REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3k19_1_I DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGKAVGL HYFSKGNGEN SYGGNGDMTY ARLGFKGETQ DATA SEQUENCE INSDLTGYGQ WEYNFQGNNS EGADAQTGNK TRLAFAGLKY ADVGSFDYGR DATA SEQUENCE NYGVVYDALG YTDMLPEFGG DTAYSDDFFV GRVGGVATYR NSNFFGLVDG DATA SEQUENCE LNFAVQYLGK NERDTARRSN GDGVGGSISY EYEGFGIVGA YGAADRTNLQ DATA SEQUENCE EAQPLGNGKK AEQWATGLKY DANNIYLAAN YGETRNATPI TNKFTNTSGF DATA SEQUENCE ANKTQDVLLV AQYQFDFGLR PSIAYTKSKA KDVEGIGDVD LVNYFEVGAT DATA SEQUENCE YYFNKNMSTY VDYIINQIDS DNKLGVGSDD TVAVGIVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.725 177.584 0.235 0.000 1.274 1 A CA 0.000 52.193 52.037 0.259 0.000 0.836 1 A CB 0.000 19.209 19.000 0.348 0.000 0.831 2 E N 3.040 123.339 120.200 0.165 0.000 2.292 2 E HA 0.264 4.614 4.350 -0.000 0.000 0.265 2 E C 0.722 177.414 176.600 0.153 0.000 1.093 2 E CA 0.067 56.560 56.400 0.156 0.000 0.922 2 E CB 0.130 29.895 29.700 0.109 0.000 1.001 2 E HN 0.689 nan 8.360 nan 0.000 0.444 3 I N 2.415 123.096 120.570 0.187 0.000 3.883 3 I HA 0.275 4.445 4.170 -0.000 0.000 0.326 3 I C -0.364 175.884 176.117 0.218 0.000 1.283 3 I CA -0.380 61.024 61.300 0.173 0.000 1.161 3 I CB 0.159 38.262 38.000 0.171 0.000 1.012 3 I HN 0.365 nan 8.210 nan 0.000 0.421 4 Y N 1.658 121.993 120.300 0.058 0.000 2.519 4 Y HA 0.557 5.107 4.550 0.000 0.000 0.336 4 Y C -1.670 174.255 175.900 0.042 0.000 1.089 4 Y CA -1.129 56.995 58.100 0.040 0.000 1.025 4 Y CB 1.542 40.019 38.460 0.028 0.000 1.318 4 Y HN 0.076 nan 8.280 nan 0.000 0.452 5 N N 4.734 123.116 118.700 -0.529 0.000 3.151 5 N HA 0.238 4.978 4.740 -0.000 0.000 0.219 5 N C -2.337 172.932 175.510 -0.402 0.000 1.434 5 N CA -0.420 52.452 53.050 -0.298 0.000 0.767 5 N CB 0.568 38.995 38.487 -0.099 0.000 1.564 5 N HN 0.548 nan 8.380 nan 0.000 0.612 6 K N 1.524 121.671 120.400 -0.422 0.000 2.525 6 K HA 0.351 4.671 4.320 -0.000 0.000 0.254 6 K C -0.887 175.697 176.600 -0.027 0.000 0.934 6 K CA -0.413 55.733 56.287 -0.236 0.000 0.802 6 K CB 1.462 33.769 32.500 -0.321 0.000 1.295 6 K HN 0.383 nan 8.250 nan 0.000 0.433 7 D N 1.041 121.439 120.400 -0.003 0.000 2.835 7 D HA -0.151 4.489 4.640 -0.000 0.000 0.230 7 D C 0.739 177.072 176.300 0.055 0.000 1.130 7 D CA 1.754 55.776 54.000 0.037 0.000 0.738 7 D CB -1.221 39.616 40.800 0.063 0.000 1.090 7 D HN 1.018 nan 8.370 nan 0.000 0.433 8 G N -0.093 108.734 108.800 0.045 0.000 2.168 8 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.263 8 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.263 8 G C 0.100 175.052 174.900 0.087 0.000 0.977 8 G CA 0.487 45.622 45.100 0.059 0.000 0.659 8 G HN 0.662 nan 8.290 nan 0.000 0.533 9 N N 0.215 118.983 118.700 0.113 0.000 2.483 9 N HA 0.536 5.276 4.740 -0.000 0.000 0.267 9 N C -0.359 175.284 175.510 0.222 0.000 0.998 9 N CA -0.677 52.472 53.050 0.165 0.000 0.918 9 N CB 0.734 39.332 38.487 0.186 0.000 1.215 9 N HN 0.582 nan 8.380 nan 0.000 0.500 10 K N 1.247 121.760 120.400 0.188 0.000 2.244 10 K HA 0.649 4.969 4.320 -0.000 0.000 0.260 10 K C -1.265 175.472 176.600 0.227 0.000 0.951 10 K CA -0.860 55.552 56.287 0.208 0.000 0.826 10 K CB 1.707 34.280 32.500 0.122 0.000 1.108 10 K HN 0.064 nan 8.250 nan 0.000 0.433 11 V N 2.563 122.643 119.914 0.277 0.000 2.384 11 V HA 0.178 4.298 4.120 -0.000 0.000 0.287 11 V C -0.936 175.296 176.094 0.231 0.000 1.020 11 V CA -0.627 61.796 62.300 0.206 0.000 0.850 11 V CB 1.414 33.288 31.823 0.084 0.000 0.987 11 V HN 0.882 nan 8.190 nan 0.000 0.436 12 D N 4.493 125.051 120.400 0.262 0.000 2.392 12 D HA 0.314 4.954 4.640 -0.000 0.000 0.228 12 D C -0.781 175.760 176.300 0.402 0.000 1.074 12 D CA -0.388 53.785 54.000 0.288 0.000 0.838 12 D CB 1.651 42.590 40.800 0.231 0.000 1.067 12 D HN 0.371 nan 8.370 nan 0.000 0.511 13 L N 6.949 128.395 121.223 0.373 0.000 2.270 13 L HA 0.334 4.674 4.340 -0.000 0.000 0.286 13 L C -1.105 176.036 176.870 0.452 0.000 1.059 13 L CA -0.502 54.578 54.840 0.400 0.000 0.839 13 L CB -0.223 42.044 42.059 0.346 0.000 1.221 13 L HN 0.326 nan 8.230 nan 0.000 0.431 14 Y N 3.128 123.499 120.300 0.118 0.000 2.699 14 Y HA 1.039 5.589 4.550 0.000 0.000 0.326 14 Y C 0.447 176.006 175.900 -0.567 0.000 1.141 14 Y CA -0.546 57.380 58.100 -0.290 0.000 1.246 14 Y CB 1.105 39.441 38.460 -0.205 0.000 1.426 14 Y HN 0.695 nan 8.280 nan 0.000 0.559 15 G N 0.198 108.485 108.800 -0.855 0.000 2.341 15 G HA2 0.456 4.416 3.960 -0.000 0.000 0.293 15 G HA3 0.456 4.416 3.960 -0.000 0.000 0.293 15 G C -2.196 172.432 174.900 -0.454 0.000 1.298 15 G CA -0.792 43.956 45.100 -0.587 0.000 0.868 15 G HN 1.134 nan 8.290 nan 0.000 0.540 16 K N -1.907 118.436 120.400 -0.096 0.000 2.639 16 K HA 0.721 5.041 4.320 -0.000 0.000 0.279 16 K C -1.094 175.549 176.600 0.070 0.000 0.976 16 K CA -0.534 55.769 56.287 0.027 0.000 0.861 16 K CB 1.535 34.011 32.500 -0.040 0.000 1.436 16 K HN 1.857 nan 8.250 nan 0.000 0.400 17 A N 1.821 124.722 122.820 0.135 0.000 2.267 17 A HA 0.564 4.884 4.320 -0.000 0.000 0.315 17 A C -0.889 176.666 177.584 -0.048 0.000 1.297 17 A CA -0.738 51.323 52.037 0.040 0.000 0.865 17 A CB 0.923 19.983 19.000 0.101 0.000 1.165 17 A HN 0.376 nan 8.150 nan 0.000 0.513 18 V N 3.149 122.912 119.914 -0.252 0.000 2.293 18 V HA 0.477 4.597 4.120 -0.000 0.000 0.275 18 V C 0.975 176.967 176.094 -0.171 0.000 1.021 18 V CA -0.300 61.835 62.300 -0.274 0.000 0.815 18 V CB 1.179 32.636 31.823 -0.610 0.000 1.025 18 V HN 1.019 nan 8.190 nan 0.000 0.448 19 G N 4.754 113.516 108.800 -0.064 0.000 2.354 19 G HA2 0.487 4.447 3.960 -0.000 0.000 0.266 19 G HA3 0.487 4.447 3.960 -0.000 0.000 0.266 19 G C -0.980 173.919 174.900 -0.000 0.000 1.242 19 G CA 0.028 45.116 45.100 -0.019 0.000 0.923 19 G HN 0.494 nan 8.290 nan 0.000 0.476 20 L N 1.980 123.232 121.223 0.049 0.000 2.445 20 L HA 0.752 5.092 4.340 -0.000 0.000 0.262 20 L C -1.068 175.876 176.870 0.124 0.000 0.974 20 L CA -1.108 53.793 54.840 0.102 0.000 0.822 20 L CB 2.469 44.634 42.059 0.178 0.000 1.339 20 L HN 0.691 nan 8.230 nan 0.000 0.409 21 H N 2.195 121.305 119.070 0.065 0.000 2.954 21 H HA 0.618 5.174 4.556 -0.000 0.000 0.361 21 H C -1.762 173.621 175.328 0.092 0.000 1.122 21 H CA -0.362 55.653 56.048 -0.055 0.000 1.217 21 H CB 1.334 30.968 29.762 -0.214 0.000 1.776 21 H HN 0.466 nan 8.280 nan 0.000 0.533 22 Y N 3.766 123.746 120.300 -0.532 0.000 2.360 22 Y HA 0.355 4.905 4.550 0.000 0.000 0.337 22 Y C -0.846 174.832 175.900 -0.369 0.000 1.039 22 Y CA -1.111 56.852 58.100 -0.228 0.000 1.109 22 Y CB 0.809 39.212 38.460 -0.096 0.000 1.201 22 Y HN 0.500 nan 8.280 nan 0.000 0.458 23 F N 1.695 121.828 119.950 0.306 0.000 2.445 23 F HA 0.585 5.112 4.527 0.000 0.000 0.348 23 F C -0.010 175.894 175.800 0.174 0.000 1.125 23 F CA -0.318 57.826 58.000 0.241 0.000 0.983 23 F CB 1.523 40.646 39.000 0.205 0.000 1.198 23 F HN 0.253 nan 8.300 nan 0.000 0.436 24 S N 1.701 117.576 115.700 0.291 0.000 2.579 24 S HA 0.463 4.933 4.470 -0.000 0.000 0.272 24 S C -0.978 173.723 174.600 0.168 0.000 1.141 24 S CA -1.378 56.944 58.200 0.204 0.000 0.843 24 S CB 2.180 65.468 63.200 0.148 0.000 1.122 24 S HN 0.551 nan 8.310 nan 0.000 0.468 25 K N 0.691 121.171 120.400 0.133 0.000 2.258 25 K HA 0.640 4.960 4.320 -0.000 0.000 0.264 25 K C 0.784 177.436 176.600 0.086 0.000 1.007 25 K CA -0.048 56.303 56.287 0.107 0.000 0.941 25 K CB -0.152 32.402 32.500 0.090 0.000 0.966 25 K HN 0.992 nan 8.250 nan 0.000 0.480 26 G N 1.747 110.593 108.800 0.076 0.000 2.645 26 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.246 26 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.246 26 G C 0.486 175.420 174.900 0.057 0.000 1.322 26 G CA 0.431 45.567 45.100 0.060 0.000 0.898 26 G HN 0.922 nan 8.290 nan 0.000 0.573 27 N N 0.772 119.498 118.700 0.042 0.000 2.132 27 N HA 0.100 4.840 4.740 -0.000 0.000 0.191 27 N C 2.153 177.682 175.510 0.032 0.000 1.015 27 N CA 3.624 56.693 53.050 0.032 0.000 0.864 27 N CB -0.521 37.978 38.487 0.020 0.000 1.006 27 N HN 2.361 nan 8.380 nan 0.000 0.430 28 G N -0.667 108.157 108.800 0.040 0.000 2.176 28 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.232 28 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.232 28 G C 0.638 175.550 174.900 0.021 0.000 0.986 28 G CA 0.502 45.628 45.100 0.043 0.000 0.643 28 G HN 0.552 nan 8.290 nan 0.000 0.522 29 E N 0.280 120.487 120.200 0.011 0.000 2.268 29 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 29 E C 1.794 178.389 176.600 -0.007 0.000 0.995 29 E CA 1.037 57.433 56.400 -0.005 0.000 0.836 29 E CB -0.202 29.495 29.700 -0.005 0.000 0.763 29 E HN 0.601 nan 8.360 nan 0.000 0.491 30 N N 0.423 119.129 118.700 0.010 0.000 2.236 30 N HA -0.021 4.719 4.740 -0.000 0.000 0.196 30 N C 0.098 175.622 175.510 0.022 0.000 1.114 30 N CA 0.148 53.206 53.050 0.013 0.000 0.859 30 N CB 0.475 38.979 38.487 0.029 0.000 0.982 30 N HN 0.074 nan 8.380 nan 0.000 0.493 31 S N -0.801 114.914 115.700 0.025 0.000 2.686 31 S HA 0.043 4.513 4.470 -0.000 0.000 0.270 31 S C 1.027 175.641 174.600 0.023 0.000 1.194 31 S CA -0.659 57.565 58.200 0.041 0.000 0.990 31 S CB 0.500 63.736 63.200 0.059 0.000 1.029 31 S HN 0.274 nan 8.310 nan 0.000 0.560 32 Y N 0.732 120.964 120.300 -0.113 0.000 2.184 32 Y HA 0.232 4.782 4.550 0.000 0.000 0.290 32 Y C 2.007 177.788 175.900 -0.199 0.000 1.129 32 Y CA 1.801 59.790 58.100 -0.185 0.000 1.144 32 Y CB -0.793 37.475 38.460 -0.319 0.000 0.995 32 Y HN 0.733 nan 8.280 nan 0.000 0.513 33 G N -1.029 107.592 108.800 -0.298 0.000 3.079 33 G HA2 0.450 4.410 3.960 -0.000 0.000 0.233 33 G HA3 0.450 4.410 3.960 -0.000 0.000 0.233 33 G C 0.450 175.437 174.900 0.145 0.000 1.062 33 G CA 0.317 45.268 45.100 -0.249 0.000 0.809 33 G HN 0.909 nan 8.290 nan 0.000 0.535 34 G N -0.132 108.725 108.800 0.096 0.000 2.500 34 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.209 34 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.209 34 G C -1.057 173.944 174.900 0.169 0.000 1.283 34 G CA -0.149 45.019 45.100 0.112 0.000 0.960 34 G HN 0.766 nan 8.290 nan 0.000 0.528 35 N N 0.200 118.942 118.700 0.070 0.000 2.493 35 N HA 0.608 5.348 4.740 -0.000 0.000 0.279 35 N C -0.082 175.341 175.510 -0.146 0.000 1.082 35 N CA 0.886 53.945 53.050 0.015 0.000 0.963 35 N CB 1.616 40.132 38.487 0.048 0.000 1.627 35 N HN 2.565 nan 8.380 nan 0.000 0.499 36 G N 2.033 110.592 108.800 -0.402 0.000 2.353 36 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.615 36 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.615 36 G C -1.323 173.070 174.900 -0.845 0.000 1.280 36 G CA -0.787 43.951 45.100 -0.602 0.000 1.000 36 G HN 0.643 nan 8.290 nan 0.000 0.516 37 D N -0.063 120.044 120.400 -0.489 0.000 2.533 37 D HA 0.345 4.985 4.640 -0.000 0.000 0.236 37 D C 1.254 177.387 176.300 -0.279 0.000 1.137 37 D CA 0.396 54.244 54.000 -0.254 0.000 0.867 37 D CB 0.352 41.122 40.800 -0.051 0.000 1.170 37 D HN 0.329 nan 8.370 nan 0.000 0.474 38 M N 2.406 121.868 119.600 -0.230 0.000 2.625 38 M HA 0.073 4.553 4.480 -0.000 0.000 0.396 38 M C -0.140 176.171 176.300 0.019 0.000 1.174 38 M CA -0.305 54.854 55.300 -0.235 0.000 0.898 38 M CB -0.236 32.030 32.600 -0.558 0.000 1.450 38 M HN 0.212 nan 8.290 nan 0.000 0.522 39 T N 2.551 117.131 114.554 0.043 0.000 2.946 39 T HA 0.221 4.571 4.350 -0.000 0.000 0.311 39 T C -0.412 174.403 174.700 0.192 0.000 1.063 39 T CA 0.696 62.850 62.100 0.090 0.000 1.139 39 T CB 0.081 68.973 68.868 0.040 0.000 0.994 39 T HN 0.432 nan 8.240 nan 0.000 0.547 40 Y N -0.824 119.492 120.300 0.026 0.000 2.713 40 Y HA 0.712 5.262 4.550 -0.000 0.000 0.335 40 Y C -1.151 174.800 175.900 0.084 0.000 1.222 40 Y CA -1.779 56.350 58.100 0.048 0.000 1.061 40 Y CB 0.688 39.157 38.460 0.016 0.000 1.314 40 Y HN 0.785 nan 8.280 nan 0.000 0.453 41 A N 2.019 124.948 122.820 0.183 0.000 2.479 41 A HA 0.970 5.290 4.320 -0.000 0.000 0.296 41 A C -1.275 176.478 177.584 0.281 0.000 1.121 41 A CA -1.199 50.907 52.037 0.114 0.000 0.743 41 A CB 1.913 20.995 19.000 0.138 0.000 1.323 41 A HN 0.669 nan 8.150 nan 0.000 0.415 42 R N -0.481 120.128 120.500 0.182 0.000 2.807 42 R HA 0.796 5.136 4.340 -0.000 0.000 0.276 42 R C -1.891 174.461 176.300 0.086 0.000 