 0.000 2.384 36 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.204 36 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.204 36 G C -1.340 172.981 174.900 -0.965 0.000 1.237 36 G CA -0.639 44.108 45.100 -0.588 0.000 1.060 36 G HN 0.614 nan 8.290 nan 0.000 0.514 37 D N 0.308 120.390 120.400 -0.529 0.000 2.424 37 D HA 0.557 5.195 4.640 -0.003 0.000 0.244 37 D C 1.134 177.244 176.300 -0.317 0.000 1.134 37 D CA 0.147 53.953 54.000 -0.324 0.000 0.881 37 D CB 0.582 41.331 40.800 -0.086 0.000 1.191 37 D HN 0.313 nan 8.370 nan 0.000 0.445 38 M N 1.823 121.265 119.600 -0.263 0.000 2.821 38 M HA 0.054 4.532 4.480 -0.003 0.000 0.432 38 M C -0.336 175.951 176.300 -0.022 0.000 1.291 38 M CA -0.268 54.855 55.300 -0.295 0.000 0.838 38 M CB -0.147 31.995 32.600 -0.764 0.000 1.505 38 M HN 0.164 nan 8.290 nan 0.000 0.523 39 T N 2.478 117.058 114.554 0.044 0.000 2.928 39 T HA 0.307 4.655 4.350 -0.003 0.000 0.305 39 T C -0.423 174.409 174.700 0.220 0.000 1.035 39 T CA 0.506 62.678 62.100 0.120 0.000 1.145 39 T CB 0.155 69.058 68.868 0.057 0.000 0.963 39 T HN 0.363 nan 8.240 nan 0.000 0.545 40 Y N -0.671 119.647 120.300 0.030 0.000 2.625 40 Y HA 0.774 5.322 4.550 -0.003 0.000 0.338 40 Y C -0.953 175.002 175.900 0.091 0.000 1.123 40 Y CA -2.035 56.097 58.100 0.054 0.000 1.046 40 Y CB 0.849 39.324 38.460 0.025 0.000 1.299 40 Y HN 0.771 nan 8.280 nan 0.000 0.464 41 A N 2.437 125.380 122.820 0.204 0.000 2.413 41 A HA 0.956 5.274 4.320 -0.003 0.000 0.307 41 A C -1.053 176.700 177.584 0.282 0.000 1.087 41 A CA -1.190 50.935 52.037 0.147 0.000 0.750 41 A CB 1.693 20.790 19.000 0.162 0.000 1.296 41 A HN 0.730 nan 8.150 nan 0.000 0.423 42 R N -0.082 120.523 120.500 0.175 0.000 2.795 42 R HA 0.780 5.118 4.340 -0.003 0.000 0.275 42 R C -2.018 174.291 176.300 0.014 0.000 0.981 42 R CA -0.765 55.401 56.100 0.111 0.000 0.917 42 R CB 2.080 32.410 30.300 0.050 0.000 1.202 42 R HN 0.675 nan 8.270 nan 0.000 0.469 43 L N -0.387 120.757 121.223 -0.132 0.000 2.545 43 L HA 0.738 5.076 4.340 -0.003 0.000 0.258 43 L C -1.157 175.310 176.870 -0.671 0.000 0.942 43 L CA 0.014 54.685 54.840 -0.282 0.000 0.855 43 L CB 2.477 44.599 42.059 0.106 0.000 1.374 43 L HN 0.820 nan 8.230 nan 0.000 0.411 44 G N 2.198 110.450 108.800 -0.913 0.000 2.506 44 G HA2 0.578 4.536 3.960 -0.003 0.000 0.292 44 G HA3 0.578 4.536 3.960 -0.003 0.000 0.292 44 G C -2.083 172.629 174.900 -0.313 0.000 1.425 44 G CA -0.309 44.305 45.100 -0.809 0.000 0.788 44 G HN 0.846 nan 8.290 nan 0.000 0.490 45 F N -0.752 119.305 119.950 0.178 0.000 2.539 45 F HA 0.789 5.314 4.527 -0.003 0.000 0.318 45 F C -0.376 175.604 175.800 0.299 0.000 1.135 45 F CA -1.475 56.699 58.000 0.291 0.000 0.915 45 F CB 2.051 41.185 39.000 0.223 0.000 1.176 45 F HN 0.232 nan 8.300 nan 0.000 0.440 46 K N 3.061 123.730 120.400 0.448 0.000 2.264 46 K HA 0.583 4.901 4.320 -0.003 0.000 0.277 46 K C 0.067 176.853 176.600 0.311 0.000 1.067 46 K CA -0.531 55.913 56.287 0.260 0.000 0.900 46 K CB 1.490 34.044 32.500 0.089 0.000 1.124 46 K HN 1.029 nan 8.250 nan 0.000 0.469 47 G N 2.088 111.096 108.800 0.347 0.000 2.441 47 G HA2 0.412 4.370 3.960 -0.003 0.000 0.334 47 G HA3 0.412 4.370 3.960 -0.003 0.000 0.334 47 G C -1.215 173.833 174.900 0.247 0.000 1.161 47 G CA -0.263 44.999 45.100 0.270 0.000 0.935 47 G HN 0.577 nan 8.290 nan 0.000 0.488 48 E N -0.656 119.664 120.200 0.201 0.000 2.347 48 E HA 0.469 4.817 4.350 -0.003 0.000 0.285 48 E C -1.675 175.022 176.600 0.163 0.000 0.925 48 E CA -0.559 55.963 56.400 0.203 0.000 0.779 48 E CB 2.328 32.129 29.700 0.169 0.000 1.233 48 E HN 0.455 nan 8.360 nan 0.000 0.414 49 T N 2.779 117.430 114.554 0.162 0.000 2.893 49 T HA 0.317 4.665 4.350 -0.003 0.000 0.293 49 T C -1.278 173.498 174.700 0.125 0.000 1.027 49 T CA -0.465 61.712 62.100 0.129 0.000 0.988 49 T CB 1.525 70.456 68.868 0.106 0.000 1.043 49 T HN 0.418 nan 8.240 nan 0.000 0.461 50 Q N 3.979 123.842 119.800 0.106 0.000 2.331 50 Q HA 0.381 4.720 4.340 -0.003 0.000 0.257 50 Q C 0.716 176.769 176.000 0.089 0.000 0.957 50 Q CA -0.304 55.558 55.803 0.098 0.000 0.923 50 Q CB 1.405 30.193 28.738 0.083 0.000 1.212 50 Q HN 0.683 nan 8.270 nan 0.000 0.443 51 I N 1.689 122.316 120.570 0.095 0.000 2.400 51 I HA -0.160 4.008 4.170 -0.003 0.000 0.248 51 I C 0.526 176.689 176.117 0.077 0.000 1.109 51 I CA 0.975 62.323 61.300 0.080 0.000 1.425 51 I CB 0.077 38.126 38.000 0.081 0.000 1.094 51 I HN 0.655 nan 8.210 nan 0.000 0.425 52 N N -2.629 116.127 118.700 0.092 0.000 3.587 52 N HA 0.238 4.976 4.740 -0.003 0.000 0.339 52 N C 0.322 175.886 175.510 0.090 0.000 1.636 52 N CA -0.475 52.627 53.050 0.086 0.000 0.788 52 N CB 0.415 38.956 38.487 0.090 0.000 2.205 52 N HN -0.363 nan 8.380 nan 0.000 0.600 53 S N -0.750 114.999 115.700 0.082 0.000 2.338 53 S HA -0.067 4.401 4.470 -0.003 0.000 0.218 53 S C 0.638 175.288 174.600 0.083 0.000 1.032 53 S CA 1.192 59.434 58.200 0.070 0.000 0.999 53 S CB -0.641 62.591 63.200 0.054 0.000 0.905 53 S HN 0.507 nan 8.310 nan 0.000 0.439 54 D N 0.390 120.859 120.400 0.115 0.000 2.378 54 D HA 0.087 4.725 4.640 -0.003 0.000 0.222 54 D C -0.177 176.269 176.300 0.242 0.000 0.980 54 D CA 0.431 54.504 54.000 0.122 0.000 0.907 54 D CB 0.033 40.935 40.800 0.169 0.000 0.899 54 D HN 0.148 nan 8.370 nan 0.000 0.527 55 L N -0.114 121.252 121.223 0.239 0.000 2.410 55 L HA 0.343 4.681 4.340 -0.003 0.000 0.270 55 L C -0.946 176.034 176.870 0.184 0.000 0.983 55 L CA -0.220 54.780 54.840 0.266 0.000 0.822 55 L CB 2.462 44.661 42.059 0.232 0.000 1.285 55 L HN -0.361 nan 8.230 nan 0.000 0.409 56 T N 3.490 118.164 114.554 0.201 0.000 2.881 56 T HA 0.704 5.052 4.350 -0.003 0.000 0.291 56 T C -0.146 174.706 174.700 0.254 0.000 0.990 56 T CA -0.519 61.699 62.100 0.196 0.000 0.976 56 T CB 1.455 70.429 68.868 0.176 0.000 0.970 56 T HN 0.800 nan 8.240 nan 0.000 0.438 57 G N 2.508 111.436 108.800 0.213 0.000 2.356 57 G HA2 0.671 4.629 3.960 -0.003 0.000 0.322 57 G HA3 0.671 4.629 3.960 -0.003 0.000 0.322 57 G C -1.130 173.924 174.900 0.257 0.000 1.125 57 G CA -0.692 44.520 45.100 0.186 0.000 0.885 57 G HN 0.714 nan 8.290 nan 0.000 0.467 58 Y N -0.160 120.224 120.300 0.140 0.000 2.638 58 Y HA 0.874 5.422 4.550 -0.003 0.000 0.339 58 Y C 0.093 176.110 175.900 0.195 0.000 1.084 58 Y CA -1.448 56.750 58.100 0.164 0.000 1.068 58 Y CB 1.795 40.362 38.460 0.178 0.000 1.294 58 Y HN 0.849 nan 8.280 nan 0.000 0.480 59 G N 0.738 109.725 108.800 0.313 0.000 2.732 59 G HA2 0.493 4.451 3.960 -0.003 0.000 0.296 59 G HA3 0.493 4.451 3.960 -0.003 0.000 0.296 59 G C -2.569 172.393 174.900 0.103 0.000 1.448 59 G CA -0.929 44.281 45.100 0.183 0.000 0.911 59 G HN 0.820 nan 8.290 nan 0.000 0.528 60 Q N -0.110 119.506 119.800 -0.306 0.000 2.345 60 Q HA 0.591 4.929 4.340 -0.003 0.000 0.275 60 Q C -2.161 173.513 176.000 -0.543 0.000 1.063 60 Q CA -1.013 54.508 55.803 -0.469 0.000 0.819 60 Q CB 2.972 31.313 28.738 -0.662 0.000 1.356 60 Q HN 0.659 nan 8.270 nan 0.000 0.418 61 W N 3.698 124.476 121.300 -0.870 0.000 3.042 61 W HA 0.481 5.139 4.660 -0.003 0.000 0.337 61 W C -1.835 174.399 176.519 -0.475 0.000 1.086 61 W CA -0.307 56.616 57.345 -0.704 0.000 1.236 61 W CB 1.376 30.312 29.460 -0.873 0.000 1.381 61 W HN 0.661 nan 8.180 nan 0.000 0.472 62 E N 4.954 124.578 120.200 -0.959 0.000 2.266 62 E HA 0.435 4.783 4.350 -0.003 0.000 0.268 62 E C -2.271 173.697 176.600 -1.054 0.000 0.879 62 E CA -0.922 54.932 56.400 -0.910 0.000 0.762 62 E CB 2.219 31.712 29.700 -0.346 0.000 1.199 62 E HN 0.529 nan 8.360 nan 0.000 0.422 63 Y N 2.907 122.543 120.300 -1.106 0.000 2.421 63 Y HA 0.342 4.890 4.550 -0.003 0.000 0.339 63 Y C -1.103 174.450 175.900 -0.579 0.000 0.996 63 Y CA -0.945 56.640 58.100 -0.858 0.000 1.046 63 Y CB 1.779 39.671 38.460 -0.946 0.000 1.226 63 Y HN 0.608 nan 8.280 nan 0.000 0.445 64 N N 4.231 122.530 118.700 -0.669 0.000 2.414 64 N HA 0.328 5.066 4.740 -0.003 0.000 0.256 64 N C -1.837 173.480 175.510 -0.321 0.000 1.029 64 N CA -0.072 52.763 53.050 -0.359 0.000 0.948 64 N CB 0.366 38.637 38.487 -0.361 0.000 1.102 64 N HN 0.358 nan 8.380 nan 0.000 0.496 65 F N 1.675 121.728 119.950 0.171 0.000 2.427 65 F HA 0.358 4.883 4.527 -0.003 0.000 0.346 65 F C 0.441 176.326 175.800 0.143 0.000 1.120 65 F CA -0.765 57.353 58.000 0.197 0.000 1.033 65 F CB 1.483 40.593 39.000 0.183 0.000 1.126 65 F HN 0.208 nan 8.300 nan 0.000 0.462 66 Q N 1.726 121.685 119.800 0.265 0.000 2.256 66 Q HA 0.319 4.657 4.340 -0.003 0.000 0.254 66 Q C 0.844 176.938 176.000 0.157 0.000 0.916 66 Q CA -0.101 55.805 55.803 0.172 0.000 0.932 66 Q CB 1.806 30.590 28.738 0.076 0.000 1.207 66 Q HN 0.965 nan 8.270 nan 0.000 0.426 67 G N 2.018 110.897 108.800 0.133 0.000 3.088 67 G HA2 -0.092 3.867 3.960 -0.003 0.000 0.217 67 G HA3 -0.092 3.867 3.960 -0.003 0.000 0.217 67 G C 0.550 175.480 174.900 0.049 0.000 1.159 67 G CA -0.164 44.988 45.100 0.087 0.000 0.760 67 G HN 0.571 nan 8.290 nan 0.000 0.550 68 N N 0.459 119.179 118.700 0.033 0.000 2.235 68 N HA 0.064 4.802 4.740 -0.003 0.000 0.209 68 N C -0.355 175.155 175.510 -0.001 0.000 1.122 68 N CA -0.460 52.590 53.050 0.000 0.000 0.845 68 N CB -0.033 38.429 38.487 -0.041 0.000 1.004 68 N HN -0.024 nan 8.380 nan 0.000 0.499 69 N N 0.757 119.467 118.700 0.016 0.000 2.498 69 N HA 0.109 4.847 4.740 -0.003 0.000 0.287 69 N C -0.007 175.513 175.510 0.016 0.000 1.097 69 N CA -0.387 52.672 53.050 0.015 0.000 0.973 69 N CB 1.518 40.021 38.487 0.027 0.000 1.153 69 N HN 0.261 nan 8.380 nan 0.000 0.472 70 S N 0.167 115.874 115.700 0.011 0.000 2.579 70 S HA 0.054 4.522 4.470 -0.003 0.000 0.275 70 S C 0.667 175.276 174.600 0.015 0.000 1.345 70 S CA -0.303 57.903 58.200 0.011 0.000 1.031 70 S CB 0.517 63.722 63.200 0.007 0.000 0.892 70 S HN 0.490 nan 8.310 nan 0.000 0.529 71 E N 1.869 122.077 120.200 0.013 0.000 2.505 71 E HA 0.040 4.388 4.350 -0.003 0.000 0.197 71 E C 1.339 177.948 176.600 0.014 0.000 1.111 71 E CA 0.327 56.735 56.400 0.015 0.000 0.887 71 E CB -0.425 29.280 29.700 0.010 0.000 0.913 71 E HN 0.808 nan 8.360 nan 0.000 0.517 72 G N 1.003 109.810 108.800 0.013 0.000 2.672 72 G HA2 0.145 4.103 3.960 -0.003 0.000 0.200 72 G HA3 0.145 4.103 3.960 -0.003 0.000 0.200 72 G C 1.163 176.071 174.900 0.013 0.000 1.819 72 G CA 0.572 45.678 45.100 0.011 0.000 0.902 72 G HN 0.258 nan 8.290 nan 0.000 0.512 73 A N 0.285 123.112 122.820 0.011 0.000 1.993 73 A HA 0.164 4.482 4.320 -0.003 0.000 0.207 73 A C 1.827 179.419 177.584 0.012 0.000 1.224 73 A CA 1.416 53.459 52.037 0.011 0.000 0.749 73 A CB -0.158 18.847 19.000 0.007 0.000 0.884 73 A HN 0.503 nan 8.150 nan 0.000 0.467 74 D N 0.878 121.284 120.400 0.010 0.000 2.392 74 D HA 0.029 4.667 4.640 -0.003 0.000 0.228 74 D C 1.532 177.842 176.300 0.018 0.000 1.003 74 D CA 0.873 54.878 54.000 0.009 0.000 0.917 74 D CB -0.196 40.606 40.800 0.002 