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 1os5_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGQRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE YGYGAKDVRN LSSRAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.562 174.600 -0.063 0.000 1.055 1 S CA 0.000 58.173 58.200 -0.046 0.000 1.107 1 S CB 0.000 63.163 63.200 -0.062 0.000 0.593 2 M N 2.993 122.545 119.600 -0.079 0.000 2.200 2 M HA 0.296 4.776 4.480 -0.000 0.000 0.355 2 M C 1.812 177.984 176.300 -0.212 0.000 1.283 2 M CA -0.123 55.112 55.300 -0.108 0.000 1.124 2 M CB 0.678 33.233 32.600 -0.074 0.000 1.625 2 M HN 1.028 nan 8.290 nan 0.000 0.463 3 S N 2.957 118.457 115.700 -0.335 0.000 2.400 3 S HA -0.111 4.359 4.470 -0.000 0.000 0.232 3 S C 0.082 174.248 174.600 -0.724 0.000 1.025 3 S CA 1.057 58.933 58.200 -0.540 0.000 0.993 3 S CB -0.220 62.567 63.200 -0.689 0.000 0.808 3 S HN 0.646 nan 8.310 nan 0.000 0.478 4 Y N 0.625 120.735 120.300 -0.318 0.000 2.544 4 Y HA 0.543 5.093 4.550 -0.000 0.000 0.342 4 Y C -0.168 175.364 175.900 -0.614 0.000 1.062 4 Y CA -0.924 56.850 58.100 -0.543 0.000 1.023 4 Y CB 1.997 39.983 38.460 -0.791 0.000 1.308 4 Y HN 0.130 nan 8.280 nan 0.000 0.457 5 T N -2.062 112.188 114.554 -0.507 0.000 2.861 5 T HA 0.690 5.040 4.350 -0.000 0.000 0.287 5 T C -1.301 173.085 174.700 -0.524 0.000 1.003 5 T CA -0.790 61.073 62.100 -0.395 0.000 0.977 5 T CB 1.040 69.824 68.868 -0.139 0.000 0.996 5 T HN 0.524 nan 8.240 nan 0.000 0.448 6 W N 1.132 122.481 121.300 0.082 0.000 2.689 6 W HA 0.495 5.155 4.660 -0.000 0.000 0.340 6 W C 1.504 178.050 176.519 0.045 0.000 1.060 6 W CA -0.727 56.652 57.345 0.056 0.000 1.218 6 W CB 1.939 31.416 29.460 0.028 0.000 1.410 6 W HN 0.894 nan 8.180 nan 0.000 0.528 7 T N -2.453 112.274 114.554 0.288 0.000 3.051 7 T HA 0.330 4.680 4.350 -0.000 0.000 0.255 7 T C 1.377 176.163 174.700 0.144 0.000 1.085 7 T CA 0.930 63.130 62.100 0.167 0.000 1.109 7 T CB 0.053 68.996 68.868 0.126 0.000 0.921 7 T HN 1.120 nan 8.240 nan 0.000 0.488 8 G N 1.190 110.087 108.800 0.161 0.000 2.380 8 G HA2 0.097 4.057 3.960 -0.000 0.000 0.197 8 G HA3 0.097 4.057 3.960 -0.000 0.000 0.197 8 G C 0.369 175.298 174.900 0.048 0.000 1.001 8 G CA -0.175 44.975 45.100 0.083 0.000 0.668 8 G HN 1.032 nan 8.290 nan 0.000 0.483 9 A N 1.262 124.124 122.820 0.069 0.000 2.511 9 A HA 0.611 4.931 4.320 -0.000 0.000 0.242 9 A C 0.771 178.364 177.584 0.015 0.000 1.069 9 A CA 0.286 52.348 52.037 0.043 0.000 0.763 9 A CB 0.095 19.130 19.000 0.058 0.000 1.001 9 A HN 0.858 nan 8.150 nan 0.000 0.498 10 L N 2.112 123.328 121.223 -0.011 0.000 2.418 10 L HA 0.288 4.628 4.340 -0.000 0.000 0.265 10 L C 0.140 176.990 176.870 -0.034 0.000 1.143 10 L CA -0.339 54.474 54.840 -0.045 0.000 0.809 10 L CB 0.697 42.732 42.059 -0.040 0.000 1.124 10 L HN 0.558 nan 8.230 nan 0.000 0.456 11 I N 1.901 122.432 120.570 -0.064 0.000 2.347 11 I HA 0.066 4.236 4.170 -0.000 0.000 0.294 11 I C 0.499 176.604 176.117 -0.020 0.000 1.090 11 I CA -0.038 61.240 61.300 -0.037 0.000 1.314 11 I CB 0.482 38.443 38.000 -0.066 0.000 1.423 11 I HN 0.675 nan 8.210 nan 0.000 0.503 12 T N 4.940 119.493 114.554 -0.002 0.000 2.934 12 T HA 0.586 4.936 4.350 -0.000 0.000 0.283 12 T C -2.347 172.363 174.700 0.017 0.000 1.005 12 T CA -1.845 60.258 62.100 0.004 0.000 1.041 12 T CB 1.717 70.587 68.868 0.004 0.000 1.042 12 T HN 0.246 nan 8.240 nan 0.000 0.505 13 P HA 0.418 nan 4.420 nan 0.000 0.282 13 P C -0.076 177.240 177.300 0.028 0.000 1.287 13 P CA -0.753 62.364 63.100 0.028 0.000 0.792 13 P CB 0.834 32.551 31.700 0.029 0.000 1.163 14 C N -1.056 118.263 119.300 0.032 0.000 2.689 14 C HA 0.623 5.083 4.460 -0.000 0.000 0.336 14 C C 1.137 176.141 174.990 0.024 0.000 1.304 14 C CA 0.774 59.808 59.018 0.027 0.000 1.860 14 C CB -0.246 27.513 27.740 0.031 0.000 2.405 14 C HN 0.702 nan 8.230 nan 0.000 0.557 15 A N -0.093 122.744 122.820 0.029 0.000 2.552 15 A HA 0.794 5.114 4.320 -0.000 0.000 0.288 15 A C -0.741 176.866 177.584 0.038 0.000 1.193 15 A CA 0.128 52.183 52.037 0.030 0.000 0.713 15 A CB -0.066 18.953 19.000 0.031 0.000 1.305 15 A HN 0.522 nan 8.150 nan 0.000 0.424 16 A N 0.111 122.956 122.820 0.042 0.000 2.540 16 A HA 0.480 4.800 4.320 -0.000 0.000 0.239 16 A C -0.067 177.559 177.584 0.070 0.000 1.061 16 A CA 0.430 52.498 52.037 0.052 0.000 0.758 16 A CB -0.388 18.642 19.000 0.050 0.000 0.991 16 A HN 0.618 nan 8.150 nan 0.000 0.502 17 E N 1.795 122.041 120.200 0.076 0.000 2.145 17 E HA 0.277 4.627 4.350 -0.000 0.000 0.270 17 E C -0.803 175.880 176.600 0.137 0.000 0.906 17 E CA -0.475 55.983 56.400 0.097 0.000 0.761 17 E CB 1.647 31.390 29.700 0.072 0.000 1.116 17 E HN 0.719 nan 8.360 nan 0.000 0.408 18 E N 1.279 121.607 120.200 0.213 0.000 2.283 18 E HA 0.081 4.431 4.350 -0.000 0.000 0.278 18 E C 0.345 177.160 176.600 0.358 0.000 1.027 18 E CA -0.025 56.554 56.400 0.299 0.000 0.843 18 E CB 1.224 31.170 29.700 0.411 0.000 1.062 18 E HN 0.597 nan 8.360 nan 0.000 0.401 19 S N 2.911 118.804 115.700 0.322 0.000 2.514 19 S HA 0.125 4.594 4.470 -0.000 0.000 0.223 19 S C 0.519 175.398 174.600 0.465 0.000 1.046 19 S CA -0.087 58.302 58.200 0.315 0.000 0.914 19 S CB 0.468 63.792 63.200 0.206 0.000 0.807 19 S HN 0.240 nan 8.310 nan 0.000 0.497 20 K N 1.046 121.709 120.400 0.438 0.000 2.156 20 K HA 0.465 4.785 4.320 -0.000 0.000 0.254 20 K C -1.252 175.513 176.600 0.275 0.000 0.950 20 K CA -0.959 55.563 56.287 0.393 0.000 0.849 20 K CB 1.728 34.364 32.500 0.227 0.000 1.100 20 K HN 0.148 nan 8.250 nan 0.000 0.434 21 L N 4.932 126.313 121.223 0.263 0.000 2.562 21 L HA 0.096 4.436 4.340 -0.000 0.000 0.271 21 L C -2.226 174.504 176.870 -0.234 0.000 1.167 21 L CA -1.040 53.713 54.840 -0.145 0.000 0.917 21 L CB -0.173 41.970 42.059 0.141 0.000 1.187 21 L HN 0.411 nan 8.230 nan 0.000 0.482 22 P HA 0.083 nan 4.420 nan 0.000 0.268 22 P C -0.213 176.925 177.300 -0.272 0.000 1.205 22 P CA 0.006 62.929 63.100 -0.295 0.000 0.771 22 P CB 0.493 32.012 31.700 -0.303 0.000 0.858 23 I N 3.383 123.783 120.570 -0.284 0.000 2.533 23 I HA 0.091 4.260 4.170 -0.000 0.000 0.284 23 I C 0.987 177.002 176.117 -0.169 0.000 1.109 23 I CA 0.577 61.700 61.300 -0.295 0.000 1.412 23 I CB -0.028 37.783 38.000 -0.315 0.000 1.396 23 I HN 0.402 nan 8.210 nan 0.000 0.543 24 N N 5.316 123.944 118.700 -0.121 0.000 2.493 24 N HA 0.223 4.963 4.740 -0.000 0.000 0.279 24 N C 0.202 175.687 175.510 -0.042 0.000 1.082 24 N CA -0.207 52.796 53.050 -0.079 0.000 0.963 24 N CB 1.912 40.345 38.487 -0.090 0.000 1.627 24 N HN 0.601 nan 8.380 nan 0.000 0.499 25 A N 3.981 126.782 122.820 -0.033 0.000 1.927 25 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 25 A C 1.950 179.532 177.584 -0.003 0.000 1.185 25 A CA 1.448 53.475 52.037 -0.018 0.000 0.639 25 A CB -0.490 18.496 19.000 -0.022 0.000 0.820 25 A HN 0.695 nan 8.150 nan 0.000 0.451 26 L N -0.050 121.172 121.223 -0.002 0.000 2.044 26 L HA -0.149 4.190 4.340 -0.000 0.000 0.205 26 L C 3.034 179.967 176.870 0.105 0.000 1.075 26 L CA 1.609 56.465 54.840 0.027 0.000 0.747 26 L CB -0.680 41.374 42.059 -0.009 0.000 0.903 26 L HN 0.598 nan 8.230 nan 0.000 0.435 27 S N -0.342 115.394 115.700 0.060 0.000 2.402 27 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 27 S C 1.689 176.314 174.600 0.041 0.000 1.021 27 S CA 1.417 59.647 58.200 0.051 0.000 0.974 27 S CB -0.711 62.494 63.200 0.008 0.000 0.800 27 S HN 0.401 nan 8.310 nan 0.000 0.484 28 N N 2.531 121.253 118.700 0.036 0.000 2.205 28 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 28 N C 1.732 177.260 175.510 0.031 0.000 1.015 28 N CA 1.641 54.716 53.050 0.042 0.000 0.862 28 N CB -0.464 38.043 38.487 0.033 0.000 0.986 28 N HN 0.627 nan 8.380 nan 0.000 0.429 29 S N -0.839 114.884 115.700 0.038 0.000 2.481 29 S HA -0.063 4.406 4.470 -0.000 0.000 0.231 29 S C 1.769 176.403 174.600 0.056 0.000 0.996 29 S CA 0.423 58.633 58.200 0.018 0.000 0.942 29 S CB -0.312 62.900 63.200 0.020 0.000 0.768 29 S HN 0.317 nan 8.310 nan 0.000 0.520 30 L N 1.091 122.363 121.223 0.080 0.000 2.084 30 L HA 0.441 4.781 4.340 -0.000 0.000 0.202 30 L C 0.067 177.001 176.870 0.106 0.000 1.074 30 L CA 1.163 56.046 54.840 0.073 0.000 0.757 30 L CB -0.373 41.498 42.059 -0.314 0.000 0.918 30 L HN 0.609 nan 8.230 nan 0.000 0.444 31 L N -3.530 117.715 121.223 0.037 0.000 2.513 31 L HA 0.473 4.813 4.340 -0.000 0.000 0.261 31 L C 0.444 177.315 176.870 0.002 0.000 0.945 31 L CA -0.585 54.261 54.840 0.009 0.000 0.848 31 L CB 1.549 43.617 42.059 0.014 0.000 1.334 31 L HN 0.176 nan 8.230 nan 0.000 0.407 32 R N 0.150 120.605 120.500 -0.076 0.000 2.223 32 R HA 0.197 4.537 4.340 -0.000 0.000 0.198 32 R C -0.074 176.270 176.300 0.073 0.000 0.984 32 R CA 0.292 56.392 56.100 0.000 0.000 1.018 32 R CB -0.373 29.910 30.300 -0.029 0.000 0.945 32 R HN 0.823 nan 8.270 nan 0.000 0.479 33 H N 2.100 121.166 119.070 -0.006 0.000 2.966 33 H HA 0.039 4.595 4.556 -0.000 0.000 0.217 33 H C 0.558 175.821 175.328 -0.108 0.000 1.906 33 H CA -0.265 55.723 56.048 -0.099 0.000 1.351 33 H CB -0.012 29.724 29.762 -0.044 0.000 1.722 33 H HN 0.550 nan 8.280 nan 0.000 0.562 34 H N -0.526 118.640 119.070 0.161 0.000 2.457 34 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 34 H C 1.213 176.629 175.328 0.146 0.000 1.092 34 H CA 1.576 57.699 56.048 0.125 0.000 1.309 34 H CB -0.299 29.505 29.762 0.070 0.000 1.382 34 H HN 0.437 nan 8.280 nan 0.000 0.535 35 N N -0.110 118.481 118.700 -0.182 0.000 2.520 35 N HA -0.072 4.668 4.740 -0.000 0.000 0.185 35 N C 1.034 176.609 175.510 0.109 0.000 1.068 35 N CA 0.890 53.962 53.050 0.037 0.000 0.911 35 N CB 0.028 38.471 38.487 -0.072 0.000 0.961 35 N HN 0.310 nan 8.380 nan 0.000 0.446 36 M N 0.238 119.908 119.600 0.117 0.000 2.419 36 M HA 0.065 4.545 4.480 -0.000 0.000 0.264 36 M C 0.110 176.570 176.300 0.267 0.000 1.082 36 M CA 0.553 55.953 55.300 0.166 0.000 1.119 36 M CB -0.176 32.516 32.600 0.152 0.000 1.398 36 M HN -0.152 nan 8.290 nan 0.000 0.453 37 V N 1.560 121.646 119.914 0.286 0.000 2.439 37 V HA 0.281 4.401 4.120 -0.000 0.000 0.282 37 V C -0.574 175.788 176.094 0.446 0.000 1.039 37 V CA -0.713 61.777 62.300 0.317 0.000 0.913 37 V CB 0.672 32.679 31.823 0.306 0.000 0.983 37 V HN 0.391 nan 8.190 nan 0.000 0.460 38 Y N 2.507 122.946 120.300 0.232 0.000 2.615 38 Y HA 0.922 5.472 4.550 -0.000 0.000 0.341 38 Y C -0.469 175.417 175.900 -0.023 0.000 