0.979 42 R CA -0.709 55.477 56.100 0.143 0.000 0.928 42 R CB 1.711 32.052 30.300 0.068 0.000 1.191 42 R HN 0.671 nan 8.270 nan 0.000 0.471 43 L N -0.648 120.572 121.223 -0.005 0.000 2.466 43 L HA 0.809 5.149 4.340 -0.000 0.000 0.258 43 L C -0.758 175.822 176.870 -0.484 0.000 0.973 43 L CA -0.034 54.744 54.840 -0.103 0.000 0.826 43 L CB 2.484 44.683 42.059 0.233 0.000 1.372 43 L HN 0.800 nan 8.230 nan 0.000 0.409 44 G N 1.834 110.281 108.800 -0.589 0.000 2.349 44 G HA2 0.552 4.512 3.960 -0.000 0.000 0.294 44 G HA3 0.552 4.512 3.960 -0.000 0.000 0.294 44 G C -2.155 172.547 174.900 -0.330 0.000 1.380 44 G CA -0.116 44.569 45.100 -0.691 0.000 0.811 44 G HN 1.072 nan 8.290 nan 0.000 0.519 45 F N -0.785 119.228 119.950 0.105 0.000 2.588 45 F HA 0.782 5.309 4.527 -0.000 0.000 0.314 45 F C -0.807 175.198 175.800 0.342 0.000 1.134 45 F CA -1.728 56.444 58.000 0.287 0.000 0.961 45 F CB 1.552 40.689 39.000 0.229 0.000 1.239 45 F HN 0.383 nan 8.300 nan 0.000 0.448 46 K N 3.007 123.750 120.400 0.570 0.000 2.263 46 K HA 0.649 4.969 4.320 -0.000 0.000 0.272 46 K C -0.053 176.778 176.600 0.386 0.000 1.033 46 K CA -0.742 55.765 56.287 0.367 0.000 0.884 46 K CB 1.851 34.460 32.500 0.181 0.000 1.107 46 K HN 0.986 nan 8.250 nan 0.000 0.460 47 G N 2.274 111.313 108.800 0.399 0.000 2.372 47 G HA2 0.323 4.283 3.960 -0.000 0.000 0.323 47 G HA3 0.323 4.283 3.960 -0.000 0.000 0.323 47 G C -1.192 173.863 174.900 0.259 0.000 1.152 47 G CA -0.315 44.955 45.100 0.284 0.000 0.906 47 G HN 0.623 nan 8.290 nan 0.000 0.460 48 E N 0.806 121.131 120.200 0.210 0.000 2.274 48 E HA 0.489 4.839 4.350 -0.000 0.000 0.269 48 E C -1.427 175.274 176.600 0.168 0.000 0.891 48 E CA -0.609 55.916 56.400 0.208 0.000 0.784 48 E CB 2.140 31.941 29.700 0.168 0.000 1.225 48 E HN 0.391 nan 8.360 nan 0.000 0.412 49 T N 3.333 117.988 114.554 0.168 0.000 2.848 49 T HA 0.264 4.614 4.350 -0.000 0.000 0.285 49 T C -1.026 173.752 174.700 0.130 0.000 0.995 49 T CA -0.543 61.637 62.100 0.134 0.000 0.970 49 T CB 1.278 70.214 68.868 0.114 0.000 0.976 49 T HN 0.450 nan 8.240 nan 0.000 0.441 50 Q N 5.028 124.893 119.800 0.108 0.000 2.389 50 Q HA 0.310 4.650 4.340 -0.000 0.000 0.244 50 Q C 1.119 177.173 176.000 0.090 0.000 1.056 50 Q CA -0.285 55.579 55.803 0.102 0.000 0.908 50 Q CB 0.964 29.753 28.738 0.086 0.000 1.273 50 Q HN 0.736 nan 8.270 nan 0.000 0.471 51 I N 1.461 122.088 120.570 0.094 0.000 2.493 51 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 51 I C 0.686 176.846 176.117 0.071 0.000 1.160 51 I CA 1.036 62.380 61.300 0.074 0.000 1.445 51 I CB -0.297 37.743 38.000 0.066 0.000 1.086 51 I HN 0.689 nan 8.210 nan 0.000 0.433 52 N N -2.846 115.906 118.700 0.087 0.000 3.505 52 N HA 0.055 4.795 4.740 -0.000 0.000 0.349 52 N C 0.244 175.813 175.510 0.097 0.000 1.491 52 N CA -0.125 52.976 53.050 0.084 0.000 0.859 52 N CB 0.207 38.743 38.487 0.083 0.000 2.068 52 N HN -0.319 nan 8.380 nan 0.000 0.500 53 S N -0.894 114.863 115.700 0.096 0.000 2.382 53 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 53 S C 0.200 174.865 174.600 0.108 0.000 1.027 53 S CA 1.556 59.809 58.200 0.089 0.000 0.991 53 S CB -0.511 62.734 63.200 0.076 0.000 0.823 53 S HN 0.570 nan 8.310 nan 0.000 0.469 54 D N -0.372 120.126 120.400 0.164 0.000 2.423 54 D HA 0.197 4.837 4.640 -0.000 0.000 0.212 54 D C -0.055 176.437 176.300 0.318 0.000 1.060 54 D CA 0.051 54.173 54.000 0.204 0.000 0.872 54 D CB 0.119 41.057 40.800 0.231 0.000 1.012 54 D HN 0.204 nan 8.370 nan 0.000 0.503 55 L N 1.297 122.692 121.223 0.287 0.000 2.275 55 L HA 0.334 4.674 4.340 -0.000 0.000 0.288 55 L C -0.539 176.444 176.870 0.188 0.000 1.046 55 L CA 0.211 55.200 54.840 0.250 0.000 0.805 55 L CB 1.732 43.867 42.059 0.126 0.000 1.193 55 L HN -0.293 nan 8.230 nan 0.000 0.426 56 T N 3.819 118.503 114.554 0.217 0.000 2.841 56 T HA 0.667 5.017 4.350 -0.000 0.000 0.285 56 T C -0.032 174.837 174.700 0.281 0.000 0.991 56 T CA -0.539 61.695 62.100 0.222 0.000 0.966 56 T CB 1.398 70.395 68.868 0.216 0.000 0.962 56 T HN 0.759 nan 8.240 nan 0.000 0.438 57 G N 2.407 111.343 108.800 0.227 0.000 2.371 57 G HA2 0.677 4.637 3.960 -0.000 0.000 0.326 57 G HA3 0.677 4.637 3.960 -0.000 0.000 0.326 57 G C -1.294 173.772 174.900 0.276 0.000 1.127 57 G CA -0.649 44.562 45.100 0.184 0.000 0.885 57 G HN 0.720 nan 8.290 nan 0.000 0.477 58 Y N -0.678 119.710 120.300 0.147 0.000 2.597 58 Y HA 0.825 5.375 4.550 0.000 0.000 0.340 58 Y C -0.009 175.989 175.900 0.162 0.000 1.097 58 Y CA -1.408 56.784 58.100 0.153 0.000 1.037 58 Y CB 1.520 40.077 38.460 0.161 0.000 1.305 58 Y HN 0.852 nan 8.280 nan 0.000 0.463 59 G N 0.925 109.883 108.800 0.264 0.000 2.696 59 G HA2 0.555 4.515 3.960 -0.000 0.000 0.295 59 G HA3 0.555 4.515 3.960 -0.000 0.000 0.295 59 G C -2.430 172.538 174.900 0.113 0.000 1.398 59 G CA -0.982 44.204 45.100 0.144 0.000 0.920 59 G HN 0.851 nan 8.290 nan 0.000 0.492 60 Q N -0.495 119.142 119.800 -0.272 0.000 2.391 60 Q HA 0.554 4.894 4.340 -0.000 0.000 0.279 60 Q C -2.344 173.319 176.000 -0.561 0.000 1.028 60 Q CA -0.949 54.587 55.803 -0.446 0.000 0.836 60 Q CB 2.966 31.392 28.738 -0.520 0.000 1.414 60 Q HN 0.671 nan 8.270 nan 0.000 0.397 61 W N 3.201 123.936 121.300 -0.941 0.000 3.259 61 W HA 0.510 5.170 4.660 -0.000 0.000 0.331 61 W C -1.964 174.287 176.519 -0.447 0.000 1.144 61 W CA -0.260 56.670 57.345 -0.691 0.000 1.227 61 W CB 1.515 30.490 29.460 -0.808 0.000 1.371 61 W HN 0.657 nan 8.180 nan 0.000 0.491 62 E N 5.553 125.150 120.200 -1.005 0.000 2.260 62 E HA 0.267 4.617 4.350 -0.000 0.000 0.266 62 E C -2.173 173.860 176.600 -0.945 0.000 0.887 62 E CA -0.731 55.140 56.400 -0.882 0.000 0.777 62 E CB 1.718 31.229 29.700 -0.315 0.000 1.205 62 E HN 0.515 nan 8.360 nan 0.000 0.414 63 Y N 3.215 122.836 120.300 -1.133 0.000 2.528 63 Y HA 0.470 5.020 4.550 -0.000 0.000 0.335 63 Y C -0.848 174.742 175.900 -0.518 0.000 1.093 63 Y CA -0.832 56.777 58.100 -0.818 0.000 1.134 63 Y CB 1.765 39.718 38.460 -0.844 0.000 1.253 63 Y HN 0.593 nan 8.280 nan 0.000 0.478 64 N N 2.996 121.182 118.700 -0.856 0.000 2.524 64 N HA 0.327 5.067 4.740 -0.000 0.000 0.261 64 N C -2.200 173.058 175.510 -0.420 0.000 0.998 64 N CA -0.341 52.443 53.050 -0.443 0.000 0.915 64 N CB 0.348 38.596 38.487 -0.399 0.000 1.187 64 N HN 0.371 nan 8.380 nan 0.000 0.507 65 F N 1.901 121.930 119.950 0.132 0.000 2.391 65 F HA 0.357 4.884 4.527 -0.000 0.000 0.359 65 F C 0.775 176.655 175.800 0.133 0.000 1.122 65 F CA -0.685 57.421 58.000 0.176 0.000 1.120 65 F CB 1.106 40.227 39.000 0.200 0.000 1.142 65 F HN 0.221 nan 8.300 nan 0.000 0.483 66 Q N 1.756 121.686 119.800 0.217 0.000 2.373 66 Q HA 0.262 4.602 4.340 -0.000 0.000 0.255 66 Q C 0.927 177.026 176.000 0.166 0.000 0.980 66 Q CA 0.158 56.056 55.803 0.158 0.000 0.882 66 Q CB 1.523 30.293 28.738 0.055 0.000 1.249 66 Q HN 0.954 nan 8.270 nan 0.000 0.438 67 G N 1.342 110.223 108.800 0.136 0.000 3.228 67 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.245 67 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.245 67 G C 0.477 175.409 174.900 0.053 0.000 1.051 67 G CA -0.205 44.951 45.100 0.092 0.000 0.809 67 G HN 0.592 nan 8.290 nan 0.000 0.531 68 N N 0.202 118.924 118.700 0.037 0.000 2.230 68 N HA 0.091 4.831 4.740 -0.000 0.000 0.202 68 N C -0.177 175.332 175.510 -0.001 0.000 1.119 68 N CA -0.509 52.543 53.050 0.003 0.000 0.851 68 N CB -0.032 38.434 38.487 -0.035 0.000 0.990 68 N HN -0.035 nan 8.380 nan 0.000 0.497 69 N N 0.437 119.146 118.700 0.015 0.000 2.476 69 N HA 0.186 4.926 4.740 -0.000 0.000 0.275 69 N C 0.252 175.772 175.510 0.017 0.000 1.190 69 N CA -0.375 52.683 53.050 0.013 0.000 0.977 69 N CB 1.447 39.948 38.487 0.023 0.000 1.200 69 N HN 0.318 nan 8.380 nan 0.000 0.515 70 S N -0.420 115.287 115.700 0.012 0.000 2.652 70 S HA 0.209 4.679 4.470 -0.000 0.000 0.267 70 S C 0.483 175.095 174.600 0.019 0.000 1.201 70 S CA -0.343 57.864 58.200 0.013 0.000 0.996 70 S CB 0.608 63.813 63.200 0.008 0.000 1.054 70 S HN 0.524 nan 8.310 nan 0.000 0.561 71 E N -0.088 120.122 120.200 0.016 0.000 2.444 71 E HA 0.221 4.571 4.350 -0.000 0.000 0.191 71 E C 1.029 177.638 176.600 0.015 0.000 1.041 71 E CA -0.075 56.335 56.400 0.018 0.000 0.883 71 E CB 0.165 29.873 29.700 0.014 0.000 1.024 71 E HN 0.701 nan 8.360 nan 0.000 0.470 72 G N 1.022 109.830 108.800 0.013 0.000 3.137 72 G HA2 0.241 4.201 3.960 -0.000 0.000 0.163 72 G HA3 0.241 4.201 3.960 -0.000 0.000 0.163 72 G C 1.145 176.052 174.900 0.012 0.000 1.602 72 G CA 0.302 45.408 45.100 0.010 0.000 1.067 72 G HN 0.171 nan 8.290 nan 0.000 0.568 73 A N 0.398 123.223 122.820 0.008 0.000 1.933 73 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 73 A C 1.751 179.340 177.584 0.009 0.000 1.175 73 A CA 2.254 54.296 52.037 0.007 0.000 0.628 73 A CB -0.500 18.502 19.000 0.003 0.000 0.814 73 A HN 0.546 nan 8.150 nan 0.000 0.444 74 D N -0.217 120.188 120.400 0.007 0.000 2.370 74 D HA 0.352 4.992 4.640 -0.000 0.000 0.230 74 D C 1.271 177.580 176.300 0.015 0.000 1.143 74 D CA 0.619 54.623 54.000 0.006 0.000 0.834 74 D CB -0.297 40.501 40.800 -0.002 0.000 0.944 74 D HN 0.308 nan 8.370 nan 0.000 0.504 75 A N 0.590 123.425 122.820 0.025 0.000 1.986 75 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 75 A C 2.087 179.705 177.584 0.057 0.000 1.171 75 A CA 1.253 53.315 52.037 0.042 0.000 0.640 75 A CB -0.229 18.799 19.000 0.046 0.000 0.811 75 A HN 0.135 nan 8.150 nan 0.000 0.451 76 Q N -0.439 119.388 119.800 0.045 0.000 2.402 76 Q HA 0.033 4.373 4.340 -0.000 0.000 0.206 76 Q C 0.178 176.191 176.000 0.021 0.000 0.919 76 Q CA 0.406 56.240 55.803 0.051 0.000 0.923 76 Q CB -0.634 28.131 28.738 0.044 0.000 1.048 76 Q HN 0.525 nan 8.270 nan 0.000 0.515 77 T N 1.284 115.841 114.554 0.004 0.000 2.738 77 T HA 0.203 4.553 4.350 -0.000 0.000 0.277 77 T C 1.144 175.820 174.700 -0.040 0.000 0.981 77 T CA 1.196 63.282 62.100 -0.023 0.000 1.211 77 T CB -0.000 68.852 68.868 -0.027 0.000 0.932 77 T HN 0.584 nan 8.240 nan 0.000 0.522 78 G N 4.074 112.832 108.800 -0.071 0.000 2.259 78 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 78 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 78 G C 0.167 174.970 174.900 -0.162 0.000 1.001 78 G CA -0.664 44.370 45.100 -0.111 0.000 0.627 78 G HN 0.622 nan 8.290 nan 0.000 0.501 79 N N 2.017 120.637 118.700 -0.132 0.000 2.492 79 N HA 0.523 5.263 4.740 -0.000 0.000 0.260 79 N C 0.266 175.541 175.510 -0.392 0.000 1.215 79 N CA 1.001 53.900 53.050 -0.251 0.000 0.923 79 N CB 0.829 39.302 38.487 -0.023 0.000 1.092 79 N HN 0.941 nan 8.380 nan 0.000 0.448 80 K N -1.655 118.233 120.400 -0.854 0.000 2.703 80 K HA 0.243 4.563 4.320 -0.000 0.000 0.285 80 K C -1.580 174.403 176.600 -1.027 0.000 1.014 80 K CA -0.811 55.062 56.287 -0.691 0.000 0.858 80 K CB 0.178 32.439 32.500 -0.398 0.000 1.467 80 K HN 0.225 nan 8.250 nan 0.000 0.383 81 T N 2.286 116.567 114.554 -0.456 0.000 2.749 81 T HA 0.229 4.579 4.350 -0.000 0.000 0.295 81 T C 0.951 175.478 174.700 -0.289 0.000 0.936 81 T CA -0.412 61.535 62.100 -0.255 0.000 1.060 81 T CB 0.897 69.844 68.868 0.133 0.000 0.904 81 T HN 0.490 nan 8.240 nan 0.000 0.500 82 R N 2.184 122.470 120.500 -0.357 0.000 2.090 82 R HA 0.293 4.633 4.340 -0.000 0.000 0.219 82 R C 0.192 176.359 176.300 -0.221 0.000 1.100 82 R CA 0.681 56.604 56.100 -0.296 0.000 0.991 82 R CB 0.137 30.262 30.300 -0.292 0.000 0.893 82 R HN 0.445 nan 8.270 nan 0.000 0.443 83 L N -0.708 120.399 121.223 -0.194 0.000 2.388 83 L HA 0.698 5.038 4.340 -0.000 0.000 0.264 83 L C -1.298 175.546 176.870 -0.043 0.000 0.998 83 L CA -1.047 53.758 54.840 -0.057 0.000 0.817 83 L CB 2.457 44.529 42.059 0.022 0.000 1.338 83 L HN -0.007 nan 8.230 nan 0.000 0.414 84 A N 3.183 126.044 122.820 0.069 0.000 2.483 84 A HA 0.658 4.978 4.320 -0.000 0.000 0.298 84 A C -1.255 176.399 177.584 0.117 0.000 1.052 84 A CA -0.399 51.671 52.037 0.055 0.000 0.978 84 A CB 0.252 19.356 19.000 0.173 0.000 1.506 84 A HN 0.625 nan 8.150 nan 0.000 0.388 85 F N -0.448 119.529 119.950 0.045 0.000 2.741 85 F HA 0.962 5.489 4.527 -0.000 0.000 0.313 85 F C -0.347 175.479 175.800 0.045 0.000 1.153 85 F CA -0.780 57.231 58.000 0.018 0.000 0.931 