0.000 0.890 74 D HN 0.335 nan 8.370 nan 0.000 0.532 75 A N 0.721 123.556 122.820 0.025 0.000 2.042 75 A HA -0.235 4.084 4.320 -0.003 0.000 0.222 75 A C 2.163 179.783 177.584 0.060 0.000 1.167 75 A CA 1.337 53.398 52.037 0.040 0.000 0.649 75 A CB -0.289 18.734 19.000 0.038 0.000 0.809 75 A HN 0.115 nan 8.150 nan 0.000 0.457 76 Q N -0.577 119.255 119.800 0.053 0.000 2.319 76 Q HA 0.076 4.415 4.340 -0.003 0.000 0.202 76 Q C -0.065 175.965 176.000 0.051 0.000 0.896 76 Q CA 0.273 56.118 55.803 0.070 0.000 0.942 76 Q CB -0.009 28.765 28.738 0.060 0.000 1.083 76 Q HN 0.544 nan 8.270 nan 0.000 0.510 77 T N 0.376 114.946 114.554 0.027 0.000 2.888 77 T HA 0.294 4.642 4.350 -0.003 0.000 0.301 77 T C 0.997 175.685 174.700 -0.019 0.000 1.001 77 T CA 0.888 62.986 62.100 -0.003 0.000 1.147 77 T CB 0.711 69.572 68.868 -0.013 0.000 0.931 77 T HN 0.514 nan 8.240 nan 0.000 0.541 78 G N 3.400 112.169 108.800 -0.052 0.000 2.155 78 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.257 78 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.257 78 G C 0.048 174.873 174.900 -0.125 0.000 0.983 78 G CA -0.481 44.563 45.100 -0.092 0.000 0.676 78 G HN 0.672 nan 8.290 nan 0.000 0.528 79 N N 1.328 119.974 118.700 -0.091 0.000 2.514 79 N HA 0.598 5.336 4.740 -0.003 0.000 0.277 79 N C 0.226 175.526 175.510 -0.351 0.000 1.126 79 N CA 0.343 53.297 53.050 -0.160 0.000 0.978 79 N CB 1.043 39.583 38.487 0.088 0.000 1.106 79 N HN 0.776 nan 8.380 nan 0.000 0.461 80 K N -1.130 118.727 120.400 -0.905 0.000 2.610 80 K HA 0.292 4.610 4.320 -0.003 0.000 0.278 80 K C -1.477 174.268 176.600 -1.425 0.000 0.964 80 K CA -0.779 54.997 56.287 -0.852 0.000 0.859 80 K CB 0.333 32.555 32.500 -0.463 0.000 1.434 80 K HN 0.195 nan 8.250 nan 0.000 0.410 81 T N 2.392 116.538 114.554 -0.679 0.000 2.761 81 T HA 0.192 4.540 4.350 -0.003 0.000 0.296 81 T C 0.980 175.465 174.700 -0.358 0.000 0.934 81 T CA -0.268 61.636 62.100 -0.327 0.000 1.091 81 T CB 0.735 69.670 68.868 0.110 0.000 0.896 81 T HN 0.477 nan 8.240 nan 0.000 0.515 82 R N 2.131 122.379 120.500 -0.419 0.000 2.112 82 R HA 0.290 4.628 4.340 -0.003 0.000 0.216 82 R C 0.189 176.311 176.300 -0.297 0.000 1.080 82 R CA 0.659 56.548 56.100 -0.352 0.000 0.996 82 R CB 0.192 30.288 30.300 -0.340 0.000 0.902 82 R HN 0.470 nan 8.270 nan 0.000 0.449 83 L N -0.617 120.440 121.223 -0.276 0.000 2.388 83 L HA 0.705 5.043 4.340 -0.003 0.000 0.264 83 L C -1.189 175.590 176.870 -0.151 0.000 0.998 83 L CA -1.096 53.629 54.840 -0.191 0.000 0.817 83 L CB 2.385 44.334 42.059 -0.184 0.000 1.338 83 L HN -0.072 nan 8.230 nan 0.000 0.414 84 A N 3.095 125.871 122.820 -0.074 0.000 2.579 84 A HA 0.698 5.016 4.320 -0.003 0.000 0.288 84 A C -1.231 176.363 177.584 0.017 0.000 1.079 84 A CA -0.364 51.657 52.037 -0.028 0.000 0.889 84 A CB 0.470 19.539 19.000 0.115 0.000 1.439 84 A HN 0.609 nan 8.150 nan 0.000 0.399 85 F N -0.181 119.772 119.950 0.006 0.000 2.745 85 F HA 0.977 5.502 4.527 -0.003 0.000 0.316 85 F C -0.416 175.367 175.800 -0.027 0.000 1.155 85 F CA -1.171 56.812 58.000 -0.029 0.000 0.937 85 F CB 1.050 40.020 39.000 -0.050 0.000 1.361 85 F HN 1.201 nan 8.300 nan 0.000 0.472 86 A N 0.153 123.162 122.820 0.316 0.000 2.574 86 A HA 0.942 5.261 4.320 -0.003 0.000 0.297 86 A C -0.810 176.600 177.584 -0.289 0.000 1.062 86 A CA -0.208 51.839 52.037 0.016 0.000 0.686 86 A CB 1.330 20.331 19.000 0.001 0.000 1.285 86 A HN 2.151 nan 8.150 nan 0.000 0.403 87 G N -0.592 107.762 108.800 -0.744 0.000 2.608 87 G HA2 0.602 4.561 3.960 -0.003 0.000 0.291 87 G HA3 0.602 4.561 3.960 -0.003 0.000 0.291 87 G C -2.034 172.586 174.900 -0.467 0.000 1.425 87 G CA -0.613 44.058 45.100 -0.715 0.000 0.787 87 G HN 0.855 nan 8.290 nan 0.000 0.484 88 L N 0.620 121.855 121.223 0.021 0.000 2.372 88 L HA 0.464 4.802 4.340 -0.003 0.000 0.274 88 L C -0.136 176.943 176.870 0.348 0.000 0.988 88 L CA -0.674 54.289 54.840 0.204 0.000 0.833 88 L CB 2.195 44.359 42.059 0.175 0.000 1.236 88 L HN 0.330 nan 8.230 nan 0.000 0.410 89 K N 3.214 123.838 120.400 0.375 0.000 2.250 89 K HA 0.211 4.529 4.320 -0.003 0.000 0.285 89 K C -1.107 175.671 176.600 0.296 0.000 1.097 89 K CA -0.503 55.958 56.287 0.291 0.000 0.913 89 K CB 0.525 33.149 32.500 0.207 0.000 1.179 89 K HN 0.269 nan 8.250 nan 0.000 0.462 90 Y N 3.314 123.686 120.300 0.120 0.000 2.425 90 Y HA 0.157 4.705 4.550 -0.003 0.000 0.347 90 Y C 1.064 176.999 175.900 0.059 0.000 0.976 90 Y CA -0.414 57.739 58.100 0.088 0.000 1.190 90 Y CB -0.180 38.332 38.460 0.087 0.000 1.136 90 Y HN 0.872 nan 8.280 nan 0.000 0.517 91 A N 4.362 127.035 122.820 -0.245 0.000 3.958 91 A HA -0.404 3.914 4.320 -0.003 0.000 0.329 91 A C 1.725 179.179 177.584 -0.216 0.000 1.874 91 A CA 2.760 54.607 52.037 -0.316 0.000 0.886 91 A CB -1.394 17.262 19.000 -0.573 0.000 1.111 91 A HN 0.731 nan 8.150 nan 0.000 0.396 92 D N -2.095 118.150 120.400 -0.258 0.000 2.417 92 D HA 0.289 4.927 4.640 -0.003 0.000 0.207 92 D C 1.834 178.047 176.300 -0.146 0.000 1.075 92 D CA 0.826 54.740 54.000 -0.142 0.000 0.851 92 D CB 0.267 41.026 40.800 -0.070 0.000 0.976 92 D HN 0.222 nan 8.370 nan 0.000 0.505 93 V N 0.168 120.001 119.914 -0.136 0.000 2.453 93 V HA 0.204 4.322 4.120 -0.003 0.000 0.247 93 V C 1.515 177.555 176.094 -0.091 0.000 1.048 93 V CA 1.467 63.749 62.300 -0.030 0.000 1.049 93 V CB -0.188 31.753 31.823 0.196 0.000 0.672 93 V HN 0.332 nan 8.190 nan 0.000 0.457 94 G N -0.449 108.365 108.800 0.024 0.000 2.373 94 G HA2 0.361 4.319 3.960 -0.003 0.000 0.250 94 G HA3 0.361 4.319 3.960 -0.003 0.000 0.250 94 G C -0.915 174.097 174.900 0.187 0.000 1.304 94 G CA 0.032 45.179 45.100 0.079 0.000 0.948 94 G HN 0.918 nan 8.290 nan 0.000 0.474 95 S N -1.266 114.583 115.700 0.248 0.000 2.652 95 S HA 0.623 5.091 4.470 -0.003 0.000 0.273 95 S C -1.398 173.443 174.600 0.402 0.000 1.172 95 S CA -0.517 57.848 58.200 0.275 0.000 1.009 95 S CB 1.436 64.705 63.200 0.116 0.000 1.094 95 S HN 1.959 nan 8.310 nan 0.000 0.471 96 F N 2.864 122.974 119.950 0.268 0.000 2.493 96 F HA 0.744 5.270 4.527 -0.003 0.000 0.329 96 F C -1.366 174.525 175.800 0.152 0.000 1.126 96 F CA -0.665 57.473 58.000 0.231 0.000 0.937 96 F CB 1.493 40.609 39.000 0.193 0.000 1.146 96 F HN 0.793 nan 8.300 nan 0.000 0.442 97 D N 4.186 124.134 120.400 -0.753 0.000 2.896 97 D HA 0.307 4.945 4.640 -0.003 0.000 0.241 97 D C -1.883 174.018 176.300 -0.665 0.000 1.188 97 D CA -0.510 53.045 54.000 -0.742 0.000 0.879 97 D CB 1.554 42.129 40.800 -0.375 0.000 1.553 97 D HN 0.486 nan 8.370 nan 0.000 0.515 98 Y N 1.733 121.668 120.300 -0.608 0.000 2.487 98 Y HA 0.751 5.299 4.550 -0.003 0.000 0.337 98 Y C 0.529 176.401 175.900 -0.046 0.000 1.076 98 Y CA 0.561 58.520 58.100 -0.234 0.000 1.115 98 Y CB 1.797 40.203 38.460 -0.090 0.000 1.235 98 Y HN 0.896 nan 8.280 nan 0.000 0.468 99 G N 3.718 112.052 108.800 -0.777 0.000 2.373 99 G HA2 0.065 4.023 3.960 -0.003 0.000 0.250 99 G HA3 0.065 4.023 3.960 -0.003 0.000 0.250 99 G C -1.775 172.911 174.900 -0.358 0.000 1.304 99 G CA -1.113 43.727 45.100 -0.433 0.000 0.948 99 G HN 0.782 nan 8.290 nan 0.000 0.474 100 R N 0.753 121.179 120.500 -0.124 0.000 2.221 100 R HA 0.630 4.968 4.340 -0.003 0.000 0.327 100 R C -0.578 175.720 176.300 -0.003 0.000 1.033 100 R CA -0.380 55.658 56.100 -0.104 0.000 0.887 100 R CB 0.643 30.887 30.300 -0.094 0.000 1.057 100 R HN 0.648 nan 8.270 nan 0.000 0.455 101 N N 2.602 121.260 118.700 -0.069 0.000 3.020 101 N HA 0.160 4.898 4.740 -0.003 0.000 0.248 101 N C -1.737 173.702 175.510 -0.117 0.000 1.480 101 N CA -0.705 52.334 53.050 -0.018 0.000 0.874 101 N CB 0.660 39.137 38.487 -0.017 0.000 1.433 101 N HN 0.360 nan 8.380 nan 0.000 0.530 102 Y N 0.492 120.771 120.300 -0.034 0.000 2.526 102 Y HA 0.315 4.863 4.550 -0.003 0.000 0.330 102 Y C 1.623 177.548 175.900 0.042 0.000 1.156 102 Y CA 0.730 58.794 58.100 -0.059 0.000 1.419 102 Y CB 0.310 38.718 38.460 -0.087 0.000 1.250 102 Y HN 0.452 nan 8.280 nan 0.000 0.540 103 G N 1.418 110.367 108.800 0.249 0.000 2.539 103 G HA2 0.311 4.269 3.960 -0.003 0.000 0.258 103 G HA3 0.311 4.269 3.960 -0.003 0.000 0.258 103 G C 0.903 176.014 174.900 0.352 0.000 1.202 103 G CA -0.290 44.986 45.100 0.294 0.000 0.851 103 G HN 0.754 nan 8.290 nan 0.000 0.556 104 V N 0.884 121.001 119.914 0.338 0.000 2.370 104 V HA -0.222 3.896 4.120 -0.003 0.000 0.252 104 V C 2.709 178.916 176.094 0.188 0.000 1.068 104 V CA 1.896 64.328 62.300 0.220 0.000 1.061 104 V CB -1.232 30.675 31.823 0.140 0.000 0.656 104 V HN 0.413 nan 8.190 nan 0.000 0.455 105 V N -0.423 119.627 119.914 0.227 0.000 2.332 105 V HA -0.303 3.815 4.120 -0.003 0.000 0.248 105 V C 2.412 178.602 176.094 0.160 0.000 1.055 105 V CA 2.621 65.022 62.300 0.169 0.000 1.038 105 V CB -1.063 30.881 31.823 0.201 0.000 0.651 105 V HN 0.646 nan 8.190 nan 0.000 0.450 106 Y N 1.249 121.628 120.300 0.133 0.000 2.446 106 Y HA -0.258 4.290 4.550 -0.003 0.000 0.287 106 Y C 2.161 178.075 175.900 0.023 0.000 1.159 106 Y CA 1.548 59.703 58.100 0.091 0.000 1.297 106 Y CB -0.345 38.220 38.460 0.174 0.000 0.974 106 Y HN 0.364 nan 8.280 nan 0.000 0.557 107 D N -0.558 119.879 120.400 0.062 0.000 2.309 107 D HA -0.138 4.500 4.640 -0.003 0.000 0.212 107 D C 1.879 178.072 176.300 -0.178 0.000 0.968 107 D CA 1.181 55.170 54.000 -0.019 0.000 0.882 107 D CB -0.020 40.804 40.800 0.040 0.000 0.918 107 D HN 0.539 nan 8.370 nan 0.000 0.503 108 A N -0.128 122.558 122.820 -0.223 0.000 1.963 108 A HA 0.138 4.457 4.320 -0.003 0.000 0.211 108 A C 2.172 179.522 177.584 -0.390 0.000 1.380 108 A CA -0.133 51.682 52.037 -0.370 0.000 0.690 108 A CB -0.578 18.308 19.000 -0.190 0.000 1.060 108 A HN 0.100 nan 8.150 nan 0.000 0.498 109 L N 0.451 121.508 121.223 -0.277 0.000 2.187 109 L HA -0.147 4.192 4.340 -0.003 0.000 0.213 109 L C 2.681 179.345 176.870 -0.343 0.000 1.100 109 L CA 0.900 55.598 54.840 -0.236 0.000 0.765 109 L CB -0.746 41.230 42.059 -0.138 0.000 0.904 109 L HN 0.540 nan 8.230 nan 0.000 0.437 110 G N -0.642 107.720 108.800 -0.730 0.000 2.505 110 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.220 110 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.220 110 G C 1.213 176.048 174.900 -0.108 0.000 1.145 110 G CA 0.817 45.408 45.100 -0.848 0.000 0.761 110 G HN 0.214 nan 8.290 nan 0.000 0.571 111 Y N 1.791 121.987 120.300 -0.174 0.000 2.073 111 Y HA -0.263 4.285 4.550 -0.003 0.000 0.270 111 Y C 3.226 179.202 175.900 0.127 0.000 1.226 111 Y CA 1.742 59.862 58.100 0.033 0.000 1.117 111 Y CB -1.248 37.224 38.460 0.020 0.000 0.939 111 Y HN 0.373 nan 8.280 nan 0.000 0.504 112 T N -2.785 111.898 114.554 0.215 0.000 3.188 112 T HA 0.077 4.425 4.350 -0.003 0.000 0.250 112 T C 0.298 175.069 174.700 0.118 0.000 1.077 112 T CA 0.366 62.572 62.100 0.177 0.000 0.967 112 T CB -0.167 68.775 68.868 0.122 0.000 1.006 112 T HN 0.058 nan 8.240 nan 