1.089 38 Y CA -1.519 56.702 58.100 0.202 0.000 1.049 38 Y CB 1.691 40.246 38.460 0.158 0.000 1.296 38 Y HN 0.675 nan 8.280 nan 0.000 0.470 39 A N 1.511 124.301 122.820 -0.049 0.000 2.343 39 A HA 0.664 4.984 4.320 -0.000 0.000 0.316 39 A C -0.169 177.435 177.584 0.034 0.000 1.104 39 A CA -0.412 51.402 52.037 -0.371 0.000 0.768 39 A CB 0.520 19.003 19.000 -0.862 0.000 1.213 39 A HN 1.074 nan 8.150 nan 0.000 0.456 40 T N 0.245 114.837 114.554 0.064 0.000 2.898 40 T HA 0.573 4.923 4.350 -0.000 0.000 0.301 40 T C 0.463 175.205 174.700 0.071 0.000 1.049 40 T CA 0.432 62.632 62.100 0.166 0.000 1.095 40 T CB 0.785 69.775 68.868 0.203 0.000 0.976 40 T HN 1.450 nan 8.240 nan 0.000 0.539 41 T N -2.311 112.290 114.554 0.079 0.000 2.838 41 T HA 0.482 4.832 4.350 -0.000 0.000 0.292 41 T C 1.293 176.016 174.700 0.040 0.000 1.113 41 T CA -0.273 61.858 62.100 0.053 0.000 1.008 41 T CB 1.185 70.091 68.868 0.063 0.000 1.259 41 T HN 0.733 nan 8.240 nan 0.000 0.520 42 S N -0.366 115.351 115.700 0.028 0.000 2.500 42 S HA -0.075 4.395 4.470 -0.000 0.000 0.239 42 S C 1.841 176.439 174.600 -0.003 0.000 0.989 42 S CA 0.376 58.582 58.200 0.010 0.000 0.951 42 S CB -0.600 62.605 63.200 0.008 0.000 0.759 42 S HN 0.702 nan 8.310 nan 0.000 0.523 43 R N 1.926 122.432 120.500 0.010 0.000 2.127 43 R HA -0.039 4.301 4.340 -0.000 0.000 0.238 43 R C 2.185 178.479 176.300 -0.011 0.000 1.134 43 R CA 1.592 57.693 56.100 0.001 0.000 0.975 43 R CB -0.335 29.975 30.300 0.016 0.000 0.865 43 R HN 0.688 nan 8.270 nan 0.000 0.447 44 S N -1.328 114.370 115.700 -0.002 0.000 2.577 44 S HA 0.274 4.744 4.470 -0.000 0.000 0.219 44 S C 1.645 176.225 174.600 -0.033 0.000 0.962 44 S CA 0.093 58.285 58.200 -0.013 0.000 0.921 44 S CB 0.962 64.169 63.200 0.011 0.000 0.789 44 S HN 0.287 nan 8.310 nan 0.000 0.497 45 A N 2.287 125.078 122.820 -0.049 0.000 1.908 45 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 45 A C 2.280 179.772 177.584 -0.154 0.000 1.181 45 A CA 1.637 53.622 52.037 -0.087 0.000 0.627 45 A CB -1.700 17.243 19.000 -0.095 0.000 0.818 45 A HN 0.640 nan 8.150 nan 0.000 0.445 46 G N -0.771 107.931 108.800 -0.162 0.000 2.476 46 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 46 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 46 G C 1.579 176.386 174.900 -0.155 0.000 1.164 46 G CA 1.146 46.123 45.100 -0.206 0.000 0.768 46 G HN 0.658 nan 8.290 nan 0.000 0.560 47 Q N -0.449 119.296 119.800 -0.092 0.000 2.045 47 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 47 Q C 2.676 178.652 176.000 -0.040 0.000 0.991 47 Q CA 1.701 57.472 55.803 -0.053 0.000 0.851 47 Q CB -0.202 28.515 28.738 -0.034 0.000 0.911 47 Q HN 0.338 nan 8.270 nan 0.000 0.418 48 R N 0.946 121.422 120.500 -0.041 0.000 2.081 48 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 48 R C 2.071 178.355 176.300 -0.028 0.000 1.131 48 R CA 1.825 57.919 56.100 -0.011 0.000 0.960 48 R CB -0.217 30.080 30.300 -0.005 0.000 0.856 48 R HN 0.321 nan 8.270 nan 0.000 0.436 49 Q N -0.021 119.690 119.800 -0.148 0.000 2.045 49 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 49 Q C 2.114 178.100 176.000 -0.023 0.000 0.991 49 Q CA 2.084 57.747 55.803 -0.234 0.000 0.851 49 Q CB -0.183 28.106 28.738 -0.749 0.000 0.911 49 Q HN 0.293 nan 8.270 nan 0.000 0.418 50 K N 0.770 121.143 120.400 -0.045 0.000 2.044 50 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 50 K C 2.135 178.827 176.600 0.153 0.000 1.049 50 K CA 1.378 57.702 56.287 0.063 0.000 0.927 50 K CB -0.088 32.423 32.500 0.019 0.000 0.713 50 K HN 0.033 nan 8.250 nan 0.000 0.443 51 K N 0.785 121.262 120.400 0.129 0.000 2.026 51 K HA -0.130 4.189 4.320 -0.000 0.000 0.208 51 K C 1.810 178.609 176.600 0.333 0.000 1.048 51 K CA 1.687 58.086 56.287 0.187 0.000 0.929 51 K CB 0.004 32.582 32.500 0.129 0.000 0.713 51 K HN 0.151 nan 8.250 nan 0.000 0.439 52 V N -0.912 119.182 119.914 0.301 0.000 3.510 52 V HA 0.038 4.158 4.120 -0.000 0.000 0.270 52 V C 0.309 176.597 176.094 0.324 0.000 1.201 52 V CA 0.604 63.129 62.300 0.375 0.000 1.166 52 V CB -0.305 31.707 31.823 0.315 0.000 0.825 52 V HN 0.052 nan 8.190 nan 0.000 0.484 53 T N 4.380 119.158 114.554 0.374 0.000 2.738 53 T HA 0.691 5.041 4.350 -0.000 0.000 0.298 53 T C -0.729 174.139 174.700 0.281 0.000 0.962 53 T CA -0.016 62.270 62.100 0.310 0.000 0.972 53 T CB 0.146 69.321 68.868 0.510 0.000 0.928 53 T HN 0.640 nan 8.240 nan 0.000 0.474 54 F N -0.079 119.969 119.950 0.164 0.000 2.741 54 F HA 0.632 5.159 4.527 -0.000 0.000 0.311 54 F C -1.172 174.661 175.800 0.055 0.000 1.149 54 F CA -1.717 56.342 58.000 0.098 0.000 0.930 54 F CB 0.723 39.774 39.000 0.085 0.000 1.312 54 F HN 0.191 nan 8.300 nan 0.000 0.450 55 D N 1.238 121.820 120.400 0.304 0.000 2.308 55 D HA 0.384 5.024 4.640 -0.000 0.000 0.251 55 D C -0.629 175.824 176.300 0.254 0.000 1.127 55 D CA -0.022 54.078 54.000 0.168 0.000 0.876 55 D CB 0.918 41.785 40.800 0.112 0.000 1.176 55 D HN 0.554 nan 8.370 nan 0.000 0.446 56 R N 2.320 122.901 120.500 0.135 0.000 2.404 56 R HA 0.631 4.971 4.340 -0.000 0.000 0.291 56 R C -0.794 175.549 176.300 0.071 0.000 1.025 56 R CA -0.547 55.639 56.100 0.143 0.000 0.991 56 R CB 0.822 31.163 30.300 0.068 0.000 1.053 56 R HN 0.352 nan 8.270 nan 0.000 0.479 57 L N 1.636 122.896 121.223 0.061 0.000 2.385 57 L HA 0.484 4.824 4.340 -0.000 0.000 0.273 57 L C -0.829 176.046 176.870 0.008 0.000 0.990 57 L CA -0.169 54.684 54.840 0.022 0.000 0.821 57 L CB 1.969 44.038 42.059 0.016 0.000 1.279 57 L HN 0.544 nan 8.230 nan 0.000 0.412 58 Q N 2.541 122.335 119.800 -0.011 0.000 2.271 58 Q HA 0.733 5.073 4.340 -0.000 0.000 0.268 58 Q C -2.109 173.866 176.000 -0.041 0.000 1.021 58 Q CA -0.555 55.236 55.803 -0.021 0.000 0.802 58 Q CB 2.543 31.262 28.738 -0.031 0.000 1.282 58 Q HN 0.438 nan 8.270 nan 0.000 0.431 59 V N 5.159 125.052 119.914 -0.036 0.000 2.487 59 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 59 V C -0.314 175.765 176.094 -0.025 0.000 1.028 59 V CA -0.637 61.636 62.300 -0.045 0.000 0.860 59 V CB 1.581 33.377 31.823 -0.045 0.000 0.991 59 V HN 0.753 nan 8.190 nan 0.000 0.427 60 L N 4.433 125.599 121.223 -0.094 0.000 2.358 60 L HA 0.786 5.126 4.340 -0.000 0.000 0.268 60 L C -0.356 176.523 176.870 0.014 0.000 1.032 60 L CA -0.523 54.224 54.840 -0.154 0.000 0.805 60 L CB 1.783 43.550 42.059 -0.487 0.000 1.253 60 L HN 0.814 nan 8.230 nan 0.000 0.452 61 D N -1.941 118.542 120.400 0.138 0.000 2.744 61 D HA 0.159 4.799 4.640 -0.000 0.000 0.304 61 D C -0.047 176.327 176.300 0.123 0.000 1.179 61 D CA -0.550 53.521 54.000 0.120 0.000 1.024 61 D CB 0.635 41.519 40.800 0.139 0.000 1.453 61 D HN 0.300 nan 8.370 nan 0.000 0.529 62 D N -0.885 119.523 120.400 0.014 0.000 2.123 62 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 62 D C 1.714 178.029 176.300 0.025 0.000 0.992 62 D CA 1.348 55.332 54.000 -0.027 0.000 0.833 62 D CB -0.280 40.439 40.800 -0.135 0.000 0.954 62 D HN 0.418 nan 8.370 nan 0.000 0.455 63 H N -0.646 118.495 119.070 0.117 0.000 2.352 63 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 63 H C 2.041 177.410 175.328 0.068 0.000 1.097 63 H CA 1.060 57.167 56.048 0.098 0.000 1.311 63 H CB -0.658 29.186 29.762 0.136 0.000 1.377 63 H HN 0.323 nan 8.280 nan 0.000 0.504 64 Y N 1.837 122.180 120.300 0.071 0.000 2.145 64 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 64 Y C 2.653 178.501 175.900 -0.085 0.000 1.145 64 Y CA 1.481 59.486 58.100 -0.158 0.000 1.148 64 Y CB -0.085 38.182 38.460 -0.322 0.000 0.981 64 Y HN -0.055 nan 8.280 nan 0.000 0.507 65 R N 0.136 120.755 120.500 0.198 0.000 2.096 65 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 65 R C 1.783 178.077 176.300 -0.010 0.000 1.127 65 R CA 1.500 57.653 56.100 0.087 0.000 0.968 65 R CB -0.358 30.011 30.300 0.114 0.000 0.861 65 R HN 0.420 nan 8.270 nan 0.000 0.440 66 D N 0.227 120.636 120.400 0.015 0.000 2.084 66 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 66 D C 2.027 178.312 176.300 -0.024 0.000 0.990 66 D CA 1.136 55.143 54.000 0.011 0.000 0.826 66 D CB -0.358 40.475 40.800 0.055 0.000 0.971 66 D HN -0.005 nan 8.370 nan 0.000 0.453 67 V N 1.316 121.196 119.914 -0.057 0.000 2.332 67 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 67 V C 2.502 178.524 176.094 -0.121 0.000 1.055 67 V CA 1.194 63.440 62.300 -0.090 0.000 1.038 67 V CB -0.538 31.191 31.823 -0.157 0.000 0.651 67 V HN 0.132 nan 8.190 nan 0.000 0.450 68 L N 0.525 121.610 121.223 -0.231 0.000 2.042 68 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 68 L C 2.405 179.211 176.870 -0.105 0.000 1.076 68 L CA 2.278 56.986 54.840 -0.221 0.000 0.749 68 L CB -0.892 40.974 42.059 -0.321 0.000 0.893 68 L HN 0.279 nan 8.230 nan 0.000 0.432 69 K N -0.419 119.939 120.400 -0.070 0.000 2.032 69 K HA -0.220 4.099 4.320 -0.000 0.000 0.209 69 K C 1.928 178.512 176.600 -0.026 0.000 1.048 69 K CA 1.983 58.249 56.287 -0.036 0.000 0.927 69 K CB -0.157 32.332 32.500 -0.017 0.000 0.712 69 K HN 0.546 nan 8.250 nan 0.000 0.441 70 E N 0.213 120.402 120.200 -0.018 0.000 2.110 70 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 70 E C 2.111 178.709 176.600 -0.005 0.000 0.988 70 E CA 1.554 57.953 56.400 -0.001 0.000 0.804 70 E CB -0.118 29.592 29.700 0.016 0.000 0.745 70 E HN 0.379 nan 8.360 nan 0.000 0.458 71 M N 0.696 120.290 119.600 -0.011 0.000 2.117 71 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 71 M C 2.172 178.445 176.300 -0.046 0.000 1.065 71 M CA 1.455 56.740 55.300 -0.025 0.000 1.114 71 M CB -0.164 32.420 32.600 -0.028 0.000 1.361 71 M HN -0.042 nan 8.290 nan 0.000 0.408 72 K N 0.386 120.758 120.400 -0.046 0.000 2.057 72 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 72 K C 2.147 178.731 176.600 -0.027 0.000 1.049 72 K CA 1.464 57.727 56.287 -0.040 0.000 0.931 72 K CB -0.349 32.129 32.500 -0.036 0.000 0.714 72 K HN 0.307 nan 8.250 nan 0.000 0.440 73 A N 2.175 124.983 122.820 -0.020 0.000 1.873 73 A HA -0.227 4.092 4.320 -0.000 0.000 0.218 73 A C 2.044 179.617 177.584 -0.017 0.000 1.193 73 A CA 1.627 53.656 52.037 -0.014 0.000 0.629 73 A CB -0.335 18.661 19.000 -0.007 0.000 0.826 73 A HN 0.086 nan 8.150 nan 0.000 0.447 74 K N -0.380 120.006 120.400 -0.024 0.000 2.063 74 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 74 K C 2.297 178.874 176.600 -0.039 0.000 1.048 74 K CA 1.397 57.664 56.287 -0.033 0.000 0.928 74 K CB -0.784 31.687 32.500 -0.048 0.000 0.713 74 K HN 0.472 nan 8.250 nan 0.000 0.442 75 A N 0.886 123.681 122.820 -0.041 0.000 1.940 75 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 75 A C 2.292 179.867 177.584 -0.015 0.000 1.176 75 A CA 1.991 54.009 52.037 -0.032 0.000 0.631 75 A CB -0.600 18.383 19.000 -0.029 0.000 0.814 75 A HN 0.258 nan 8.150 nan 0.000 0.446 76 S N -0.365 115.328 115.700 -0.012 0.000 2.493 76 S HA -0.126 4.344 4.470 -0.000 0.000 0.243 76 S C 1.877 176.474 174.600 -0.004 0.000 0.991 76 S CA 1.679 59.877 58.200 -0.004 0.000 0.957 76 S CB -0.559 62.639 63.200 -0.003 0.000 0.756 76 S HN 0.914 nan 8.310 nan 0.000 0.521 77 T N -1.277 113.271 114.554 -0.010 0.000 3.107 77 T HA 0.218 4.567 4.350 -0.000 0.000 0.249 77 T C 0.412 175.106 174.700 -0.011 0.000 1.096 77 T CA -0.147 61.947 62.100 -0.010 0.000 1.012 77 T CB -0.163 68.697 68.868 -0.014 0.000 0.977 77 T HN 0.015 nan 8.240 nan 0.000 0.527 78 V N 2.013 121.919 119.914 -0.012 0.000 2.465 78 V HA 0.428 4.548 4.120 -0.000 0.000 0.279 78 V C 0.051 176.143 176.094 -0.002 0.000 1.045 78 V CA -0.985 61.307 62.300 -0.013 0.000 0.938 78 V CB 1.295 33.104 31.823 -0.022 0.000 0.986 78 V HN 0.406 nan 8.190 nan 0.000 0.467 79 K N 3.857 124.255 120.400 -0.002 0.000 2.274 79 K HA 0.783 5.103 4.320 -0.000 0.000 0.262 79 K C -0.559 176.045 176.600 0.006 0.000 0.961 79 K CA -0.335 55.955 56.287 0.006 0.000 0.833 79 K CB 1.506 34.010 32.500 0.007 0.000 1.102 79 K HN 0.836 nan 8.250 nan 0.000 0.436 80 A N 3.731 126.559 122.820 0.013 0.000 2.386 80 A HA 0.729 5.049 4.320 -0.000 0.000 0.308 80 A C -1.450 176.151 177.584 0.027 0.000 1.128 80 A CA -0.917 51.128 52.037 0.014 0.000 0.789 80 A CB 1.260 20.263 19.000 0.005 0.000 1.325 80 A HN 0.705 nan 8.150 nan 0.000 0.437 81 K N 0.147 120.567 120.400 0.033 0.000 2.385 81 K HA 0.672 4.992 4.320 -0.000 0.000 0.248 81 K C -1.034 175.595 176.600 0.048 0.000 0.955 81 K CA -0.430 55.880 56.287 0.038 0.000 0.816 81 K CB 1.674 34.191 32.500 0.029 0.000 1.250 81 K HN 0.545 nan 8.250 nan 0.000 0.434 82 L N 1.632 122.881 121.223 0.042 0.000 2.467 82 L HA 0.180 4.520 4.340 -0.000 0.000 0.270 82 L C -0.382 176.479 176.870 -0.015 0.000 1.205 82 L CA -0.529 54.326 54.840 0.025 0.000 0.828 82 L CB 0.215 42.278 42.059 0.005 0.000 1.101 82 L HN 0.331 nan 8.230 nan 0.000 0.479 83 L N 1.678 122.875 121.223 -0.044 0.000 2.325 83 L HA 0.299 4.639 4.340 -0.000 0.000 0.279 83 L C 0.317 177.097 176.870 -0.150 0.000 1.054 83 L CA 0.283 55.082 54.840 -0.067 0.000 0.804 83 L CB 1.654 43.681 42.059 -0.053 0.000 1.200 83 L HN 0.726 nan 8.230 nan 0.000 0.436 84 S N 2.036 117.659 115.700 -0.129 0.000 2.593 84 S HA 0.192 4.662 4.470 -0.000 0.000 0.269 84 S C 1.354 175.844 174.600 -0.184 0.000 1.334 84 S CA -0.693 57.414 58.200 -0.155 0.000 1.015 84 S CB 0.963 64.102 63.200 -0.102 0.000 0.912 84 S HN 0.377 nan 8.310 nan 0.000 0.541 85 V N 1.515 121.303 119.914 -0.210 0.000 2.324 85 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 85 V C 2.763 178.757 176.094 -0.166 0.000 1.060 85 V CA 2.539 64.704 62.300 -0.226 0.000 1.042 85 V CB -1.251 30.409 31.823 -0.272 0.000 0.650 85 V HN 1.060 nan 8.190 nan 0.000 0.450 86 E N -0.030 120.093 120.200 -0.129 0.000 2.051 86 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 86 E C 2.204 178.740 176.600 -0.107 0.000 0.991 86 E CA 1.655 57.993 56.400 -0.103 0.000 0.799 86 E CB -0.129 29.525 29.700 -0.077 0.000 0.748 86 E HN 0.714 nan 8.360 nan 0.000 0.449 87 E N 0.176 120.310 120.200 -0.110 0.000 2.058 87 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 87 E C 2.082 178.585 176.600 -0.161 0.000 0.997 87 E CA 1.043 57.372 56.400 -0.119 0.000 0.801 87 E CB -0.217 29.420 29.700 -0.105 0.000 0.746 87 E HN 0.385 nan 8.360 nan 0.000 0.450 88 A N 0.849 123.569 122.820 -0.167 0.000 1.883 88 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 88 A C 2.463 179.954 177.584 -0.156 0.000 1.186 88 A CA 1.482 53.411 52.037 -0.179 0.000 0.624 88 A CB -1.023 17.888 19.000 -0.147 0.000 0.822 88 A HN 0.400 nan 8.150 nan 0.000 0.444 89 C N -0.818 118.403 119.300 -0.131 0.000 2.413 89 C HA -0.099 4.360 4.460 -0.000 0.000 0.276 89 C C 2.688 177.612 174.990 -0.110 0.000 1.248 89 C CA 1.425 60.377 59.018 -0.110 0.000 1.742 89 C CB -1.046 26.632 27.740 -0.103 0.000 2.017 89 C HN 0.701 nan 8.230 nan 0.000 0.481 90 K N 0.347 120.682 120.400 -0.107 0.000 2.209 90 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 90 K C 1.637 178.193 176.600 -0.073 0.000 1.048 90 K CA 1.119 57.358 56.287 -0.080 0.000 0.940 90 K CB -0.153 32.305 32.500 -0.070 0.000 0.729 90 K HN 0.497 nan 8.250 nan 0.000 0.451 91 L N 0.653 121.788 121.223 -0.147 0.000 2.478 91 L HA -0.018 4.322 4.340 -0.000 0.000 0.223 91 L C 0.584 177.365 176.870 -0.148 0.000 1.140 91 L CA 0.214 54.941 54.840 -0.189 0.000 0.842 91 L CB -0.111 41.714 42.059 -0.390 0.000 0.953 91 L HN -0.002 nan 8.230 nan 0.000 0.452 92 T N 2.181 116.651 114.554 -0.140 0.000 2.853 92 T HA 0.129 4.479 4.350 -0.000 0.000 0.298 92 T C -2.273 172.285 174.700 -0.235 0.000 0.978 92 T CA -0.903 61.106 62.100 -0.152 0.000 1.152 92 T CB 0.654 69.446 68.868 -0.125 0.000 0.914 92 T HN -0.094 nan 8.240 nan 0.000 0.539 93 P HA 0.153 nan 4.420 nan 0.000 0.268 93 P C -1.861 175.138 177.300 -0.502 0.000 1.204 93 P CA -1.545 61.300 63.100 -0.425 0.000 0.768 93 P CB 0.175 31.755 31.700 -0.201 0.000 0.842 94 P HA -0.199 nan 4.420 nan 0.000 0.218 94 P C 0.660 177.511 177.300 -0.748 0.000 1.150 94 P CA 1.856 64.523 63.100 -0.722 0.000 0.841 94 P CB -0.182 31.017 31.700 -0.837 0.000 0.784 95 H N -2.366 116.595 119.070 -0.183 0.000 2.486 95 H HA 0.272 4.828 4.556 -0.000 0.000 0.284 95 H C 0.520 175.778 175.328 -0.117 0.000 1.103 95 H CA -0.385 55.593 56.048 -0.117 0.000 1.089 95 H CB -0.016 29.699 29.762 -0.079 0.000 1.603 95 H HN 0.053 nan 8.280 nan 0.000 0.557 96 S N 0.992 116.637 115.700 -0.091 0.000 2.566 96 S HA 0.266 4.736 4.470 -0.000 0.000 0.280 96 S C 0.753 175.307 174.600 -0.077 0.000 1.343 96 S CA -0.363 57.778 58.200 -0.100 0.000 1.036 96 S CB 0.421 63.550 63.200 -0.117 0.000 0.866 96 S HN 0.522 nan 8.310 nan 0.000 0.526 97 A N 3.862 126.617 122.820 -0.108 0.000 2.565 97 A HA 0.246 4.565 4.320 -0.000 0.000 0.237 97 A C 0.544 178.095 177.584 -0.054 0.000 1.053 97 A CA -0.004 51.993 52.037 -0.066 0.000 0.755 97 A CB -0.228 18.740 19.000 -0.053 0.000 0.980 97 A HN 0.863 nan 8.150 nan 0.000 0.506 98 K N 2.051 122.410 120.400 -0.068 0.000 2.180 98 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 98 K C 0.406 176.868 176.600 -0.229 0.000 1.014 98 K CA -0.009 56.195 56.287 -0.138 0.000 0.913 98 K CB 0.520 32.945 32.500 -0.125 0.000 1.008 98 K HN 0.475 nan 8.250 nan 0.000 0.490 99 S N -0.350 115.074 115.700 -0.461 0.000 2.614 99 S HA 0.048 4.518 4.470 -0.000 0.000 0.265 99 S C 0.668 174.925 174.600 -0.572 0.000 1.303 99 S CA -0.615 57.222 58.200 -0.604 0.000 1.000 99 S CB 0.541 62.992 63.200 -1.248 0.000 0.935 99 S HN 0.773 nan 8.310 nan 0.000 0.551 100 K N 1.204 121.177 120.400 -0.712 0.000 2.444 100 K HA 0.060 4.380 4.320 -0.000 0.000 0.193 100 K C -0.397 175.733 176.600 -0.784 0.000 1.024 100 K CA 0.554 56.420 56.287 -0.701 0.000 1.077 100 K CB -0.168 31.904 32.500 -0.714 0.000 0.833 100 K HN 0.611 nan 8.250 nan 0.000 0.517 101 Y N 1.554 121.679 120.300 -0.293 0.000 2.867 101 Y HA 0.328 4.878 4.550 -0.000 0.000 0.351 101 Y C 0.905 176.701 175.900 -0.173 0.000 1.046 101 Y CA -0.756 57.197 58.100 -0.244 0.000 1.520 101 Y CB 0.291 38.556 38.460 -0.324 0.000 1.337 101 Y HN 0.327 nan 8.280 nan 0.000 0.525 102 G N 0.787 109.544 108.800 -0.071 0.000 2.225 102 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 102 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 102 G C -0.517 174.478 174.900 0.159 0.000 1.060 102 G CA 0.348 45.474 45.100 0.045 0.000 0.833 102 G HN 0.638 nan 8.290 nan 0.000 0.498 103 Y N -3.405 116.874 120.300 -0.035 0.000 2.620 103 Y HA 0.680 5.229 4.550 -0.000 0.000 0.331 103 Y C 0.216 176.102 175.900 -0.023 0.000 1.173 103 Y CA -0.910 57.183 58.100 -0.012 0.000 1.076 103 Y CB 0.389 38.860 38.460 0.019 0.000 1.336 103 Y HN 0.849 nan 8.280 nan 0.000 0.459 104 G N 0.144 109.005 108.800 0.102 0.000 3.105 104 G HA2 0.576 4.536 3.960 -0.000 0.000 0.277 104 G HA3 0.576 4.536 3.960 -0.000 0.000 0.277 104 G C 0.271 175.211 174.900 0.067 0.000 1.375 104 G CA -0.717 44.383 45.100 0.001 0.000 0.962 104 G HN 1.282 nan 8.290 nan 0.000 0.541 105 A N -0.138 122.676 122.820 -0.009 0.000 1.892 105 A HA -0.082 4.237 4.320 -0.000 0.000 0.218 105 A C 2.213 179.757 177.584 -0.067 0.000 1.188 105 A CA 2.320 54.326 52.037 -0.052 0.000 0.631 105 A CB -0.623 18.300 19.000 -0.128 0.000 0.822 105 A HN 0.624 nan 8.150 nan 0.000 0.447 106 K N -0.313 120.046 120.400 -0.067 0.000 2.044 106 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 106 K C 1.670 178.254 176.600 -0.028 0.000 1.049 106 K CA 1.625 57.872 56.287 -0.067 0.000 0.927 106 K CB -0.361 32.115 32.500 -0.040 0.000 0.713 106 K HN 0.515 nan 8.250 nan 0.000 0.443 107 D N 0.539 120.955 120.400 0.025 0.000 2.104 107 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 107 D C 2.099 178.404 176.300 0.009 0.000 0.994 107 D CA 1.185 55.210 54.000 0.042 0.000 0.830 107 D CB -0.328 40.550 40.800 0.130 0.000 0.959 107 D HN -0.038 nan 8.370 nan 0.000 0.452 108 V N 1.555 121.491 119.914 0.037 0.000 2.255 108 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 108 V C 2.496 178.557 176.094 -0.055 0.000 1.051 108 V CA 1.711 64.006 62.300 -0.009 0.000 1.018 108 V CB -0.425 31.419 31.823 0.036 0.000 0.641 108 V HN 0.154 nan 8.190 nan 0.000 0.445 109 R N 0.067 120.525 120.500 -0.070 0.000 2.152 109 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 109 R C 1.915 178.172 176.300 -0.071 0.000 1.117 109 R CA 1.689 57.735 56.100 -0.090 0.000 0.981 109 R CB -0.464 29.757 30.300 -0.131 0.000 0.870 109 R HN 0.637 nan 8.270 nan 0.000 0.451 110 N N 0.430 119.095 118.700 -0.058 0.000 2.446 110 N HA 0.066 4.806 4.740 -0.000 0.000 0.179 110 N C -0.138 175.344 175.510 -0.047 0.000 1.054 110 N CA 0.099 53.121 53.050 -0.046 0.000 0.905 110 N CB 0.260 38.726 38.487 -0.034 0.000 0.973 110 N HN 0.008 nan 8.380 nan 0.000 0.448 111 L N 0.776 121.964 121.223 -0.058 0.000 3.730 111 L HA -0.212 4.128 4.340 -0.000 0.000 0.410 111 L C 0.033 176.867 176.870 -0.061 