85 F CB 1.022 40.010 39.000 -0.019 0.000 1.335 85 F HN 1.144 nan 8.300 nan 0.000 0.460 86 A N 0.228 123.210 122.820 0.270 0.000 2.539 86 A HA 1.003 5.323 4.320 -0.000 0.000 0.296 86 A C -0.662 176.868 177.584 -0.090 0.000 1.073 86 A CA -0.305 51.764 52.037 0.054 0.000 0.700 86 A CB 1.431 20.452 19.000 0.036 0.000 1.296 86 A HN 2.113 nan 8.150 nan 0.000 0.405 87 G N -0.741 107.716 108.800 -0.571 0.000 2.548 87 G HA2 0.607 4.567 3.960 -0.000 0.000 0.301 87 G HA3 0.607 4.567 3.960 -0.000 0.000 0.301 87 G C -2.030 172.524 174.900 -0.577 0.000 1.349 87 G CA -0.600 44.161 45.100 -0.564 0.000 0.792 87 G HN 0.919 nan 8.290 nan 0.000 0.481 88 L N 0.008 121.246 121.223 0.025 0.000 2.408 88 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 88 L C -0.488 176.660 176.870 0.463 0.000 0.986 88 L CA -0.853 54.146 54.840 0.264 0.000 0.820 88 L CB 2.617 44.792 42.059 0.194 0.000 1.303 88 L HN 0.394 nan 8.230 nan 0.000 0.411 89 K N 2.128 122.797 120.400 0.450 0.000 2.182 89 K HA 0.542 4.862 4.320 -0.000 0.000 0.262 89 K C -1.580 175.229 176.600 0.348 0.000 0.957 89 K CA -0.756 55.728 56.287 0.329 0.000 0.842 89 K CB 2.093 34.718 32.500 0.209 0.000 1.099 89 K HN 0.301 nan 8.250 nan 0.000 0.438 90 Y N 2.326 122.715 120.300 0.148 0.000 2.327 90 Y HA 0.390 4.940 4.550 0.000 0.000 0.325 90 Y C 0.436 176.403 175.900 0.111 0.000 0.999 90 Y CA -0.454 57.722 58.100 0.127 0.000 1.195 90 Y CB 0.530 39.071 38.460 0.134 0.000 1.132 90 Y HN 0.946 nan 8.280 nan 0.000 0.455 91 A N 3.871 126.577 122.820 -0.190 0.000 5.273 91 A HA -0.351 3.969 4.320 -0.000 0.000 0.350 91 A C 0.945 178.453 177.584 -0.126 0.000 1.652 91 A CA 2.402 54.277 52.037 -0.269 0.000 0.709 91 A CB -1.552 17.096 19.000 -0.586 0.000 1.486 91 A HN 0.727 nan 8.150 nan 0.000 0.411 92 D N -0.943 119.384 120.400 -0.122 0.000 2.501 92 D HA 0.384 5.024 4.640 -0.000 0.000 0.224 92 D C 1.324 177.693 176.300 0.115 0.000 1.202 92 D CA 0.708 54.714 54.000 0.010 0.000 0.829 92 D CB 0.368 41.203 40.800 0.059 0.000 1.023 92 D HN 0.267 nan 8.370 nan 0.000 0.499 93 V N -0.220 119.742 119.914 0.080 0.000 2.649 93 V HA 0.279 4.399 4.120 -0.000 0.000 0.248 93 V C 1.418 177.683 176.094 0.286 0.000 1.054 93 V CA 1.031 63.495 62.300 0.273 0.000 1.073 93 V CB -0.292 31.691 31.823 0.268 0.000 0.699 93 V HN 0.370 nan 8.190 nan 0.000 0.463 94 G N 0.249 109.135 108.800 0.142 0.000 2.353 94 G HA2 0.183 4.143 3.960 -0.000 0.000 0.615 94 G HA3 0.183 4.143 3.960 -0.000 0.000 0.615 94 G C -0.493 174.482 174.900 0.126 0.000 1.280 94 G CA -0.220 44.878 45.100 -0.003 0.000 1.000 94 G HN 0.925 nan 8.290 nan 0.000 0.516 95 S N -1.303 114.397 115.700 0.000 0.000 2.599 95 S HA 0.897 5.367 4.470 -0.000 0.000 0.294 95 S C -1.079 173.720 174.600 0.331 0.000 1.094 95 S CA -0.407 57.912 58.200 0.199 0.000 0.931 95 S CB 2.535 65.813 63.200 0.130 0.000 1.093 95 S HN 2.058 nan 8.310 nan 0.000 0.488 96 F N 1.507 121.612 119.950 0.258 0.000 2.588 96 F HA 0.626 5.153 4.527 -0.000 0.000 0.314 96 F C -2.108 173.814 175.800 0.204 0.000 1.134 96 F CA -0.413 57.737 58.000 0.250 0.000 0.961 96 F CB 1.607 40.767 39.000 0.267 0.000 1.239 96 F HN 0.938 nan 8.300 nan 0.000 0.448 97 D N 3.454 123.467 120.400 -0.645 0.000 2.602 97 D HA 0.418 5.058 4.640 -0.000 0.000 0.236 97 D C -2.061 173.920 176.300 -0.530 0.000 1.209 97 D CA -0.556 53.182 54.000 -0.437 0.000 0.831 97 D CB 1.989 42.745 40.800 -0.072 0.000 1.478 97 D HN 0.499 nan 8.370 nan 0.000 0.438 98 Y N 0.031 120.155 120.300 -0.295 0.000 2.524 98 Y HA 0.674 5.224 4.550 -0.000 0.000 0.347 98 Y C 0.194 176.121 175.900 0.046 0.000 1.005 98 Y CA 0.573 58.585 58.100 -0.147 0.000 1.025 98 Y CB 1.943 40.368 38.460 -0.059 0.000 1.275 98 Y HN 1.025 nan 8.280 nan 0.000 0.460 99 G N 3.699 112.008 108.800 -0.819 0.000 2.260 99 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.250 99 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.250 99 G C -1.655 173.063 174.900 -0.304 0.000 1.340 99 G CA -1.011 43.824 45.100 -0.443 0.000 1.056 99 G HN 0.748 nan 8.290 nan 0.000 0.471 100 R N 1.146 121.602 120.500 -0.073 0.000 2.205 100 R HA 0.530 4.870 4.340 -0.000 0.000 0.342 100 R C -0.471 175.848 176.300 0.031 0.000 1.058 100 R CA -0.364 55.697 56.100 -0.065 0.000 0.904 100 R CB -0.014 30.254 30.300 -0.053 0.000 1.089 100 R HN 0.551 nan 8.270 nan 0.000 0.471 101 N N 2.429 121.069 118.700 -0.099 0.000 2.831 101 N HA 0.215 4.955 4.740 -0.000 0.000 0.276 101 N C -1.472 173.947 175.510 -0.151 0.000 1.416 101 N CA -0.724 52.254 53.050 -0.120 0.000 0.799 101 N CB 0.738 38.980 38.487 -0.408 0.000 1.554 101 N HN 0.273 nan 8.380 nan 0.000 0.541 102 Y N -0.019 120.193 120.300 -0.147 0.000 2.397 102 Y HA 0.329 4.879 4.550 0.000 0.000 0.335 102 Y C 1.562 177.442 175.900 -0.033 0.000 1.213 102 Y CA 0.249 58.275 58.100 -0.124 0.000 1.391 102 Y CB 0.496 38.878 38.460 -0.130 0.000 1.293 102 Y HN 0.446 nan 8.280 nan 0.000 0.557 103 G N 0.800 109.702 108.800 0.170 0.000 2.467 103 G HA2 0.319 4.279 3.960 -0.000 0.000 0.257 103 G HA3 0.319 4.279 3.960 -0.000 0.000 0.257 103 G C 0.899 175.975 174.900 0.292 0.000 1.227 103 G CA -0.301 44.946 45.100 0.246 0.000 0.835 103 G HN 0.757 nan 8.290 nan 0.000 0.556 104 V N 1.375 121.446 119.914 0.262 0.000 2.324 104 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 104 V C 2.614 178.792 176.094 0.140 0.000 1.060 104 V CA 1.841 64.231 62.300 0.150 0.000 1.042 104 V CB -1.125 30.732 31.823 0.057 0.000 0.650 104 V HN 0.405 nan 8.190 nan 0.000 0.450 105 V N -0.605 119.409 119.914 0.167 0.000 3.078 105 V HA -0.189 3.931 4.120 -0.000 0.000 0.265 105 V C 2.250 178.431 176.094 0.145 0.000 1.122 105 V CA 1.961 64.338 62.300 0.128 0.000 1.141 105 V CB -1.364 30.541 31.823 0.135 0.000 0.735 105 V HN 0.703 nan 8.190 nan 0.000 0.498 106 Y N 1.204 121.559 120.300 0.092 0.000 2.457 106 Y HA -0.117 4.433 4.550 0.000 0.000 0.292 106 Y C 2.155 178.061 175.900 0.010 0.000 1.125 106 Y CA 1.039 59.188 58.100 0.080 0.000 1.254 106 Y CB -0.101 38.469 38.460 0.184 0.000 1.012 106 Y HN 0.325 nan 8.280 nan 0.000 0.555 107 D N 0.247 120.654 120.400 0.012 0.000 2.172 107 D HA -0.255 4.385 4.640 -0.000 0.000 0.196 107 D C 2.104 178.249 176.300 -0.259 0.000 0.999 107 D CA 1.574 55.520 54.000 -0.090 0.000 0.856 107 D CB -0.311 40.474 40.800 -0.026 0.000 0.934 107 D HN 0.518 nan 8.370 nan 0.000 0.453 108 A N 0.403 123.067 122.820 -0.260 0.000 1.844 108 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 108 A C 2.378 179.729 177.584 -0.389 0.000 1.221 108 A CA 0.316 52.115 52.037 -0.395 0.000 0.607 108 A CB -0.795 18.084 19.000 -0.201 0.000 0.878 108 A HN 0.158 nan 8.150 nan 0.000 0.451 109 L N 0.137 121.191 121.223 -0.281 0.000 2.189 109 L HA -0.189 4.151 4.340 -0.000 0.000 0.214 109 L C 2.667 179.318 176.870 -0.366 0.000 1.097 109 L CA 0.898 55.593 54.840 -0.241 0.000 0.764 109 L CB -0.850 41.139 42.059 -0.115 0.000 0.900 109 L HN 0.532 nan 8.230 nan 0.000 0.436 110 G N -0.876 107.493 108.800 -0.719 0.000 2.475 110 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 110 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 110 G C 1.266 176.142 174.900 -0.040 0.000 1.125 110 G CA 0.543 45.259 45.100 -0.641 0.000 0.755 110 G HN 0.234 nan 8.290 nan 0.000 0.565 111 Y N 1.769 121.984 120.300 -0.142 0.000 2.114 111 Y HA -0.180 4.370 4.550 -0.000 0.000 0.282 111 Y C 3.254 179.224 175.900 0.116 0.000 1.165 111 Y CA 1.535 59.653 58.100 0.029 0.000 1.148 111 Y CB -1.027 37.445 38.460 0.020 0.000 0.972 111 Y HN 0.361 nan 8.280 nan 0.000 0.504 112 T N -3.513 111.168 114.554 0.211 0.000 3.086 112 T HA 0.043 4.393 4.350 -0.000 0.000 0.250 112 T C 0.671 175.427 174.700 0.093 0.000 1.074 112 T CA 0.304 62.502 62.100 0.164 0.000 0.988 112 T CB -0.145 68.797 68.868 0.124 0.000 0.988 112 T HN -0.029 nan 8.240 nan 0.000 0.530 113 D N 1.303 121.736 120.400 0.055 0.000 2.767 113 D HA 0.161 4.801 4.640 -0.000 0.000 0.231 113 D C 0.756 177.062 176.300 0.009 0.000 1.105 113 D CA -0.062 53.971 54.000 0.055 0.000 1.024 113 D CB -0.166 40.694 40.800 0.100 0.000 1.123 113 D HN 0.269 nan 8.370 nan 0.000 0.470 114 M N 0.255 119.846 119.600 -0.015 0.000 2.279 114 M HA 0.132 4.612 4.480 -0.000 0.000 0.299 114 M C 0.547 176.796 176.300 -0.084 0.000 0.970 114 M CA -0.116 55.120 55.300 -0.107 0.000 1.065 114 M CB 0.121 32.584 32.600 -0.228 0.000 1.669 114 M HN 0.074 nan 8.290 nan 0.000 0.582 115 L N 1.744 122.952 121.223 -0.025 0.000 2.492 115 L HA -0.029 4.311 4.340 -0.000 0.000 0.280 115 L C -0.977 175.806 176.870 -0.145 0.000 1.240 115 L CA -0.836 53.984 54.840 -0.034 0.000 0.831 115 L CB -0.480 41.605 42.059 0.043 0.000 1.100 115 L HN -0.052 nan 8.230 nan 0.000 0.505 116 P HA -0.172 nan 4.420 nan 0.000 0.216 116 P C 0.828 177.692 177.300 -0.727 0.000 1.150 116 P CA 1.220 64.015 63.100 -0.508 0.000 0.837 116 P CB 0.383 31.820 31.700 -0.438 0.000 0.786 117 E N -2.858 117.035 120.200 -0.513 0.000 3.203 117 E HA 0.147 4.497 4.350 -0.000 0.000 0.200 117 E C 0.794 177.133 176.600 -0.435 0.000 1.089 117 E CA 0.184 56.253 56.400 -0.552 0.000 1.430 117 E CB -0.421 28.821 29.700 -0.762 0.000 1.328 117 E HN -0.090 nan 8.360 nan 0.000 0.580 118 F N 0.788 120.739 119.950 0.002 0.000 2.415 118 F HA 0.652 5.179 4.527 -0.000 0.000 0.220 118 F C 1.598 177.432 175.800 0.057 0.000 0.876 118 F CA 0.264 58.294 58.000 0.050 0.000 1.067 118 F CB -0.732 38.305 39.000 0.060 0.000 2.152 118 F HN 0.228 nan 8.300 nan 0.000 0.651 119 G N -0.949 108.073 108.800 0.370 0.000 2.796 119 G HA2 0.314 4.274 3.960 -0.000 0.000 0.226 119 G HA3 0.314 4.274 3.960 -0.000 0.000 0.226 119 G C 0.561 175.565 174.900 0.174 0.000 1.381 119 G CA -0.130 45.132 45.100 0.269 0.000 0.867 119 G HN 1.925 nan 8.290 nan 0.000 0.552 120 G N -1.163 107.704 108.800 0.111 0.000 2.305 120 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.287 120 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.287 120 G C 0.639 175.535 174.900 -0.007 0.000 1.036 120 G CA 1.337 46.478 45.100 0.069 0.000 0.887 120 G HN 1.322 nan 8.290 nan 0.000 0.505 121 D N -0.406 119.982 120.400 -0.019 0.000 2.178 121 D HA -0.015 4.625 4.640 -0.000 0.000 0.201 121 D C 2.598 178.651 176.300 -0.411 0.000 0.980 121 D CA 1.887 55.816 54.000 -0.119 0.000 0.842 121 D CB -0.039 40.765 40.800 0.006 0.000 0.948 121 D HN 0.626 nan 8.370 nan 0.000 0.472 122 T N -2.458 111.925 114.554 -0.285 0.000 3.188 122 T HA 0.387 4.737 4.350 -0.000 0.000 0.250 122 T C 0.877 175.445 174.700 -0.219 0.000 1.077 122 T CA -0.234 61.690 62.100 -0.293 0.000 0.967 122 T CB 0.195 69.018 68.868 -0.074 0.000 1.006 122 T HN 0.054 nan 8.240 nan 0.000 0.552 123 A N 1.244 123.931 122.820 -0.223 0.000 3.175 123 A HA 0.580 4.900 4.320 -0.000 0.000 0.289 123 A C -0.491 177.041 177.584 -0.087 0.000 1.429 123 A CA -0.916 51.122 52.037 0.001 0.000 1.155 123 A CB -0.793 18.340 19.000 0.221 0.000 1.169 123 A HN 0.552 nan 8.150 nan 0.000 0.574 124 Y N 0.405 120.723 120.300 0.030 0.000 2.426 124 Y HA 0.235 4.785 4.550 0.000 0.000 0.344 124 Y C 1.266 177.125 175.900 -0.068 0.000 1.256 124 Y CA 0.428 58.516 58.100 -0.021 0.000 1.451 124 Y CB 0.637 39.088 38.460 -0.015 0.000 1.342 124 Y HN 0.420 nan 8.280 nan 0.000 0.600 125 S N 1.419 117.150 115.700 0.050 0.000 2.601 125 S HA 0.058 4.528 4.470 -0.000 0.000 0.271 125 S C -0.178 174.372 174.600 -0.082 0.000 1.305 125 S CA -0.688 57.466 58.200 -0.076 0.000 1.022 125 S CB 0.319 63.443 63.200 -0.128 0.000 0.940 125 S HN 0.769 nan 8.310 nan 0.000 0.525 126 D N 0.981 121.294 120.400 -0.145 0.000 2.737 126 D HA -0.167 4.473 4.640 -0.000 0.000 0.233 126 D C -0.492 175.680 176.300 -0.213 0.000 1.155 126 D CA 0.927 54.817 54.000 -0.184 0.000 0.667 126 D CB -0.766 39.933 40.800 -0.169 0.000 1.060 126 D HN 0.587 nan 8.370 nan 0.000 0.427 127 D N -0.985 119.330 120.400 -0.142 0.000 3.018 127 D HA 0.280 4.920 4.640 -0.000 0.000 0.331 127 D C 0.787 177.078 176.300 -0.014 0.000 1.334 127 D CA -0.606 53.335 54.000 -0.098 0.000 0.900 127 D CB -0.144 40.716 40.800 0.100 0.000 1.059 127 D HN 0.000 nan 8.370 nan 0.000 0.498 128 F N -0.611 119.231 119.950 -0.179 0.000 2.306 128 F HA -0.392 4.135 4.527 0.000 0.000 0.519 128 F C 1.123 