0.000 0.552 113 D N 1.239 121.686 120.400 0.079 0.000 2.631 113 D HA 0.249 4.887 4.640 -0.003 0.000 0.227 113 D C 0.556 176.882 176.300 0.043 0.000 1.146 113 D CA -0.366 53.685 54.000 0.085 0.000 1.009 113 D CB -0.147 40.741 40.800 0.146 0.000 1.057 113 D HN 0.180 nan 8.370 nan 0.000 0.509 114 M N 1.624 121.242 119.600 0.030 0.000 2.314 114 M HA 0.140 4.618 4.480 -0.003 0.000 0.383 114 M C -0.172 176.121 176.300 -0.011 0.000 0.984 114 M CA -0.200 55.069 55.300 -0.051 0.000 0.982 114 M CB 0.396 32.881 32.600 -0.193 0.000 1.745 114 M HN 0.142 nan 8.290 nan 0.000 0.600 115 L N 1.492 122.734 121.223 0.032 0.000 2.417 115 L HA 0.149 4.487 4.340 -0.003 0.000 0.268 115 L C -0.952 175.882 176.870 -0.061 0.000 1.158 115 L CA -1.346 53.508 54.840 0.023 0.000 0.819 115 L CB -0.046 42.061 42.059 0.079 0.000 1.112 115 L HN -0.094 nan 8.230 nan 0.000 0.458 116 P HA -0.225 nan 4.420 nan 0.000 0.218 116 P C 0.867 177.798 177.300 -0.616 0.000 1.154 116 P CA 1.369 64.280 63.100 -0.314 0.000 0.872 116 P CB 0.410 31.913 31.700 -0.330 0.000 0.790 117 E N -3.394 116.464 120.200 -0.570 0.000 2.717 117 E HA 0.178 4.526 4.350 -0.003 0.000 0.204 117 E C 0.734 177.003 176.600 -0.551 0.000 0.911 117 E CA 0.216 56.186 56.400 -0.717 0.000 1.370 117 E CB -0.145 28.896 29.700 -1.099 0.000 1.315 117 E HN -0.039 nan 8.360 nan 0.000 0.643 118 F N 0.272 120.172 119.950 -0.083 0.000 2.616 118 F HA 0.690 5.215 4.527 -0.003 0.000 0.278 118 F C 1.401 177.220 175.800 0.031 0.000 1.125 118 F CA 0.079 58.071 58.000 -0.014 0.000 1.056 118 F CB -0.361 38.621 39.000 -0.030 0.000 1.992 118 F HN 0.159 nan 8.300 nan 0.000 0.571 119 G N -0.824 108.176 108.800 0.334 0.000 2.782 119 G HA2 0.332 4.291 3.960 -0.003 0.000 0.228 119 G HA3 0.332 4.291 3.960 -0.003 0.000 0.228 119 G C 0.451 175.467 174.900 0.194 0.000 1.372 119 G CA -0.154 45.109 45.100 0.271 0.000 0.862 119 G HN 1.928 nan 8.290 nan 0.000 0.547 120 G N -1.145 107.736 108.800 0.136 0.000 2.366 120 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.299 120 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.299 120 G C 0.517 175.438 174.900 0.034 0.000 1.020 120 G CA 1.349 46.504 45.100 0.091 0.000 1.026 120 G HN 1.299 nan 8.290 nan 0.000 0.512 121 D N -0.725 119.685 120.400 0.017 0.000 2.317 121 D HA 0.057 4.695 4.640 -0.003 0.000 0.211 121 D C 2.520 178.599 176.300 -0.369 0.000 0.966 121 D CA 1.555 55.523 54.000 -0.054 0.000 0.876 121 D CB 0.097 40.954 40.800 0.095 0.000 0.927 121 D HN 0.573 nan 8.370 nan 0.000 0.519 122 T N -2.357 112.001 114.554 -0.327 0.000 3.144 122 T HA 0.319 4.667 4.350 -0.003 0.000 0.249 122 T C 1.092 175.501 174.700 -0.484 0.000 1.089 122 T CA -0.245 61.568 62.100 -0.478 0.000 0.989 122 T CB 0.163 68.931 68.868 -0.167 0.000 0.992 122 T HN 0.028 nan 8.240 nan 0.000 0.540 123 A N 1.156 123.763 122.820 -0.354 0.000 3.258 123 A HA 0.547 4.865 4.320 -0.003 0.000 0.275 123 A C -0.473 177.073 177.584 -0.064 0.000 1.452 123 A CA -0.907 51.108 52.037 -0.036 0.000 1.120 123 A CB -0.936 18.212 19.000 0.247 0.000 1.107 123 A HN 0.561 nan 8.150 nan 0.000 0.651 124 Y N 0.005 120.364 120.300 0.097 0.000 2.550 124 Y HA 0.201 4.749 4.550 -0.003 0.000 0.343 124 Y C 1.258 177.152 175.900 -0.009 0.000 1.245 124 Y CA 0.288 58.411 58.100 0.039 0.000 1.462 124 Y CB 0.507 38.995 38.460 0.046 0.000 1.340 124 Y HN 0.298 nan 8.280 nan 0.000 0.604 125 S N 1.271 117.035 115.700 0.105 0.000 2.523 125 S HA 0.154 4.622 4.470 -0.003 0.000 0.275 125 S C -0.405 174.169 174.600 -0.044 0.000 1.281 125 S CA -0.689 57.494 58.200 -0.029 0.000 1.050 125 S CB -0.083 63.066 63.200 -0.085 0.000 0.937 125 S HN 0.784 nan 8.310 nan 0.000 0.492 126 D N 1.388 121.725 120.400 -0.106 0.000 2.708 126 D HA -0.179 4.459 4.640 -0.003 0.000 0.236 126 D C -0.648 175.532 176.300 -0.201 0.000 1.146 126 D CA 0.731 54.631 54.000 -0.168 0.000 0.662 126 D CB -0.959 39.744 40.800 -0.162 0.000 1.059 126 D HN 0.539 nan 8.370 nan 0.000 0.428 127 D N -1.305 119.036 120.400 -0.098 0.000 3.123 127 D HA 0.363 5.002 4.640 -0.003 0.000 0.305 127 D C 0.462 176.815 176.300 0.089 0.000 1.373 127 D CA -0.476 53.524 54.000 0.000 0.000 0.889 127 D CB -0.021 40.941 40.800 0.271 0.000 1.070 127 D HN 0.158 nan 8.370 nan 0.000 0.494 128 F N -1.039 118.830 119.950 -0.136 0.000 2.542 128 F HA -0.425 4.101 4.527 -0.003 0.000 0.731 128 F C 0.951 176.383 175.800 -0.613 0.000 0.485 128 F CA 1.523 59.276 58.000 -0.411 0.000 0.731 128 F CB -1.290 37.561 39.000 -0.249 0.000 1.600 128 F HN 0.198 nan 8.300 nan 0.000 0.273 129 F N -1.391 118.714 119.950 0.258 0.000 2.876 129 F HA 0.301 4.826 4.527 -0.003 0.000 0.344 129 F C 1.540 177.453 175.800 0.187 0.000 1.029 129 F CA 0.512 58.615 58.000 0.171 0.000 1.154 129 F CB 0.069 39.140 39.000 0.118 0.000 1.040 129 F HN 0.031 nan 8.300 nan 0.000 0.576 130 V N -2.126 118.007 119.914 0.364 0.000 3.217 130 V HA 0.529 4.647 4.120 -0.003 0.000 0.264 130 V C 0.916 177.212 176.094 0.335 0.000 1.135 130 V CA 1.256 63.747 62.300 0.318 0.000 1.142 130 V CB -0.849 31.132 31.823 0.263 0.000 0.754 130 V HN 0.201 nan 8.190 nan 0.000 0.484 131 G N -0.099 108.836 108.800 0.225 0.000 3.003 131 G HA2 0.471 4.429 3.960 -0.003 0.000 0.243 131 G HA3 0.471 4.429 3.960 -0.003 0.000 0.243 131 G C -1.075 173.767 174.900 -0.096 0.000 1.176 131 G CA -1.289 43.861 45.100 0.083 0.000 0.812 131 G HN 0.200 nan 8.290 nan 0.000 0.584 132 R N 0.403 120.715 120.500 -0.313 0.000 2.216 132 R HA 0.501 4.839 4.340 -0.003 0.000 0.332 132 R C -0.470 175.677 176.300 -0.255 0.000 1.056 132 R CA -0.195 55.638 56.100 -0.445 0.000 0.901 132 R CB 1.161 31.079 30.300 -0.638 0.000 1.039 132 R HN 0.402 nan 8.270 nan 0.000 0.456 133 V N -0.437 119.353 119.914 -0.206 0.000 3.046 133 V HA 0.780 4.899 4.120 -0.003 0.000 0.316 133 V C 0.422 176.414 176.094 -0.171 0.000 1.104 133 V CA -1.266 60.924 62.300 -0.183 0.000 1.006 133 V CB 2.013 33.720 31.823 -0.192 0.000 1.058 133 V HN 0.771 nan 8.190 nan 0.000 0.440 134 G N -0.327 108.377 108.800 -0.159 0.000 2.368 134 G HA2 0.615 4.573 3.960 -0.003 0.000 0.320 134 G HA3 0.615 4.573 3.960 -0.003 0.000 0.320 134 G C 0.575 175.392 174.900 -0.138 0.000 1.158 134 G CA -0.215 44.797 45.100 -0.148 0.000 0.912 134 G HN 2.177 nan 8.290 nan 0.000 0.456 135 G N 0.018 108.681 108.800 -0.229 0.000 2.270 135 G HA2 0.098 4.056 3.960 -0.003 0.000 0.224 135 G HA3 0.098 4.056 3.960 -0.003 0.000 0.224 135 G C -0.023 174.845 174.900 -0.054 0.000 1.079 135 G CA 0.021 45.017 45.100 -0.173 0.000 0.807 135 G HN 1.924 nan 8.290 nan 0.000 0.492 136 V N -2.168 117.620 119.914 -0.209 0.000 2.334 136 V HA 0.900 5.018 4.120 -0.003 0.000 0.281 136 V C 0.548 176.709 176.094 0.112 0.000 1.016 136 V CA -0.684 61.629 62.300 0.021 0.000 0.832 136 V CB 1.210 33.033 31.823 -0.001 0.000 0.999 136 V HN 1.678 nan 8.190 nan 0.000 0.439 137 A N 4.039 127.110 122.820 0.418 0.000 2.320 137 A HA 0.770 5.088 4.320 -0.003 0.000 0.287 137 A C 0.443 178.307 177.584 0.466 0.000 1.181 137 A CA -0.210 52.139 52.037 0.519 0.000 0.831 137 A CB 0.329 19.753 19.000 0.707 0.000 1.102 137 A HN 0.962 nan 8.150 nan 0.000 0.513 138 T N 2.085 116.833 114.554 0.323 0.000 2.848 138 T HA 0.446 4.794 4.350 -0.003 0.000 0.285 138 T C -1.298 173.666 174.700 0.440 0.000 0.995 138 T CA -0.142 62.155 62.100 0.328 0.000 0.970 138 T CB 0.963 69.911 68.868 0.133 0.000 0.976 138 T HN 0.507 nan 8.240 nan 0.000 0.441 139 Y N 3.419 123.929 120.300 0.349 0.000 2.334 139 Y HA 0.602 5.150 4.550 -0.003 0.000 0.336 139 Y C -0.277 175.705 175.900 0.136 0.000 0.960 139 Y CA -1.245 57.026 58.100 0.283 0.000 1.164 139 Y CB 0.706 39.352 38.460 0.309 0.000 1.155 139 Y HN 0.513 nan 8.280 nan 0.000 0.478 140 R N 4.977 125.176 120.500 -0.501 0.000 2.514 140 R HA 0.361 4.699 4.340 -0.003 0.000 0.301 140 R C -1.028 174.700 176.300 -0.953 0.000 0.962 140 R CA -0.898 54.837 56.100 -0.608 0.000 0.882 140 R CB 1.669 31.803 30.300 -0.278 0.000 1.143 140 R HN 0.744 nan 8.270 nan 0.000 0.452 141 N N 0.997 119.045 118.700 -1.085 0.000 2.354 141 N HA 0.197 4.935 4.740 -0.003 0.000 0.287 141 N C -1.236 173.920 175.510 -0.589 0.000 1.016 141 N CA -0.270 52.174 53.050 -1.009 0.000 0.871 141 N CB 1.627 39.197 38.487 -1.528 0.000 1.299 141 N HN 0.396 nan 8.380 nan 0.000 0.482 142 S N 2.481 117.963 115.700 -0.364 0.000 2.499 142 S HA 0.225 4.693 4.470 -0.003 0.000 0.279 142 S C 0.181 174.732 174.600 -0.082 0.000 1.219 142 S CA -0.526 57.569 58.200 -0.175 0.000 1.062 142 S CB 0.584 63.710 63.200 -0.123 0.000 0.978 142 S HN 0.762 nan 8.310 nan 0.000 0.489 143 N N 1.500 120.220 118.700 0.034 0.000 2.725 143 N HA -0.221 4.517 4.740 -0.003 0.000 0.249 143 N C -0.191 175.469 175.510 0.250 0.000 1.103 143 N CA 0.615 53.746 53.050 0.136 0.000 0.707 143 N CB -1.755 36.793 38.487 0.101 0.000 1.043 143 N HN 0.786 nan 8.380 nan 0.000 0.553 144 F N 0.132 120.147 119.950 0.108 0.000 2.384 144 F HA -0.325 4.200 4.527 -0.004 0.000 0.199 144 F C 0.239 176.287 175.800 0.413 0.000 1.027 144 F CA 0.974 59.154 58.000 0.299 0.000 0.870 144 F CB -1.613 37.573 39.000 0.309 0.000 0.895 144 F HN 0.262 nan 8.300 nan 0.000 0.818 145 F N 1.162 121.006 119.950 -0.177 0.000 3.084 145 F HA -0.252 4.274 4.527 -0.002 0.000 0.286 145 F C 1.547 177.330 175.800 -0.029 0.000 0.855 145 F CA 1.413 59.333 58.000 -0.134 0.000 1.091 145 F CB -1.438 37.432 39.000 -0.216 0.000 1.177 145 F HN 1.161 nan 8.300 nan 0.000 0.542 146 G N -0.392 108.482 108.800 0.124 0.000 2.160 146 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.251 146 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.251 146 G C 0.656 175.640 174.900 0.141 0.000 1.008 146 G CA 0.387 45.549 45.100 0.104 0.000 0.724 146 G HN 0.557 nan 8.290 nan 0.000 0.514 147 L N -1.335 120.016 121.223 0.214 0.000 2.577 147 L HA 0.313 4.652 4.340 -0.003 0.000 0.225 147 L C 0.680 177.663 176.870 0.187 0.000 1.053 147 L CA 0.353 55.315 54.840 0.203 0.000 0.866 147 L CB 0.742 42.948 42.059 0.245 0.000 1.132 147 L HN 0.099 nan 8.230 nan 0.000 0.486 148 V N 0.433 120.488 119.914 0.235 0.000 2.326 148 V HA 0.226 4.344 4.120 -0.003 0.000 0.281 148 V C -0.782 175.417 176.094 0.174 0.000 1.015 148 V CA -0.909 61.482 62.300 0.152 0.000 0.823 148 V CB 1.272 33.135 31.823 0.066 0.000 1.009 148 V HN 0.028 nan 8.190 nan 0.000 0.436 149 D N 4.320 124.820 120.400 0.167 0.000 2.389 149 D HA 0.322 4.960 4.640 -0.003 0.000 0.263 149 D C 1.250 177.725 176.300 0.292 0.000 1.255 149 D CA 1.913 56.029 54.000 0.192 0.000 0.914 149 D CB 1.113 42.010 40.800 0.160 0.000 1.116 149 D HN 1.007 nan 8.370 nan 0.000 0.502 150 G N 2.633 111.583 108.800 0.251 0.000 2.157 150 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.248 150 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.248 150 G C 0.193 175.348 174.900 0.426 0.000 0.979 150 G CA -0.032 45.236 45.100 0.280 