0.000 1.234 111 L CA -0.431 54.369 54.840 -0.068 0.000 0.911 111 L CB -2.497 39.526 42.059 -0.059 0.000 1.942 111 L HN 0.185 nan 8.230 nan 0.000 0.860 112 S N -1.037 114.629 115.700 -0.057 0.000 2.558 112 S HA 0.225 4.695 4.470 -0.000 0.000 0.288 112 S C 1.529 176.090 174.600 -0.065 0.000 1.318 112 S CA -0.013 58.160 58.200 -0.045 0.000 1.056 112 S CB 1.664 64.849 63.200 -0.024 0.000 0.853 112 S HN 0.534 nan 8.310 nan 0.000 0.505 113 S N 3.216 118.889 115.700 -0.045 0.000 2.383 113 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 113 S C 1.875 176.429 174.600 -0.076 0.000 1.030 113 S CA 1.078 59.248 58.200 -0.050 0.000 1.002 113 S CB -0.709 62.473 63.200 -0.030 0.000 0.829 113 S HN 0.915 nan 8.310 nan 0.000 0.467 114 R N 2.021 122.488 120.500 -0.056 0.000 2.083 114 R HA -0.031 4.309 4.340 -0.000 0.000 0.237 114 R C 2.429 178.639 176.300 -0.151 0.000 1.137 114 R CA 1.545 57.627 56.100 -0.030 0.000 0.951 114 R CB -1.054 29.289 30.300 0.072 0.000 0.851 114 R HN 0.454 nan 8.270 nan 0.000 0.434 115 A N 0.481 123.089 122.820 -0.354 0.000 1.865 115 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 115 A C 2.369 179.687 177.584 -0.442 0.000 1.191 115 A CA 1.865 53.436 52.037 -0.776 0.000 0.623 115 A CB -0.856 17.887 19.000 -0.429 0.000 0.826 115 A HN 0.238 nan 8.150 nan 0.000 0.444 116 V N 1.051 120.806 119.914 -0.264 0.000 2.332 116 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 116 V C 2.357 178.332 176.094 -0.198 0.000 1.055 116 V CA 2.207 64.358 62.300 -0.248 0.000 1.038 116 V CB -1.124 30.606 31.823 -0.154 0.000 0.651 116 V HN 0.554 nan 8.190 nan 0.000 0.450 117 N N -0.003 118.621 118.700 -0.127 0.000 2.061 117 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 117 N C 1.752 177.151 175.510 -0.185 0.000 1.030 117 N CA 2.016 54.997 53.050 -0.115 0.000 0.856 117 N CB -0.574 37.758 38.487 -0.257 0.000 1.023 117 N HN 0.658 nan 8.380 nan 0.000 0.424 118 H N 0.066 119.069 119.070 -0.110 0.000 2.387 118 H HA 0.036 4.591 4.556 -0.000 0.000 0.299 118 H C 1.795 177.114 175.328 -0.015 0.000 1.090 118 H CA 0.800 56.818 56.048 -0.050 0.000 1.332 118 H CB 0.101 29.841 29.762 -0.037 0.000 1.386 118 H HN 0.108 nan 8.280 nan 0.000 0.516 119 I N 0.421 120.987 120.570 -0.006 0.000 2.163 119 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 119 I C 2.149 178.268 176.117 0.002 0.000 1.085 119 I CA 1.533 62.813 61.300 -0.032 0.000 1.347 119 I CB -1.204 36.671 38.000 -0.209 0.000 1.044 119 I HN 0.445 nan 8.210 nan 0.000 0.408 120 H N 0.791 119.887 119.070 0.043 0.000 2.319 120 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 120 H C 2.488 177.887 175.328 0.117 0.000 1.092 120 H CA 1.743 57.835 56.048 0.073 0.000 1.302 120 H CB -0.342 29.420 29.762 0.001 0.000 1.373 120 H HN 0.259 nan 8.280 nan 0.000 0.497 121 S N 0.196 116.006 115.700 0.183 0.000 2.359 121 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 121 S C 2.617 177.288 174.600 0.118 0.000 1.035 121 S CA 1.263 59.529 58.200 0.110 0.000 1.018 121 S CB -0.490 62.734 63.200 0.039 0.000 0.876 121 S HN 0.124 nan 8.310 nan 0.000 0.448 122 V N 1.245 121.246 119.914 0.145 0.000 2.295 122 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 122 V C 1.975 178.158 176.094 0.148 0.000 1.049 122 V CA 1.621 63.998 62.300 0.129 0.000 1.024 122 V CB -0.773 31.148 31.823 0.165 0.000 0.648 122 V HN 0.686 nan 8.190 nan 0.000 0.447 123 W N 1.437 122.760 121.300 0.039 0.000 2.333 123 W HA -0.280 4.380 4.660 -0.000 0.000 0.316 123 W C 2.591 179.132 176.519 0.036 0.000 1.215 123 W CA 2.495 59.864 57.345 0.040 0.000 1.278 123 W CB -0.226 29.270 29.460 0.058 0.000 1.154 123 W HN 0.246 nan 8.180 nan 0.000 0.486 124 K N 0.465 120.966 120.400 0.169 0.000 2.074 124 K HA -0.291 4.029 4.320 -0.000 0.000 0.209 124 K C 1.768 178.332 176.600 -0.061 0.000 1.048 124 K CA 2.399 58.713 56.287 0.044 0.000 0.926 124 K CB -0.639 31.917 32.500 0.093 0.000 0.713 124 K HN 0.031 nan 8.250 nan 0.000 0.444 125 D N 0.019 120.396 120.400 -0.039 0.000 2.144 125 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 125 D C 1.927 178.157 176.300 -0.118 0.000 0.978 125 D CA 0.859 54.822 54.000 -0.061 0.000 0.833 125 D CB 0.090 40.871 40.800 -0.032 0.000 0.961 125 D HN 0.220 nan 8.370 nan 0.000 0.470 126 L N -0.103 121.008 121.223 -0.187 0.000 2.083 126 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 126 L C 2.440 179.135 176.870 -0.292 0.000 1.083 126 L CA 0.687 55.370 54.840 -0.262 0.000 0.752 126 L CB -0.353 41.468 42.059 -0.395 0.000 0.899 126 L HN 0.211 nan 8.230 nan 0.000 0.433 127 L N -0.736 120.276 121.223 -0.352 0.000 2.056 127 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 127 L C 2.506 179.290 176.870 -0.144 0.000 1.078 127 L CA 1.341 56.024 54.840 -0.262 0.000 0.749 127 L CB -0.529 41.382 42.059 -0.247 0.000 0.901 127 L HN 0.296 nan 8.230 nan 0.000 0.433 128 E N -0.781 119.352 120.200 -0.112 0.000 2.107 128 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 128 E C 0.431 176.992 176.600 -0.064 0.000 0.982 128 E CA 0.509 56.867 56.400 -0.070 0.000 0.809 128 E CB 0.119 29.789 29.700 -0.051 0.000 0.756 128 E HN 0.255 nan 8.360 nan 0.000 0.459 129 D N 0.417 120.772 120.400 -0.074 0.000 2.344 129 D HA 0.059 4.699 4.640 -0.000 0.000 0.239 129 D C -0.434 175.823 176.300 -0.071 0.000 1.064 129 D CA -0.278 53.686 54.000 -0.060 0.000 0.829 129 D CB 1.467 42.237 40.800 -0.051 0.000 1.129 129 D HN -0.044 nan 8.370 nan 0.000 0.506 130 T N 0.784 115.304 114.554 -0.057 0.000 3.355 130 T HA 0.306 4.656 4.350 -0.000 0.000 0.276 130 T C 0.477 175.153 174.700 -0.040 0.000 1.003 130 T CA -0.373 61.692 62.100 -0.058 0.000 0.943 130 T CB 0.221 69.059 68.868 -0.050 0.000 1.158 130 T HN 0.168 nan 8.240 nan 0.000 0.513 131 V N -0.005 119.888 119.914 -0.035 0.000 3.110 131 V HA 0.231 4.351 4.120 -0.000 0.000 0.233 131 V C 0.242 176.328 176.094 -0.013 0.000 1.550 131 V CA 0.439 62.726 62.300 -0.021 0.000 1.186 131 V CB 0.505 32.318 31.823 -0.017 0.000 1.052 131 V HN 0.572 nan 8.190 nan 0.000 0.452 132 T N 5.131 119.675 114.554 -0.016 0.000 2.793 132 T HA 0.206 4.556 4.350 -0.000 0.000 0.289 132 T C -2.545 172.154 174.700 -0.002 0.000 0.956 132 T CA -0.324 61.774 62.100 -0.004 0.000 1.177 132 T CB 0.672 69.536 68.868 -0.007 0.000 0.897 132 T HN 0.319 nan 8.240 nan 0.000 0.533 133 P HA 0.106 nan 4.420 nan 0.000 0.262 133 P C -0.101 177.193 177.300 -0.010 0.000 1.182 133 P CA 0.032 63.144 63.100 0.019 0.000 0.761 133 P CB 0.282 32.037 31.700 0.091 0.000 0.795 134 I N 2.463 123.008 120.570 -0.041 0.000 2.428 134 I HA 0.118 4.288 4.170 -0.000 0.000 0.289 134 I C 1.045 177.131 176.117 -0.052 0.000 1.019 134 I CA -0.395 60.883 61.300 -0.037 0.000 1.351 134 I CB 0.670 38.640 38.000 -0.049 0.000 1.412 134 I HN 0.328 nan 8.210 nan 0.000 0.513 135 D N 4.256 124.637 120.400 -0.032 0.000 2.423 135 D HA 0.187 4.826 4.640 -0.000 0.000 0.238 135 D C -0.403 175.840 176.300 -0.094 0.000 1.142 135 D CA 0.305 54.271 54.000 -0.057 0.000 0.884 135 D CB 0.790 41.575 40.800 -0.026 0.000 1.199 135 D HN 0.622 nan 8.370 nan 0.000 0.438 136 T N -0.844 113.626 114.554 -0.140 0.000 2.903 136 T HA 0.581 4.931 4.350 -0.000 0.000 0.299 136 T C -0.496 174.027 174.700 -0.295 0.000 1.093 136 T CA -1.008 60.967 62.100 -0.210 0.000 1.002 136 T CB 1.556 70.326 68.868 -0.163 0.000 1.127 136 T HN 0.220 nan 8.240 nan 0.000 0.488 137 T N 2.330 116.545 114.554 -0.565 0.000 2.795 137 T HA 0.591 4.941 4.350 -0.000 0.000 0.282 137 T C -0.342 174.071 174.700 -0.479 0.000 0.980 137 T CA -0.594 61.167 62.100 -0.565 0.000 1.012 137 T CB 0.781 69.178 68.868 -0.784 0.000 0.936 137 T HN 0.730 nan 8.240 nan 0.000 0.457 138 I N 4.156 124.622 120.570 -0.173 0.000 2.377 138 I HA 0.527 4.697 4.170 -0.000 0.000 0.293 138 I C -0.898 175.246 176.117 0.046 0.000 0.987 138 I CA -0.765 60.522 61.300 -0.021 0.000 1.185 138 I CB 0.648 38.680 38.000 0.054 0.000 1.341 138 I HN 0.411 nan 8.210 nan 0.000 0.455 139 M N 6.273 125.953 119.600 0.133 0.000 2.619 139 M HA 0.511 4.991 4.480 -0.000 0.000 0.297 139 M C -0.638 175.724 176.300 0.104 0.000 1.229 139 M CA -0.654 54.727 55.300 0.134 0.000 0.860 139 M CB 1.856 34.592 32.600 0.226 0.000 1.741 139 M HN 0.591 nan 8.290 nan 0.000 0.462 140 A N 2.247 125.107 122.820 0.067 0.000 2.276 140 A HA 0.450 4.770 4.320 -0.000 0.000 0.300 140 A C 0.124 177.741 177.584 0.056 0.000 1.235 140 A CA -0.527 51.541 52.037 0.051 0.000 0.867 140 A CB 0.303 19.319 19.000 0.026 0.000 1.137 140 A HN 0.719 nan 8.150 nan 0.000 0.527 141 K N 1.895 122.332 120.400 0.062 0.000 2.469 141 K HA 0.031 4.351 4.320 -0.000 0.000 0.274 141 K C -0.632 175.979 176.600 0.018 0.000 0.983 141 K CA 0.099 56.412 56.287 0.042 0.000 0.974 141 K CB 0.328 32.863 32.500 0.058 0.000 0.913 141 K HN 0.640 nan 8.250 nan 0.000 0.493 142 N N 3.443 122.126 118.700 -0.028 0.000 2.816 142 N HA 0.151 4.891 4.740 -0.000 0.000 0.236 142 N C -0.961 174.435 175.510 -0.190 0.000 1.076 142 N CA -0.148 52.853 53.050 -0.082 0.000 0.902 142 N CB 0.975 39.417 38.487 -0.075 0.000 1.149 142 N HN 0.440 nan 8.380 nan 0.000 0.506 143 E N 0.085 120.157 120.200 -0.214 0.000 2.221 143 E HA 0.492 4.842 4.350 -0.000 0.000 0.268 143 E C -0.475 175.689 176.600 -0.727 0.000 0.933 143 E CA -0.923 55.209 56.400 -0.447 0.000 0.809 143 E CB 2.424 31.886 29.700 -0.397 0.000 1.190 143 E HN 0.020 nan 8.360 nan 0.000 0.406 144 V N 3.106 122.461 119.914 -0.931 0.000 2.539 144 V HA 0.456 4.576 4.120 -0.000 0.000 0.292 144 V C -0.737 174.697 176.094 -1.101 0.000 1.045 144 V CA -0.177 61.572 62.300 -0.918 0.000 0.945 144 V CB 0.311 31.702 31.823 -0.720 0.000 0.993 144 V HN 0.511 nan 8.190 nan 0.000 0.464 145 F N 1.947 121.503 119.950 -0.656 0.000 2.692 145 F HA 0.634 5.161 4.527 -0.000 0.000 0.320 145 F C -0.001 175.549 175.800 -0.418 0.000 1.123 145 F CA -0.719 56.970 58.000 -0.519 0.000 0.961 145 F CB 1.346 40.013 39.000 -0.555 0.000 1.383 145 F HN 0.555 nan 8.300 nan 0.000 0.483 146 C N 1.401 120.765 119.300 0.107 0.000 2.435 146 C HA 0.827 5.287 4.460 -0.000 0.000 0.333 146 C C -0.187 174.997 174.990 0.324 0.000 1.202 146 C CA -0.559 58.569 59.018 0.184 0.000 1.830 146 C CB 0.665 28.476 27.740 0.119 0.000 2.326 146 C HN 0.568 nan 8.230 nan 0.000 0.507 147 V N 5.475 125.605 119.914 0.359 0.000 2.788 147 V HA 0.097 4.217 4.120 -0.000 0.000 0.307 147 V C 0.304 176.483 176.094 0.141 0.000 1.069 