176.659 175.800 -0.441 0.000 0.600 128 F CA 1.216 58.974 58.000 -0.403 0.000 0.893 128 F CB -1.362 37.452 39.000 -0.309 0.000 3.425 128 F HN 0.141 nan 8.300 nan 0.000 0.200 129 F N -0.092 119.998 119.950 0.234 0.000 2.721 129 F HA 0.282 4.809 4.527 0.000 0.000 0.301 129 F C 1.653 177.529 175.800 0.127 0.000 1.096 129 F CA 0.646 58.719 58.000 0.122 0.000 1.308 129 F CB -0.045 38.991 39.000 0.059 0.000 1.086 129 F HN 0.173 nan 8.300 nan 0.000 0.587 130 V N -2.660 117.423 119.914 0.282 0.000 3.649 130 V HA 0.628 4.748 4.120 -0.000 0.000 0.275 130 V C 0.783 177.020 176.094 0.237 0.000 1.281 130 V CA 0.826 63.283 62.300 0.262 0.000 1.143 130 V CB -0.557 31.408 31.823 0.237 0.000 0.892 130 V HN 0.137 nan 8.190 nan 0.000 0.441 131 G N -0.274 108.593 108.800 0.112 0.000 2.815 131 G HA2 0.476 4.436 3.960 -0.000 0.000 0.305 131 G HA3 0.476 4.436 3.960 -0.000 0.000 0.305 131 G C -1.209 173.548 174.900 -0.238 0.000 1.277 131 G CA -1.388 43.668 45.100 -0.073 0.000 0.795 131 G HN 0.183 nan 8.290 nan 0.000 0.528 132 R N -0.157 120.064 120.500 -0.465 0.000 2.449 132 R HA 0.425 4.765 4.340 -0.000 0.000 0.296 132 R C -0.106 176.016 176.300 -0.297 0.000 1.047 132 R CA 0.010 55.796 56.100 -0.522 0.000 1.018 132 R CB 0.778 30.692 30.300 -0.643 0.000 0.962 132 R HN 0.529 nan 8.270 nan 0.000 0.428 133 V N -0.627 119.143 119.914 -0.241 0.000 3.040 133 V HA 0.783 4.903 4.120 -0.000 0.000 0.312 133 V C 0.227 176.214 176.094 -0.178 0.000 1.115 133 V CA -1.152 61.029 62.300 -0.199 0.000 0.998 133 V CB 1.981 33.687 31.823 -0.196 0.000 1.042 133 V HN 0.761 nan 8.190 nan 0.000 0.433 134 G N 0.140 108.844 108.800 -0.161 0.000 2.400 134 G HA2 0.586 4.546 3.960 -0.000 0.000 0.301 134 G HA3 0.586 4.546 3.960 -0.000 0.000 0.301 134 G C 0.772 175.583 174.900 -0.148 0.000 1.154 134 G CA -0.172 44.841 45.100 -0.145 0.000 0.852 134 G HN 2.443 nan 8.290 nan 0.000 0.511 135 G N -0.899 107.766 108.800 -0.226 0.000 2.351 135 G HA2 0.135 4.095 3.960 -0.000 0.000 0.297 135 G HA3 0.135 4.095 3.960 -0.000 0.000 0.297 135 G C 0.046 174.873 174.900 -0.120 0.000 1.054 135 G CA 0.291 45.247 45.100 -0.240 0.000 1.123 135 G HN 1.909 nan 8.290 nan 0.000 0.512 136 V N -2.073 117.696 119.914 -0.242 0.000 2.448 136 V HA 0.929 5.049 4.120 -0.000 0.000 0.295 136 V C 0.404 176.527 176.094 0.048 0.000 1.025 136 V CA -0.790 61.504 62.300 -0.010 0.000 0.859 136 V CB 1.733 33.545 31.823 -0.019 0.000 0.988 136 V HN 1.721 nan 8.190 nan 0.000 0.431 137 A N 3.554 126.568 122.820 0.323 0.000 2.276 137 A HA 0.750 5.070 4.320 -0.000 0.000 0.300 137 A C 0.375 178.092 177.584 0.221 0.000 1.235 137 A CA -0.311 51.912 52.037 0.310 0.000 0.867 137 A CB 0.265 19.578 19.000 0.521 0.000 1.137 137 A HN 0.985 nan 8.150 nan 0.000 0.527 138 T N 2.771 117.300 114.554 -0.040 0.000 2.791 138 T HA 0.409 4.759 4.350 -0.000 0.000 0.288 138 T C -0.988 173.787 174.700 0.125 0.000 0.999 138 T CA -0.070 62.059 62.100 0.047 0.000 0.952 138 T CB 0.474 69.301 68.868 -0.067 0.000 0.938 138 T HN 0.506 nan 8.240 nan 0.000 0.444 139 Y N 3.727 124.140 120.300 0.188 0.000 2.330 139 Y HA 0.637 5.187 4.550 -0.000 0.000 0.336 139 Y C -0.074 175.819 175.900 -0.012 0.000 1.036 139 Y CA -1.081 57.136 58.100 0.196 0.000 1.125 139 Y CB 0.789 39.423 38.460 0.290 0.000 1.194 139 Y HN 0.520 nan 8.280 nan 0.000 0.469 140 R N 4.663 124.648 120.500 -0.859 0.000 2.750 140 R HA 0.387 4.727 4.340 -0.000 0.000 0.281 140 R C -1.427 174.172 176.300 -1.168 0.000 0.972 140 R CA -1.111 54.471 56.100 -0.863 0.000 0.912 140 R CB 1.979 32.029 30.300 -0.416 0.000 1.187 140 R HN 0.729 nan 8.270 nan 0.000 0.464 141 N N 0.629 118.665 118.700 -1.107 0.000 2.352 141 N HA 0.221 4.961 4.740 -0.000 0.000 0.291 141 N C -1.503 173.702 175.510 -0.508 0.000 1.040 141 N CA -0.214 52.280 53.050 -0.926 0.000 0.864 141 N CB 2.136 39.817 38.487 -1.343 0.000 1.440 141 N HN 0.395 nan 8.380 nan 0.000 0.483 142 S N 2.159 117.672 115.700 -0.311 0.000 2.462 142 S HA 0.299 4.769 4.470 -0.000 0.000 0.294 142 S C -0.093 174.479 174.600 -0.046 0.000 1.144 142 S CA -0.513 57.603 58.200 -0.141 0.000 1.088 142 S CB 0.490 63.626 63.200 -0.107 0.000 1.009 142 S HN 0.697 nan 8.310 nan 0.000 0.484 143 N N 1.934 120.663 118.700 0.048 0.000 2.714 143 N HA -0.217 4.523 4.740 -0.000 0.000 0.253 143 N C -0.154 175.509 175.510 0.255 0.000 1.024 143 N CA 0.445 53.582 53.050 0.144 0.000 0.726 143 N CB -1.631 36.919 38.487 0.104 0.000 0.908 143 N HN 0.823 nan 8.380 nan 0.000 0.542 144 F N 0.184 120.200 119.950 0.111 0.000 2.667 144 F HA -0.347 4.180 4.527 0.000 0.000 0.195 144 F C 0.111 176.082 175.800 0.286 0.000 1.054 144 F CA 1.459 59.564 58.000 0.175 0.000 0.827 144 F CB -1.418 37.736 39.000 0.256 0.000 0.671 144 F HN 0.341 nan 8.300 nan 0.000 0.845 145 F N -0.626 119.360 119.950 0.060 0.000 2.795 145 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 145 F C 1.463 177.309 175.800 0.077 0.000 0.699 145 F CA 0.989 59.005 58.000 0.026 0.000 1.384 145 F CB -1.585 37.395 39.000 -0.033 0.000 1.672 145 F HN 0.838 nan 8.300 nan 0.000 0.345 146 G N -0.360 108.563 108.800 0.204 0.000 2.184 146 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.264 146 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.264 146 G C 0.887 175.906 174.900 0.197 0.000 0.975 146 G CA 0.387 45.584 45.100 0.161 0.000 0.642 146 G HN 0.535 nan 8.290 nan 0.000 0.536 147 L N -0.749 120.652 121.223 0.297 0.000 2.202 147 L HA 0.251 4.591 4.340 -0.000 0.000 0.205 147 L C 0.799 177.806 176.870 0.228 0.000 1.083 147 L CA 0.818 55.825 54.840 0.277 0.000 0.790 147 L CB 0.096 42.388 42.059 0.389 0.000 0.942 147 L HN 0.150 nan 8.230 nan 0.000 0.452 148 V N -0.168 119.910 119.914 0.273 0.000 2.483 148 V HA 0.266 4.386 4.120 -0.000 0.000 0.297 148 V C -0.902 175.322 176.094 0.217 0.000 1.027 148 V CA -0.980 61.450 62.300 0.216 0.000 0.855 148 V CB 1.831 33.769 31.823 0.192 0.000 0.995 148 V HN -0.027 nan 8.190 nan 0.000 0.424 149 D N 3.407 123.916 120.400 0.181 0.000 2.390 149 D HA 0.455 5.095 4.640 -0.000 0.000 0.249 149 D C 1.216 177.579 176.300 0.105 0.000 1.144 149 D CA 1.764 55.845 54.000 0.135 0.000 0.880 149 D CB 1.485 42.355 40.800 0.117 0.000 1.182 149 D HN 0.996 nan 8.370 nan 0.000 0.451 150 G N 2.015 110.817 108.800 0.003 0.000 2.179 150 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 150 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 150 G C 0.170 174.994 174.900 -0.127 0.000 0.977 150 G CA 0.182 45.170 45.100 -0.186 0.000 0.641 150 G HN 0.475 nan 8.290 nan 0.000 0.533 151 L N 1.985 123.305 121.223 0.162 0.000 2.264 151 L HA 0.653 4.993 4.340 -0.000 0.000 0.287 151 L C -0.565 176.464 176.870 0.265 0.000 1.039 151 L CA -1.068 53.972 54.840 0.333 0.000 0.829 151 L CB 0.610 42.920 42.059 0.418 0.000 1.211 151 L HN 0.181 nan 8.230 nan 0.000 0.427 152 N N 5.230 124.060 118.700 0.216 0.000 2.269 152 N HA 0.584 5.324 4.740 -0.000 0.000 0.304 152 N C -1.046 174.610 175.510 0.242 0.000 1.072 152 N CA -0.247 52.890 53.050 0.145 0.000 0.802 152 N CB 2.195 40.692 38.487 0.017 0.000 1.348 152 N HN 0.474 nan 8.380 nan 0.000 0.484 153 F N -0.838 119.108 119.950 -0.007 0.000 2.650 153 F HA 0.940 5.467 4.527 -0.000 0.000 0.320 153 F C -1.330 174.441 175.800 -0.049 0.000 1.091 153 F CA -1.346 56.660 58.000 0.011 0.000 0.962 153 F CB 1.335 40.379 39.000 0.074 0.000 1.363 153 F HN 0.507 nan 8.300 nan 0.000 0.482 154 A N 1.409 124.230 122.820 0.002 0.000 2.513 154 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 154 A C -2.160 175.496 177.584 0.119 0.000 1.052 154 A CA -0.523 51.452 52.037 -0.102 0.000 0.714 154 A CB 1.252 20.183 19.000 -0.114 0.000 1.279 154 A HN 1.640 nan 8.150 nan 0.000 0.397 155 V N 2.057 122.089 119.914 0.197 0.000 2.581 155 V HA 0.823 4.943 4.120 -0.000 0.000 0.303 155 V C -0.468 175.704 176.094 0.131 0.000 1.041 155 V CA -0.267 62.133 62.300 0.166 0.000 0.907 155 V CB 1.612 33.575 31.823 0.233 0.000 0.994 155 V HN 1.031 nan 8.190 nan 0.000 0.442 156 Q N 4.396 124.184 119.800 -0.021 0.000 2.289 156 Q HA 0.474 4.814 4.340 -0.000 0.000 0.270 156 Q C -2.241 173.751 176.000 -0.013 0.000 1.038 156 Q CA -0.636 55.220 55.803 0.088 0.000 0.812 156 Q CB 2.319 31.149 28.738 0.153 0.000 1.300 156 Q HN 0.823 nan 8.270 nan 0.000 0.427 157 Y N 2.519 122.975 120.300 0.260 0.000 2.331 157 Y HA 0.429 4.979 4.550 -0.000 0.000 0.338 157 Y C -0.438 175.612 175.900 0.250 0.000 0.992 157 Y CA -0.958 57.298 58.100 0.260 0.000 1.121 157 Y CB 1.441 40.035 38.460 0.225 0.000 1.184 157 Y HN 0.485 nan 8.280 nan 0.000 0.469 158 L N 4.053 125.491 121.223 0.359 0.000 2.276 158 L HA 0.662 5.002 4.340 -0.000 0.000 0.286 158 L C 0.435 177.404 176.870 0.165 0.000 1.024 158 L CA -0.209 54.744 54.840 0.187 0.000 0.826 158 L CB 0.418 42.465 42.059 -0.020 0.000 1.211 158 L HN 0.744 nan 8.230 nan 0.000 0.422 159 G N 3.657 112.554 108.800 0.162 0.000 2.554 159 G HA2 0.082 4.042 3.960 -0.000 0.000 0.238 159 G HA3 0.082 4.042 3.960 -0.000 0.000 0.238 159 G C -0.408 174.538 174.900 0.076 0.000 1.259 159 G CA -0.581 44.605 45.100 0.142 0.000 0.843 159 G HN 0.859 nan 8.290 nan 0.000 0.582 160 K N 1.101 121.544 120.400 0.072 0.000 2.447 160 K HA 0.027 4.347 4.320 -0.000 0.000 0.281 160 K C -0.588 176.021 176.600 0.015 0.000 1.031 160 K CA 0.025 56.337 56.287 0.041 0.000 1.019 160 K CB 0.197 32.724 32.500 0.046 0.000 0.918 160 K HN 0.379 nan 8.250 nan 0.000 0.476 161 N N 4.681 123.369 118.700 -0.020 0.000 2.682 161 N HA 0.092 4.832 4.740 -0.000 0.000 0.252 161 N C -1.480 174.002 175.510 -0.047 0.000 1.081 161 N CA -0.418 52.607 53.050 -0.040 0.000 0.844 161 N CB 1.567 40.006 38.487 -0.080 0.000 1.167 161 N HN 0.611 nan 8.380 nan 0.000 0.523 162 E N 2.031 122.217 120.200 -0.024 0.000 1.924 162 E HA 0.190 4.540 4.350 -0.000 0.000 0.261 162 E C 0.198 176.784 176.600 -0.023 0.000 1.088 162 E CA -0.192 56.196 56.400 -0.020 0.000 0.909 162 E CB 1.078 30.775 29.700 -0.005 0.000 1.112 162 E HN 0.253 nan 8.360 nan 0.000 0.425 163 R N 1.046 121.524 120.500 -0.036 0.000 2.519 163 R HA 0.185 4.525 4.340 -0.000 0.000 0.244 163 R C 0.688 176.972 176.300 -0.027 0.000 1.241 163 R CA -0.792 55.287 56.100 -0.035 0.000 1.120 163 R CB 0.524 30.793 30.300 -0.052 0.000 1.333 163 R HN 0.269 nan 8.270 nan 0.000 0.587 164 D N 0.402 120.785 120.400 -0.029 0.000 2.149 164 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 164 D C 0.236 176.521 176.300 -0.025 0.000 0.972 164 D CA 1.383 55.369 54.000 -0.024 0.000 0.835 164 D CB 0.014 40.798 40.800 -0.025 0.000 0.966 164 D HN 0.362 nan 8.370 nan 0.000 0.476 165 T N 0.070 114.603 114.554 -0.035 0.000 2.922 165 T HA 0.429 4.779 4.350 -0.000 0.000 0.285 165 T C 1.211 175.898 174.700 -0.020 0.000 1.005 165 T CA -0.272 61.806 62.100 -0.038 0.000 1.061 165 T CB 2.053 70.886 68.868 -0.058 0.000 1.007 165 T HN -0.043 nan 8.240 nan 0.000 0.502 166 A N 2.044 124.862 122.820 -0.004 0.000 1.929 166 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 166 A C 2.210 179.853 177.584 0.098 0.000 1.176 166 A CA 1.156 53.232 52.037 0.066 0.000 0.628 166 A CB -0.450 18.603 19.000 0.088 0.000 0.816 166 A HN 0.669 nan 8.150 nan 0.000 0.444 167 R N 0.019 120.497 120.500 -0.036 0.000 2.120 167 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 167 R C 1.307 177.565 176.300 -0.070 0.000 1.123 167 R CA 1.434 57.474 56.100 -0.100 0.000 0.975 167 R CB -0.207 29.985 30.300 -0.180 0.000 0.866 167 R HN 0.306 nan 8.270 nan 0.000 0.446 168 R N 0.006 120.456 120.500 -0.084 0.000 2.468 168 R HA 0.325 4.665 4.340 -0.000 0.000 0.280 168 R C -0.153 176.056 176.300 -0.151 0.000 0.963 168 R CA 0.003 56.028 56.100 -0.124 0.000 1.083 168 R CB 0.553 30.789 30.300 -0.106 0.000 1.200 168 R HN 0.063 nan 8.270 nan 0.000 0.541 169 S N 1.844 117.459 115.700 -0.141 0.000 2.758 169 S HA 0.507 4.977 4.470 -0.000 0.000 0.292 169 S C -0.059 174.351 174.600 -0.317 0.000 1.131 169 S CA -0.668 57.437 58.200 -0.158 0.000 0.997 169 S CB 1.622 64.781 63.200 -0.068 0.000 1.111 169 S HN 0.469 nan 8.310 nan 0.000 0.552 170 N N -0.593 117.972 118.700 -0.225 0.000 3.997 170 N HA 0.160 4.900 4.740 -0.000 0.000 0.209 170 N C -0.578 174.930 175.510 -0.005 0.000 1.108 170 N