0.000 0.650 150 G HN 0.489 nan 8.290 nan 0.000 0.529 151 L N 2.016 123.456 121.223 0.362 0.000 2.259 151 L HA 0.675 5.013 4.340 -0.003 0.000 0.288 151 L C -0.586 176.440 176.870 0.258 0.000 1.051 151 L CA -1.085 53.925 54.840 0.284 0.000 0.824 151 L CB 0.511 42.602 42.059 0.054 0.000 1.206 151 L HN 0.201 nan 8.230 nan 0.000 0.429 152 N N 5.340 124.181 118.700 0.234 0.000 2.240 152 N HA 0.588 5.327 4.740 -0.003 0.000 0.302 152 N C -0.941 174.693 175.510 0.208 0.000 1.106 152 N CA -0.301 52.826 53.050 0.128 0.000 0.778 152 N CB 2.012 40.528 38.487 0.048 0.000 1.431 152 N HN 0.486 nan 8.380 nan 0.000 0.479 153 F N -1.112 118.884 119.950 0.077 0.000 2.691 153 F HA 0.972 5.497 4.527 -0.003 0.000 0.334 153 F C -1.173 174.619 175.800 -0.014 0.000 1.107 153 F CA -1.314 56.724 58.000 0.063 0.000 0.991 153 F CB 1.322 40.397 39.000 0.125 0.000 1.400 153 F HN 0.515 nan 8.300 nan 0.000 0.503 154 A N 0.946 123.942 122.820 0.293 0.000 2.517 154 A HA 0.649 4.967 4.320 -0.003 0.000 0.297 154 A C -2.124 175.650 177.584 0.316 0.000 1.050 154 A CA -0.594 51.539 52.037 0.160 0.000 0.694 154 A CB 1.501 20.535 19.000 0.056 0.000 1.277 154 A HN 1.593 nan 8.150 nan 0.000 0.400 155 V N 2.420 122.548 119.914 0.356 0.000 2.409 155 V HA 0.684 4.803 4.120 -0.003 0.000 0.291 155 V C -0.405 175.847 176.094 0.264 0.000 1.020 155 V CA -0.213 62.260 62.300 0.288 0.000 0.848 155 V CB 1.316 33.353 31.823 0.357 0.000 0.990 155 V HN 1.016 nan 8.190 nan 0.000 0.430 156 Q N 4.726 124.590 119.800 0.107 0.000 2.348 156 Q HA 0.554 4.892 4.340 -0.003 0.000 0.271 156 Q C -2.075 173.947 176.000 0.037 0.000 1.067 156 Q CA -0.766 55.159 55.803 0.203 0.000 0.839 156 Q CB 2.502 31.391 28.738 0.252 0.000 1.354 156 Q HN 0.826 nan 8.270 nan 0.000 0.447 157 Y N 1.971 122.443 120.300 0.287 0.000 2.326 157 Y HA 0.357 4.905 4.550 -0.004 0.000 0.329 157 Y C -0.719 175.330 175.900 0.249 0.000 0.973 157 Y CA -0.903 57.354 58.100 0.262 0.000 1.162 157 Y CB 1.555 40.156 38.460 0.235 0.000 1.147 157 Y HN 0.472 nan 8.280 nan 0.000 0.456 158 L N 3.435 124.855 121.223 0.328 0.000 2.289 158 L HA 0.787 5.126 4.340 -0.003 0.000 0.285 158 L C 0.179 177.158 176.870 0.182 0.000 1.049 158 L CA -0.283 54.664 54.840 0.178 0.000 0.804 158 L CB 1.144 43.200 42.059 -0.005 0.000 1.195 158 L HN 0.712 nan 8.230 nan 0.000 0.428 159 G N 4.049 112.942 108.800 0.154 0.000 2.370 159 G HA2 0.221 4.179 3.960 -0.003 0.000 0.317 159 G HA3 0.221 4.179 3.960 -0.003 0.000 0.317 159 G C -0.629 174.323 174.900 0.087 0.000 1.162 159 G CA -0.775 44.416 45.100 0.152 0.000 0.922 159 G HN 0.818 nan 8.290 nan 0.000 0.454 160 K N 3.003 123.451 120.400 0.080 0.000 2.364 160 K HA -0.102 4.217 4.320 -0.003 0.000 0.265 160 K C -0.569 176.048 176.600 0.029 0.000 1.189 160 K CA 0.346 56.664 56.287 0.052 0.000 1.224 160 K CB 0.013 32.546 32.500 0.056 0.000 0.813 160 K HN 0.393 nan 8.250 nan 0.000 0.490 161 N N 5.226 123.922 118.700 -0.006 0.000 2.589 161 N HA 0.074 4.813 4.740 -0.003 0.000 0.232 161 N C -1.103 174.391 175.510 -0.026 0.000 1.015 161 N CA -0.242 52.794 53.050 -0.023 0.000 0.931 161 N CB 1.242 39.692 38.487 -0.062 0.000 1.150 161 N HN 0.568 nan 8.380 nan 0.000 0.512 162 E N 2.507 122.703 120.200 -0.006 0.000 2.052 162 E HA 0.201 4.549 4.350 -0.003 0.000 0.283 162 E C 0.048 176.643 176.600 -0.009 0.000 1.071 162 E CA -0.080 56.318 56.400 -0.003 0.000 0.851 162 E CB 1.310 31.015 29.700 0.010 0.000 1.066 162 E HN 0.265 nan 8.360 nan 0.000 0.396 163 R N 1.771 122.261 120.500 -0.017 0.000 2.856 163 R HA 0.251 4.589 4.340 -0.003 0.000 0.258 163 R C 0.518 176.810 176.300 -0.012 0.000 1.066 163 R CA -0.909 55.179 56.100 -0.020 0.000 1.045 163 R CB 0.986 31.264 30.300 -0.036 0.000 1.178 163 R HN 0.376 nan 8.270 nan 0.000 0.499 164 D N 0.583 120.974 120.400 -0.015 0.000 2.265 164 D HA -0.076 4.562 4.640 -0.003 0.000 0.208 164 D C -0.078 176.214 176.300 -0.014 0.000 0.977 164 D CA 1.595 55.588 54.000 -0.012 0.000 0.871 164 D CB 0.254 41.045 40.800 -0.014 0.000 0.925 164 D HN 0.361 nan 8.370 nan 0.000 0.485 165 T N -0.487 114.055 114.554 -0.020 0.000 2.856 165 T HA 0.463 4.812 4.350 -0.003 0.000 0.283 165 T C 0.976 175.674 174.700 -0.004 0.000 1.008 165 T CA -0.520 61.567 62.100 -0.023 0.000 0.997 165 T CB 2.300 71.142 68.868 -0.044 0.000 0.992 165 T HN -0.112 nan 8.240 nan 0.000 0.454 166 A N 2.665 125.497 122.820 0.020 0.000 1.898 166 A HA -0.056 4.262 4.320 -0.003 0.000 0.216 166 A C 2.218 179.900 177.584 0.164 0.000 1.181 166 A CA 1.614 53.717 52.037 0.110 0.000 0.620 166 A CB -0.541 18.552 19.000 0.155 0.000 0.819 166 A HN 0.754 nan 8.150 nan 0.000 0.442 167 R N -0.278 120.213 120.500 -0.014 0.000 2.119 167 R HA -0.169 4.169 4.340 -0.003 0.000 0.246 167 R C 1.786 178.074 176.300 -0.020 0.000 1.146 167 R CA 2.080 58.128 56.100 -0.087 0.000 0.962 167 R CB -0.240 29.957 30.300 -0.173 0.000 0.863 167 R HN 0.370 nan 8.270 nan 0.000 0.442 168 R N -0.096 120.374 120.500 -0.050 0.000 2.265 168 R HA 0.292 4.630 4.340 -0.003 0.000 0.194 168 R C 0.552 176.777 176.300 -0.124 0.000 0.931 168 R CA 0.265 56.310 56.100 -0.092 0.000 1.032 168 R CB -0.056 30.195 30.300 -0.082 0.000 0.980 168 R HN 0.117 nan 8.270 nan 0.000 0.497 169 S N 2.211 117.857 115.700 -0.089 0.000 2.626 169 S HA 0.240 4.708 4.470 -0.003 0.000 0.257 169 S C 0.426 174.877 174.600 -0.248 0.000 1.288 169 S CA -0.315 57.821 58.200 -0.108 0.000 0.980 169 S CB 0.540 63.722 63.200 -0.030 0.000 0.975 169 S HN 0.456 nan 8.310 nan 0.000 0.577 170 N N -1.044 117.545 118.700 -0.185 0.000 4.107 170 N HA 0.200 4.938 4.740 -0.003 0.000 0.213 170 N C -0.651 174.866 175.510 0.012 0.000 1.216 170 N CA -0.680 52.256 53.050 -0.189 0.000 0.925 170 N CB 0.533 38.717 38.487 -0.505 0.000 1.541 170 N HN 0.649 nan 8.380 nan 0.000 0.524 171 G N -0.371 108.516 108.800 0.144 0.000 2.702 171 G HA2 0.302 4.260 3.960 -0.003 0.000 0.254 171 G HA3 0.302 4.260 3.960 -0.003 0.000 0.254 171 G C -0.705 174.263 174.900 0.113 0.000 1.380 171 G CA -0.483 44.681 45.100 0.107 0.000 1.042 171 G HN 0.626 nan 8.290 nan 0.000 0.557 172 D N 0.159 120.621 120.400 0.104 0.000 2.425 172 D HA 0.443 5.081 4.640 -0.003 0.000 0.247 172 D C 0.320 176.704 176.300 0.140 0.000 1.147 172 D CA 0.958 55.030 54.000 0.120 0.000 0.879 172 D CB 1.358 42.222 40.800 0.107 0.000 1.179 172 D HN 0.486 nan 8.370 nan 0.000 0.456 173 G N 0.365 109.273 108.800 0.180 0.000 2.682 173 G HA2 0.554 4.512 3.960 -0.003 0.000 0.290 173 G HA3 0.554 4.512 3.960 -0.003 0.000 0.290 173 G C -1.329 173.720 174.900 0.247 0.000 1.425 173 G CA -0.350 44.889 45.100 0.232 0.000 0.807 173 G HN 0.363 nan 8.290 nan 0.000 0.482 174 V N -1.002 119.017 119.914 0.175 0.000 3.078 174 V HA 0.998 5.116 4.120 -0.003 0.000 0.311 174 V C 0.490 176.462 176.094 -0.203 0.000 1.138 174 V CA 0.184 62.468 62.300 -0.027 0.000 1.007 174 V CB 2.140 33.866 31.823 -0.162 0.000 1.045 174 V HN 1.521 nan 8.190 nan 0.000 0.432 175 G N -0.092 108.545 108.800 -0.271 0.000 2.660 175 G HA2 0.819 4.777 3.960 -0.003 0.000 0.290 175 G HA3 0.819 4.777 3.960 -0.003 0.000 0.290 175 G C -0.774 174.016 174.900 -0.183 0.000 1.432 175 G CA 0.004 44.835 45.100 -0.449 0.000 0.807 175 G HN 1.216 nan 8.290 nan 0.000 0.485 176 G N -1.296 107.432 108.800 -0.119 0.000 2.663 176 G HA2 0.930 4.888 3.960 -0.003 0.000 0.299 176 G HA3 0.930 4.888 3.960 -0.003 0.000 0.299 176 G C -0.779 174.161 174.900 0.067 0.000 1.372 176 G CA 0.384 45.501 45.100 0.029 0.000 0.781 176 G HN 2.005 nan 8.290 nan 0.000 0.491 177 S N -1.450 114.327 115.700 0.129 0.000 2.580 177 S HA 0.618 5.086 4.470 -0.003 0.000 0.281 177 S C -1.547 173.165 174.600 0.186 0.000 1.129 177 S CA -0.755 57.523 58.200 0.130 0.000 0.862 177 S CB 1.020 64.281 63.200 0.102 0.000 1.090 177 S HN 0.862 nan 8.310 nan 0.000 0.451 178 I N 2.466 123.129 120.570 0.156 0.000 2.499 178 I HA 0.588 4.756 4.170 -0.003 0.000 0.288 178 I C -0.443 175.767 176.117 0.155 0.000 1.048 178 I CA -0.497 60.917 61.300 0.190 0.000 1.062 178 I CB 2.369 40.466 38.000 0.162 0.000 1.238 178 I HN 0.899 nan 8.210 nan 0.000 0.426 179 S N 5.527 121.335 115.700 0.180 0.000 2.521 179 S HA 0.616 5.084 4.470 -0.003 0.000 0.295 179 S C -1.321 173.450 174.600 0.286 0.000 1.098 179 S CA -0.669 57.648 58.200 0.195 0.000 0.999 179 S CB 1.982 65.279 63.200 0.161 0.000 1.034 179 S HN 0.487 nan 8.310 nan 0.000 0.483 180 Y N 1.636 122.016 120.300 0.132 0.000 2.350 180 Y HA 0.466 5.015 4.550 -0.003 0.000 0.338 180 Y C -0.618 175.383 175.900 0.168 0.000 0.961 180 Y CA -1.344 56.837 58.100 0.136 0.000 1.100 180 Y CB 1.784 40.310 38.460 0.111 0.000 1.179 180 Y HN 0.852 nan 8.280 nan 0.000 0.454 181 E N 6.770 126.863 120.200 -0.178 0.000 3.167 181 E HA 0.008 4.356 4.350 -0.003 0.000 0.212 181 E C -1.557 174.885 176.600 -0.264 0.000 1.143 181 E CA -0.567 55.739 56.400 -0.158 0.000 1.002 181 E CB 0.612 30.305 29.700 -0.012 0.000 1.315 181 E HN 0.517 nan 8.360 nan 0.000 0.422 182 Y N 2.597 122.555 120.300 -0.571 0.000 2.640 182 Y HA 0.008 4.556 4.550 -0.003 0.000 0.355 182 Y C 0.540 176.410 175.900 -0.050 0.000 1.088 182 Y CA -0.413 57.480 58.100 -0.345 0.000 1.443 182 Y CB -0.267 37.974 38.460 -0.365 0.000 1.224 182 Y HN 0.487 nan 8.280 nan 0.000 0.516 183 E N 4.569 124.494 120.200 -0.458 0.000 2.414 183 E HA -0.253 4.095 4.350 -0.003 0.000 0.173 183 E C 1.060 177.533 176.600 -0.212 0.000 1.551 183 E CA 0.735 56.882 56.400 -0.421 0.000 0.661 183 E CB -1.103 28.171 29.700 -0.711 0.000 1.108 183 E HN 1.209 nan 8.360 nan 0.000 0.365 184 G N 1.531 110.191 108.800 -0.233 0.000 2.458 184 G HA2 -0.375 3.583 3.960 -0.003 0.000 0.237 184 G HA3 -0.375 3.583 3.960 -0.003 0.000 0.237 184 G C 0.133 174.804 174.900 -0.382 0.000 1.113 184 G CA 0.323 45.180 45.100 -0.405 0.000 0.655 184 G HN 0.404 nan 8.290 nan 0.000 0.513 185 F N 2.145 122.032 119.950 -0.104 0.000 2.443 185 F HA 0.541 5.067 4.527 -0.003 0.000 0.353 185 F C 1.081 176.846 175.800 -0.058 0.000 1.101 185 F CA 0.787 58.782 58.000 -0.007 0.000 1.226 185 F CB 1.699 40.722 39.000 0.037 0.000 1.140 185 F HN 0.358 nan 8.300 nan 0.000 0.557 186 G N 4.553 113.465 108.800 0.188 0.000 2.707 186 G HA2 0.568 4.526 3.960 -0.003 0.000 0.299 186 G HA3 0.568 4.526 3.960 -0.003 0.000 0.299 186 G C -1.935 173.156 174.900 0.320 0.000 1.442 186 G CA -0.521 44.695 45.100 0.194 0.000 1.009 186 G HN 0.688 nan 8.290 nan 0.000 0.515 187 I N 2.757 123.486 120.570 0.265 0.000 2.406 187 I HA 0.680 4.848 4.170 -0.003 0.000 0.290 187 I C -0.949 175.269 176.117 0.168 0.000 0.999 187 I CA -0.846 60.592 61.300 0.229 0.000 1.124 187 I CB 1.714 39.823 38.000 0.182 0.000 1.289 187 I HN 0.221 nan 8.210 nan 0.000 0.441 188 V N 6.484 126.425 119.914 0.045 0.000 2.581 188 V HA 0.777 4.895 4.120 -0.003 0.000 0.303 188 V C 0.459 176.553 176.094 -0.000 0.000 1.041 188 V CA -0.481 61.796 62.300 -0.039 0.000 0.907 