147 V CA 0.871 63.326 62.300 0.259 0.000 1.173 147 V CB 0.811 32.716 31.823 0.137 0.000 0.925 147 V HN 0.915 nan 8.190 nan 0.000 0.492 148 Q N 6.178 126.033 119.800 0.090 0.000 2.508 148 Q HA 0.273 4.613 4.340 -0.000 0.000 0.247 148 Q C -1.830 174.179 176.000 0.015 0.000 1.047 148 Q CA -1.621 54.207 55.803 0.042 0.000 0.783 148 Q CB 1.520 30.272 28.738 0.023 0.000 1.172 148 Q HN 0.504 nan 8.270 nan 0.000 0.515 149 P HA -0.281 nan 4.420 nan 0.000 0.216 149 P C 1.211 178.507 177.300 -0.006 0.000 1.153 149 P CA 1.286 64.385 63.100 -0.002 0.000 0.858 149 P CB 0.242 31.941 31.700 -0.002 0.000 0.789 150 E N 0.483 120.680 120.200 -0.004 0.000 2.209 150 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 150 E C 1.287 177.880 176.600 -0.011 0.000 0.993 150 E CA 1.344 57.740 56.400 -0.007 0.000 0.819 150 E CB -0.646 29.051 29.700 -0.006 0.000 0.745 150 E HN 0.154 nan 8.360 nan 0.000 0.477 151 K N -0.059 120.334 120.400 -0.013 0.000 2.366 151 K HA 0.047 4.367 4.320 -0.000 0.000 0.198 151 K C 1.647 178.234 176.600 -0.022 0.000 1.044 151 K CA 0.968 57.243 56.287 -0.019 0.000 0.973 151 K CB -0.011 32.475 32.500 -0.023 0.000 0.767 151 K HN 0.446 nan 8.250 nan 0.000 0.475 152 G N 0.110 108.897 108.800 -0.022 0.000 2.268 152 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.240 152 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.240 152 G C 0.478 175.357 174.900 -0.035 0.000 1.010 152 G CA 0.318 45.403 45.100 -0.026 0.000 0.618 152 G HN 0.720 nan 8.290 nan 0.000 0.516 153 G N -1.138 107.637 108.800 -0.042 0.000 2.600 153 G HA2 0.655 4.614 3.960 -0.000 0.000 0.293 153 G HA3 0.655 4.614 3.960 -0.000 0.000 0.293 153 G C -0.728 174.125 174.900 -0.078 0.000 1.408 153 G CA -0.513 44.550 45.100 -0.063 0.000 0.782 153 G HN 0.438 nan 8.290 nan 0.000 0.482 154 R N -0.279 120.142 120.500 -0.130 0.000 2.553 154 R HA 0.455 4.795 4.340 -0.000 0.000 0.263 154 R C -0.289 175.971 176.300 -0.067 0.000 1.066 154 R CA -0.647 55.351 56.100 -0.170 0.000 1.135 154 R CB 1.019 31.011 30.300 -0.513 0.000 1.148 154 R HN 0.342 nan 8.270 nan 0.000 0.558 155 K N 2.298 122.716 120.400 0.030 0.000 2.249 155 K HA 0.211 4.531 4.320 -0.000 0.000 0.280 155 K C -2.113 174.522 176.600 0.058 0.000 1.033 155 K CA -1.396 54.877 56.287 -0.024 0.000 0.946 155 K CB 0.546 32.901 32.500 -0.241 0.000 1.005 155 K HN 0.322 nan 8.250 nan 0.000 0.469 156 P HA 0.063 nan 4.420 nan 0.000 0.274 156 P C -0.899 176.451 177.300 0.084 0.000 1.246 156 P CA -0.591 62.538 63.100 0.048 0.000 0.795 156 P CB 0.651 32.360 31.700 0.014 0.000 1.006 157 A N 2.529 125.401 122.820 0.086 0.000 2.498 157 A HA 0.131 4.451 4.320 -0.000 0.000 0.239 157 A C 0.743 178.377 177.584 0.085 0.000 1.068 157 A CA -0.082 52.015 52.037 0.099 0.000 0.766 157 A CB -0.245 18.796 19.000 0.067 0.000 1.003 157 A HN 0.382 nan 8.150 nan 0.000 0.497 158 R N 0.803 121.369 120.500 0.109 0.000 2.577 158 R HA 0.469 4.809 4.340 -0.000 0.000 0.269 158 R C -0.577 175.779 176.300 0.094 0.000 1.084 158 R CA -0.341 55.822 56.100 0.106 0.000 1.163 158 R CB 0.414 30.793 30.300 0.132 0.000 1.100 158 R HN 0.682 nan 8.270 nan 0.000 0.547 159 L N 1.721 123.005 121.223 0.102 0.000 2.331 159 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 159 L C -0.184 176.774 176.870 0.146 0.000 1.022 159 L CA -1.009 53.892 54.840 0.102 0.000 0.812 159 L CB 1.319 43.421 42.059 0.072 0.000 1.257 159 L HN 0.402 nan 8.230 nan 0.000 0.435 160 I N 2.376 123.048 120.570 0.170 0.000 2.447 160 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 160 I C -0.900 175.396 176.117 0.299 0.000 1.023 160 I CA -0.308 61.131 61.300 0.231 0.000 1.083 160 I CB 1.826 39.957 38.000 0.218 0.000 1.245 160 I HN 0.182 nan 8.210 nan 0.000 0.434 161 V N 8.928 129.010 119.914 0.281 0.000 2.384 161 V HA 0.606 4.726 4.120 -0.000 0.000 0.287 161 V C -0.642 175.606 176.094 0.258 0.000 1.020 161 V CA -0.459 61.951 62.300 0.184 0.000 0.850 161 V CB 1.021 32.933 31.823 0.148 0.000 0.987 161 V HN 0.596 nan 8.190 nan 0.000 0.436 162 F N 4.914 124.898 119.950 0.058 0.000 2.631 162 F HA 0.942 5.469 4.527 -0.000 0.000 0.308 162 F C -3.061 172.761 175.800 0.036 0.000 1.097 162 F CA -2.833 55.200 58.000 0.054 0.000 0.952 162 F CB 1.549 40.577 39.000 0.046 0.000 1.307 162 F HN 0.286 nan 8.300 nan 0.000 0.450 163 P HA 0.201 nan 4.420 nan 0.000 0.282 163 P C -1.076 176.304 177.300 0.133 0.000 1.287 163 P CA -0.163 62.972 63.100 0.058 0.000 0.792 163 P CB 1.018 32.764 31.700 0.077 0.000 1.163 164 D N -0.991 119.455 120.400 0.078 0.000 2.378 164 D HA -0.039 4.601 4.640 -0.000 0.000 0.238 164 D C 1.364 177.737 176.300 0.122 0.000 1.180 164 D CA -0.287 53.762 54.000 0.082 0.000 0.895 164 D CB 0.292 41.138 40.800 0.077 0.000 1.192 164 D HN 0.107 nan 8.370 nan 0.000 0.438 165 L N 3.250 124.517 121.223 0.074 0.000 2.051 165 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 165 L C 2.036 178.999 176.870 0.156 0.000 1.076 165 L CA 2.609 57.498 54.840 0.081 0.000 0.758 165 L CB -1.062 40.992 42.059 -0.010 0.000 0.890 165 L HN 0.665 nan 8.230 nan 0.000 0.433 166 G N -1.288 107.647 108.800 0.224 0.000 2.440 166 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 166 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 166 G C 1.505 176.527 174.900 0.203 0.000 1.154 166 G CA 1.108 46.382 45.100 0.290 0.000 0.767 166 G HN 0.367 nan 8.290 nan 0.000 0.552 167 V N 0.814 120.833 119.914 0.176 0.000 2.427 167 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 167 V C 2.903 179.084 176.094 0.145 0.000 1.051 167 V CA 1.818 64.205 62.300 0.144 0.000 1.048 167 V CB -0.479 31.408 31.823 0.107 0.000 0.666 167 V HN 0.326 nan 8.190 nan 0.000 0.456 168 R N -0.104 120.480 120.500 0.140 0.000 2.091 168 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 168 R C 2.257 178.621 176.300 0.108 0.000 1.136 168 R CA 1.528 57.705 56.100 0.128 0.000 0.959 168 R CB -0.723 29.642 30.300 0.108 0.000 0.856 168 R HN 0.432 nan 8.270 nan 0.000 0.437 169 V N 0.650 120.620 119.914 0.094 0.000 2.343 169 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 169 V C 2.553 178.694 176.094 0.080 0.000 1.051 169 V CA 1.623 63.954 62.300 0.052 0.000 1.036 169 V CB -0.519 31.324 31.823 0.034 0.000 0.654 169 V HN 0.446 nan 8.190 nan 0.000 0.451 170 C N -0.234 119.162 119.300 0.160 0.000 2.425 170 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 170 C C 2.667 177.842 174.990 0.309 0.000 1.280 170 C CA 0.831 60.029 59.018 0.301 0.000 1.744 170 C CB -1.020 26.969 27.740 0.415 0.000 1.989 170 C HN 0.615 nan 8.230 nan 0.000 0.491 171 E N 0.875 121.210 120.200 0.225 0.000 2.058 171 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 171 E C 2.159 178.886 176.600 0.212 0.000 0.997 171 E CA 1.339 57.877 56.400 0.230 0.000 0.801 171 E CB -0.140 29.695 29.700 0.226 0.000 0.746 171 E HN 0.643 nan 8.360 nan 0.000 0.450 172 K N 0.298 120.792 120.400 0.157 0.000 2.032 172 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 172 K C 2.239 178.910 176.600 0.117 0.000 1.048 172 K CA 1.523 57.889 56.287 0.132 0.000 0.927 172 K CB -0.159 32.330 32.500 -0.019 0.000 0.712 172 K HN 0.114 nan 8.250 nan 0.000 0.441 173 M N 0.333 119.959 119.600 0.045 0.000 2.082 173 M HA -0.218 4.262 4.480 -0.000 0.000 0.258 173 M C 2.475 178.822 176.300 0.077 0.000 1.069 173 M CA 1.903 57.172 55.300 -0.052 0.000 1.102 173 M CB -0.424 31.974 32.600 -0.336 0.000 1.336 173 M HN 0.278 nan 8.290 nan 0.000 0.404 174 A N -0.395 122.588 122.820 0.271 0.000 1.898 174 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 174 A C 1.910 179.598 177.584 0.173 0.000 1.183 174 A CA 1.235 53.468 52.037 0.327 0.000 0.622 174 A CB -0.364 18.887 19.000 0.418 0.000 0.824 174 A HN 0.478 nan 8.150 nan 0.000 0.444 175 L N -2.894 118.417 121.223 0.147 0.000 2.701 175 L HA 0.169 4.509 4.340 -0.000 0.000 0.238 175 L C 2.026 178.925 176.870 0.049 0.000 1.106 175 L CA 0.054 54.915 54.840 0.034 0.000 0.898 175 L CB -0.091 41.954 42.059 -0.023 0.000 1.188 175 L HN 0.473 nan 8.230 nan 0.000 0.508 176 Y N 1.560 121.875 120.300 0.025 0.000 2.069 176 Y HA -0.390 4.160 4.550 -0.000 0.000 0.278 176 Y C 2.271 178.198 175.900 0.046 0.000 1.175 176 Y CA 2.340 60.469 58.100 0.047 0.000 1.134 176 Y CB -0.042 38.437 38.460 0.032 0.000 0.965 176 Y HN 0.245 nan 8.280 nan 0.000 0.498 177 D N -0.840 119.598 120.400 0.063 0.000 2.117 177 D HA -0.174 4.465 4.640 -0.000 0.000 0.197 177 D C 2.211 178.446 176.300 -0.108 0.000 0.987 177 D CA 1.591 55.574 54.000 -0.028 0.000 0.829 177 D CB -0.261 40.569 40.800 0.050 0.000 0.961 177 D HN 0.251 nan 8.370 nan 0.000 0.460 178 V N 0.538 120.391 119.914 -0.102 0.000 2.255 178 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 178 V C 2.701 178.676 176.094 -0.199 0.000 1.051 178 V CA 1.891 64.104 62.300 -0.144 0.000 1.018 178 V CB -0.869 30.832 31.823 -0.204 0.000 0.641 178 V HN 0.352 nan 8.190 nan 0.000 0.445 179 V N -2.348 117.421 119.914 -0.243 0.000 3.078 179 V HA -0.118 4.002 4.120 -0.000 0.000 0.265 179 V C 2.052 177.982 176.094 -0.273 0.000 1.122 179 V CA 2.109 64.261 62.300 -0.247 0.000 1.141 179 V CB -0.487 31.211 31.823 -0.208 0.000 0.735 179 V HN 0.453 nan 8.190 nan 0.000 0.498 180 S N 1.088 116.620 115.700 -0.280 0.000 2.406 180 S HA -0.054 4.416 4.470 -0.000 0.000 0.224 180 S C 2.007 176.516 174.600 -0.152 0.000 1.030 180 S CA 1.584 59.650 58.200 -0.223 0.000 0.958 180 S CB -0.042 62.986 63.200 -0.287 0.000 0.811 180 S HN 0.944 nan 8.310 nan 0.000 0.489 181 T N -0.334 114.131 114.554 -0.148 0.000 3.038 181 T HA 0.264 4.614 4.350 -0.000 0.000 0.244 181 T C 1.770 176.376 174.700 -0.157 0.000 1.016 181 T CA 0.036 62.064 62.100 -0.119 0.000 1.098 181 T CB -0.625 68.198 68.868 -0.075 0.000 0.954 181 T HN 0.176 nan 8.240 nan 0.000 0.469 182 L N 2.229 123.358 121.223 -0.156 0.000 1.990 182 L HA 0.003 4.343 4.340 -0.000 0.000 0.213 182 L C -0.777 175.935 176.870 -0.264 0.000 1.072 182 L CA 2.010 56.758 54.840 -0.152 0.000 0.755 182 L CB -0.847 41.166 42.059 -0.076 0.000 0.889 182 L HN 0.192 nan 8.230 nan 0.000 0.432 183 P HA -0.226 nan 4.420 nan 0.000 0.215 183 P C 1.329 178.167 177.300 -0.771 0.000 1.157 183 P CA 1.346 64.009 63.100 -0.728 0.000 0.868 183 P CB -0.216 30.733 31.700 -1.250 0.000 0.788 184 Q N 0.067 119.479 119.800 -0.646 0.000 2.124 184 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 184 Q C 2.008 177.879 