CA -0.736 52.185 53.050 -0.215 0.000 1.020 170 N CB 0.446 38.631 38.487 -0.503 0.000 1.628 170 N HN 0.655 nan 8.380 nan 0.000 0.588 171 G N 0.298 109.173 108.800 0.124 0.000 2.509 171 G HA2 0.290 4.250 3.960 -0.000 0.000 0.269 171 G HA3 0.290 4.250 3.960 -0.000 0.000 0.269 171 G C -0.522 174.441 174.900 0.104 0.000 1.416 171 G CA -0.358 44.797 45.100 0.092 0.000 1.052 171 G HN 0.668 nan 8.290 nan 0.000 0.542 172 D N -0.136 120.324 120.400 0.101 0.000 2.345 172 D HA 0.505 5.145 4.640 -0.000 0.000 0.247 172 D C 0.359 176.753 176.300 0.156 0.000 1.108 172 D CA 0.645 54.722 54.000 0.128 0.000 0.894 172 D CB 1.487 42.361 40.800 0.123 0.000 1.203 172 D HN 0.587 nan 8.370 nan 0.000 0.430 173 G N -0.210 108.721 108.800 0.217 0.000 2.673 173 G HA2 0.487 4.447 3.960 -0.000 0.000 0.292 173 G HA3 0.487 4.447 3.960 -0.000 0.000 0.292 173 G C -1.233 173.892 174.900 0.376 0.000 1.450 173 G CA -0.450 44.828 45.100 0.297 0.000 0.837 173 G HN 0.321 nan 8.290 nan 0.000 0.505 174 V N -0.550 119.504 119.914 0.232 0.000 3.019 174 V HA 1.034 5.154 4.120 -0.000 0.000 0.317 174 V C 0.766 176.708 176.094 -0.253 0.000 1.094 174 V CA 0.275 62.576 62.300 0.001 0.000 1.000 174 V CB 1.885 33.639 31.823 -0.116 0.000 1.060 174 V HN 1.593 nan 8.190 nan 0.000 0.443 175 G N -0.502 108.083 108.800 -0.358 0.000 2.576 175 G HA2 0.728 4.688 3.960 -0.000 0.000 0.290 175 G HA3 0.728 4.688 3.960 -0.000 0.000 0.290 175 G C -0.839 173.932 174.900 -0.216 0.000 1.442 175 G CA 0.089 44.878 45.100 -0.518 0.000 0.792 175 G HN 1.199 nan 8.290 nan 0.000 0.491 176 G N -1.243 107.488 108.800 -0.115 0.000 2.600 176 G HA2 0.903 4.863 3.960 -0.000 0.000 0.293 176 G HA3 0.903 4.863 3.960 -0.000 0.000 0.293 176 G C -0.827 174.106 174.900 0.055 0.000 1.408 176 G CA 0.445 45.555 45.100 0.018 0.000 0.782 176 G HN 1.974 nan 8.290 nan 0.000 0.482 177 S N -1.081 114.681 115.700 0.104 0.000 2.543 177 S HA 0.672 5.142 4.470 -0.000 0.000 0.273 177 S C -1.272 173.421 174.600 0.155 0.000 1.152 177 S CA -0.733 57.528 58.200 0.100 0.000 0.910 177 S CB 1.334 64.568 63.200 0.057 0.000 1.105 177 S HN 0.759 nan 8.310 nan 0.000 0.465 178 I N 3.016 123.671 120.570 0.142 0.000 2.418 178 I HA 0.569 4.739 4.170 -0.000 0.000 0.287 178 I C -0.163 176.042 176.117 0.147 0.000 1.008 178 I CA -0.525 60.883 61.300 0.180 0.000 1.104 178 I CB 2.076 40.167 38.000 0.152 0.000 1.264 178 I HN 0.858 nan 8.210 nan 0.000 0.438 179 S N 6.176 121.976 115.700 0.166 0.000 2.532 179 S HA 0.568 5.038 4.470 -0.000 0.000 0.299 179 S C -1.298 173.442 174.600 0.233 0.000 1.105 179 S CA -0.634 57.667 58.200 0.168 0.000 1.018 179 S CB 1.628 64.898 63.200 0.116 0.000 1.021 179 S HN 0.520 nan 8.310 nan 0.000 0.483 180 Y N 1.940 122.318 120.300 0.130 0.000 2.364 180 Y HA 0.575 5.125 4.550 -0.000 0.000 0.340 180 Y C -0.666 175.333 175.900 0.165 0.000 0.975 180 Y CA -0.523 57.657 58.100 0.134 0.000 1.089 180 Y CB 1.559 40.082 38.460 0.106 0.000 1.192 180 Y HN 0.829 nan 8.280 nan 0.000 0.454 181 E N 5.967 125.898 120.200 -0.449 0.000 2.224 181 E HA 0.196 4.546 4.350 -0.000 0.000 0.265 181 E C -2.140 174.246 176.600 -0.357 0.000 0.878 181 E CA -0.988 55.274 56.400 -0.230 0.000 0.759 181 E CB 2.562 32.198 29.700 -0.105 0.000 1.164 181 E HN 0.611 nan 8.360 nan 0.000 0.414 182 Y N 2.761 122.962 120.300 -0.165 0.000 2.445 182 Y HA 0.145 4.695 4.550 -0.000 0.000 0.332 182 Y C -0.618 175.362 175.900 0.133 0.000 1.037 182 Y CA -0.602 57.476 58.100 -0.037 0.000 1.296 182 Y CB 0.629 39.184 38.460 0.159 0.000 1.099 182 Y HN 0.754 nan 8.280 nan 0.000 0.496 183 E N 4.797 124.786 120.200 -0.351 0.000 2.689 183 E HA -0.201 4.149 4.350 -0.000 0.000 0.165 183 E C 0.938 177.537 176.600 -0.001 0.000 1.609 183 E CA 1.109 57.324 56.400 -0.307 0.000 0.674 183 E CB -1.082 28.239 29.700 -0.633 0.000 1.103 183 E HN 1.483 nan 8.360 nan 0.000 0.373 184 G N 1.633 110.349 108.800 -0.140 0.000 2.304 184 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.252 184 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.252 184 G C 0.065 174.692 174.900 -0.455 0.000 1.014 184 G CA 0.475 45.339 45.100 -0.393 0.000 0.619 184 G HN 0.408 nan 8.290 nan 0.000 0.525 185 F N 0.889 120.839 119.950 -0.000 0.000 2.470 185 F HA 0.664 5.191 4.527 -0.000 0.000 0.329 185 F C 0.830 176.650 175.800 0.033 0.000 1.072 185 F CA 0.029 58.078 58.000 0.082 0.000 0.989 185 F CB 2.339 41.459 39.000 0.199 0.000 1.193 185 F HN 0.328 nan 8.300 nan 0.000 0.481 186 G N 2.586 111.522 108.800 0.227 0.000 2.753 186 G HA2 0.590 4.550 3.960 -0.000 0.000 0.295 186 G HA3 0.590 4.550 3.960 -0.000 0.000 0.295 186 G C -2.143 172.979 174.900 0.369 0.000 1.437 186 G CA -0.457 44.776 45.100 0.222 0.000 1.094 186 G HN 0.683 nan 8.290 nan 0.000 0.540 187 I N 2.204 122.993 120.570 0.366 0.000 2.509 187 I HA 0.719 4.889 4.170 -0.000 0.000 0.293 187 I C -0.954 175.298 176.117 0.225 0.000 1.020 187 I CA -1.026 60.461 61.300 0.311 0.000 1.088 187 I CB 2.113 40.260 38.000 0.246 0.000 1.267 187 I HN 0.270 nan 8.210 nan 0.000 0.430 188 V N 5.458 125.426 119.914 0.089 0.000 2.841 188 V HA 0.782 4.902 4.120 -0.000 0.000 0.310 188 V C 0.008 176.102 176.094 -0.001 0.000 1.090 188 V CA -0.568 61.714 62.300 -0.031 0.000 0.930 188 V CB 1.679 33.304 31.823 -0.330 0.000 1.014 188 V HN 0.863 nan 8.190 nan 0.000 0.425 189 G N 1.701 110.526 108.800 0.042 0.000 2.643 189 G HA2 0.839 4.799 3.960 -0.000 0.000 0.305 189 G HA3 0.839 4.799 3.960 -0.000 0.000 0.305 189 G C -0.955 174.001 174.900 0.093 0.000 1.387 189 G CA -0.234 44.919 45.100 0.087 0.000 0.982 189 G HN 1.246 nan 8.290 nan 0.000 0.501 190 A N 1.425 124.330 122.820 0.141 0.000 2.486 190 A HA 0.865 5.185 4.320 -0.000 0.000 0.300 190 A C -1.884 175.843 177.584 0.238 0.000 1.048 190 A CA -0.724 51.393 52.037 0.132 0.000 0.696 190 A CB 1.877 20.916 19.000 0.067 0.000 1.278 190 A HN 1.454 nan 8.150 nan 0.000 0.405 191 Y N 0.334 120.636 120.300 0.004 0.000 2.581 191 Y HA 0.643 5.193 4.550 0.000 0.000 0.337 191 Y C -0.166 175.595 175.900 -0.231 0.000 1.108 191 Y CA 0.169 58.263 58.100 -0.010 0.000 1.033 191 Y CB 2.040 40.502 38.460 0.004 0.000 1.318 191 Y HN 1.366 nan 8.280 nan 0.000 0.459 192 G N 1.858 109.946 108.800 -1.188 0.000 2.732 192 G HA2 0.721 4.681 3.960 -0.000 0.000 0.296 192 G HA3 0.721 4.681 3.960 -0.000 0.000 0.296 192 G C -2.299 172.053 174.900 -0.915 0.000 1.448 192 G CA -0.268 44.072 45.100 -1.266 0.000 0.911 192 G HN 1.093 nan 8.290 nan 0.000 0.528 193 A N -0.255 122.322 122.820 -0.405 0.000 2.475 193 A HA 1.089 5.409 4.320 -0.000 0.000 0.301 193 A C -0.244 177.418 177.584 0.129 0.000 1.059 193 A CA -0.019 51.955 52.037 -0.105 0.000 0.710 193 A CB 1.842 20.807 19.000 -0.058 0.000 1.288 193 A HN 2.474 nan 8.150 nan 0.000 0.408 194 A N 1.106 123.920 122.820 -0.010 0.000 2.587 194 A HA 0.705 5.025 4.320 -0.000 0.000 0.293 194 A C -1.444 176.103 177.584 -0.062 0.000 1.087 194 A CA -0.686 51.362 52.037 0.019 0.000 0.692 194 A CB 0.932 19.965 19.000 0.056 0.000 1.291 194 A HN 0.704 nan 8.150 nan 0.000 0.407 195 D N 1.247 121.664 120.400 0.028 0.000 2.414 195 D HA 0.306 4.946 4.640 -0.000 0.000 0.242 195 D C 0.074 176.403 176.300 0.048 0.000 1.129 195 D CA 0.482 54.495 54.000 0.022 0.000 0.885 195 D CB 0.643 41.471 40.800 0.046 0.000 1.198 195 D HN 0.417 nan 8.370 nan 0.000 0.437 196 R N 0.558 121.063 120.500 0.007 0.000 2.404 196 R HA 0.332 4.672 4.340 -0.000 0.000 0.291 196 R C 0.555 176.872 176.300 0.027 0.000 1.025 196 R CA -0.659 55.458 56.100 0.029 0.000 0.991 196 R CB 0.794 31.058 30.300 -0.060 0.000 1.053 196 R HN 0.428 nan 8.270 nan 0.000 0.479 197 T N -0.530 114.043 114.554 0.032 0.000 2.766 197 T HA 0.042 4.392 4.350 -0.000 0.000 0.295 197 T C 1.119 175.832 174.700 0.022 0.000 1.024 197 T CA -0.784 61.330 62.100 0.023 0.000 1.018 197 T CB 0.594 69.471 68.868 0.015 0.000 1.002 197 T HN 0.413 nan 8.240 nan 0.000 0.532 198 N N 0.106 118.819 118.700 0.021 0.000 2.069 198 N HA -0.099 4.641 4.740 -0.000 0.000 0.191 198 N C 1.686 177.214 175.510 0.029 0.000 1.031 198 N CA 0.748 53.811 53.050 0.022 0.000 0.852 198 N CB -0.827 37.670 38.487 0.018 0.000 1.018 198 N HN 0.520 nan 8.380 nan 0.000 0.423 199 L N 1.803 123.044 121.223 0.030 0.000 2.127 199 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 199 L C 2.061 178.973 176.870 0.070 0.000 1.089 199 L CA 1.605 56.468 54.840 0.038 0.000 0.757 199 L CB -0.674 41.402 42.059 0.028 0.000 0.899 199 L HN 0.191 nan 8.230 nan 0.000 0.434 200 Q N -0.876 118.973 119.800 0.082 0.000 2.123 200 Q HA -0.165 4.175 4.340 -0.000 0.000 0.199 200 Q C 1.993 178.065 176.000 0.120 0.000 0.966 200 Q CA 1.647 57.538 55.803 0.147 0.000 0.845 200 Q CB -0.029 28.741 28.738 0.055 0.000 0.907 200 Q HN 0.643 nan 8.270 nan 0.000 0.439 201 E N 0.322 120.557 120.200 0.058 0.000 2.208 201 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 201 E C 1.588 178.220 176.600 0.054 0.000 0.988 201 E CA 0.647 57.075 56.400 0.047 0.000 0.828 201 E CB 0.031 29.745 29.700 0.024 0.000 0.763 201 E HN 0.251 nan 8.360 nan 0.000 0.478 202 A N 1.308 124.159 122.820 0.052 0.000 2.239 202 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 202 A C 0.964 178.576 177.584 0.046 0.000 1.171 202 A CA 0.408 52.470 52.037 0.041 0.000 0.768 202 A CB -0.006 19.013 19.000 0.032 0.000 0.790 202 A HN 0.056 nan 8.150 nan 0.000 0.478 203 Q N -0.487 119.355 119.800 0.071 0.000 2.354 203 Q HA 0.209 4.549 4.340 -0.000 0.000 0.244 203 Q C -1.690 174.341 176.000 0.053 0.000 0.969 203 Q CA -1.738 54.104 55.803 0.065 0.000 0.885 203 Q CB 0.258 29.060 28.738 0.107 0.000 1.241 203 Q HN 0.146 nan 8.270 nan 0.000 0.461 204 P HA -0.010 nan 4.420 nan 0.000 0.217 204 P C -0.017 177.302 177.300 0.032 0.000 1.151 204 P CA 1.014 64.129 63.100 0.025 0.000 0.828 204 P CB 0.335 32.042 31.700 0.012 0.000 0.788 205 L N -0.509 120.732 121.223 0.031 0.000 2.289 205 L HA 0.620 4.960 4.340 -0.000 0.000 0.285 205 L C 0.493 177.419 176.870 0.094 0.000 1.049 205 L CA -0.369 54.493 54.840 0.038 0.000 0.804 205 L CB 0.787 42.845 42.059 -0.002 0.000 1.195 205 L HN 0.121 nan 8.230 nan 0.000 0.428 206 G N 2.290 111.147 108.800 0.094 0.000 2.907 206 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 206 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 206 G C -1.433 173.517 174.900 0.084 0.000 1.115 206 G CA -0.896 44.279 45.100 0.124 0.000 0.760 206 G HN 0.638 nan 8.290 nan 0.000 0.620 207 N N 0.671 119.404 118.700 0.055 0.000 2.454 207 N HA 0.856 5.596 4.740 -0.000 0.000 0.291 207 N C 0.154 175.673 175.510 0.015 0.000 1.079 207 N CA 1.105 54.175 53.050 0.034 0.000 0.893 207 N CB 1.819 40.324 38.487 0.031 0.000 1.512 207 N HN 2.184 nan 8.380 nan 0.000 0.497 208 G N 1.646 110.448 108.800 0.003 0.000 2.352 208 G HA2 0.112 4.072 3.960 -0.000 0.000 0.302 208 G HA3 0.112 4.072 3.960 -0.000 0.000 0.302 208 G C -0.600 174.286 174.900 -0.024 0.000 1.370 208 G CA -0.588 44.505 45.100 -0.011 0.000 0.918 208 G HN 0.414 nan 8.290 nan 0.000 0.610 209 K N -0.793 119.592 120.400 -0.025 0.000 2.373 209 K HA 0.266 4.586 4.320 -0.000 0.000 0.200 209 K C 0.292 176.865 176.600 -0.046 0.000 1.054 209 K CA 0.126 56.398 56.287 -0.025 0.000 1.065 209 K CB 0.898 33.393 32.500 -0.007 0.000 0.886 209 K HN 0.203 nan 8.250 nan 0.000 0.546 210 K N 1.201 121.562 120.400 -0.066 0.000 2.378 210 K HA 0.487 4.807 4.320 -0.000 0.000 0.252 210 K C -1.676 174.822 176.600 -0.170 0.000 0.931 210 K CA -0.442 55.790 56.287 -0.092 0.000 0.794 210 K CB 1.960 34.435 32.500 -0.041 0.000 1.181 210 K HN 0.052 nan 8.250 nan 0.000 0.425 211 A N 3.456 126.095 122.820 -0.302 0.000 2.317 211 A HA 0.637 4.957 4.320 -0.000 0.000 0.327 211 A C -1.100 176.274 177.584 -0.350 0.000 1.178 211 A CA -0.511 51.244 52.037 -0.470 0.000 0.817 211 A CB 0.640 18.974 19.000 -1.111 0.000 1.189 211 A HN 0.767 nan 8.150 nan 0.000 0.489 212 E N 0.998 121.055 120.200 -0.238 0.000 2.272 212 E HA 0.496 4.846 4.350 -0.000 0.000 0.269 212 E C -1.485 175.043 176.600 -0.120 0.000 0.877 212 E CA -0.525 55.776 56.400 -0.167 0.000 0.755 212 E CB 2.325 32.031 29.700 0.010 0.000 1.192 212 E HN 0.688 nan 8.360 nan 0.000 0.422 213 Q N 3.001 122.701 119.800 -0.167 0.000 2.263 213 