188 V CB 1.538 33.178 31.823 -0.304 0.000 0.994 188 V HN 0.871 nan 8.190 nan 0.000 0.442 189 G N 2.028 110.856 108.800 0.048 0.000 2.495 189 G HA2 0.828 4.786 3.960 -0.003 0.000 0.318 189 G HA3 0.828 4.786 3.960 -0.003 0.000 0.318 189 G C -0.978 173.978 174.900 0.093 0.000 1.257 189 G CA -0.330 44.822 45.100 0.086 0.000 0.962 189 G HN 1.243 nan 8.290 nan 0.000 0.483 190 A N 0.804 123.712 122.820 0.147 0.000 2.540 190 A HA 0.705 5.023 4.320 -0.003 0.000 0.297 190 A C -2.097 175.637 177.584 0.251 0.000 1.056 190 A CA -0.566 51.557 52.037 0.143 0.000 0.700 190 A CB 1.533 20.581 19.000 0.080 0.000 1.280 190 A HN 1.483 nan 8.150 nan 0.000 0.398 191 Y N 0.777 121.078 120.300 0.001 0.000 2.513 191 Y HA 0.676 5.224 4.550 -0.003 0.000 0.340 191 Y C -0.144 175.595 175.900 -0.267 0.000 1.055 191 Y CA -0.192 57.885 58.100 -0.038 0.000 1.020 191 Y CB 2.132 40.564 38.460 -0.047 0.000 1.301 191 Y HN 1.348 nan 8.280 nan 0.000 0.453 192 G N 2.595 110.684 108.800 -1.184 0.000 2.753 192 G HA2 0.723 4.681 3.960 -0.003 0.000 0.295 192 G HA3 0.723 4.681 3.960 -0.003 0.000 0.295 192 G C -2.099 172.099 174.900 -1.170 0.000 1.437 192 G CA -0.334 43.820 45.100 -1.577 0.000 1.094 192 G HN 0.962 nan 8.290 nan 0.000 0.540 193 A N 0.420 122.771 122.820 -0.783 0.000 2.374 193 A HA 1.044 5.362 4.320 -0.003 0.000 0.317 193 A C -0.119 177.458 177.584 -0.011 0.000 1.094 193 A CA -0.169 51.679 52.037 -0.314 0.000 0.765 193 A CB 1.908 20.778 19.000 -0.216 0.000 1.268 193 A HN 2.296 nan 8.150 nan 0.000 0.438 194 A N 1.378 124.167 122.820 -0.052 0.000 2.520 194 A HA 0.655 4.973 4.320 -0.003 0.000 0.298 194 A C -1.178 176.376 177.584 -0.049 0.000 1.051 194 A CA -0.673 51.369 52.037 0.008 0.000 0.690 194 A CB 0.906 19.919 19.000 0.021 0.000 1.281 194 A HN 0.735 nan 8.150 nan 0.000 0.402 195 D N 1.164 121.585 120.400 0.035 0.000 2.443 195 D HA 0.211 4.850 4.640 -0.003 0.000 0.239 195 D C 0.196 176.532 176.300 0.060 0.000 1.136 195 D CA 0.691 54.711 54.000 0.034 0.000 0.879 195 D CB 0.660 41.494 40.800 0.056 0.000 1.195 195 D HN 0.418 nan 8.370 nan 0.000 0.443 196 R N 0.113 120.632 120.500 0.032 0.000 2.486 196 R HA 0.315 4.654 4.340 -0.003 0.000 0.286 196 R C 0.300 176.637 176.300 0.063 0.000 0.999 196 R CA -0.649 55.488 56.100 0.061 0.000 0.993 196 R CB 1.141 31.440 30.300 -0.002 0.000 1.084 196 R HN 0.439 nan 8.270 nan 0.000 0.487 197 T N -0.885 113.712 114.554 0.072 0.000 2.913 197 T HA 0.061 4.409 4.350 -0.003 0.000 0.297 197 T C 1.072 175.803 174.700 0.052 0.000 1.029 197 T CA -0.740 61.393 62.100 0.055 0.000 1.104 197 T CB 0.818 69.714 68.868 0.047 0.000 0.964 197 T HN 0.430 nan 8.240 nan 0.000 0.532 198 N N 0.428 119.153 118.700 0.042 0.000 2.272 198 N HA -0.100 4.638 4.740 -0.003 0.000 0.185 198 N C 1.580 177.118 175.510 0.046 0.000 1.014 198 N CA 0.764 53.838 53.050 0.040 0.000 0.870 198 N CB -0.371 38.135 38.487 0.032 0.000 0.975 198 N HN 0.595 nan 8.380 nan 0.000 0.433 199 L N 1.806 123.059 121.223 0.049 0.000 2.056 199 L HA -0.108 4.230 4.340 -0.003 0.000 0.207 199 L C 2.155 179.078 176.870 0.088 0.000 1.078 199 L CA 1.530 56.403 54.840 0.055 0.000 0.749 199 L CB -0.513 41.572 42.059 0.043 0.000 0.901 199 L HN 0.082 nan 8.230 nan 0.000 0.433 200 Q N -0.620 119.250 119.800 0.116 0.000 2.124 200 Q HA -0.207 4.131 4.340 -0.003 0.000 0.202 200 Q C 2.021 178.115 176.000 0.158 0.000 0.977 200 Q CA 1.873 57.794 55.803 0.197 0.000 0.850 200 Q CB -0.089 28.740 28.738 0.151 0.000 0.901 200 Q HN 0.642 nan 8.270 nan 0.000 0.429 201 E N 0.133 120.389 120.200 0.093 0.000 2.158 201 E HA -0.047 4.301 4.350 -0.003 0.000 0.191 201 E C 0.956 177.597 176.600 0.069 0.000 0.982 201 E CA 0.640 57.083 56.400 0.071 0.000 0.823 201 E CB 0.108 29.836 29.700 0.046 0.000 0.766 201 E HN 0.198 nan 8.360 nan 0.000 0.468 202 A N 1.715 124.574 122.820 0.064 0.000 2.416 202 A HA 0.021 4.340 4.320 -0.003 0.000 0.252 202 A C 0.270 177.887 177.584 0.055 0.000 1.353 202 A CA 0.022 52.089 52.037 0.051 0.000 0.996 202 A CB -0.049 18.974 19.000 0.039 0.000 0.961 202 A HN -0.015 nan 8.150 nan 0.000 0.523 203 Q N -0.259 119.588 119.800 0.078 0.000 2.227 203 Q HA 0.331 4.669 4.340 -0.003 0.000 0.245 203 Q C -1.684 174.349 176.000 0.055 0.000 0.926 203 Q CA -2.191 53.655 55.803 0.072 0.000 0.895 203 Q CB 0.701 29.512 28.738 0.122 0.000 1.230 203 Q HN 0.182 nan 8.270 nan 0.000 0.450 204 P HA 0.000 nan 4.420 nan 0.000 0.215 204 P C -0.125 177.196 177.300 0.035 0.000 1.157 204 P CA 0.879 63.995 63.100 0.028 0.000 0.856 204 P CB 0.283 31.990 31.700 0.013 0.000 0.786 205 L N -0.151 121.089 121.223 0.029 0.000 2.290 205 L HA 0.593 4.931 4.340 -0.003 0.000 0.284 205 L C 0.617 177.547 176.870 0.100 0.000 1.078 205 L CA -0.239 54.624 54.840 0.038 0.000 0.815 205 L CB 0.025 42.080 42.059 -0.006 0.000 1.162 205 L HN 0.151 nan 8.230 nan 0.000 0.435 206 G N 2.519 111.382 108.800 0.105 0.000 2.906 206 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.686 206 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.686 206 G C -1.459 173.499 174.900 0.096 0.000 1.170 206 G CA -0.927 44.257 45.100 0.140 0.000 0.775 206 G HN 0.613 nan 8.290 nan 0.000 0.630 207 N N 0.573 119.314 118.700 0.068 0.000 2.519 207 N HA 0.766 5.504 4.740 -0.003 0.000 0.291 207 N C 0.006 175.532 175.510 0.027 0.000 1.107 207 N CA 0.761 53.838 53.050 0.046 0.000 0.904 207 N CB 1.916 40.427 38.487 0.040 0.000 1.500 207 N HN 2.079 nan 8.380 nan 0.000 0.510 208 G N 1.372 110.182 108.800 0.017 0.000 2.340 208 G HA2 0.096 4.055 3.960 -0.003 0.000 0.300 208 G HA3 0.096 4.055 3.960 -0.003 0.000 0.300 208 G C -0.621 174.275 174.900 -0.007 0.000 1.488 208 G CA -0.574 44.527 45.100 0.001 0.000 0.878 208 G HN 0.363 nan 8.290 nan 0.000 0.618 209 K N -0.347 120.047 120.400 -0.009 0.000 2.410 209 K HA 0.294 4.612 4.320 -0.003 0.000 0.200 209 K C 0.047 176.630 176.600 -0.029 0.000 1.023 209 K CA 0.236 56.517 56.287 -0.009 0.000 1.149 209 K CB 0.470 32.972 32.500 0.003 0.000 0.859 209 K HN 0.238 nan 8.250 nan 0.000 0.514 210 K N 0.322 120.685 120.400 -0.061 0.000 2.569 210 K HA 0.383 4.701 4.320 -0.003 0.000 0.259 210 K C -1.913 174.577 176.600 -0.184 0.000 0.932 210 K CA -0.210 56.014 56.287 -0.104 0.000 0.833 210 K CB 2.007 34.473 32.500 -0.057 0.000 1.340 210 K HN 0.079 nan 8.250 nan 0.000 0.429 211 A N 2.535 125.142 122.820 -0.355 0.000 2.325 211 A HA 0.761 5.079 4.320 -0.003 0.000 0.333 211 A C -1.084 176.283 177.584 -0.363 0.000 1.155 211 A CA -0.390 51.349 52.037 -0.498 0.000 0.814 211 A CB 0.916 19.229 19.000 -1.144 0.000 1.206 211 A HN 0.691 nan 8.150 nan 0.000 0.482 212 E N 0.304 120.386 120.200 -0.197 0.000 2.292 212 E HA 0.480 4.828 4.350 -0.003 0.000 0.272 212 E C -1.546 175.067 176.600 0.022 0.000 0.881 212 E CA -0.392 55.973 56.400 -0.059 0.000 0.754 212 E CB 2.243 32.014 29.700 0.119 0.000 1.201 212 E HN 0.671 nan 8.360 nan 0.000 0.425 213 Q N 3.228 123.049 119.800 0.034 0.000 2.275 213 Q HA 0.365 4.703 4.340 -0.003 0.000 0.266 213 Q C -1.465 174.644 176.000 0.182 0.000 1.002 213 Q CA -0.790 55.064 55.803 0.085 0.000 0.761 213 Q CB 1.805 30.631 28.738 0.146 0.000 1.255 213 Q HN 0.503 nan 8.270 nan 0.000 0.446 214 W N 1.616 122.973 121.300 0.095 0.000 2.915 214 W HA 0.912 5.571 4.660 -0.002 0.000 0.337 214 W C -1.790 174.755 176.519 0.044 0.000 1.102 214 W CA -1.127 56.295 57.345 0.129 0.000 1.224 214 W CB 0.981 30.593 29.460 0.252 0.000 1.416 214 W HN 0.659 nan 8.180 nan 0.000 0.503 215 A N 2.497 125.424 122.820 0.178 0.000 2.520 215 A HA 0.730 5.048 4.320 -0.003 0.000 0.298 215 A C -0.465 177.214 177.584 0.158 0.000 1.051 215 A CA -0.574 51.449 52.037 -0.023 0.000 0.690 215 A CB 1.480 20.412 19.000 -0.113 0.000 1.281 215 A HN 0.682 nan 8.150 nan 0.000 0.402 216 T N -0.503 114.149 114.554 0.164 0.000 2.929 216 T HA 0.816 5.164 4.350 -0.003 0.000 0.284 216 T C 0.212 174.932 174.700 0.034 0.000 1.014 216 T CA -0.106 62.091 62.100 0.162 0.000 1.051 216 T CB 1.795 70.826 68.868 0.272 0.000 1.028 216 T HN 1.694 nan 8.240 nan 0.000 0.485 217 G N 0.616 109.394 108.800 -0.036 0.000 2.612 217 G HA2 0.672 4.630 3.960 -0.003 0.000 0.298 217 G HA3 0.672 4.630 3.960 -0.003 0.000 0.298 217 G C -2.016 172.933 174.900 0.081 0.000 1.336 217 G CA -0.885 44.158 45.100 -0.095 0.000 0.953 217 G HN 0.875 nan 8.290 nan 0.000 0.482 218 L N 0.333 121.699 121.223 0.239 0.000 2.434 218 L HA 0.830 5.168 4.340 -0.003 0.000 0.260 218 L C -0.693 176.342 176.870 0.274 0.000 0.983 218 L CA -0.705 54.314 54.840 0.299 0.000 0.820 218 L CB 2.515 44.695 42.059 0.202 0.000 1.361 218 L HN 0.849 nan 8.230 nan 0.000 0.410 219 K N 1.956 122.451 120.400 0.159 0.000 2.556 219 K HA 0.492 4.810 4.320 -0.003 0.000 0.274 219 K C -2.105 174.362 176.600 -0.222 0.000 0.966 219 K CA -0.864 55.309 56.287 -0.191 0.000 0.865 219 K CB 1.948 34.104 32.500 -0.573 0.000 1.444 219 K HN 0.395 nan 8.250 nan 0.000 0.433 220 Y N 1.615 121.570 120.300 -0.574 0.000 2.349 220 Y HA 0.311 4.859 4.550 -0.003 0.000 0.324 220 Y C -1.590 174.014 175.900 -0.494 0.000 1.005 220 Y CA -0.925 56.769 58.100 -0.676 0.000 1.240 220 Y CB 1.577 39.567 38.460 -0.782 0.000 1.117 220 Y HN 0.786 nan 8.280 nan 0.000 0.463 221 D N 5.384 125.325 120.400 -0.764 0.000 2.477 221 D HA 0.665 5.303 4.640 -0.003 0.000 0.239 221 D C -1.245 174.640 176.300 -0.692 0.000 1.102 221 D CA 0.255 53.953 54.000 -0.504 0.000 0.901 221 D CB 0.652 41.308 40.800 -0.239 0.000 1.026 221 D HN 0.744 nan 8.370 nan 0.000 0.515 222 A N 2.846 125.214 122.820 -0.753 0.000 2.583 222 A HA 0.443 4.762 4.320 -0.003 0.000 0.292 222 A C 0.178 177.619 177.584 -0.239 0.000 1.045 222 A CA -0.735 50.965 52.037 -0.560 0.000 0.672 222 A CB 0.384 18.931 19.000 -0.755 0.000 1.283 222 A HN 0.493 nan 8.150 nan 0.000 0.419 223 N N 1.361 119.992 118.700 -0.115 0.000 2.693 223 N HA -0.233 4.505 4.740 -0.003 0.000 0.249 223 N C 0.240 175.763 175.510 0.022 0.000 1.119 223 N CA 0.938 53.983 53.050 -0.010 0.000 0.717 223 N CB -0.899 37.627 38.487 0.065 0.000 1.071 223 N HN 0.793 nan 8.380 nan 0.000 0.555 224 N N -2.426 116.232 118.700 -0.069 0.000 2.850 224 N HA -0.182 4.556 4.740 -0.003 0.000 0.249 224 N C -0.727 174.746 175.510 -0.061 0.000 1.060 224 N CA 1.263 54.218 53.050 -0.159 0.000 0.825 224 N CB -1.180 37.114 38.487 -0.322 0.000 1.132 224 N HN 0.534 nan 8.380 nan 0.000 0.564 225 I N 0.619 121.215 120.570 0.043 0.000 2.392 225 I HA 0.267 4.435 4.170 -0.003 0.000 0.295 225 I C -0.239 175.930 176.117 0.086 0.000 0.985 225 I CA -0.742 60.631 61.300 0.122 0.000 1.221 225 I CB 1.147 39.262 38.000 0.191 0.000 1.366 225 I HN -0.032 nan 8.210 nan 0.000 0.467 226 Y N 7.124 127.407 120.300 -0.028 0.000 2.363 226 Y HA 0.543 5.091 4.550 -0.003 0.000 0.325 226 Y C -1.267 174.629 175.900 -0.006 0.000 0.984 226 Y CA -0.581 57.484 58.100 -0.059 0.000 1.248 226 Y CB 0.947 39.356 38.460 -0.084 0.000 