176.000 -0.214 0.000 0.977 184 Q CA 1.473 57.095 55.803 -0.302 0.000 0.850 184 Q CB -0.726 27.947 28.738 -0.109 0.000 0.901 184 Q HN 0.061 nan 8.270 nan 0.000 0.429 185 V N 0.194 119.990 119.914 -0.197 0.000 2.295 185 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 185 V C 2.529 178.533 176.094 -0.150 0.000 1.049 185 V CA 1.566 63.785 62.300 -0.135 0.000 1.024 185 V CB -0.519 31.240 31.823 -0.106 0.000 0.648 185 V HN 0.150 nan 8.190 nan 0.000 0.447 186 V N -0.887 118.904 119.914 -0.206 0.000 2.453 186 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 186 V C 2.039 177.949 176.094 -0.307 0.000 1.048 186 V CA 2.000 64.169 62.300 -0.218 0.000 1.049 186 V CB -0.434 31.250 31.823 -0.232 0.000 0.672 186 V HN 0.471 nan 8.190 nan 0.000 0.457 187 M N -0.981 118.373 119.600 -0.410 0.000 2.371 187 M HA 0.339 4.819 4.480 -0.000 0.000 0.246 187 M C 1.438 177.623 176.300 -0.192 0.000 1.103 187 M CA 0.664 55.650 55.300 -0.523 0.000 1.010 187 M CB 0.303 32.495 32.600 -0.680 0.000 1.457 187 M HN 0.470 nan 8.290 nan 0.000 0.486 188 G N 1.538 110.262 108.800 -0.127 0.000 2.627 188 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.312 188 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.312 188 G C 0.870 175.745 174.900 -0.041 0.000 1.299 188 G CA 0.899 45.969 45.100 -0.049 0.000 0.989 188 G HN 0.522 nan 8.290 nan 0.000 0.547 189 S N -0.860 114.841 115.700 0.003 0.000 2.419 189 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 189 S C 2.285 176.776 174.600 -0.181 0.000 1.019 189 S CA 2.199 60.364 58.200 -0.058 0.000 0.982 189 S CB -0.401 62.857 63.200 0.097 0.000 0.789 189 S HN 1.185 nan 8.310 nan 0.000 0.490 190 S N 0.253 115.953 115.700 -0.001 0.000 2.474 190 S HA 0.033 4.503 4.470 -0.000 0.000 0.235 190 S C 0.362 174.968 174.600 0.010 0.000 0.997 190 S CA 0.184 58.422 58.200 0.064 0.000 0.949 190 S CB -0.529 62.845 63.200 0.290 0.000 0.766 190 S HN 0.679 nan 8.310 nan 0.000 0.517 191 Y N 3.439 123.610 120.300 -0.215 0.000 2.637 191 Y HA 0.417 4.967 4.550 -0.000 0.000 0.350 191 Y C 1.324 177.020 175.900 -0.340 0.000 1.069 191 Y CA -1.376 56.567 58.100 -0.261 0.000 1.397 191 Y CB -0.211 38.092 38.460 -0.262 0.000 1.163 191 Y HN 0.062 nan 8.280 nan 0.000 0.527 192 G N 4.655 113.018 108.800 -0.729 0.000 2.440 192 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 192 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 192 G C 1.196 175.525 174.900 -0.951 0.000 1.154 192 G CA 0.479 45.146 45.100 -0.722 0.000 0.767 192 G HN 0.657 nan 8.290 nan 0.000 0.552 193 F N 1.648 120.864 119.950 -1.224 0.000 2.546 193 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 193 F C 2.889 178.443 175.800 -0.410 0.000 1.120 193 F CA 1.107 58.522 58.000 -0.974 0.000 1.456 193 F CB -0.249 38.175 39.000 -0.961 0.000 1.088 193 F HN 0.392 nan 8.300 nan 0.000 0.572 194 Q N -0.575 118.966 119.800 -0.430 0.000 2.436 194 Q HA -0.117 4.223 4.340 -0.000 0.000 0.209 194 Q C -0.548 175.324 176.000 -0.215 0.000 0.965 194 Q CA 0.831 56.487 55.803 -0.245 0.000 0.910 194 Q CB -0.382 28.108 28.738 -0.413 0.000 0.980 194 Q HN 0.308 nan 8.270 nan 0.000 0.491 195 Y N 1.776 122.102 120.300 0.044 0.000 2.342 195 Y HA 0.306 4.855 4.550 -0.000 0.000 0.334 195 Y C 0.590 176.405 175.900 -0.143 0.000 1.067 195 Y CA -1.257 56.821 58.100 -0.036 0.000 1.128 195 Y CB 1.477 39.864 38.460 -0.122 0.000 1.200 195 Y HN 0.091 nan 8.280 nan 0.000 0.464 196 S N 2.713 118.211 115.700 -0.337 0.000 2.608 196 S HA 0.211 4.681 4.470 -0.000 0.000 0.261 196 S C -1.948 172.355 174.600 -0.495 0.000 1.314 196 S CA -1.046 56.460 58.200 -1.157 0.000 0.992 196 S CB 1.057 63.611 63.200 -1.077 0.000 0.935 196 S HN 0.427 nan 8.310 nan 0.000 0.564 197 P HA -0.072 nan 4.420 nan 0.000 0.216 197 P C 1.735 178.960 177.300 -0.124 0.000 1.157 197 P CA 1.937 64.927 63.100 -0.184 0.000 0.880 197 P CB -0.646 30.981 31.700 -0.122 0.000 0.791 198 G N -0.361 108.340 108.800 -0.164 0.000 2.418 198 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 198 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 198 G C 1.567 176.407 174.900 -0.099 0.000 1.158 198 G CA 0.705 45.752 45.100 -0.088 0.000 0.771 198 G HN 0.318 nan 8.290 nan 0.000 0.545 199 Q N -0.545 119.179 119.800 -0.127 0.000 2.119 199 Q HA 0.011 4.351 4.340 -0.000 0.000 0.201 199 Q C 2.605 178.450 176.000 -0.258 0.000 0.972 199 Q CA 0.916 56.656 55.803 -0.105 0.000 0.847 199 Q CB -0.129 28.643 28.738 0.057 0.000 0.903 199 Q HN 0.446 nan 8.270 nan 0.000 0.433 200 R N 0.301 120.679 120.500 -0.204 0.000 2.073 200 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 200 R C 2.137 178.339 176.300 -0.164 0.000 1.134 200 R CA 1.342 57.299 56.100 -0.238 0.000 0.952 200 R CB -0.248 30.009 30.300 -0.073 0.000 0.850 200 R HN 0.102 nan 8.270 nan 0.000 0.433 201 V N 1.433 121.277 119.914 -0.118 0.000 2.252 201 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 201 V C 2.385 178.387 176.094 -0.154 0.000 1.056 201 V CA 2.373 64.603 62.300 -0.116 0.000 1.022 201 V CB -0.642 31.148 31.823 -0.055 0.000 0.641 201 V HN 0.527 nan 8.190 nan 0.000 0.445 202 E N -0.478 119.644 120.200 -0.130 0.000 2.038 202 E HA -0.300 4.050 4.350 -0.000 0.000 0.195 202 E C 2.147 178.668 176.600 -0.132 0.000 1.000 202 E CA 1.989 58.314 56.400 -0.124 0.000 0.803 202 E CB -0.296 29.356 29.700 -0.079 0.000 0.750 202 E HN 0.524 nan 8.360 nan 0.000 0.448 203 F N 1.294 121.043 119.950 -0.334 0.000 2.069 203 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 203 F C 2.017 177.685 175.800 -0.220 0.000 1.113 203 F CA 1.579 59.381 58.000 -0.330 0.000 1.214 203 F CB -0.341 38.288 39.000 -0.617 0.000 0.978 203 F HN 0.028 nan 8.300 nan 0.000 0.474 204 L N -0.789 120.307 121.223 -0.212 0.000 2.042 204 L HA -0.244 4.095 4.340 -0.000 0.000 0.210 204 L C 2.367 179.092 176.870 -0.241 0.000 1.076 204 L CA 1.185 55.880 54.840 -0.242 0.000 0.749 204 L CB -0.885 41.077 42.059 -0.161 0.000 0.893 204 L HN 0.035 nan 8.230 nan 0.000 0.432 205 V N -0.096 119.654 119.914 -0.273 0.000 2.307 205 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 205 V C 2.233 178.213 176.094 -0.189 0.000 1.045 205 V CA 1.735 63.856 62.300 -0.299 0.000 1.024 205 V CB -0.649 30.860 31.823 -0.523 0.000 0.651 205 V HN 0.469 nan 8.190 nan 0.000 0.449 206 N N 0.197 118.770 118.700 -0.211 0.000 2.084 206 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 206 N C 1.932 177.328 175.510 -0.189 0.000 1.030 206 N CA 2.046 54.995 53.050 -0.170 0.000 0.849 206 N CB -0.754 37.641 38.487 -0.153 0.000 1.012 206 N HN 0.443 nan 8.380 nan 0.000 0.423 207 T N 0.889 115.249 114.554 -0.323 0.000 2.652 207 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 207 T C 1.513 176.138 174.700 -0.126 0.000 1.039 207 T CA 0.932 62.842 62.100 -0.317 0.000 1.153 207 T CB -0.361 68.173 68.868 -0.557 0.000 0.863 207 T HN 0.422 nan 8.240 nan 0.000 0.428 208 W N 2.171 123.317 121.300 -0.257 0.000 2.335 208 W HA -0.147 4.513 4.660 -0.000 0.000 0.311 208 W C 1.989 178.426 176.519 -0.136 0.000 1.213 208 W CA 1.409 58.649 57.345 -0.176 0.000 1.274 208 W CB -0.245 29.110 29.460 -0.174 0.000 1.148 208 W HN 0.274 nan 8.180 nan 0.000 0.498 209 K N 0.214 120.647 120.400 0.056 0.000 2.280 209 K HA -0.146 4.174 4.320 -0.000 0.000 0.202 209 K C 2.107 178.652 176.600 -0.091 0.000 1.047 209 K CA 1.636 57.911 56.287 -0.020 0.000 0.942 209 K CB -0.330 32.169 32.500 -0.003 0.000 0.739 209 K HN 0.080 nan 8.250 nan 0.000 0.457 210 S N 0.479 116.111 115.700 -0.112 0.000 2.522 210 S HA 0.002 4.472 4.470 -0.000 0.000 0.227 210 S C 0.484 175.002 174.600 -0.137 0.000 0.986 210 S CA 0.256 58.390 58.200 -0.111 0.000 0.929 210 S CB 0.063 63.200 63.200 -0.106 0.000 0.769 210 S HN -0.036 nan 8.310 nan 0.000 0.529 211 K N 1.624 121.900 120.400 -0.207 0.000 2.118 211 K HA 0.344 4.664 4.320 -0.000 0.000 0.267 211 K C 0.694 177.170 176.600 -0.207 0.000 0.991 211 K CA -0.490 55.662 56.287 -0.226 0.000 0.916 211 K CB 1.435 33.733 32.500 -0.335 0.000 1.041 211 K HN 0.130 nan 8.250 nan 0.000 0.455 212 K N 1.330 121.640 120.400 -0.151 0.000 2.031 212 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 212 K C -0.064 176.456 176.600 -0.133 0.000 1.049 212 K CA 1.058 57.275 56.287 -0.116 0.000 0.939 212 K CB 0.299 32.751 32.500 -0.079 0.000 0.717 212 K HN 0.419 nan 8.250 nan 0.000 0.438 213 N N 2.115 120.730 118.700 -0.143 0.000 2.904 213 N HA 0.234 4.974 4.740 -0.000 0.000 0.257 213 N C -2.796 172.601 175.510 -0.189 0.000 1.363 213 N CA -1.210 51.767 53.050 -0.123 0.000 0.856 213 N CB 1.704 40.153 38.487 -0.064 0.000 1.166 213 N HN 0.169 nan 8.380 nan 0.000 0.499 214 P HA 0.137 nan 4.420 nan 0.000 0.271 214 P C -0.181 176.775 177.300 -0.574 0.000 1.216 214 P CA -0.200 62.450 63.100 -0.750 0.000 0.771 214 P CB 1.163 31.859 31.700 -1.672 0.000 0.864 215 M N 2.431 121.782 119.600 -0.415 0.000 2.457 215 M HA 0.676 5.156 4.480 -0.000 0.000 0.300 215 M C -1.143 175.138 176.300 -0.032 0.000 1.141 215 M CA -0.348 54.831 55.300 -0.200 0.000 0.901 215 M CB 2.557 35.083 32.600 -0.123 0.000 1.687 215 M HN 0.546 nan 8.290 nan 0.000 0.449 216 G N 3.589 112.487 108.800 0.164 0.000 2.619 216 G HA2 0.835 4.795 3.960 -0.000 0.000 0.296 216 G HA3 0.835 4.795 3.960 -0.000 0.000 0.296 216 G C -2.003 173.015 174.900 0.196 0.000 1.334 216 G CA -0.610 44.625 45.100 0.225 0.000 0.934 216 G HN 0.823 nan 8.290 nan 0.000 0.476 217 F N -0.352 119.565 119.950 -0.054 0.000 2.665 217 F HA 0.776 5.303 4.527 -0.000 0.000 0.308 217 F C -0.350 175.427 175.800 -0.038 0.000 1.112 217 F CA -1.448 56.508 58.000 -0.072 0.000 0.972 217 F CB 1.353 40.283 39.000 -0.116 0.000 1.295 217 F HN 0.633 nan 8.300 nan 0.000 0.440 218 S N 1.510 117.247 115.700 0.062 0.000 2.565 218 S HA 0.633 5.103 4.470 -0.000 0.000 0.290 218 S C -1.554 173.180 174.600 0.222 0.000 1.150 218 S CA -0.624 57.584 58.200 0.014 0.000 1.058 218 S CB 1.705 64.912 63.200 0.012 0.000 1.032 218 S HN 0.853 nan 8.310 nan 0.000 0.510 219 Y N 1.473 121.837 120.300 0.108 0.000 2.328 219 Y HA 0.451 5.001 4.550 -0.000 0.000 0.337 219 Y C -0.802 175.211 175.900 0.189 0.000 0.966 219 Y CA -0.834 57.413 58.100 0.245 0.000 1.136 219 Y CB 1.298 40.004 38.460 0.411 0.000 1.170 219 Y HN 0.858 nan 8.280 nan 0.000 0.470 220 D N 4.441 124.595 120.400 -0.411 0.000 2.412 220 D HA 0.217 4.857 4.640 -0.000 0.000 0.224 220 D C -0.800 175.297 176.300 -0.338 