Q HA 0.363 4.703 4.340 -0.000 0.000 0.266 213 Q C -1.450 174.537 176.000 -0.021 0.000 1.002 213 Q CA -0.813 54.946 55.803 -0.073 0.000 0.790 213 Q CB 2.069 30.824 28.738 0.028 0.000 1.272 213 Q HN 0.557 nan 8.270 nan 0.000 0.435 214 W N 1.458 122.747 121.300 -0.019 0.000 3.022 214 W HA 0.908 5.568 4.660 0.000 0.000 0.335 214 W C -1.870 174.672 176.519 0.038 0.000 1.133 214 W CA -1.092 56.297 57.345 0.073 0.000 1.219 214 W CB 1.077 30.712 29.460 0.293 0.000 1.409 214 W HN 0.690 nan 8.180 nan 0.000 0.507 215 A N 2.432 125.383 122.820 0.218 0.000 2.517 215 A HA 0.724 5.044 4.320 -0.000 0.000 0.297 215 A C -0.708 176.989 177.584 0.188 0.000 1.050 215 A CA -0.544 51.503 52.037 0.017 0.000 0.694 215 A CB 1.470 20.404 19.000 -0.111 0.000 1.277 215 A HN 0.753 nan 8.150 nan 0.000 0.400 216 T N -0.521 114.164 114.554 0.218 0.000 2.856 216 T HA 0.834 5.184 4.350 -0.000 0.000 0.283 216 T C 0.088 174.837 174.700 0.083 0.000 1.008 216 T CA -0.150 62.062 62.100 0.185 0.000 0.997 216 T CB 1.852 70.900 68.868 0.301 0.000 0.992 216 T HN 1.740 nan 8.240 nan 0.000 0.454 217 G N 1.214 110.004 108.800 -0.016 0.000 2.571 217 G HA2 0.681 4.641 3.960 -0.000 0.000 0.304 217 G HA3 0.681 4.641 3.960 -0.000 0.000 0.304 217 G C -1.844 173.184 174.900 0.213 0.000 1.314 217 G CA -0.911 44.181 45.100 -0.014 0.000 0.975 217 G HN 0.902 nan 8.290 nan 0.000 0.485 218 L N 1.198 122.638 121.223 0.362 0.000 2.438 218 L HA 0.705 5.045 4.340 -0.000 0.000 0.270 218 L C -0.681 176.330 176.870 0.235 0.000 0.972 218 L CA -0.832 54.204 54.840 0.327 0.000 0.831 218 L CB 2.204 44.392 42.059 0.215 0.000 1.273 218 L HN 0.781 nan 8.230 nan 0.000 0.405 219 K N 2.866 123.320 120.400 0.091 0.000 2.527 219 K HA 0.441 4.761 4.320 -0.000 0.000 0.260 219 K C -1.981 174.473 176.600 -0.244 0.000 0.937 219 K CA -0.865 55.278 56.287 -0.240 0.000 0.826 219 K CB 2.176 34.234 32.500 -0.736 0.000 1.359 219 K HN 0.342 nan 8.250 nan 0.000 0.434 220 Y N 1.923 121.912 120.300 -0.518 0.000 2.345 220 Y HA 0.373 4.923 4.550 -0.000 0.000 0.331 220 Y C -1.571 173.951 175.900 -0.630 0.000 0.959 220 Y CA -0.812 56.880 58.100 -0.680 0.000 1.204 220 Y CB 1.606 39.644 38.460 -0.703 0.000 1.135 220 Y HN 0.839 nan 8.280 nan 0.000 0.477 221 D N 5.277 125.020 120.400 -1.095 0.000 2.454 221 D HA 0.708 5.348 4.640 -0.000 0.000 0.247 221 D C -1.475 174.343 176.300 -0.804 0.000 1.129 221 D CA 0.050 53.577 54.000 -0.787 0.000 0.877 221 D CB 0.787 41.316 40.800 -0.452 0.000 1.082 221 D HN 0.842 nan 8.370 nan 0.000 0.537 222 A N 3.352 125.716 122.820 -0.759 0.000 2.583 222 A HA 0.451 4.771 4.320 -0.000 0.000 0.300 222 A C -0.080 177.334 177.584 -0.283 0.000 0.966 222 A CA -0.485 51.251 52.037 -0.502 0.000 0.673 222 A CB 0.008 18.688 19.000 -0.534 0.000 1.297 222 A HN 0.577 nan 8.150 nan 0.000 0.418 223 N N 0.898 119.507 118.700 -0.151 0.000 2.815 223 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 223 N C 0.329 175.792 175.510 -0.079 0.000 1.114 223 N CA 0.628 53.647 53.050 -0.051 0.000 0.717 223 N CB -0.787 37.737 38.487 0.062 0.000 1.074 223 N HN 0.942 nan 8.380 nan 0.000 0.555 224 N N -1.689 116.891 118.700 -0.200 0.000 2.936 224 N HA -0.179 4.561 4.740 -0.000 0.000 0.236 224 N C -0.649 174.656 175.510 -0.343 0.000 0.930 224 N CA 1.560 54.370 53.050 -0.399 0.000 0.966 224 N CB -0.988 37.085 38.487 -0.690 0.000 1.090 224 N HN 0.576 nan 8.380 nan 0.000 0.592 225 I N 0.430 120.954 120.570 -0.077 0.000 2.377 225 I HA 0.266 4.436 4.170 -0.000 0.000 0.293 225 I C -0.366 175.755 176.117 0.007 0.000 0.987 225 I CA -0.799 60.555 61.300 0.090 0.000 1.185 225 I CB 1.216 39.352 38.000 0.226 0.000 1.341 225 I HN -0.029 nan 8.210 nan 0.000 0.455 226 Y N 7.356 127.624 120.300 -0.054 0.000 2.363 226 Y HA 0.588 5.138 4.550 0.000 0.000 0.325 226 Y C -1.300 174.589 175.900 -0.018 0.000 0.984 226 Y CA -0.591 57.452 58.100 -0.096 0.000 1.248 226 Y CB 1.031 39.419 38.460 -0.120 0.000 1.116 226 Y HN 0.373 nan 8.280 nan 0.000 0.470 227 L N 5.858 126.898 121.223 -0.305 0.000 2.356 227 L HA 0.946 5.286 4.340 -0.000 0.000 0.277 227 L C -0.703 175.988 176.870 -0.298 0.000 0.996 227 L CA -0.951 53.803 54.840 -0.143 0.000 0.822 227 L CB 1.740 43.789 42.059 -0.018 0.000 1.256 227 L HN 0.714 nan 8.230 nan 0.000 0.413 228 A N 2.846 125.606 122.820 -0.100 0.000 2.520 228 A HA 0.951 5.271 4.320 -0.000 0.000 0.298 228 A C -1.343 176.305 177.584 0.106 0.000 1.051 228 A CA -0.405 51.612 52.037 -0.033 0.000 0.690 228 A CB 2.040 21.041 19.000 0.001 0.000 1.281 228 A HN 0.766 nan 8.150 nan 0.000 0.402 229 A N 1.662 124.570 122.820 0.146 0.000 2.455 229 A HA 0.798 5.118 4.320 -0.000 0.000 0.300 229 A C -0.887 176.800 177.584 0.171 0.000 1.040 229 A CA -0.590 51.538 52.037 0.152 0.000 0.697 229 A CB 1.195 20.275 19.000 0.133 0.000 1.265 229 A HN 0.840 nan 8.150 nan 0.000 0.407 230 N N 0.066 118.850 118.700 0.140 0.000 2.284 230 N HA 0.600 5.340 4.740 -0.000 0.000 0.300 230 N C -1.782 173.805 175.510 0.128 0.000 1.047 230 N CA -0.288 52.825 53.050 0.105 0.000 0.821 230 N CB 2.044 40.551 38.487 0.035 0.000 1.337 230 N HN 0.667 nan 8.380 nan 0.000 0.482 231 Y N 1.034 121.329 120.300 -0.008 0.000 2.373 231 Y HA 0.704 5.254 4.550 0.000 0.000 0.336 231 Y C -0.489 175.290 175.900 -0.202 0.000 0.979 231 Y CA -0.432 57.634 58.100 -0.056 0.000 1.080 231 Y CB 1.482 39.953 38.460 0.018 0.000 1.190 231 Y HN 0.562 nan 8.280 nan 0.000 0.446 232 G N 4.162 112.323 108.800 -1.064 0.000 2.684 232 G HA2 0.624 4.584 3.960 -0.000 0.000 0.290 232 G HA3 0.624 4.584 3.960 -0.000 0.000 0.290 232 G C -1.878 172.262 174.900 -1.268 0.000 1.425 232 G CA -0.952 43.440 45.100 -1.180 0.000 0.822 232 G HN 0.573 nan 8.290 nan 0.000 0.482 233 E N -1.095 118.302 120.200 -1.338 0.000 2.433 233 E HA 0.718 5.068 4.350 -0.000 0.000 0.273 233 E C -1.000 175.320 176.600 -0.467 0.000 0.950 233 E CA -0.971 54.988 56.400 -0.734 0.000 0.796 233 E CB 2.705 32.144 29.700 -0.436 0.000 1.330 233 E HN 0.694 nan 8.360 nan 0.000 0.455 234 T N -0.944 113.495 114.554 -0.192 0.000 2.923 234 T HA 0.578 4.928 4.350 -0.000 0.000 0.311 234 T C -0.965 173.726 174.700 -0.015 0.000 1.183 234 T CA -1.178 60.872 62.100 -0.083 0.000 1.020 234 T CB 1.425 70.260 68.868 -0.055 0.000 1.165 234 T HN 0.182 nan 8.240 nan 0.000 0.482 235 R N 2.771 123.265 120.500 -0.011 0.000 2.337 235 R HA 0.443 4.783 4.340 -0.000 0.000 0.319 235 R C -0.208 176.056 176.300 -0.059 0.000 0.954 235 R CA -0.740 55.355 56.100 -0.008 0.000 0.840 235 R CB 0.491 30.800 30.300 0.015 0.000 1.164 235 R HN 0.895 nan 8.270 nan 0.000 0.472 236 N N 1.425 120.113 118.700 -0.020 0.000 2.725 236 N HA -0.246 4.494 4.740 -0.000 0.000 0.251 236 N C 0.115 175.548 175.510 -0.128 0.000 1.031 236 N CA 1.209 54.237 53.050 -0.037 0.000 0.720 236 N CB -0.822 37.608 38.487 -0.095 0.000 0.930 236 N HN 0.768 nan 8.380 nan 0.000 0.543 237 A N -1.553 121.282 122.820 0.024 0.000 1.937 237 A HA 0.169 4.489 4.320 -0.000 0.000 0.198 237 A C 0.779 178.573 177.584 0.350 0.000 1.635 237 A CA 0.480 52.582 52.037 0.109 0.000 1.111 237 A CB 0.298 19.292 19.000 -0.011 0.000 1.165 237 A HN 0.189 nan 8.150 nan 0.000 0.460 238 T N 4.493 119.162 114.554 0.192 0.000 2.752 238 T HA 0.392 4.742 4.350 -0.000 0.000 0.295 238 T C -2.687 171.978 174.700 -0.059 0.000 0.923 238 T CA -0.700 61.404 62.100 0.007 0.000 1.112 238 T CB 0.848 69.712 68.868 -0.006 0.000 0.884 238 T HN 0.239 nan 8.240 nan 0.000 0.525 239 P HA 0.332 nan 4.420 nan 0.000 0.276 239 P C -0.519 176.532 177.300 -0.415 0.000 1.235 239 P CA -0.341 62.420 63.100 -0.565 0.000 0.772 239 P CB 0.388 31.725 31.700 -0.606 0.000 0.871 240 I N -0.601 119.760 120.570 -0.347 0.000 2.934 240 I HA 0.698 4.868 4.170 -0.000 0.000 0.306 240 I C -1.000 174.995 176.117 -0.203 0.000 1.110 240 I CA -0.882 60.288 61.300 -0.215 0.000 1.019 240 I CB 2.652 40.575 38.000 -0.130 0.000 1.227 240 I HN 0.045 nan 8.210 nan 0.000 0.434 241 T N 2.460 116.920 114.554 -0.158 0.000 2.881 241 T HA 0.285 4.635 4.350 -0.000 0.000 0.290 241 T C -0.596 174.023 174.700 -0.134 0.000 1.000 241 T CA -0.441 61.571 62.100 -0.146 0.000 0.978 241 T CB 1.157 69.936 68.868 -0.148 0.000 0.997 241 T HN 0.656 nan 8.240 nan 0.000 0.443 242 N N 2.391 121.024 118.700 -0.111 0.000 2.521 242 N HA 0.152 4.892 4.740 -0.000 0.000 0.236 242 N C 0.906 176.321 175.510 -0.158 0.000 1.067 242 N CA -0.358 52.624 53.050 -0.112 0.000 0.939 242 N CB 0.564 39.034 38.487 -0.028 0.000 1.201 242 N HN 0.484 nan 8.380 nan 0.000 0.511 243 K N 1.979 122.193 120.400 -0.311 0.000 2.360 243 K HA -0.077 4.243 4.320 -0.000 0.000 0.201 243 K C 0.585 177.041 176.600 -0.240 0.000 1.046 243 K CA 1.100 57.196 56.287 -0.317 0.000 0.945 243 K CB 0.035 32.290 32.500 -0.407 0.000 0.750 243 K HN 0.400 nan 8.250 nan 0.000 0.464 244 F N 0.296 120.237 119.950 -0.015 0.000 2.147 244 F HA -0.089 4.438 4.527 -0.000 0.000 0.291 244 F C 2.709 178.502 175.800 -0.011 0.000 1.093 244 F CA 1.191 59.184 58.000 -0.011 0.000 1.263 244 F CB -1.064 37.932 39.000 -0.007 0.000 1.036 244 F HN 0.009 nan 8.300 nan 0.000 0.481 245 T N -3.182 111.474 114.554 0.170 0.000 3.107 245 T HA 0.114 4.464 4.350 -0.000 0.000 0.249 245 T C 0.358 175.081 174.700 0.037 0.000 1.096 245 T CA 0.153 62.305 62.100 0.088 0.000 1.012 245 T CB -1.173 67.738 68.868 0.071 0.000 0.977 245 T HN 0.333 nan 8.240 nan 0.000 0.527 246 N N 1.097 119.806 118.700 0.014 0.000 2.714 246 N HA -0.130 4.610 4.740 -0.000 0.000 0.253 246 N C -0.991 174.503 175.510 -0.026 0.000 1.024 246 N CA 0.675 53.713 53.050 -0.019 0.000 0.726 246 N CB -1.203 37.277 38.487 -0.012 0.000 0.908 246 N HN 0.459 nan 8.380 nan 0.000 0.542 247 T N 0.112 114.648 114.554 -0.030 0.000 2.902 247 T HA 0.599 4.949 4.350 -0.000 0.000 0.283 247 T C 0.121 174.781 174.700 -0.067 0.000 1.009 247 T CA -0.416 61.664 62.100 -0.034 0.000 1.051 247 T CB 1.734 70.592 68.868 -0.016 0.000 0.999 247 T HN 0.043 nan 8.240 nan 0.000 0.474 248 S N 0.360 116.015 115.700 -0.075 0.000 2.570 248 S HA 0.945 5.415 4.470 -0.000 0.000 0.286 248 S C 0.262 174.779 174.600 -0.137 0.000 1.099 248 S CA -0.458 57.665 58.200 -0.128 0.000 0.913 248 S CB 2.093 65.210 63.200 -0.138 0.000 1.085 248 S HN 1.160 nan 8.310 nan 0.000 0.480 249 G N 0.890 109.538 108.800 -0.254 0.000 2.512 249 G HA2 0.431 4.391 3.960 -0.000 0.000 0.181 249 G HA3 0.431 4.391 3.960 -0.000 0.000 0.181 249 G C -2.269 172.293 174.900 -0.564 0.000 1.173 249 G CA -0.595 44.349 45.100 -0.261 0.000 0.988 249 G HN 0.478 nan 8.290 nan 0.000 0.485 250 F N 0.873 120.803 119.950 -0.034 0.000 2.576 250 F HA 0.760 5.287 4.527 -0.000 0.000 0.313 250 F C 0.578 176.359 175.800 -0.031 0.000 1.078 250 F CA -0.378 57.599 58.000 -0.038 0.000 0.921 250 F CB 2.446 41.442 39.000 -0.007 0.000 1.232 250 F HN 0.697 nan 8.300 nan 0.000 0.459 251 A N 2.219 125.119 122.820 0.132 0.000 2.347 251 A HA 0.246 4.566 4.320 -0.000 0.000 0.287 251 A C 1.106 178.737 177.584 0.078 0.000 1.199 251 A CA -0.458 51.621 52.037 0.070 0.000 0.851 251 A CB -0.132 18.886 19.000 0.029 0.000 1.118 251 A HN 0.864 nan 8.150 nan 0.000 0.525 252 N N 0.867 119.605 118.700 0.063 0.000 2.096 252 N HA -0.148 4.592 4.740 -0.000 0.000 0.195 252 N C 0.419 175.951 175.510 0.038 0.000 1.017 252 N CA 1.447 54.526 53.050 0.048 0.000 0.870 252 N CB 0.009 38.521 38.487 0.041 0.000 1.024 252 N HN 0.603 nan 8.380 nan 0.000 0.434 253 K N 0.289 120.709 120.400 0.034 0.000 2.543 253 K HA 0.214 4.534 4.320 -0.000 0.000 0.255 253 K C -1.355 175.251 176.600 0.010 0.000 0.934 253 K CA -0.248 56.055 56.287 0.027 0.000 0.810 253 K CB 1.705 34.228 32.500 0.039 0.000 1.315 253 K HN 0.138 nan 8.250 nan 0.000 0.433 254 T N 0.179 114.722 114.554 -0.018 0.000 2.909 254 T HA 0.608 4.958 4.350 -0.000 0.000 0.299 254 T C -0.903 173.729 174.700 -0.113 0.000 1.073 254 T CA -0.772 61.300 62.100 -0.048 0.000 0.999 254 T CB 1.815 70.656 68.868 -0.044 0.000 1.098 254 T HN 0.427 nan 8.240 nan 0.000 0.477 255 Q N 1.609 121.338 119.800 -0.118 0.000 2.330 255 Q HA 0.513 4.853 4.340 -0.000 0.000 0.269 255 Q C -1.528 174.323 176.000 -0.249 0.000 1.022 255 Q CA -0.947 54.728 55.803 -0.213 0.000 0.796 255 Q CB 1.905 30.620 28.738 -0.037 0.000 1.271 255 Q HN 