1.116 226 Y HN 0.340 nan 8.280 nan 0.000 0.470 227 L N 5.368 126.373 121.223 -0.364 0.000 2.322 227 L HA 0.928 5.266 4.340 -0.003 0.000 0.281 227 L C -0.715 175.864 176.870 -0.486 0.000 1.014 227 L CA -0.882 53.791 54.840 -0.279 0.000 0.815 227 L CB 1.642 43.626 42.059 -0.125 0.000 1.247 227 L HN 0.762 nan 8.230 nan 0.000 0.421 228 A N 2.895 125.549 122.820 -0.276 0.000 2.574 228 A HA 0.896 5.214 4.320 -0.003 0.000 0.297 228 A C -1.429 176.172 177.584 0.028 0.000 1.062 228 A CA -0.364 51.579 52.037 -0.155 0.000 0.686 228 A CB 1.956 20.840 19.000 -0.193 0.000 1.285 228 A HN 0.750 nan 8.150 nan 0.000 0.403 229 A N 1.298 124.172 122.820 0.090 0.000 2.435 229 A HA 0.858 5.177 4.320 -0.003 0.000 0.304 229 A C -0.739 176.914 177.584 0.115 0.000 1.064 229 A CA -0.668 51.428 52.037 0.098 0.000 0.727 229 A CB 1.252 20.302 19.000 0.085 0.000 1.284 229 A HN 0.851 nan 8.150 nan 0.000 0.415 230 N N -0.191 118.565 118.700 0.092 0.000 2.310 230 N HA 0.481 5.219 4.740 -0.003 0.000 0.292 230 N C -2.033 173.529 175.510 0.086 0.000 1.049 230 N CA -0.258 52.828 53.050 0.060 0.000 0.849 230 N CB 1.993 40.484 38.487 0.007 0.000 1.532 230 N HN 0.639 nan 8.380 nan 0.000 0.479 231 Y N 1.466 121.728 120.300 -0.064 0.000 2.328 231 Y HA 0.696 5.244 4.550 -0.003 0.000 0.336 231 Y C -0.129 175.612 175.900 -0.265 0.000 0.960 231 Y CA -0.494 57.532 58.100 -0.123 0.000 1.134 231 Y CB 1.167 39.582 38.460 -0.075 0.000 1.166 231 Y HN 0.537 nan 8.280 nan 0.000 0.464 232 G N 3.813 112.052 108.800 -0.934 0.000 2.569 232 G HA2 0.643 4.601 3.960 -0.003 0.000 0.300 232 G HA3 0.643 4.601 3.960 -0.003 0.000 0.300 232 G C -1.699 172.489 174.900 -1.187 0.000 1.269 232 G CA -0.926 43.608 45.100 -0.943 0.000 0.959 232 G HN 0.563 nan 8.290 nan 0.000 0.478 233 E N 0.137 119.688 120.200 -1.082 0.000 2.317 233 E HA 0.351 4.699 4.350 -0.003 0.000 0.270 233 E C -0.881 175.500 176.600 -0.365 0.000 0.899 233 E CA -0.639 55.341 56.400 -0.699 0.000 0.814 233 E CB 2.029 31.350 29.700 -0.632 0.000 1.296 233 E HN 0.628 nan 8.360 nan 0.000 0.404 234 T N 0.878 115.334 114.554 -0.162 0.000 2.795 234 T HA 0.507 4.856 4.350 -0.003 0.000 0.282 234 T C -0.071 174.637 174.700 0.014 0.000 0.980 234 T CA -1.045 61.038 62.100 -0.028 0.000 1.012 234 T CB 1.047 69.940 68.868 0.042 0.000 0.936 234 T HN 0.168 nan 8.240 nan 0.000 0.457 235 R N 3.552 124.069 120.500 0.029 0.000 2.310 235 R HA 0.365 4.703 4.340 -0.003 0.000 0.324 235 R C 0.156 176.445 176.300 -0.018 0.000 0.955 235 R CA -0.661 55.456 56.100 0.028 0.000 0.830 235 R CB 0.638 30.971 30.300 0.056 0.000 1.154 235 R HN 0.855 nan 8.270 nan 0.000 0.458 236 N N 1.153 119.858 118.700 0.008 0.000 2.696 236 N HA -0.261 4.477 4.740 -0.003 0.000 0.249 236 N C 0.226 175.687 175.510 -0.083 0.000 1.090 236 N CA 1.314 54.360 53.050 -0.006 0.000 0.716 236 N CB -0.379 38.076 38.487 -0.053 0.000 1.020 236 N HN 0.779 nan 8.380 nan 0.000 0.548 237 A N -1.211 121.620 122.820 0.018 0.000 1.997 237 A HA 0.163 4.481 4.320 -0.003 0.000 0.198 237 A C 0.964 178.725 177.584 0.295 0.000 1.449 237 A CA 0.591 52.651 52.037 0.039 0.000 0.908 237 A CB 0.258 19.257 19.000 -0.001 0.000 0.984 237 A HN 0.194 nan 8.150 nan 0.000 0.487 238 T N 3.659 118.366 114.554 0.255 0.000 2.884 238 T HA 0.450 4.798 4.350 -0.003 0.000 0.298 238 T C -2.672 172.129 174.700 0.169 0.000 0.998 238 T CA -0.723 61.480 62.100 0.172 0.000 1.124 238 T CB 1.205 70.151 68.868 0.130 0.000 0.931 238 T HN 0.215 nan 8.240 nan 0.000 0.531 239 P HA 0.584 nan 4.420 nan 0.000 0.286 239 P C -0.870 176.196 177.300 -0.389 0.000 1.261 239 P CA -0.635 62.201 63.100 -0.439 0.000 0.821 239 P CB 0.684 32.066 31.700 -0.529 0.000 1.013 240 I N -2.376 117.985 120.570 -0.348 0.000 3.102 240 I HA 0.686 4.854 4.170 -0.003 0.000 0.310 240 I C -1.169 174.826 176.117 -0.203 0.000 1.246 240 I CA -0.804 60.364 61.300 -0.221 0.000 0.979 240 I CB 2.418 40.338 38.000 -0.133 0.000 1.267 240 I HN 0.034 nan 8.210 nan 0.000 0.451 241 T N 2.171 116.634 114.554 -0.153 0.000 2.881 241 T HA 0.291 4.639 4.350 -0.003 0.000 0.291 241 T C -0.629 174.001 174.700 -0.117 0.000 0.990 241 T CA -0.415 61.605 62.100 -0.133 0.000 0.976 241 T CB 0.853 69.644 68.868 -0.128 0.000 0.970 241 T HN 0.622 nan 8.240 nan 0.000 0.438 242 N N 3.064 121.708 118.700 -0.093 0.000 2.400 242 N HA 0.069 4.807 4.740 -0.003 0.000 0.267 242 N C 1.056 176.515 175.510 -0.086 0.000 1.208 242 N CA 0.142 53.140 53.050 -0.087 0.000 0.951 242 N CB 0.634 39.105 38.487 -0.027 0.000 1.227 242 N HN 0.536 nan 8.380 nan 0.000 0.488 243 K N 2.644 122.946 120.400 -0.164 0.000 2.217 243 K HA -0.062 4.256 4.320 -0.003 0.000 0.202 243 K C 1.016 177.618 176.600 0.002 0.000 1.051 243 K CA 0.934 57.146 56.287 -0.125 0.000 0.952 243 K CB 0.111 32.494 32.500 -0.194 0.000 0.736 243 K HN 0.374 nan 8.250 nan 0.000 0.453 244 F N 1.106 121.050 119.950 -0.011 0.000 2.022 244 F HA -0.145 4.380 4.527 -0.003 0.000 0.293 244 F C 2.682 178.476 175.800 -0.009 0.000 1.142 244 F CA 1.416 59.412 58.000 -0.007 0.000 1.177 244 F CB -1.413 37.585 39.000 -0.003 0.000 0.982 244 F HN 0.016 nan 8.300 nan 0.000 0.473 245 T N -2.404 112.268 114.554 0.197 0.000 3.284 245 T HA 0.040 4.388 4.350 -0.003 0.000 0.252 245 T C 0.412 175.144 174.700 0.052 0.000 1.144 245 T CA 0.447 62.605 62.100 0.097 0.000 1.021 245 T CB -1.352 67.561 68.868 0.074 0.000 0.984 245 T HN 0.346 nan 8.240 nan 0.000 0.545 246 N N 0.874 119.601 118.700 0.045 0.000 2.696 246 N HA -0.147 4.592 4.740 -0.003 0.000 0.249 246 N C -0.695 174.808 175.510 -0.012 0.000 1.090 246 N CA 1.148 54.203 53.050 0.009 0.000 0.716 246 N CB -1.501 36.994 38.487 0.012 0.000 1.020 246 N HN 0.556 nan 8.380 nan 0.000 0.548 247 T N -0.735 113.810 114.554 -0.016 0.000 2.922 247 T HA 0.608 4.956 4.350 -0.003 0.000 0.285 247 T C 0.447 175.111 174.700 -0.061 0.000 1.005 247 T CA -0.500 61.583 62.100 -0.028 0.000 1.061 247 T CB 1.765 70.625 68.868 -0.014 0.000 1.007 247 T HN 0.019 nan 8.240 nan 0.000 0.502 248 S N -0.199 115.456 115.700 -0.075 0.000 2.671 248 S HA 0.964 5.433 4.470 -0.003 0.000 0.299 248 S C 0.468 174.973 174.600 -0.158 0.000 1.116 248 S CA -0.112 58.010 58.200 -0.131 0.000 0.912 248 S CB 1.972 65.088 63.200 -0.140 0.000 1.130 248 S HN 1.240 nan 8.310 nan 0.000 0.501 249 G N 0.328 108.947 108.800 -0.302 0.000 2.286 249 G HA2 0.213 4.171 3.960 -0.003 0.000 0.118 249 G HA3 0.213 4.171 3.960 -0.003 0.000 0.118 249 G C -2.071 172.384 174.900 -0.743 0.000 1.267 249 G CA -0.727 44.127 45.100 -0.409 0.000 1.171 249 G HN 0.530 nan 8.290 nan 0.000 0.465 250 F N 1.189 121.129 119.950 -0.018 0.000 2.588 250 F HA 0.750 5.275 4.527 -0.003 0.000 0.310 250 F C 0.616 176.409 175.800 -0.012 0.000 1.082 250 F CA -0.211 57.780 58.000 -0.015 0.000 0.929 250 F CB 2.440 41.455 39.000 0.025 0.000 1.254 250 F HN 0.779 nan 8.300 nan 0.000 0.455 251 A N 2.206 125.127 122.820 0.168 0.000 2.409 251 A HA 0.216 4.534 4.320 -0.003 0.000 0.267 251 A C 1.133 178.781 177.584 0.108 0.000 1.127 251 A CA -0.401 51.694 52.037 0.098 0.000 0.795 251 A CB 0.077 19.114 19.000 0.060 0.000 1.061 251 A HN 0.897 nan 8.150 nan 0.000 0.502 252 N N 0.670 119.418 118.700 0.079 0.000 2.094 252 N HA -0.109 4.629 4.740 -0.003 0.000 0.191 252 N C 0.369 175.910 175.510 0.052 0.000 1.023 252 N CA 1.349 54.437 53.050 0.063 0.000 0.857 252 N CB 0.059 38.576 38.487 0.051 0.000 1.013 252 N HN 0.664 nan 8.380 nan 0.000 0.426 253 K N 0.219 120.647 120.400 0.048 0.000 2.542 253 K HA 0.168 4.486 4.320 -0.003 0.000 0.259 253 K C -1.506 175.107 176.600 0.023 0.000 0.932 253 K CA -0.248 56.061 56.287 0.037 0.000 0.820 253 K CB 1.802 34.328 32.500 0.043 0.000 1.345 253 K HN 0.068 nan 8.250 nan 0.000 0.432 254 T N 0.148 114.700 114.554 -0.005 0.000 2.886 254 T HA 0.501 4.850 4.350 -0.003 0.000 0.292 254 T C -0.702 173.929 174.700 -0.116 0.000 1.012 254 T CA -0.825 61.255 62.100 -0.034 0.000 0.982 254 T CB 1.788 70.650 68.868 -0.010 0.000 1.018 254 T HN 0.457 nan 8.240 nan 0.000 0.451 255 Q N 1.849 121.581 119.800 -0.114 0.000 2.307 255 Q HA 0.520 4.858 4.340 -0.003 0.000 0.262 255 Q C -1.168 174.704 176.000 -0.214 0.000 0.961 255 Q CA -0.871 54.798 55.803 -0.224 0.000 0.882 255 Q CB 1.453 30.161 28.738 -0.051 0.000 1.264 255 Q HN 0.628 nan 8.270 nan 0.000 0.446 256 D N 1.841 122.022 120.400 -0.365 0.000 2.646 256 D HA 0.440 5.078 4.640 -0.003 0.000 0.245 256 D C -1.089 175.089 176.300 -0.205 0.000 1.099 256 D CA -0.405 53.453 54.000 -0.237 0.000 0.849 256 D CB 2.412 43.083 40.800 -0.214 0.000 1.448 256 D HN 0.135 nan 8.370 nan 0.000 0.489 257 V N 2.742 122.606 119.914 -0.083 0.000 2.525 257 V HA 0.404 4.522 4.120 -0.003 0.000 0.299 257 V C -0.996 175.089 176.094 -0.015 0.000 1.034 257 V CA -0.757 61.556 62.300 0.023 0.000 0.863 257 V CB 1.807 33.717 31.823 0.145 0.000 0.999 257 V HN 0.334 nan 8.190 nan 0.000 0.423 258 L N 6.343 127.571 121.223 0.008 0.000 2.385 258 L HA 0.719 5.057 4.340 -0.003 0.000 0.273 258 L C -0.618 176.297 176.870 0.075 0.000 0.990 258 L CA -0.631 54.210 54.840 0.001 0.000 0.821 258 L CB 1.490 43.537 42.059 -0.019 0.000 1.279 258 L HN 0.489 nan 8.230 nan 0.000 0.412 259 L N 3.374 124.660 121.223 0.105 0.000 2.410 259 L HA 0.863 5.201 4.340 -0.003 0.000 0.270 259 L C -0.620 176.326 176.870 0.126 0.000 0.983 259 L CA -0.798 54.110 54.840 0.113 0.000 0.822 259 L CB 2.486 44.615 42.059 0.116 0.000 1.285 259 L HN 0.218 nan 8.230 nan 0.000 0.409 260 V N 1.263 121.248 119.914 0.119 0.000 2.709 260 V HA 0.858 4.977 4.120 -0.003 0.000 0.308 260 V C -0.307 175.861 176.094 0.123 0.000 1.062 260 V CA -0.611 61.780 62.300 0.153 0.000 0.901 260 V CB 1.822 33.783 31.823 0.229 0.000 1.003 260 V HN 0.841 nan 8.190 nan 0.000 0.425 261 A N 4.168 127.068 122.820 0.134 0.000 2.335 261 A HA 0.870 5.188 4.320 -0.003 0.000 0.304 261 A C -0.721 176.949 177.584 0.143 0.000 1.118 261 A CA -0.514 51.590 52.037 0.112 0.000 0.757 261 A CB 1.314 20.366 19.000 0.086 0.000 1.188 261 A HN 0.822 nan 8.150 nan 0.000 0.460 262 Q N 0.624 120.521 119.800 0.161 0.000 2.309 262 Q HA 0.447 4.785 4.340 -0.003 0.000 0.273 262 Q C -2.027 174.069 176.000 0.160 0.000 1.040 262 Q CA -0.610 55.288 55.803 0.157 0.000 0.834 262 Q CB 2.980 31.809 28.738 0.151 0.000 1.345 262 Q HN 0.762 nan 8.270 nan 0.000 0.414 263 Y N 1.300 121.577 120.300 -0.038 0.000 2.446 263 Y HA 0.416 4.964 4.550 -0.003 0.000 0.345 263 Y C -1.085 174.699 175.900 -0.194 0.000 0.984 263 Y CA -0.805 57.202 58.100 -0.154 0.000 1.058 263 Y CB 1.926 40.220 38.460 -0.277 0.000 1.220 263 Y HN 0.532 nan 8.280 nan 0.000 0.455 264 Q N 5.156 124.316 119.800 -1.068 0.000 2.360 264 Q HA 0.360 4.698 4.340 -0.003 0.000 0.254 264 Q C -1.907 173.329 176.000 -1.273 0.000 0.975 264 Q CA -0.176 55.119 55.803 -0.847 0.000 0.912 264 Q CB 0.053 28.494 28.738 -0.496 0.000 1.212 264 Q HN 0.581 nan 8.270 nan 0.000 