0.000 1.093 220 D CA -0.136 53.718 54.000 -0.242 0.000 0.850 220 D CB 0.830 41.541 40.800 -0.149 0.000 1.046 220 D HN 0.479 nan 8.370 nan 0.000 0.507 221 T N 3.689 118.253 114.554 0.016 0.000 2.851 221 T HA 0.140 4.490 4.350 -0.000 0.000 0.298 221 T C 0.528 175.317 174.700 0.148 0.000 0.977 221 T CA -0.461 61.754 62.100 0.190 0.000 1.126 221 T CB 0.701 69.900 68.868 0.551 0.000 0.916 221 T HN 0.301 nan 8.240 nan 0.000 0.529 222 R N 2.144 122.694 120.500 0.083 0.000 2.404 222 R HA 0.132 4.472 4.340 -0.000 0.000 0.315 222 R C -0.137 176.267 176.300 0.174 0.000 1.032 222 R CA -0.180 55.964 56.100 0.074 0.000 0.992 222 R CB -0.644 29.643 30.300 -0.021 0.000 0.959 222 R HN 0.962 nan 8.270 nan 0.000 0.428 223 C N 5.308 124.740 119.300 0.221 0.000 3.514 223 C HA -0.162 4.298 4.460 -0.000 0.000 0.286 223 C C 1.345 176.542 174.990 0.346 0.000 1.302 223 C CA 0.040 59.240 59.018 0.302 0.000 2.239 223 C CB -2.981 24.992 27.740 0.388 0.000 1.429 223 C HN 1.010 nan 8.230 nan 0.000 0.565 224 F N 1.837 121.905 119.950 0.195 0.000 2.087 224 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 224 F C 1.949 177.858 175.800 0.182 0.000 1.100 224 F CA 2.473 60.588 58.000 0.192 0.000 1.226 224 F CB -0.016 39.085 39.000 0.170 0.000 0.983 224 F HN 0.482 nan 8.300 nan 0.000 0.479 225 D N -0.399 120.253 120.400 0.421 0.000 2.116 225 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 225 D C 2.489 178.858 176.300 0.115 0.000 0.998 225 D CA 1.783 55.951 54.000 0.279 0.000 0.836 225 D CB -0.598 40.367 40.800 0.275 0.000 0.951 225 D HN 0.240 nan 8.370 nan 0.000 0.449 226 S N -0.639 115.146 115.700 0.141 0.000 2.423 226 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 226 S C 2.032 176.596 174.600 -0.059 0.000 1.014 226 S CA 1.475 59.664 58.200 -0.019 0.000 0.965 226 S CB -0.302 62.904 63.200 0.011 0.000 0.785 226 S HN 0.548 nan 8.310 nan 0.000 0.495 227 T N -0.253 114.345 114.554 0.075 0.000 3.055 227 T HA 0.085 4.435 4.350 -0.000 0.000 0.265 227 T C 0.641 175.271 174.700 -0.117 0.000 1.111 227 T CA 0.122 62.250 62.100 0.046 0.000 1.118 227 T CB -0.491 68.370 68.868 -0.011 0.000 0.909 227 T HN 0.049 nan 8.240 nan 0.000 0.501 228 V N 4.265 124.071 119.914 -0.180 0.000 2.425 228 V HA 0.239 4.359 4.120 -0.000 0.000 0.276 228 V C 1.269 177.313 176.094 -0.083 0.000 1.017 228 V CA -0.172 62.046 62.300 -0.138 0.000 1.062 228 V CB -0.532 31.252 31.823 -0.065 0.000 0.997 228 V HN 0.714 nan 8.190 nan 0.000 0.476 229 T N 0.976 115.494 114.554 -0.060 0.000 2.788 229 T HA 0.230 4.580 4.350 -0.000 0.000 0.280 229 T C 1.102 175.785 174.700 -0.028 0.000 0.984 229 T CA -0.201 61.870 62.100 -0.049 0.000 0.972 229 T CB 1.254 70.100 68.868 -0.037 0.000 1.039 229 T HN 0.679 nan 8.240 nan 0.000 0.530 230 E N 0.348 120.533 120.200 -0.026 0.000 2.085 230 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 230 E C 2.016 178.618 176.600 0.002 0.000 0.994 230 E CA 1.528 57.925 56.400 -0.005 0.000 0.801 230 E CB -0.229 29.467 29.700 -0.007 0.000 0.743 230 E HN 0.769 nan 8.360 nan 0.000 0.453 231 N N 0.861 119.556 118.700 -0.008 0.000 2.061 231 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 231 N C 1.431 176.952 175.510 0.017 0.000 1.030 231 N CA 2.206 55.255 53.050 -0.002 0.000 0.856 231 N CB -0.166 38.307 38.487 -0.023 0.000 1.023 231 N HN 0.141 nan 8.380 nan 0.000 0.424 232 D N 0.135 120.546 120.400 0.018 0.000 2.104 232 D HA -0.146 4.493 4.640 -0.000 0.000 0.194 232 D C 2.030 178.340 176.300 0.016 0.000 0.994 232 D CA 1.230 55.252 54.000 0.036 0.000 0.830 232 D CB -0.388 40.428 40.800 0.026 0.000 0.959 232 D HN 0.467 nan 8.370 nan 0.000 0.452 233 I N 0.619 121.200 120.570 0.018 0.000 2.286 233 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 233 I C 2.540 178.665 176.117 0.013 0.000 1.115 233 I CA 0.946 62.261 61.300 0.026 0.000 1.392 233 I CB -0.144 37.898 38.000 0.068 0.000 1.065 233 I HN -0.089 nan 8.210 nan 0.000 0.418 234 R N 0.210 120.720 120.500 0.016 0.000 2.075 234 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 234 R C 2.381 178.664 176.300 -0.029 0.000 1.126 234 R CA 1.091 57.196 56.100 0.009 0.000 0.963 234 R CB -0.475 29.834 30.300 0.015 0.000 0.858 234 R HN 0.198 nan 8.270 nan 0.000 0.435 235 V N 1.550 121.450 119.914 -0.024 0.000 2.332 235 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 235 V C 2.025 178.028 176.094 -0.151 0.000 1.055 235 V CA 1.904 64.177 62.300 -0.045 0.000 1.038 235 V CB -0.436 31.398 31.823 0.019 0.000 0.651 235 V HN 0.360 nan 8.190 nan 0.000 0.450 236 E N -0.434 119.643 120.200 -0.205 0.000 2.038 236 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 236 E C 2.384 178.515 176.600 -0.781 0.000 1.000 236 E CA 1.549 57.660 56.400 -0.481 0.000 0.803 236 E CB -0.205 29.261 29.700 -0.389 0.000 0.750 236 E HN 0.607 nan 8.360 nan 0.000 0.448 237 E N 0.344 120.310 120.200 -0.390 0.000 2.085 237 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 237 E C 2.161 178.696 176.600 -0.109 0.000 0.994 237 E CA 1.571 57.882 56.400 -0.149 0.000 0.801 237 E CB 0.001 29.745 29.700 0.074 0.000 0.743 237 E HN 0.241 nan 8.360 nan 0.000 0.453 238 S N 0.289 115.924 115.700 -0.107 0.000 2.399 238 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 238 S C 2.073 176.628 174.600 -0.076 0.000 1.022 238 S CA 0.923 59.090 58.200 -0.056 0.000 0.983 238 S CB -0.518 62.658 63.200 -0.041 0.000 0.803 238 S HN 0.278 nan 8.310 nan 0.000 0.480 239 I N 0.133 120.600 120.570 -0.173 0.000 2.252 239 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 239 I C 2.309 178.404 176.117 -0.037 0.000 1.102 239 I CA 1.261 62.475 61.300 -0.143 0.000 1.385 239 I CB -0.490 37.377 38.000 -0.222 0.000 1.064 239 I HN 0.219 nan 8.210 nan 0.000 0.414 240 Y N 1.046 121.337 120.300 -0.015 0.000 2.145 240 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 240 Y C 2.670 178.572 175.900 0.003 0.000 1.145 240 Y CA 0.708 58.803 58.100 -0.009 0.000 1.148 240 Y CB -1.084 37.383 38.460 0.011 0.000 0.981 240 Y HN 0.217 nan 8.280 nan 0.000 0.507 241 Q N -1.127 118.775 119.800 0.171 0.000 2.439 241 Q HA -0.140 4.200 4.340 -0.000 0.000 0.211 241 Q C 2.324 178.362 176.000 0.064 0.000 0.978 241 Q CA 0.933 56.798 55.803 0.104 0.000 0.897 241 Q CB -0.854 27.929 28.738 0.075 0.000 0.956 241 Q HN 0.514 nan 8.270 nan 0.000 0.483 242 C N 0.143 119.472 119.300 0.049 0.000 2.432 242 C HA -0.044 4.416 4.460 -0.000 0.000 0.282 242 C C 1.579 176.587 174.990 0.030 0.000 1.388 242 C CA -0.662 58.372 59.018 0.026 0.000 1.777 242 C CB -0.689 27.055 27.740 0.007 0.000 1.882 242 C HN 0.419 nan 8.230 nan 0.000 0.520 243 C N 1.913 121.241 119.300 0.047 0.000 2.703 243 C HA 0.117 4.576 4.460 -0.000 0.000 0.411 243 C C 0.567 175.577 174.990 0.034 0.000 1.290 243 C CA -0.198 58.842 59.018 0.036 0.000 2.054 243 C CB -0.246 27.521 27.740 0.045 0.000 2.732 243 C HN 0.532 nan 8.230 nan 0.000 0.650 244 D N 2.114 122.529 120.400 0.025 0.000 2.359 244 D HA 0.399 5.039 4.640 -0.000 0.000 0.250 244 D C -0.482 175.837 176.300 0.032 0.000 1.264 244 D CA 0.357 54.372 54.000 0.025 0.000 0.911 244 D CB -0.109 40.701 40.800 0.018 0.000 1.056 244 D HN 0.376 nan 8.370 nan 0.000 0.499 245 L N 2.049 123.296 121.223 0.040 0.000 2.301 245 L HA 0.718 5.058 4.340 -0.000 0.000 0.264 245 L C 0.417 177.318 176.870 0.052 0.000 1.016 245 L CA -1.601 53.269 54.840 0.050 0.000 0.821 245 L CB 1.664 43.760 42.059 0.062 0.000 1.346 245 L HN 0.343 nan 8.230 nan 0.000 0.429 246 A N 1.295 124.153 122.820 0.063 0.000 2.440 246 A HA 0.395 4.715 4.320 -0.000 0.000 0.251 246 A C -1.665 175.965 177.584 0.077 0.000 1.089 246 A CA -1.137 50.941 52.037 0.068 0.000 0.779 246 A CB -0.094 18.953 19.000 0.078 0.000 1.022 246 A HN 0.601 nan 8.150 nan 0.000 0.492 247 P HA -0.248 nan 4.420 nan 0.000 0.218 247 P C 1.139 178.484 177.300 0.074 0.000 1.154 247 P CA 1.851 64.986 63.100 0.059 0.000 0.872 247 P CB 0.235 31.964 31.700 0.048 0.000 0.790 248 E N -0.857 119.412 120.200 0.115 0.000 2.072 248 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 248 E C 2.130 178.841 176.600 0.185 0.000 0.985 248 E CA 1.017 57.517 56.400 0.167 0.000 0.801 248 E CB -0.445 29.434 29.700 0.299 0.000 0.750 248 E HN 0.090 nan 8.360 nan 0.000 0.452 249 A N 1.305 124.250 122.820 0.210 0.000 1.908 249 A HA -0.221 4.098 4.320 -0.000 0.000 0.218 249 A C 2.063 179.715 177.584 0.114 0.000 1.181 249 A CA 1.419 53.579 52.037 0.205 0.000 0.627 249 A CB -0.455 18.642 19.000 0.162 0.000 0.818 249 A HN 0.138 nan 8.150 nan 0.000 0.445 250 R N -1.079 119.471 120.500 0.084 0.000 2.094 250 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 250 R C 2.554 178.872 176.300 0.031 0.000 1.137 250 R CA 1.955 58.092 56.100 0.061 0.000 0.943 250 R CB -0.452 29.878 30.300 0.051 0.000 0.850 250 R HN 0.689 nan 8.270 nan 0.000 0.433 251 Q N 0.660 120.460 119.800 0.000 0.000 2.061 251 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 251 Q C 1.974 177.909 176.000 -0.108 0.000 0.984 251 Q CA 2.165 57.938 55.803 -0.051 0.000 0.846 251 Q CB -0.329 28.366 28.738 -0.072 0.000 0.902 251 Q HN 0.362 nan 8.270 nan 0.000 0.421 252 A N 0.158 122.874 122.820 -0.175 0.000 1.940 252 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 252 A C 2.145 179.669 177.584 -0.101 0.000 1.176 252 A CA 1.660 53.522 52.037 -0.291 0.000 0.631 252 A CB -0.790 17.916 19.000 -0.490 0.000 0.814 252 A HN 0.518 nan 8.150 nan 0.000 0.446 253 I N -0.544 120.033 120.570 0.012 0.000 2.252 253 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 253 I C 2.516 178.689 176.117 0.094 0.000 1.102 253 I CA 1.795 63.155 61.300 0.100 0.000 1.385 253 I CB -0.239 37.844 38.000 0.139 0.000 1.064 253 I HN 0.447 nan 8.210 nan 0.000 0.414 254 K N 0.695 121.124 120.400 0.049 0.000 2.032 254 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 254 K C 2.323 178.922 176.600 -0.003 0.000 1.048 254 K CA 2.094 58.403 56.287 0.037 0.000 0.927 254 K CB -0.229 32.278 32.500 0.012 0.000 0.712 254 K HN 0.104 nan 8.250 nan 0.000 0.441 255 S N 0.594 116.261 115.700 -0.056 0.000 2.353 255 S HA -0.112 4.357 4.470 -0.000 0.000 0.222 255 S C 1.968 176.492 174.600 -0.127 0.000 1.035 255 S CA 1.443 59.585 58.200 -0.097 0.000 1.025 255 S CB -0.348 62.762 63.200 -0.151 0.000 0.902 255 S HN 0.392 nan 8.310 nan 0.000 0.440 256 L N 0.699 121.825 121.223 -0.163 0.000 2.079 256 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 