0.638 nan 8.270 nan 0.000 0.450 256 D N 1.838 121.966 120.400 -0.454 0.000 2.505 256 D HA 0.459 5.099 4.640 -0.000 0.000 0.249 256 D C -1.016 175.109 176.300 -0.291 0.000 1.082 256 D CA -0.428 53.378 54.000 -0.323 0.000 0.839 256 D CB 2.420 43.048 40.800 -0.287 0.000 1.317 256 D HN 0.121 nan 8.370 nan 0.000 0.497 257 V N 2.869 122.710 119.914 -0.121 0.000 2.482 257 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 257 V C -0.847 175.226 176.094 -0.035 0.000 1.026 257 V CA -0.749 61.565 62.300 0.022 0.000 0.856 257 V CB 1.782 33.703 31.823 0.165 0.000 1.001 257 V HN 0.357 nan 8.190 nan 0.000 0.424 258 L N 6.215 127.442 121.223 0.007 0.000 2.341 258 L HA 0.682 5.022 4.340 -0.000 0.000 0.278 258 L C -0.534 176.392 176.870 0.092 0.000 1.005 258 L CA -0.370 54.469 54.840 -0.001 0.000 0.818 258 L CB 1.719 43.771 42.059 -0.011 0.000 1.259 258 L HN 0.500 nan 8.230 nan 0.000 0.418 259 L N 3.877 125.173 121.223 0.122 0.000 2.409 259 L HA 0.743 5.083 4.340 -0.000 0.000 0.272 259 L C -0.746 176.223 176.870 0.165 0.000 0.980 259 L CA -0.684 54.254 54.840 0.162 0.000 0.826 259 L CB 2.583 44.763 42.059 0.203 0.000 1.268 259 L HN 0.204 nan 8.230 nan 0.000 0.407 260 V N 1.893 121.906 119.914 0.165 0.000 2.709 260 V HA 0.822 4.942 4.120 -0.000 0.000 0.308 260 V C -0.459 175.746 176.094 0.185 0.000 1.062 260 V CA -0.519 61.892 62.300 0.184 0.000 0.901 260 V CB 1.972 33.920 31.823 0.209 0.000 1.003 260 V HN 0.817 nan 8.190 nan 0.000 0.425 261 A N 4.434 127.361 122.820 0.178 0.000 2.411 261 A HA 0.842 5.162 4.320 -0.000 0.000 0.285 261 A C -0.804 176.883 177.584 0.172 0.000 1.129 261 A CA -0.507 51.629 52.037 0.165 0.000 0.736 261 A CB 1.280 20.358 19.000 0.130 0.000 1.186 261 A HN 0.788 nan 8.150 nan 0.000 0.445 262 Q N 0.345 120.262 119.800 0.195 0.000 2.423 262 Q HA 0.614 4.954 4.340 -0.000 0.000 0.278 262 Q C -1.906 174.207 176.000 0.189 0.000 1.097 262 Q CA -0.702 55.202 55.803 0.168 0.000 0.809 262 Q CB 3.049 31.852 28.738 0.107 0.000 1.391 262 Q HN 0.730 nan 8.270 nan 0.000 0.428 263 Y N 0.829 121.126 120.300 -0.005 0.000 2.421 263 Y HA 0.312 4.862 4.550 -0.000 0.000 0.339 263 Y C -1.291 174.520 175.900 -0.149 0.000 0.996 263 Y CA -0.750 57.281 58.100 -0.115 0.000 1.046 263 Y CB 2.027 40.354 38.460 -0.221 0.000 1.226 263 Y HN 0.519 nan 8.280 nan 0.000 0.445 264 Q N 5.631 124.937 119.800 -0.824 0.000 2.465 264 Q HA 0.369 4.709 4.340 -0.000 0.000 0.237 264 Q C -1.689 173.904 176.000 -0.678 0.000 1.051 264 Q CA -0.206 55.261 55.803 -0.559 0.000 0.874 264 Q CB -0.116 28.371 28.738 -0.418 0.000 1.207 264 Q HN 0.559 nan 8.270 nan 0.000 0.508 265 F N 1.515 121.309 119.950 -0.261 0.000 2.490 265 F HA 0.025 4.552 4.527 -0.000 0.000 0.336 265 F C 1.393 177.122 175.800 -0.119 0.000 1.178 265 F CA 0.365 58.344 58.000 -0.036 0.000 1.301 265 F CB 0.711 39.786 39.000 0.125 0.000 1.175 265 F HN 0.567 nan 8.300 nan 0.000 0.593 266 D N 1.179 121.770 120.400 0.319 0.000 2.183 266 D HA -0.153 4.487 4.640 -0.000 0.000 0.203 266 D C 1.899 178.310 176.300 0.185 0.000 0.969 266 D CA 1.273 55.382 54.000 0.182 0.000 0.842 266 D CB -0.241 40.682 40.800 0.205 0.000 0.957 266 D HN 0.463 nan 8.370 nan 0.000 0.484 267 F N -0.899 119.127 119.950 0.126 0.000 2.771 267 F HA 0.345 4.872 4.527 0.000 0.000 0.299 267 F C 1.458 177.289 175.800 0.051 0.000 1.177 267 F CA 0.466 58.528 58.000 0.103 0.000 1.450 267 F CB -0.357 38.719 39.000 0.127 0.000 1.114 267 F HN -0.015 nan 8.300 nan 0.000 0.587 268 G N 0.348 108.848 108.800 -0.501 0.000 2.192 268 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.193 268 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.193 268 G C -0.460 174.077 174.900 -0.604 0.000 0.999 268 G CA -0.179 44.585 45.100 -0.560 0.000 0.659 268 G HN 0.501 nan 8.290 nan 0.000 0.503 269 L N 1.309 122.119 121.223 -0.689 0.000 2.326 269 L HA 0.825 5.165 4.340 -0.000 0.000 0.278 269 L C 0.564 177.457 176.870 0.038 0.000 1.092 269 L CA -0.737 53.963 54.840 -0.233 0.000 0.810 269 L CB 1.058 42.967 42.059 -0.251 0.000 1.153 269 L HN 0.227 nan 8.230 nan 0.000 0.439 270 R N 6.821 127.387 120.500 0.111 0.000 2.513 270 R HA 0.445 4.785 4.340 -0.000 0.000 0.283 270 R C -2.771 173.624 176.300 0.159 0.000 1.535 270 R CA -1.596 54.589 56.100 0.141 0.000 1.315 270 R CB 0.945 31.333 30.300 0.147 0.000 1.163 270 R HN 0.443 nan 8.270 nan 0.000 0.573 271 P HA 0.009 nan 4.420 nan 0.000 0.269 271 P C -0.844 176.556 177.300 0.168 0.000 1.209 271 P CA 0.021 63.247 63.100 0.211 0.000 0.776 271 P CB 1.556 33.427 31.700 0.285 0.000 0.876 272 S N 2.532 118.318 115.700 0.144 0.000 2.594 272 S HA 0.580 5.050 4.470 -0.000 0.000 0.296 272 S C -1.002 173.685 174.600 0.145 0.000 1.124 272 S CA -0.685 57.593 58.200 0.129 0.000 1.011 272 S CB 0.209 63.463 63.200 0.091 0.000 1.016 272 S HN 0.157 nan 8.310 nan 0.000 0.485 273 I N 3.761 124.423 120.570 0.154 0.000 2.436 273 I HA 0.752 4.922 4.170 -0.000 0.000 0.289 273 I C 0.095 176.328 176.117 0.193 0.000 1.010 273 I CA -0.510 60.894 61.300 0.173 0.000 1.098 273 I CB 1.081 39.176 38.000 0.159 0.000 1.266 273 I HN 0.821 nan 8.210 nan 0.000 0.434 274 A N 6.305 129.263 122.820 0.231 0.000 2.549 274 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 274 A C -2.111 175.647 177.584 0.289 0.000 1.061 274 A CA -0.530 51.650 52.037 0.237 0.000 0.690 274 A CB 1.977 21.100 19.000 0.206 0.000 1.287 274 A HN 0.583 nan 8.150 nan 0.000 0.402 275 Y N 0.669 120.992 120.300 0.037 0.000 2.406 275 Y HA 0.695 5.245 4.550 0.000 0.000 0.340 275 Y C -0.674 175.035 175.900 -0.318 0.000 0.975 275 Y CA -0.161 57.825 58.100 -0.189 0.000 1.056 275 Y CB 2.316 40.680 38.460 -0.160 0.000 1.210 275 Y HN 0.624 nan 8.280 nan 0.000 0.448 276 T N 7.044 120.797 114.554 -1.336 0.000 2.928 276 T HA 0.384 4.734 4.350 -0.000 0.000 0.296 276 T C -1.593 172.343 174.700 -1.273 0.000 1.000 276 T CA -0.910 60.498 62.100 -1.153 0.000 0.989 276 T CB 1.062 69.270 68.868 -1.100 0.000 1.005 276 T HN 0.574 nan 8.240 nan 0.000 0.442 277 K N 1.980 121.898 120.400 -0.803 0.000 2.565 277 K HA 0.569 4.889 4.320 -0.000 0.000 0.249 277 K C -1.324 175.117 176.600 -0.265 0.000 0.958 277 K CA -0.512 55.467 56.287 -0.513 0.000 0.806 277 K CB 1.534 33.813 32.500 -0.369 0.000 1.194 277 K HN 0.544 nan 8.250 nan 0.000 0.434 278 S N 4.610 120.190 115.700 -0.201 0.000 2.640 278 S HA 0.351 4.821 4.470 -0.000 0.000 0.320 278 S C -1.335 173.223 174.600 -0.070 0.000 1.097 278 S CA -0.854 57.274 58.200 -0.120 0.000 1.092 278 S CB 0.365 63.514 63.200 -0.085 0.000 0.988 278 S HN 0.616 nan 8.310 nan 0.000 0.470 279 K N 3.005 123.373 120.400 -0.053 0.000 2.221 279 K HA 0.828 5.148 4.320 -0.000 0.000 0.258 279 K C -0.495 176.096 176.600 -0.014 0.000 0.944 279 K CA -0.905 55.369 56.287 -0.023 0.000 0.823 279 K CB 1.757 34.254 32.500 -0.005 0.000 1.113 279 K HN 0.426 nan 8.250 nan 0.000 0.431 280 A N 3.326 126.144 122.820 -0.003 0.000 2.306 280 A HA 0.429 4.749 4.320 -0.000 0.000 0.314 280 A C -0.837 176.755 177.584 0.014 0.000 1.164 280 A CA -0.800 51.239 52.037 0.003 0.000 0.822 280 A CB 0.605 19.607 19.000 0.004 0.000 1.130 280 A HN 0.784 nan 8.150 nan 0.000 0.496 281 K N 1.233 121.645 120.400 0.020 0.000 2.324 281 K HA 0.456 4.776 4.320 -0.000 0.000 0.253 281 K C -1.265 175.353 176.600 0.030 0.000 0.932 281 K CA -0.699 55.605 56.287 0.028 0.000 0.799 281 K CB 1.446 33.966 32.500 0.034 0.000 1.154 281 K HN 0.678 nan 8.250 nan 0.000 0.425 282 D N 0.101 120.519 120.400 0.030 0.000 3.091 282 D HA -0.128 4.512 4.640 -0.000 0.000 0.216 282 D C -0.363 175.955 176.300 0.030 0.000 1.129 282 D CA 0.578 54.596 54.000 0.031 0.000 0.913 282 D CB -1.579 39.241 40.800 0.033 0.000 1.101 282 D HN 0.192 nan 8.370 nan 0.000 0.426 283 V N 2.464 122.395 119.914 0.028 0.000 2.442 283 V HA -0.096 4.024 4.120 -0.000 0.000 0.272 283 V C 1.254 177.364 176.094 0.028 0.000 0.989 283 V CA 0.089 62.404 62.300 0.026 0.000 1.123 283 V CB 0.011 31.847 31.823 0.021 0.000 1.008 283 V HN 0.126 nan 8.190 nan 0.000 0.469 284 E N 5.071 125.288 120.200 0.029 0.000 3.288 284 E HA -0.085 4.265 4.350 -0.000 0.000 0.237 284 E C 1.244 177.860 176.600 0.028 0.000 0.958 284 E CA 0.919 57.336 56.400 0.028 0.000 0.947 284 E CB -0.649 29.068 29.700 0.028 0.000 0.896 284 E HN 1.034 nan 8.360 nan 0.000 0.566 285 G N 3.207 112.024 108.800 0.027 0.000 2.659 285 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.212 285 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.212 285 G C 0.803 175.722 174.900 0.031 0.000 1.226 285 G CA 0.072 45.188 45.100 0.028 0.000 0.739 285 G HN 0.432 nan 8.290 nan 0.000 0.528 286 I N 2.259 122.850 120.570 0.036 0.000 2.333 286 I HA 0.405 4.575 4.170 -0.000 0.000 0.246 286 I C 2.495 178.633 176.117 0.034 0.000 1.106 286 I CA 2.519 63.844 61.300 0.041 0.000 1.411 286 I CB -0.767 37.261 38.000 0.046 0.000 1.082 286 I HN 1.649 nan 8.210 nan 0.000 0.420 287 G N -0.115 108.703 108.800 0.031 0.000 3.298 287 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 287 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 287 G C -0.554 174.363 174.900 0.029 0.000 1.681 287 G CA 0.021 45.139 45.100 0.029 0.000 1.094 287 G HN 0.275 nan 8.290 nan 0.000 0.575 288 D N 0.902 121.319 120.400 0.029 0.000 2.344 288 D HA 0.624 5.264 4.640 -0.000 0.000 0.239 288 D C -0.175 176.142 176.300 0.027 0.000 1.064 288 D CA 0.053 54.070 54.000 0.028 0.000 0.829 288 D CB 1.906 42.723 40.800 0.029 0.000 1.129 288 D HN 0.619 nan 8.370 nan 0.000 0.506 289 V N 1.575 121.502 119.914 0.022 0.000 2.760 289 V HA 0.345 4.465 4.120 -0.000 0.000 0.309 289 V C -0.589 175.511 176.094 0.010 0.000 1.077 289 V CA -1.109 61.204 62.300 0.020 0.000 0.910 289 V CB 2.322 34.158 31.823 0.021 0.000 1.008 289 V HN 0.305 nan 8.190 nan 0.000 0.424 290 D N 2.873 123.278 120.400 0.008 0.000 2.348 290 D HA 0.415 5.055 4.640 -0.000 0.000 0.253 290 D C 0.864 177.160 176.300 -0.006 0.000 1.161 290 D CA -0.039 53.958 54.000 -0.006 0.000 0.876 290 D CB 1.853 42.647 40.800 -0.010 0.000 1.160 290 D HN 0.415 nan 8.370 nan 0.000 0.459 291 L N 1.152 122.369 121.223 -0.010 0.000 2.221 291 L HA 0.153 4.493 4.340 -0.000 0.000 0.202 291 L C 0.433 177.312 176.870 0.016 0.000 1.074 291 L CA 0.509 55.352 54.840 0.005 0.000 0.795 291 L CB 0.148 42.220 42.059 0.022 0.000 0.960 291 L HN 0.129 nan 8.230 nan 0.000 0.458 292 V N 0.042 119.945 119.914 -0.019 0.000 2.760 292 V HA 0.498 4.618 4.120 -0.000 0.000 0.309 292 V C -1.188 174.800 176.094 -0.176 0.000 1.077 292 V CA -0.694 61.588 62.300 -0.030 0.000 0.910 292 V CB 1.991 33.796 31.823 -0.030 0.000 1.008 292 V HN 0.239 nan 8.190 nan 0.000 0.424 293 N N 3.388 121.968 118.700 -0.199 0.000 2.839 293 N HA 0.456 5.196 4.740 -0.000 0.000 0.258 293 N C -1.698 173.638 175.510 -0.289 0.000 1.150 293 N CA -0.393 52.444 53.050 -0.356 0.000 0.957 293 N CB 1.672 40.049 38.487 -0.183 0.000 1.560 293 N HN 0.739 nan 8.380 nan 0.000 0.588 294 Y N 0.854 120.851 120.300 -0.504 0.000 2.662 294 Y HA 0.653 5.203 4.550 -0.000 0.000 0.334 294 Y C -2.067 173.510 175.900 -0.538 0.000 1.185 294 Y CA -1.474 56.366 58.100 -0.434 0.000 1.074 294 Y CB 0.457 38.636 38.460 -0.468 0.000 1.330 294 Y HN 0.116 nan 8.280 nan 0.000 0.458 295 F N 1.833 121.910 119.950 0.212 0.000 2.450 295 F HA 0.542 5.069 4.527 -0.000 0.000 0.332 295 F C 0.165 176.045 175.800 0.134 0.000 1.093 295 F CA -0.600 57.530 58.000 0.217 0.000 1.003 295 F CB 1.848 40.938 39.000 0.150 0.000 1.151 295 F HN 0.553 nan 8.300 nan 0.000 0.474 296 E N 3.019 123.417 120.200 0.331 0.000 2.191 296 E HA 0.470 4.820 4.350 -0.000 0.000 0.263 296 E C -1.838 174.864 176.600 0.169 0.000 0.881 296 E CA -0.445 56.042 56.400 0.146 0.000 0.757 296 E CB 2.021 31.810 29.700 0.148 0.000 1.147 296 E HN 0.430 nan 8.360 nan 0.000 0.414 297 V N 3.538 123.538 119.914 0.143 0.000 2.444 297 V HA 0.804 4.924 4.120 -0.000 0.000 0.294 297 V C 0.342 176.558 176.094 0.202 0.000 1.022 297 V CA -0.247 62.162 62.300 0.183 0.000 0.850 297 V CB 1.465 33.412 31.823 0.206 0.000 0.992 297 V HN 0.743 nan 8.190 nan 0.000 0.426 298 G N 3.075 111.975 108.800 0.167 0.000 2.608 298 G HA2 0.868 4.828 3.960 -0.000 0.000 0.291 298 G HA3 0.868 4.828 3.960 -0.000 