0.452 265 F N 2.373 121.849 119.950 -0.790 0.000 2.418 265 F HA 0.107 4.633 4.527 -0.003 0.000 0.341 265 F C 1.315 176.699 175.800 -0.693 0.000 1.120 265 F CA 0.012 57.580 58.000 -0.719 0.000 1.232 265 F CB 0.853 39.284 39.000 -0.947 0.000 1.175 265 F HN 0.639 nan 8.300 nan 0.000 0.569 266 D N 1.887 122.132 120.400 -0.259 0.000 2.106 266 D HA -0.255 4.383 4.640 -0.003 0.000 0.191 266 D C 2.089 178.291 176.300 -0.163 0.000 0.997 266 D CA 2.054 55.965 54.000 -0.148 0.000 0.834 266 D CB -0.453 40.372 40.800 0.041 0.000 0.956 266 D HN 0.530 nan 8.370 nan 0.000 0.448 267 F N -1.498 118.478 119.950 0.043 0.000 2.269 267 F HA 0.169 4.694 4.527 -0.003 0.000 0.301 267 F C 1.781 177.467 175.800 -0.190 0.000 1.082 267 F CA 1.054 59.048 58.000 -0.009 0.000 1.360 267 F CB -0.441 38.589 39.000 0.049 0.000 1.041 267 F HN 0.079 nan 8.300 nan 0.000 0.512 268 G N 0.198 108.701 108.800 -0.494 0.000 3.967 268 G HA2 -0.076 3.882 3.960 -0.003 0.000 0.210 268 G HA3 -0.076 3.882 3.960 -0.003 0.000 0.210 268 G C -0.362 174.179 174.900 -0.599 0.000 1.127 268 G CA -0.284 44.435 45.100 -0.636 0.000 0.887 268 G HN 0.245 nan 8.290 nan 0.000 0.367 269 L N 2.432 123.317 121.223 -0.564 0.000 2.640 269 L HA 0.398 4.736 4.340 -0.003 0.000 0.280 269 L C 0.917 177.778 176.870 -0.014 0.000 1.229 269 L CA 0.585 55.358 54.840 -0.112 0.000 0.919 269 L CB 0.338 42.556 42.059 0.266 0.000 1.168 269 L HN 0.399 nan 8.230 nan 0.000 0.496 270 R N 7.420 127.920 120.500 -0.001 0.000 2.423 270 R HA 0.437 4.775 4.340 -0.003 0.000 0.293 270 R C -2.574 173.784 176.300 0.096 0.000 1.196 270 R CA -1.738 54.382 56.100 0.033 0.000 1.262 270 R CB 0.648 30.981 30.300 0.054 0.000 1.116 270 R HN 0.423 nan 8.270 nan 0.000 0.566 271 P HA 0.041 nan 4.420 nan 0.000 0.271 271 P C -0.971 176.421 177.300 0.153 0.000 1.218 271 P CA -0.168 63.048 63.100 0.192 0.000 0.780 271 P CB 1.668 33.537 31.700 0.281 0.000 0.901 272 S N 2.625 118.410 115.700 0.143 0.000 2.736 272 S HA 0.526 4.994 4.470 -0.003 0.000 0.285 272 S C -1.002 173.684 174.600 0.142 0.000 1.163 272 S CA -0.640 57.640 58.200 0.133 0.000 1.025 272 S CB -0.019 63.247 63.200 0.110 0.000 1.030 272 S HN 0.138 nan 8.310 nan 0.000 0.486 273 I N 3.987 124.644 120.570 0.145 0.000 2.406 273 I HA 0.815 4.983 4.170 -0.003 0.000 0.290 273 I C 0.335 176.556 176.117 0.174 0.000 0.999 273 I CA -0.459 60.934 61.300 0.155 0.000 1.124 273 I CB 0.987 39.067 38.000 0.132 0.000 1.289 273 I HN 0.810 nan 8.210 nan 0.000 0.441 274 A N 6.042 128.991 122.820 0.214 0.000 2.588 274 A HA 0.827 5.146 4.320 -0.003 0.000 0.290 274 A C -2.175 175.568 177.584 0.265 0.000 1.136 274 A CA -0.533 51.636 52.037 0.219 0.000 0.681 274 A CB 2.208 21.326 19.000 0.197 0.000 1.282 274 A HN 0.586 nan 8.150 nan 0.000 0.421 275 Y N -0.382 119.900 120.300 -0.030 0.000 2.519 275 Y HA 0.665 5.213 4.550 -0.003 0.000 0.336 275 Y C -0.930 174.701 175.900 -0.447 0.000 1.089 275 Y CA -0.106 57.806 58.100 -0.314 0.000 1.025 275 Y CB 2.269 40.547 38.460 -0.303 0.000 1.318 275 Y HN 0.734 nan 8.280 nan 0.000 0.452 276 T N 6.534 120.134 114.554 -1.590 0.000 2.991 276 T HA 0.371 4.720 4.350 -0.003 0.000 0.303 276 T C -1.792 172.089 174.700 -1.365 0.000 1.015 276 T CA -0.858 60.487 62.100 -1.258 0.000 1.007 276 T CB 1.026 69.370 68.868 -0.874 0.000 1.034 276 T HN 0.560 nan 8.240 nan 0.000 0.446 277 K N 2.242 122.156 120.400 -0.810 0.000 2.541 277 K HA 0.608 4.926 4.320 -0.003 0.000 0.250 277 K C -1.169 175.295 176.600 -0.226 0.000 0.950 277 K CA -0.492 55.503 56.287 -0.487 0.000 0.805 277 K CB 1.695 33.990 32.500 -0.342 0.000 1.166 277 K HN 0.551 nan 8.250 nan 0.000 0.430 278 S N 3.555 119.160 115.700 -0.159 0.000 2.472 278 S HA 0.533 5.001 4.470 -0.003 0.000 0.303 278 S C -1.483 173.090 174.600 -0.046 0.000 1.099 278 S CA -0.758 57.396 58.200 -0.077 0.000 1.077 278 S CB 0.603 63.792 63.200 -0.019 0.000 1.031 278 S HN 0.654 nan 8.310 nan 0.000 0.487 279 K N 1.861 122.242 120.400 -0.031 0.000 2.464 279 K HA 0.781 5.099 4.320 -0.003 0.000 0.253 279 K C -1.348 175.250 176.600 -0.003 0.000 0.933 279 K CA -1.089 55.191 56.287 -0.012 0.000 0.801 279 K CB 1.833 34.331 32.500 -0.004 0.000 1.271 279 K HN 0.465 nan 8.250 nan 0.000 0.430 280 A N 3.331 126.155 122.820 0.006 0.000 2.256 280 A HA 0.331 4.649 4.320 -0.003 0.000 0.317 280 A C -0.710 176.885 177.584 0.018 0.000 1.318 280 A CA -0.801 51.245 52.037 0.014 0.000 0.894 280 A CB 0.316 19.326 19.000 0.015 0.000 1.165 280 A HN 0.698 nan 8.150 nan 0.000 0.525 281 K N 2.058 122.471 120.400 0.023 0.000 2.249 281 K HA 0.241 4.559 4.320 -0.003 0.000 0.280 281 K C -0.669 175.950 176.600 0.031 0.000 1.033 281 K CA -0.344 55.961 56.287 0.029 0.000 0.946 281 K CB 0.456 32.977 32.500 0.035 0.000 1.005 281 K HN 0.730 nan 8.250 nan 0.000 0.469 282 D N 0.697 121.115 120.400 0.030 0.000 2.705 282 D HA -0.150 4.488 4.640 -0.003 0.000 0.240 282 D C -0.605 175.714 176.300 0.032 0.000 1.137 282 D CA 0.520 54.538 54.000 0.031 0.000 0.677 282 D CB -1.007 39.813 40.800 0.033 0.000 1.049 282 D HN 0.088 nan 8.370 nan 0.000 0.427 283 V N 1.256 121.187 119.914 0.029 0.000 2.686 283 V HA 0.059 4.177 4.120 -0.003 0.000 0.295 283 V C 0.997 177.108 176.094 0.027 0.000 1.057 283 V CA -0.484 61.832 62.300 0.028 0.000 1.012 283 V CB 1.652 33.487 31.823 0.019 0.000 1.006 283 V HN 0.087 nan 8.190 nan 0.000 0.477 284 E N 3.455 123.672 120.200 0.028 0.000 2.265 284 E HA 0.320 4.668 4.350 -0.003 0.000 0.272 284 E C 1.045 177.661 176.600 0.026 0.000 1.067 284 E CA 0.564 56.981 56.400 0.028 0.000 0.900 284 E CB 0.311 30.029 29.700 0.030 0.000 1.017 284 E HN 1.008 nan 8.360 nan 0.000 0.431 285 G N 3.156 111.973 108.800 0.028 0.000 2.336 285 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.233 285 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.233 285 G C 0.758 175.678 174.900 0.035 0.000 1.053 285 G CA 0.256 45.374 45.100 0.031 0.000 0.625 285 G HN 0.499 nan 8.290 nan 0.000 0.511 286 I N 0.846 121.435 120.570 0.032 0.000 4.032 286 I HA 0.533 4.702 4.170 -0.003 0.000 0.313 286 I C 2.120 178.255 176.117 0.030 0.000 1.272 286 I CA 1.632 62.953 61.300 0.034 0.000 1.307 286 I CB 0.491 38.508 38.000 0.029 0.000 1.155 286 I HN 1.242 nan 8.210 nan 0.000 0.431 287 G N 0.934 109.750 108.800 0.027 0.000 2.866 287 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.274 287 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.274 287 G C -0.638 174.277 174.900 0.025 0.000 1.413 287 G CA 0.060 45.176 45.100 0.026 0.000 0.997 287 G HN 0.297 nan 8.290 nan 0.000 0.559 288 D N 0.814 121.228 120.400 0.024 0.000 2.308 288 D HA 0.594 5.232 4.640 -0.003 0.000 0.242 288 D C -0.128 176.183 176.300 0.018 0.000 1.059 288 D CA 0.003 54.016 54.000 0.022 0.000 0.830 288 D CB 2.077 42.891 40.800 0.024 0.000 1.161 288 D HN 0.644 nan 8.370 nan 0.000 0.494 289 V N 1.191 121.113 119.914 0.012 0.000 2.686 289 V HA 0.371 4.489 4.120 -0.003 0.000 0.306 289 V C -0.475 175.619 176.094 -0.000 0.000 1.065 289 V CA -1.122 61.181 62.300 0.005 0.000 0.894 289 V CB 2.112 33.932 31.823 -0.005 0.000 1.004 289 V HN 0.342 nan 8.190 nan 0.000 0.424 290 D N 2.647 123.045 120.400 -0.003 0.000 2.345 290 D HA 0.469 5.107 4.640 -0.003 0.000 0.247 290 D C 0.695 176.989 176.300 -0.010 0.000 1.108 290 D CA -0.005 53.989 54.000 -0.011 0.000 0.894 290 D CB 2.051 42.843 40.800 -0.014 0.000 1.203 290 D HN 0.438 nan 8.370 nan 0.000 0.430 291 L N 0.713 121.934 121.223 -0.004 0.000 2.453 291 L HA 0.192 4.530 4.340 -0.003 0.000 0.190 291 L C 0.272 177.166 176.870 0.039 0.000 1.093 291 L CA 0.187 55.038 54.840 0.018 0.000 0.834 291 L CB 0.091 42.177 42.059 0.045 0.000 1.090 291 L HN 0.120 nan 8.230 nan 0.000 0.489 292 V N 0.497 120.420 119.914 0.014 0.000 2.487 292 V HA 0.502 4.620 4.120 -0.003 0.000 0.298 292 V C -1.038 174.952 176.094 -0.174 0.000 1.028 292 V CA -0.559 61.751 62.300 0.016 0.000 0.860 292 V CB 1.491 33.360 31.823 0.076 0.000 0.991 292 V HN 0.251 nan 8.190 nan 0.000 0.427 293 N N 3.995 122.583 118.700 -0.186 0.000 2.629 293 N HA 0.475 5.213 4.740 -0.003 0.000 0.277 293 N C -1.572 173.753 175.510 -0.308 0.000 1.188 293 N CA -0.312 52.529 53.050 -0.348 0.000 0.835 293 N CB 1.967 40.355 38.487 -0.165 0.000 1.420 293 N HN 0.816 nan 8.380 nan 0.000 0.542 294 Y N 0.740 120.687 120.300 -0.589 0.000 2.677 294 Y HA 0.667 5.215 4.550 -0.003 0.000 0.334 294 Y C -1.957 173.569 175.900 -0.623 0.000 1.196 294 Y CA -1.333 56.459 58.100 -0.513 0.000 1.059 294 Y CB 0.616 38.729 38.460 -0.578 0.000 1.315 294 Y HN 0.057 nan 8.280 nan 0.000 0.455 295 F N 1.326 121.353 119.950 0.130 0.000 2.507 295 F HA 0.546 5.071 4.527 -0.003 0.000 0.327 295 F C 0.043 175.916 175.800 0.122 0.000 1.068 295 F CA -0.760 57.330 58.000 0.149 0.000 0.965 295 F CB 1.938 40.987 39.000 0.080 0.000 1.192 295 F HN 0.549 nan 8.300 nan 0.000 0.476 296 E N 2.374 122.773 120.200 0.332 0.000 2.155 296 E HA 0.438 4.787 4.350 -0.003 0.000 0.264 296 E C -1.837 174.854 176.600 0.151 0.000 0.886 296 E CA -0.375 56.130 56.400 0.175 0.000 0.752 296 E CB 1.894 31.725 29.700 0.217 0.000 1.133 296 E HN 0.421 nan 8.360 nan 0.000 0.414 297 V N 3.575 123.551 119.914 0.102 0.000 2.409 297 V HA 0.820 4.938 4.120 -0.003 0.000 0.291 297 V C 0.303 176.507 176.094 0.183 0.000 1.020 297 V CA -0.153 62.235 62.300 0.146 0.000 0.848 297 V CB 1.521 33.444 31.823 0.166 0.000 0.990 297 V HN 0.742 nan 8.190 nan 0.000 0.430 298 G N 3.329 112.227 108.800 0.163 0.000 2.601 298 G HA2 0.786 4.744 3.960 -0.003 0.000 0.291 298 G HA3 0.786 4.744 3.960 -0.003 0.000 0.291 298 G C -1.598 173.384 174.900 0.136 0.000 1.456 298 G CA -0.030 45.163 45.100 0.154 0.000 0.804 298 G HN 1.132 nan 8.290 nan 0.000 0.499 299 A N 0.277 123.177 122.820 0.133 0.000 2.442 299 A HA 0.755 5.073 4.320 -0.003 0.000 0.284 299 A C -0.295 177.353 177.584 0.106 0.000 1.058 299 A CA -0.476 51.635 52.037 0.123 0.000 0.738 299 A CB 1.229 20.318 19.000 0.149 0.000 1.242 299 A HN 1.027 nan 8.150 nan 0.000 0.421 300 T N 2.162 116.729 114.554 0.021 0.000 2.743 300 T HA 0.372 4.720 4.350 -0.003 0.000 0.293 300 T C -0.624 173.936 174.700 -0.232 0.000 0.945 300 T CA 0.276 62.305 62.100 -0.119 0.000 1.030 300 T CB 0.174 68.837 68.868 -0.342 0.000 0.912 300 T HN 0.454 nan 8.240 nan 0.000 0.483 301 Y N 3.721 123.847 120.300 -0.290 0.000 2.367 301 Y HA 0.403 4.951 4.550 -0.003 0.000 0.342 301 Y C -0.987 174.609 175.900 -0.506 0.000 0.979 301 Y CA -1.193 56.697 58.100 -0.349 0.000 1.161 301 Y CB 0.328 38.591 38.460 -0.328 0.000 1.155 301 Y HN 0.563 nan 8.280 nan 0.000 0.503 302 Y N 6.305 126.320 120.300 -0.475 0.000 2.320 302 Y HA 0.221 4.769 4.550 -0.003 0.000 0.334 302 Y C 0.077 175.746 175.900 -0.385 0.000 1.055 302 Y CA -0.541 57.393 58.100 -0.277 0.000 1.143 302 Y CB 0.591 38.941 38.460 -0.183 0.000 1.193 302 Y HN 0.645 nan 8.280 nan 0.000 0.477 303 F