0.000 0.291 298 G C -1.580 173.398 174.900 0.130 0.000 1.425 298 G CA -0.074 45.120 45.100 0.156 0.000 0.787 298 G HN 1.152 nan 8.290 nan 0.000 0.484 299 A N -0.312 122.581 122.820 0.121 0.000 2.517 299 A HA 0.830 5.150 4.320 -0.000 0.000 0.297 299 A C -0.502 177.131 177.584 0.083 0.000 1.050 299 A CA -0.463 51.637 52.037 0.105 0.000 0.694 299 A CB 1.655 20.726 19.000 0.119 0.000 1.277 299 A HN 0.954 nan 8.150 nan 0.000 0.400 300 T N 1.641 116.202 114.554 0.012 0.000 2.824 300 T HA 0.515 4.865 4.350 -0.000 0.000 0.280 300 T C -1.147 173.419 174.700 -0.222 0.000 0.995 300 T CA 0.085 62.108 62.100 -0.127 0.000 1.009 300 T CB 0.714 69.379 68.868 -0.338 0.000 0.955 300 T HN 0.518 nan 8.240 nan 0.000 0.452 301 Y N 3.047 123.102 120.300 -0.408 0.000 2.334 301 Y HA 0.475 5.025 4.550 -0.000 0.000 0.336 301 Y C -1.418 174.113 175.900 -0.614 0.000 0.960 301 Y CA -1.289 56.542 58.100 -0.448 0.000 1.164 301 Y CB 0.620 38.837 38.460 -0.404 0.000 1.155 301 Y HN 0.620 nan 8.280 nan 0.000 0.478 302 Y N 7.174 126.962 120.300 -0.853 0.000 2.404 302 Y HA 0.201 4.751 4.550 -0.000 0.000 0.344 302 Y C 0.316 175.772 175.900 -0.739 0.000 0.970 302 Y CA -0.567 57.183 58.100 -0.583 0.000 1.180 302 Y CB 0.235 38.483 38.460 -0.352 0.000 1.138 302 Y HN 0.684 nan 8.280 nan 0.000 0.510 303 F N 1.398 121.283 119.950 -0.109 0.000 2.171 303 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 303 F C 0.826 176.634 175.800 0.012 0.000 1.090 303 F CA 1.140 59.154 58.000 0.022 0.000 1.293 303 F CB -0.240 38.845 39.000 0.142 0.000 1.013 303 F HN 0.608 nan 8.300 nan 0.000 0.486 304 N N -1.438 117.385 118.700 0.205 0.000 3.593 304 N HA 0.064 4.804 4.740 -0.000 0.000 0.357 304 N C -0.041 175.518 175.510 0.082 0.000 1.518 304 N CA -0.397 52.716 53.050 0.105 0.000 0.823 304 N CB -0.029 38.522 38.487 0.108 0.000 2.346 304 N HN -0.067 nan 8.380 nan 0.000 0.521 305 K N -0.896 119.522 120.400 0.031 0.000 2.459 305 K HA 0.274 4.594 4.320 -0.000 0.000 0.193 305 K C 0.119 176.721 176.600 0.003 0.000 1.030 305 K CA 0.980 57.263 56.287 -0.006 0.000 1.026 305 K CB -0.259 32.220 32.500 -0.036 0.000 0.809 305 K HN 0.438 nan 8.250 nan 0.000 0.504 306 N N -0.603 118.108 118.700 0.018 0.000 2.510 306 N HA 0.104 4.844 4.740 -0.000 0.000 0.186 306 N C -0.143 175.335 175.510 -0.052 0.000 1.051 306 N CA -0.165 52.836 53.050 -0.083 0.000 0.877 306 N CB 0.338 38.780 38.487 -0.076 0.000 1.183 306 N HN 0.025 nan 8.380 nan 0.000 0.443 307 M N 0.567 120.247 119.600 0.134 0.000 2.705 307 M HA 0.490 4.970 4.480 -0.000 0.000 0.311 307 M C -1.328 175.182 176.300 0.350 0.000 1.214 307 M CA -0.582 54.874 55.300 0.261 0.000 0.920 307 M CB 1.756 34.533 32.600 0.295 0.000 1.687 307 M HN 0.109 nan 8.290 nan 0.000 0.481 308 S N 0.059 115.994 115.700 0.391 0.000 2.712 308 S HA 0.674 5.144 4.470 -0.000 0.000 0.279 308 S C -1.061 173.644 174.600 0.176 0.000 1.025 308 S CA -0.467 57.846 58.200 0.189 0.000 0.861 308 S CB 0.328 63.470 63.200 -0.096 0.000 1.091 308 S HN 1.137 nan 8.310 nan 0.000 0.457 309 T N -0.724 113.869 114.554 0.065 0.000 2.865 309 T HA 0.909 5.259 4.350 -0.000 0.000 0.294 309 T C -1.199 173.499 174.700 -0.004 0.000 1.119 309 T CA -0.718 61.379 62.100 -0.004 0.000 1.007 309 T CB 1.446 70.351 68.868 0.062 0.000 1.225 309 T HN 2.070 nan 8.240 nan 0.000 0.515 310 Y N -1.910 118.378 120.300 -0.021 0.000 2.592 310 Y HA 0.735 5.285 4.550 -0.000 0.000 0.334 310 Y C -1.993 173.915 175.900 0.013 0.000 1.136 310 Y CA -1.652 56.426 58.100 -0.036 0.000 1.042 310 Y CB 0.783 39.195 38.460 -0.081 0.000 1.325 310 Y HN 0.557 nan 8.280 nan 0.000 0.457 311 V N 2.567 122.622 119.914 0.234 0.000 2.444 311 V HA 0.405 4.525 4.120 -0.000 0.000 0.294 311 V C -1.237 175.005 176.094 0.246 0.000 1.022 311 V CA -0.383 62.040 62.300 0.204 0.000 0.850 311 V CB 1.399 33.290 31.823 0.113 0.000 0.992 311 V HN 0.798 nan 8.190 nan 0.000 0.426 312 D N 3.193 123.755 120.400 0.270 0.000 2.408 312 D HA 0.376 5.016 4.640 -0.000 0.000 0.243 312 D C -1.525 174.991 176.300 0.361 0.000 1.075 312 D CA -0.241 53.898 54.000 0.230 0.000 0.832 312 D CB 1.438 42.269 40.800 0.051 0.000 1.162 312 D HN 0.434 nan 8.370 nan 0.000 0.515 313 Y N 5.347 125.735 120.300 0.147 0.000 2.326 313 Y HA 0.414 4.964 4.550 -0.000 0.000 0.331 313 Y C -1.245 174.656 175.900 0.002 0.000 0.962 313 Y CA -1.272 56.886 58.100 0.097 0.000 1.167 313 Y CB 0.648 39.154 38.460 0.077 0.000 1.148 313 Y HN 0.237 nan 8.280 nan 0.000 0.463 314 I N 8.303 128.604 120.570 -0.449 0.000 2.312 314 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 314 I C -0.129 175.512 176.117 -0.793 0.000 1.008 314 I CA -0.657 60.196 61.300 -0.746 0.000 1.226 314 I CB 0.982 38.282 38.000 -1.167 0.000 1.371 314 I HN 0.599 nan 8.210 nan 0.000 0.468 315 I N 6.018 126.241 120.570 -0.579 0.000 2.256 315 I HA 0.119 4.289 4.170 -0.000 0.000 0.294 315 I C 0.662 176.714 176.117 -0.109 0.000 1.127 315 I CA -0.342 60.759 61.300 -0.332 0.000 1.247 315 I CB -0.154 37.766 38.000 -0.134 0.000 1.460 315 I HN 0.429 nan 8.210 nan 0.000 0.511 316 N N 5.210 123.828 118.700 -0.136 0.000 2.438 316 N HA -0.010 4.729 4.740 -0.000 0.000 0.267 316 N C 0.817 176.347 175.510 0.034 0.000 1.222 316 N CA 0.267 53.284 53.050 -0.055 0.000 0.930 316 N CB 0.865 39.327 38.487 -0.042 0.000 1.083 316 N HN 0.402 nan 8.380 nan 0.000 0.476 317 Q N 2.365 122.196 119.800 0.051 0.000 2.403 317 Q HA 0.174 4.514 4.340 -0.000 0.000 0.203 317 Q C 0.114 176.142 176.000 0.047 0.000 0.932 317 Q CA 0.027 55.874 55.803 0.074 0.000 0.945 317 Q CB 0.395 29.174 28.738 0.067 0.000 1.045 317 Q HN 0.586 nan 8.270 nan 0.000 0.511 318 I N 3.015 123.607 120.570 0.036 0.000 2.588 318 I HA -0.019 4.151 4.170 -0.000 0.000 0.283 318 I C 0.799 176.945 176.117 0.049 0.000 1.119 318 I CA -0.076 61.248 61.300 0.039 0.000 1.419 318 I CB 0.447 38.473 38.000 0.043 0.000 1.394 318 I HN 0.135 nan 8.210 nan 0.000 0.562 319 D N 3.560 123.990 120.400 0.050 0.000 2.440 319 D HA 0.125 4.765 4.640 -0.000 0.000 0.258 319 D C 0.687 177.022 176.300 0.058 0.000 1.092 319 D CA -0.438 53.594 54.000 0.054 0.000 1.016 319 D CB 1.145 41.977 40.800 0.053 0.000 1.141 319 D HN 0.461 nan 8.370 nan 0.000 0.552 320 S N -0.940 114.796 115.700 0.060 0.000 2.603 320 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 320 S C 0.487 175.139 174.600 0.086 0.000 0.972 320 S CA 0.293 58.535 58.200 0.070 0.000 0.935 320 S CB -0.166 63.071 63.200 0.062 0.000 0.769 320 S HN 0.395 nan 8.310 nan 0.000 0.536 321 D N 1.919 122.366 120.400 0.077 0.000 2.342 321 D HA 0.136 4.776 4.640 -0.000 0.000 0.221 321 D C 0.087 176.450 176.300 0.105 0.000 1.101 321 D CA -0.095 53.954 54.000 0.083 0.000 0.837 321 D CB -0.424 40.410 40.800 0.057 0.000 0.938 321 D HN 0.401 nan 8.370 nan 0.000 0.508 322 N N 1.820 120.584 118.700 0.106 0.000 2.411 322 N HA -0.102 4.638 4.740 -0.000 0.000 0.261 322 N C 1.069 176.674 175.510 0.159 0.000 1.248 322 N CA 0.213 53.320 53.050 0.095 0.000 0.885 322 N CB 0.717 39.236 38.487 0.054 0.000 1.062 322 N HN -0.133 nan 8.380 nan 0.000 0.471 323 K N 3.764 124.246 120.400 0.136 0.000 2.362 323 K HA -0.030 4.290 4.320 -0.000 0.000 0.200 323 K C 1.327 178.045 176.600 0.197 0.000 1.046 323 K CA 0.713 57.117 56.287 0.195 0.000 0.952 323 K CB 0.183 32.752 32.500 0.115 0.000 0.753 323 K HN 0.629 nan 8.250 nan 0.000 0.466 324 L N -1.006 120.239 121.223 0.037 0.000 2.590 324 L HA 0.142 4.482 4.340 -0.000 0.000 0.227 324 L C 0.967 177.624 176.870 -0.354 0.000 1.099 324 L CA 0.434 55.209 54.840 -0.108 0.000 0.872 324 L CB 0.209 42.222 42.059 -0.077 0.000 1.088 324 L HN 0.323 nan 8.230 nan 0.000 0.479 325 G N 0.519 109.127 108.800 -0.319 0.000 2.141 325 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 325 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 325 G C 0.243 175.024 174.900 -0.198 0.000 0.984 325 G CA -0.055 44.791 45.100 -0.424 0.000 0.660 325 G HN 0.044 nan 8.290 nan 0.000 0.525 326 V N 1.408 121.253 119.914 -0.114 0.000 2.557 326 V HA 0.401 4.521 4.120 -0.000 0.000 0.301 326 V C 1.817 177.895 176.094 -0.027 0.000 1.026 326 V CA 0.574 62.837 62.300 -0.061 0.000 1.137 326 V CB 0.524 32.333 31.823 -0.024 0.000 0.917 326 V HN 1.004 nan 8.190 nan 0.000 0.484 327 G N 3.988 112.773 108.800 -0.026 0.000 2.368 327 G HA2 0.189 4.149 3.960 -0.000 0.000 0.233 327 G HA3 0.189 4.149 3.960 -0.000 0.000 0.233 327 G C 0.866 175.789 174.900 0.038 0.000 1.267 327 G CA 0.288 45.389 45.100 0.002 0.000 0.873 327 G HN 1.147 nan 8.290 nan 0.000 0.539 328 S N 0.098 115.825 115.700 0.043 0.000 2.603 328 S HA 0.176 4.646 4.470 -0.000 0.000 0.232 328 S C 0.164 174.795 174.600 0.051 0.000 1.016 328 S CA -0.343 57.888 58.200 0.051 0.000 0.976 328 S CB 0.571 63.802 63.200 0.051 0.000 0.921 328 S HN 0.472 nan 8.310 nan 0.000 0.516 329 D N 2.550 122.982 120.400 0.054 0.000 2.348 329 D HA 0.452 5.092 4.640 -0.000 0.000 0.249 329 D C -0.614 175.713 176.300 0.045 0.000 1.110 329 D CA -0.129 53.904 54.000 0.056 0.000 0.967 329 D CB 0.777 41.615 40.800 0.064 0.000 1.139 329 D HN 0.140 nan 8.370 nan 0.000 0.466 330 D N -0.464 119.965 120.400 0.047 0.000 2.312 330 D HA 0.428 5.068 4.640 -0.000 0.000 0.248 330 D C -0.349 175.990 176.300 0.064 0.000 1.086 330 D CA 0.155 54.159 54.000 0.008 0.000 0.948 330 D CB 0.903 41.740 40.800 0.062 0.000 1.162 330 D HN 0.027 nan 8.370 nan 0.000 0.446 331 T N 0.123 114.683 114.554 0.010 0.000 2.991 331 T HA 0.411 4.761 4.350 -0.000 0.000 0.303 331 T C -0.655 174.169 174.700 0.206 0.000 1.015 331 T CA -0.614 61.532 62.100 0.078 0.000 1.007 331 T CB 1.372 70.203 68.868 -0.062 0.000 1.034 331 T HN -0.012 nan 8.240 nan 0.000 0.446 332 V N 2.446 122.571 119.914 0.351 0.000 2.435 332 V HA 0.839 4.959 4.120 -0.000 0.000 0.290 332 V C 0.089 176.410 176.094 0.378 0.000 1.030 332 V CA -0.788 61.768 62.300 0.427 0.000 0.881 332 V CB 1.510 33.532 31.823 0.330 0.000 0.983 332 V HN 1.087 nan 8.190 nan 0.000 0.445 333 A N 4.568 127.580 122.820 0.320 0.000 2.331 333 A HA 0.852 5.171 4.320 -0.000 0.000 0.320 333 A C -0.900 176.839 177.584 0.259 0.000 1.138 333 A CA -0.528 51.636 52.037 0.211 0.000 0.790 333 A CB 1.527 20.464 19.000 -0.105 0.000 1.206 333 A HN 0.650 nan 8.150 nan 0.000 0.470 334 V N 1.994 122.070 119.914 0.271 0.000 2.409 334 V HA 0.753 4.873 4.120 -0.000 0.000 0.291 334 V C 0.581 176.628 176.094 -0.078 0.000 1.020 334 V CA 0.015 62.388 62.300 0.123 0.000 0.848 334 V CB 1.640 33.617 31.823 0.257 0.000 0.990 334 V HN 1.210 nan 8.190 nan 0.000 0.430 335 G N 3.756 112.246 108.800 -0.517 0.000 2.571 335 G HA2 0.770 4.730 3.960 -0.000 0.000 0.304 335 G HA3 0.770 4.730 3.960 -0.000 0.000 0.304 335 G C -1.493 173.088 174.900 -0.532 0.000 1.314 335 G CA -0.553 44.122 45.100 -0.708 0.000 0.975 335 G HN 0.726 nan 8.290 nan 0.000 0.485 336 I N 2.083 122.514 120.570 -0.231 0.000 2.476 336 I HA 0.513 4.683 4.170 -0.000 0.000 0.281 336 I C -1.288 174.832 176.117 0.005 0.000 1.040 336 I CA -0.770 60.490 61.300 -0.067 0.000 1.094 336 I CB 1.482 39.481 38.000 -0.001 0.000 1.219 336 I HN 0.185 nan 8.210 nan 0.000 0.450 337 V N 8.250 128.205 119.914 0.067 0.000 2.357 337 V HA 0.314 4.434 4.120 -0.000 0.000 0.284 337 V C -0.673 175.518 176.094 0.161 0.000 1.018 337 V CA -0.556 61.804 62.300 0.100 0.000 0.841 337 V CB 1.408 33.308 31.823 0.128 0.000 0.991 337 V HN 0.617 nan 8.190 nan 0.000 0.437 338 Y N 5.323 125.656 120.300 0.055 0.000 2.376 338 Y HA 0.716 5.266 4.550 -0.000 0.000 0.325 338 Y C 0.042 176.000 175.900 0.096 0.000 1.199 338 Y CA -0.285 57.867 58.100 0.086 0.000 1.206 338 Y CB 1.435 39.941 38.460 0.077 0.000 1.229 338 Y HN 0.737 nan 8.280 nan 0.000 0.480 339 Q N 4.998 124.286 119.800 -0.853 0.000 2.527 339 Q HA 0.458 4.798 4.340 -0.000 0.000 0.280 339 Q C -2.091 173.606 176.000 -0.506 0.000 0.977 339 Q CA -0.915 54.605 55.803 -0.473 0.000 0.837 339 Q CB 2.080 30.688 28.738 -0.217 0.000 1.454 339 Q HN 0.683 nan 8.270 nan 0.000 0.387 340 F N 0.000 119.826 119.950 -0.207 0.000 2.286 340 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 340 F CA 0.000 57.959 58.000 -0.068 0.000 1.383 340 F CB 0.000 39.043 39.000 0.072 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574