N 0.844 120.946 119.950 0.254 0.000 2.374 303 F HA 0.048 4.573 4.527 -0.003 0.000 0.291 303 F C 0.467 176.359 175.800 0.153 0.000 1.084 303 F CA 0.409 58.553 58.000 0.240 0.000 1.413 303 F CB 0.087 39.234 39.000 0.246 0.000 1.099 303 F HN 0.598 nan 8.300 nan 0.000 0.534 304 N N -1.366 117.526 118.700 0.320 0.000 3.465 304 N HA 0.042 4.780 4.740 -0.003 0.000 0.332 304 N C -0.035 175.543 175.510 0.114 0.000 1.492 304 N CA -0.550 52.599 53.050 0.165 0.000 0.867 304 N CB 0.061 38.642 38.487 0.158 0.000 1.899 304 N HN -0.097 nan 8.380 nan 0.000 0.502 305 K N -0.760 119.667 120.400 0.044 0.000 2.360 305 K HA -0.001 4.317 4.320 -0.003 0.000 0.201 305 K C -0.049 176.567 176.600 0.027 0.000 1.046 305 K CA 1.849 58.132 56.287 -0.006 0.000 0.945 305 K CB -0.552 31.935 32.500 -0.022 0.000 0.750 305 K HN 0.522 nan 8.250 nan 0.000 0.464 306 N N -0.875 117.877 118.700 0.087 0.000 2.332 306 N HA 0.111 4.849 4.740 -0.003 0.000 0.190 306 N C -0.334 175.262 175.510 0.143 0.000 1.117 306 N CA -0.213 52.857 53.050 0.034 0.000 0.883 306 N CB 0.458 38.989 38.487 0.073 0.000 1.089 306 N HN -0.002 nan 8.380 nan 0.000 0.480 307 M N 0.977 120.747 119.600 0.282 0.000 2.465 307 M HA 0.504 4.982 4.480 -0.003 0.000 0.316 307 M C -1.594 175.046 176.300 0.566 0.000 1.121 307 M CA -0.773 54.749 55.300 0.370 0.000 0.934 307 M CB 1.821 34.581 32.600 0.267 0.000 1.692 307 M HN 0.116 nan 8.290 nan 0.000 0.444 308 S N 0.880 116.874 115.700 0.489 0.000 2.556 308 S HA 0.830 5.298 4.470 -0.003 0.000 0.280 308 S C -1.076 173.653 174.600 0.214 0.000 1.141 308 S CA -0.904 57.512 58.200 0.360 0.000 0.883 308 S CB 1.171 64.448 63.200 0.129 0.000 1.103 308 S HN 0.847 nan 8.310 nan 0.000 0.453 309 T N -0.040 114.626 114.554 0.187 0.000 2.876 309 T HA 0.801 5.149 4.350 -0.003 0.000 0.289 309 T C -1.103 173.610 174.700 0.021 0.000 1.014 309 T CA -0.749 61.359 62.100 0.014 0.000 0.986 309 T CB 1.117 70.057 68.868 0.120 0.000 1.021 309 T HN 1.260 nan 8.240 nan 0.000 0.458 310 Y N -0.137 120.200 120.300 0.062 0.000 2.512 310 Y HA 0.805 5.354 4.550 -0.003 0.000 0.348 310 Y C -1.475 174.471 175.900 0.076 0.000 0.990 310 Y CA -2.320 55.801 58.100 0.035 0.000 1.033 310 Y CB 0.731 39.190 38.460 -0.002 0.000 1.259 310 Y HN 0.536 nan 8.280 nan 0.000 0.461 311 V N 3.121 123.230 119.914 0.324 0.000 2.448 311 V HA 0.455 4.573 4.120 -0.003 0.000 0.295 311 V C -1.165 175.053 176.094 0.206 0.000 1.025 311 V CA -0.411 62.045 62.300 0.260 0.000 0.859 311 V CB 1.411 33.337 31.823 0.172 0.000 0.988 311 V HN 0.824 nan 8.190 nan 0.000 0.431 312 D N 2.778 123.299 120.400 0.202 0.000 2.629 312 D HA 0.464 5.102 4.640 -0.003 0.000 0.250 312 D C -1.758 174.752 176.300 0.350 0.000 1.126 312 D CA -0.272 53.843 54.000 0.192 0.000 0.852 312 D CB 1.760 42.569 40.800 0.015 0.000 1.335 312 D HN 0.448 nan 8.370 nan 0.000 0.518 313 Y N 5.165 125.541 120.300 0.128 0.000 2.322 313 Y HA 0.415 4.964 4.550 -0.003 0.000 0.324 313 Y C -1.479 174.403 175.900 -0.030 0.000 1.027 313 Y CA -1.270 56.870 58.100 0.068 0.000 1.179 313 Y CB 0.748 39.251 38.460 0.071 0.000 1.136 313 Y HN 0.289 nan 8.280 nan 0.000 0.449 314 I N 8.403 128.780 120.570 -0.322 0.000 2.287 314 I HA 0.238 4.406 4.170 -0.003 0.000 0.290 314 I C -0.027 175.731 176.117 -0.599 0.000 1.069 314 I CA -0.442 60.477 61.300 -0.636 0.000 1.237 314 I CB 0.611 37.908 38.000 -1.172 0.000 1.418 314 I HN 0.601 nan 8.210 nan 0.000 0.481 315 I N 6.009 126.273 120.570 -0.510 0.000 2.406 315 I HA 0.018 4.186 4.170 -0.003 0.000 0.293 315 I C 0.723 176.781 176.117 -0.099 0.000 1.101 315 I CA 0.022 61.136 61.300 -0.310 0.000 1.334 315 I CB -0.187 37.709 38.000 -0.174 0.000 1.421 315 I HN 0.431 nan 8.210 nan 0.000 0.513 316 N N 5.715 124.352 118.700 -0.106 0.000 2.411 316 N HA 0.057 4.795 4.740 -0.003 0.000 0.259 316 N C 0.771 176.289 175.510 0.014 0.000 1.103 316 N CA -0.019 52.995 53.050 -0.061 0.000 0.954 316 N CB 0.968 39.423 38.487 -0.053 0.000 1.085 316 N HN 0.398 nan 8.380 nan 0.000 0.485 317 Q N 2.175 121.983 119.800 0.014 0.000 2.451 317 Q HA 0.162 4.501 4.340 -0.003 0.000 0.206 317 Q C 0.128 176.142 176.000 0.024 0.000 0.947 317 Q CA 0.114 55.942 55.803 0.041 0.000 0.937 317 Q CB 0.272 29.024 28.738 0.024 0.000 1.025 317 Q HN 0.610 nan 8.270 nan 0.000 0.511 318 I N 3.903 124.480 120.570 0.010 0.000 2.742 318 I HA -0.097 4.072 4.170 -0.003 0.000 0.287 318 I C 0.487 176.623 176.117 0.032 0.000 1.186 318 I CA 0.076 61.387 61.300 0.019 0.000 1.417 318 I CB -0.223 37.792 38.000 0.025 0.000 1.377 318 I HN 0.126 nan 8.210 nan 0.000 0.556 319 D N 4.527 124.948 120.400 0.035 0.000 2.313 319 D HA 0.044 4.682 4.640 -0.003 0.000 0.247 319 D C 1.065 177.391 176.300 0.043 0.000 1.094 319 D CA -0.484 53.541 54.000 0.041 0.000 0.925 319 D CB 0.882 41.707 40.800 0.043 0.000 1.188 319 D HN 0.538 nan 8.370 nan 0.000 0.430 320 S N 0.663 116.393 115.700 0.050 0.000 2.440 320 S HA -0.227 4.241 4.470 -0.003 0.000 0.240 320 S C 0.711 175.355 174.600 0.074 0.000 1.014 320 S CA 0.761 58.995 58.200 0.058 0.000 0.980 320 S CB -0.302 62.934 63.200 0.060 0.000 0.775 320 S HN 0.476 nan 8.310 nan 0.000 0.499 321 D N 2.269 122.711 120.400 0.071 0.000 2.395 321 D HA 0.119 4.757 4.640 -0.003 0.000 0.250 321 D C -0.019 176.336 176.300 0.092 0.000 1.203 321 D CA 0.046 54.099 54.000 0.089 0.000 0.872 321 D CB -0.823 40.018 40.800 0.069 0.000 0.941 321 D HN 0.475 nan 8.370 nan 0.000 0.504 322 N N 1.413 120.150 118.700 0.062 0.000 2.483 322 N HA -0.050 4.688 4.740 -0.003 0.000 0.264 322 N C 1.107 176.607 175.510 -0.016 0.000 1.197 322 N CA -0.101 52.953 53.050 0.008 0.000 0.927 322 N CB 0.824 39.289 38.487 -0.037 0.000 1.065 322 N HN -0.153 nan 8.380 nan 0.000 0.461 323 K N 3.271 123.671 120.400 0.000 0.000 2.296 323 K HA 0.031 4.349 4.320 -0.003 0.000 0.200 323 K C 1.428 177.977 176.600 -0.084 0.000 1.048 323 K CA 0.550 56.852 56.287 0.026 0.000 0.966 323 K CB 0.136 32.667 32.500 0.052 0.000 0.754 323 K HN 0.591 nan 8.250 nan 0.000 0.466 324 L N -0.352 120.785 121.223 -0.143 0.000 2.585 324 L HA 0.122 4.460 4.340 -0.003 0.000 0.226 324 L C 0.683 177.333 176.870 -0.365 0.000 1.113 324 L CA 0.331 55.049 54.840 -0.203 0.000 0.876 324 L CB 0.106 42.092 42.059 -0.121 0.000 1.072 324 L HN 0.358 nan 8.230 nan 0.000 0.468 325 G N 0.422 108.961 108.800 -0.435 0.000 2.149 325 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.235 325 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.235 325 G C 0.262 175.009 174.900 -0.255 0.000 1.018 325 G CA 0.145 44.920 45.100 -0.541 0.000 0.728 325 G HN 0.081 nan 8.290 nan 0.000 0.508 326 V N 0.108 119.930 119.914 -0.152 0.000 3.484 326 V HA 0.489 4.607 4.120 -0.003 0.000 0.304 326 V C 1.803 177.873 176.094 -0.039 0.000 1.116 326 V CA 0.392 62.646 62.300 -0.076 0.000 1.187 326 V CB 0.573 32.376 31.823 -0.033 0.000 1.062 326 V HN 0.909 nan 8.190 nan 0.000 0.489 327 G N 0.584 109.379 108.800 -0.009 0.000 2.483 327 G HA2 0.396 4.354 3.960 -0.003 0.000 0.248 327 G HA3 0.396 4.354 3.960 -0.003 0.000 0.248 327 G C 0.677 175.603 174.900 0.044 0.000 1.248 327 G CA 0.310 45.421 45.100 0.019 0.000 0.838 327 G HN 1.078 nan 8.290 nan 0.000 0.566 328 S N -0.028 115.699 115.700 0.046 0.000 2.632 328 S HA 0.158 4.626 4.470 -0.003 0.000 0.237 328 S C 0.047 174.678 174.600 0.052 0.000 1.037 328 S CA -0.328 57.901 58.200 0.047 0.000 1.009 328 S CB 0.431 63.657 63.200 0.043 0.000 0.974 328 S HN 0.425 nan 8.310 nan 0.000 0.544 329 D N 2.902 123.338 120.400 0.060 0.000 2.354 329 D HA 0.449 5.087 4.640 -0.003 0.000 0.247 329 D C -0.507 175.835 176.300 0.070 0.000 1.138 329 D CA -0.136 53.906 54.000 0.070 0.000 0.958 329 D CB 0.425 41.272 40.800 0.079 0.000 1.144 329 D HN 0.149 nan 8.370 nan 0.000 0.458 330 D N -0.273 120.181 120.400 0.089 0.000 2.329 330 D HA 0.316 4.954 4.640 -0.003 0.000 0.246 330 D C -0.258 176.126 176.300 0.140 0.000 1.111 330 D CA 0.169 54.225 54.000 0.094 0.000 0.941 330 D CB 0.763 41.689 40.800 0.210 0.000 1.169 330 D HN 0.056 nan 8.370 nan 0.000 0.441 331 T N 0.555 115.171 114.554 0.103 0.000 2.906 331 T HA 0.322 4.670 4.350 -0.003 0.000 0.302 331 T C -0.206 174.627 174.700 0.222 0.000 1.002 331 T CA -0.622 61.547 62.100 0.115 0.000 0.988 331 T CB 1.108 69.955 68.868 -0.035 0.000 0.972 331 T HN -0.016 nan 8.240 nan 0.000 0.447 332 V N 2.925 123.031 119.914 0.319 0.000 2.498 332 V HA 0.738 4.856 4.120 -0.003 0.000 0.279 332 V C 0.345 176.677 176.094 0.396 0.000 1.048 332 V CA -0.630 61.874 62.300 0.340 0.000 0.967 332 V CB 1.039 32.960 31.823 0.164 0.000 0.988 332 V HN 1.040 nan 8.190 nan 0.000 0.473 333 A N 5.131 128.175 122.820 0.372 0.000 2.330 333 A HA 0.849 5.167 4.320 -0.003 0.000 0.313 333 A C -0.925 176.906 177.584 0.413 0.000 1.124 333 A CA -0.498 51.743 52.037 0.341 0.000 0.774 333 A CB 1.543 20.535 19.000 -0.013 0.000 1.198 333 A HN 0.645 nan 8.150 nan 0.000 0.465 334 V N 1.504 121.729 119.914 0.518 0.000 2.656 334 V HA 0.891 5.009 4.120 -0.003 0.000 0.307 334 V C 0.509 176.842 176.094 0.399 0.000 1.051 334 V CA 0.059 62.627 62.300 0.447 0.000 0.893 334 V CB 1.829 33.887 31.823 0.391 0.000 0.999 334 V HN 1.365 nan 8.190 nan 0.000 0.426 335 G N 2.818 111.719 108.800 0.168 0.000 2.704 335 G HA2 0.776 4.734 3.960 -0.003 0.000 0.293 335 G HA3 0.776 4.734 3.960 -0.003 0.000 0.293 335 G C -1.974 172.666 174.900 -0.434 0.000 1.421 335 G CA -0.581 44.398 45.100 -0.200 0.000 0.870 335 G HN 0.813 nan 8.290 nan 0.000 0.492 336 I N 0.758 121.153 120.570 -0.292 0.000 2.512 336 I HA 0.638 4.806 4.170 -0.003 0.000 0.287 336 I C -1.383 174.654 176.117 -0.134 0.000 1.069 336 I CA -0.862 60.336 61.300 -0.169 0.000 1.056 336 I CB 1.951 39.920 38.000 -0.052 0.000 1.229 336 I HN 0.301 nan 8.210 nan 0.000 0.429 337 V N 7.821 127.689 119.914 -0.077 0.000 2.444 337 V HA 0.317 4.435 4.120 -0.003 0.000 0.294 337 V C -1.141 175.030 176.094 0.129 0.000 1.022 337 V CA -0.596 61.700 62.300 -0.006 0.000 0.850 337 V CB 1.526 33.347 31.823 -0.003 0.000 0.992 337 V HN 0.601 nan 8.190 nan 0.000 0.426 338 Y N 5.879 126.187 120.300 0.013 0.000 2.369 338 Y HA 0.570 5.118 4.550 -0.003 0.000 0.337 338 Y C 0.307 176.278 175.900 0.119 0.000 0.961 338 Y CA -0.640 57.499 58.100 0.065 0.000 1.186 338 Y CB 1.036 39.523 38.460 0.045 0.000 1.139 338 Y HN 0.756 nan 8.280 nan 0.000 0.494 339 Q N 5.620 125.193 119.800 -0.378 0.000 2.297 339 Q HA 0.728 5.066 4.340 -0.003 0.000 0.268 339 Q C -1.378 174.366 176.000 -0.427 0.000 1.045 339 Q CA -0.904 54.718 55.803 -0.301 0.000 0.861 339 Q CB 2.586 31.256 28.738 -0.114 0.000 1.344 339 Q HN 0.595 nan 8.270 nan 0.000 0.452 340 F N 0.000 119.760 119.950 -0.317 0.000 2.286 340 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 340 F CA 0.000 57.889 58.000 -0.185 0.000 1.383 340 F CB 0.000 38.918 39.000 -0.137 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574