256 L C 2.738 179.330 176.870 -0.464 0.000 1.081 256 L CA 1.585 56.209 54.840 -0.361 0.000 0.752 256 L CB -0.976 40.866 42.059 -0.361 0.000 0.896 256 L HN 0.358 nan 8.230 nan 0.000 0.433 257 T N -1.052 113.450 114.554 -0.086 0.000 2.674 257 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 257 T C 1.789 176.508 174.700 0.032 0.000 1.039 257 T CA 1.194 63.374 62.100 0.135 0.000 1.150 257 T CB -0.100 68.909 68.868 0.235 0.000 0.864 257 T HN 0.308 nan 8.240 nan 0.000 0.427 258 E N 1.302 121.500 120.200 -0.004 0.000 2.047 258 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 258 E C 2.377 178.961 176.600 -0.027 0.000 0.987 258 E CA 1.049 57.445 56.400 -0.006 0.000 0.799 258 E CB -0.198 29.494 29.700 -0.013 0.000 0.752 258 E HN 0.471 nan 8.360 nan 0.000 0.449 259 R N -0.344 120.112 120.500 -0.073 0.000 2.210 259 R HA 0.077 4.417 4.340 -0.000 0.000 0.203 259 R C 1.890 178.127 176.300 -0.105 0.000 1.010 259 R CA 0.433 56.488 56.100 -0.076 0.000 1.008 259 R CB 0.213 30.460 30.300 -0.088 0.000 0.923 259 R HN 0.065 nan 8.270 nan 0.000 0.469 260 L N -2.592 118.523 121.223 -0.180 0.000 2.658 260 L HA 0.181 4.521 4.340 -0.000 0.000 0.201 260 L C 1.184 178.001 176.870 -0.088 0.000 1.050 260 L CA 0.544 55.268 54.840 -0.194 0.000 0.893 260 L CB -0.125 41.737 42.059 -0.328 0.000 1.503 260 L HN -0.158 nan 8.230 nan 0.000 0.485 261 Y N 0.080 120.400 120.300 0.033 0.000 2.200 261 Y HA -0.102 4.448 4.550 -0.000 0.000 0.290 261 Y C 2.476 178.388 175.900 0.021 0.000 1.137 261 Y CA 1.414 59.541 58.100 0.045 0.000 1.163 261 Y CB -0.883 37.626 38.460 0.082 0.000 0.988 261 Y HN 0.133 nan 8.280 nan 0.000 0.518 262 I N -0.958 119.707 120.570 0.158 0.000 2.264 262 I HA -0.061 4.109 4.170 -0.000 0.000 0.248 262 I C 1.338 177.479 176.117 0.040 0.000 1.111 262 I CA 1.810 63.161 61.300 0.086 0.000 1.382 262 I CB -0.620 37.419 38.000 0.065 0.000 1.060 262 I HN 0.282 nan 8.210 nan 0.000 0.418 263 G N -2.146 106.661 108.800 0.010 0.000 2.324 263 G HA2 0.517 4.477 3.960 -0.000 0.000 0.293 263 G HA3 0.517 4.477 3.960 -0.000 0.000 0.293 263 G C -0.832 173.949 174.900 -0.199 0.000 1.297 263 G CA -0.232 44.822 45.100 -0.076 0.000 0.853 263 G HN 0.537 nan 8.290 nan 0.000 0.535 264 G N -0.962 107.457 108.800 -0.635 0.000 2.328 264 G HA2 0.700 4.660 3.960 -0.000 0.000 0.299 264 G HA3 0.700 4.660 3.960 -0.000 0.000 0.299 264 G C -3.490 170.758 174.900 -1.086 0.000 1.435 264 G CA 0.025 44.686 45.100 -0.731 0.000 0.865 264 G HN 0.745 nan 8.290 nan 0.000 0.601 265 P HA 0.452 nan 4.420 nan 0.000 0.275 265 P C -0.466 176.705 177.300 -0.214 0.000 1.228 265 P CA -0.189 62.722 63.100 -0.314 0.000 0.786 265 P CB 1.110 32.789 31.700 -0.035 0.000 0.927 266 L N 2.221 123.373 121.223 -0.118 0.000 2.296 266 L HA 0.444 4.784 4.340 -0.000 0.000 0.286 266 L C 0.474 177.332 176.870 -0.019 0.000 1.023 266 L CA -0.202 54.603 54.840 -0.058 0.000 0.812 266 L CB 1.484 43.553 42.059 0.016 0.000 1.223 266 L HN 0.265 nan 8.230 nan 0.000 0.421 267 T N 1.679 116.202 114.554 -0.053 0.000 2.807 267 T HA 0.316 4.666 4.350 -0.000 0.000 0.279 267 T C -0.156 174.518 174.700 -0.044 0.000 0.993 267 T CA -0.832 61.245 62.100 -0.038 0.000 0.970 267 T CB 1.351 70.183 68.868 -0.060 0.000 0.950 267 T HN 0.645 nan 8.240 nan 0.000 0.441 268 N N 0.952 119.646 118.700 -0.011 0.000 2.364 268 N HA 0.121 4.861 4.740 -0.000 0.000 0.264 268 N C 1.432 176.930 175.510 -0.019 0.000 1.263 268 N CA -0.304 52.741 53.050 -0.008 0.000 0.959 268 N CB 0.148 38.641 38.487 0.010 0.000 1.204 268 N HN 0.432 nan 8.380 nan 0.000 0.550 269 S N -0.998 114.698 115.700 -0.006 0.000 2.447 269 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 269 S C 1.154 175.749 174.600 -0.008 0.000 1.006 269 S CA 0.654 58.852 58.200 -0.004 0.000 0.957 269 S CB -0.445 62.764 63.200 0.015 0.000 0.773 269 S HN 0.618 nan 8.310 nan 0.000 0.507 270 K N 0.874 121.272 120.400 -0.004 0.000 2.555 270 K HA 0.158 4.478 4.320 -0.000 0.000 0.193 270 K C 1.397 177.993 176.600 -0.007 0.000 1.032 270 K CA 0.443 56.728 56.287 -0.003 0.000 1.004 270 K CB -0.378 32.123 32.500 0.002 0.000 0.804 270 K HN 0.617 nan 8.250 nan 0.000 0.496 271 G N 1.407 110.199 108.800 -0.014 0.000 2.175 271 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 271 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 271 G C -0.152 174.746 174.900 -0.005 0.000 0.982 271 G CA -0.096 44.994 45.100 -0.017 0.000 0.641 271 G HN 0.364 nan 8.290 nan 0.000 0.527 272 Q N 0.253 120.055 119.800 0.004 0.000 2.306 272 Q HA 0.322 4.662 4.340 -0.000 0.000 0.241 272 Q C 0.403 176.418 176.000 0.024 0.000 0.948 272 Q CA -0.400 55.413 55.803 0.016 0.000 0.886 272 Q CB 0.795 29.545 28.738 0.021 0.000 1.227 272 Q HN 0.415 nan 8.270 nan 0.000 0.457 273 N N 1.121 119.842 118.700 0.036 0.000 2.411 273 N HA 0.029 4.769 4.740 -0.000 0.000 0.259 273 N C -0.229 175.329 175.510 0.081 0.000 1.103 273 N CA -0.427 52.653 53.050 0.050 0.000 0.954 273 N CB 0.601 39.120 38.487 0.053 0.000 1.085 273 N HN 0.581 nan 8.380 nan 0.000 0.485 274 C N 2.912 122.274 119.300 0.104 0.000 2.512 274 C HA 0.381 4.841 4.460 -0.000 0.000 0.276 274 C C 1.337 176.482 174.990 0.258 0.000 1.368 274 C CA 0.579 59.713 59.018 0.194 0.000 1.755 274 C CB -0.975 26.903 27.740 0.230 0.000 2.008 274 C HN 0.961 nan 8.230 nan 0.000 0.511 275 G N -1.724 107.163 108.800 0.144 0.000 2.441 275 G HA2 0.312 4.272 3.960 -0.000 0.000 0.222 275 G HA3 0.312 4.272 3.960 -0.000 0.000 0.222 275 G C -2.121 172.813 174.900 0.057 0.000 1.254 275 G CA -0.321 44.825 45.100 0.076 0.000 0.959 275 G HN 0.038 nan 8.290 nan 0.000 0.474 276 Y N 0.662 120.855 120.300 -0.179 0.000 2.504 276 Y HA 0.747 5.297 4.550 -0.000 0.000 0.344 276 Y C -0.102 175.687 175.900 -0.185 0.000 1.023 276 Y CA -0.833 57.183 58.100 -0.140 0.000 1.020 276 Y CB 2.005 40.390 38.460 -0.124 0.000 1.282 276 Y HN 0.717 nan 8.280 nan 0.000 0.454 277 R N 4.562 124.838 120.500 -0.374 0.000 2.460 277 R HA 0.609 4.949 4.340 -0.000 0.000 0.303 277 R C -0.929 175.233 176.300 -0.230 0.000 0.968 277 R CA -0.647 55.246 56.100 -0.345 0.000 0.889 277 R CB 1.032 31.175 30.300 -0.262 0.000 1.123 277 R HN 0.917 nan 8.270 nan 0.000 0.455 278 R N 3.311 123.639 120.500 -0.286 0.000 2.698 278 R HA 0.229 4.569 4.340 -0.000 0.000 0.422 278 R C -0.773 175.397 176.300 -0.218 0.000 1.073 278 R CA -0.360 55.653 56.100 -0.145 0.000 1.054 278 R CB 0.487 30.733 30.300 -0.090 0.000 1.373 278 R HN 0.814 nan 8.270 nan 0.000 0.593 279 C N -2.041 117.093 119.300 -0.277 0.000 3.335 279 C HA 0.613 5.073 4.460 -0.000 0.000 0.356 279 C C -0.403 174.524 174.990 -0.104 0.000 1.570 279 C CA -1.523 57.362 59.018 -0.221 0.000 1.271 279 C CB 1.297 28.821 27.740 -0.360 0.000 1.873 279 C HN 0.438 nan 8.230 nan 0.000 0.439 280 R N 1.290 121.778 120.500 -0.021 0.000 2.538 280 R HA 0.469 4.808 4.340 -0.000 0.000 0.282 280 R C 0.151 176.509 176.300 0.098 0.000 1.009 280 R CA 0.976 57.117 56.100 0.068 0.000 1.063 280 R CB -0.023 30.355 30.300 0.130 0.000 0.945 280 R HN 1.281 nan 8.270 nan 0.000 0.414 281 A N 3.862 126.758 122.820 0.128 0.000 2.404 281 A HA 0.204 4.524 4.320 -0.000 0.000 0.273 281 A C 1.028 178.719 177.584 0.179 0.000 1.144 281 A CA 0.082 52.213 52.037 0.157 0.000 0.806 281 A CB 0.287 19.392 19.000 0.174 0.000 1.080 281 A HN 1.024 nan 8.150 nan 0.000 0.509 282 S N 2.501 118.319 115.700 0.196 0.000 2.423 282 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 282 S C 1.177 175.883 174.600 0.177 0.000 1.014 282 S CA 0.972 59.284 58.200 0.187 0.000 0.965 282 S CB -0.052 63.265 63.200 0.195 0.000 0.785 282 S HN 1.212 nan 8.310 nan 0.000 0.495 283 G N 2.198 111.126 108.800 0.214 0.000 4.637 283 G HA2 0.527 4.487 3.960 -0.000 0.000 0.308 283 G HA3 0.527 4.487 3.960 -0.000 0.000 0.308 283 G C -0.169 174.862 174.900 0.220 0.000 1.377 283 G CA -0.267 44.958 45.100 0.209 0.000 1.176 283 G HN 0.501 nan 8.290 nan 0.000 0.601 284 V N -1.941 118.091 119.914 0.197 0.000 3.113 284 V HA 0.579 4.699 4.120 -0.000 0.000 0.316 284 V C 1.313 177.508 176.094 0.168 0.000 1.125 284 V CA -0.970 61.467 62.300 0.229 0.000 1.026 284 V CB 1.704 33.736 31.823 0.348 0.000 1.080 284 V HN 0.101 nan 8.190 nan 0.000 0.444 285 L N 2.133 123.469 121.223 0.189 0.000 2.131 285 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 285 L C 2.323 179.225 176.870 0.053 0.000 1.092 285 L CA 2.972 57.901 54.840 0.148 0.000 0.759 285 L CB -0.658 41.514 42.059 0.188 0.000 0.903 285 L HN 1.088 nan 8.230 nan 0.000 0.435 286 T N -5.900 108.619 114.554 -0.058 0.000 3.148 286 T HA -0.012 4.338 4.350 -0.000 0.000 0.253 286 T C 1.583 176.235 174.700 -0.081 0.000 1.134 286 T CA 0.755 62.756 62.100 -0.166 0.000 1.051 286 T CB -0.725 67.864 68.868 -0.466 0.000 0.959 286 T HN 0.274 nan 8.240 nan 0.000 0.525 287 T N 2.000 116.545 114.554 -0.015 0.000 2.635 287 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 287 T C 2.190 176.914 174.700 0.039 0.000 1.040 287 T CA 1.785 63.909 62.100 0.040 0.000 1.156 287 T CB -0.725 68.191 68.868 0.080 0.000 0.863 287 T HN 0.521 nan 8.240 nan 0.000 0.430 288 S N -0.269 115.427 115.700 -0.006 0.000 2.343 288 S HA -0.170 4.300 4.470 -0.000 0.000 0.219 288 S C 2.454 177.066 174.600 0.021 0.000 1.033 288 S CA 1.448 59.629 58.200 -0.031 0.000 1.014 288 S CB -0.984 62.081 63.200 -0.226 0.000 0.915 288 S HN 0.667 nan 8.310 nan 0.000 0.435 289 C N 1.251 120.533 119.300 -0.029 0.000 2.413 289 C HA 0.014 4.474 4.460 -0.000 0.000 0.277 289 C C 2.833 177.865 174.990 0.071 0.000 1.228 289 C CA 1.245 60.265 59.018 0.004 0.000 1.731 289 C CB -1.820 25.893 27.740 -0.045 0.000 2.042 289 C HN 0.729 nan 8.230 nan 0.000 0.468 290 G N 0.421 109.274 108.800 0.088 0.000 2.459 290 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.217 290 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.217 290 G C 1.502 176.489 174.900 0.145 0.000 1.183 290 G CA 1.189 46.350 45.100 0.102 0.000 0.776 290 G HN 0.598 nan 8.290 nan 0.000 0.552 291 N N 0.459 119.256 118.700 0.161 0.000 2.069 291 N HA -0.098 4.642 4.740 -0.000 0.000 0.191 291 N C 2.435 178.000 175.510 0.090 0.000 1.031 291 N CA 1.799 54.960 53.050 0.185 0.000 0.852 291 N CB -0.853 37.659 38.487 0.042 0.000 1.018 291 N HN 0.291 nan 8.380 nan 0.000 0.423 292 T N 1.741 116.355 114.554 0.100 0.000 2.708 292 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 292 T C 2.155 176.943 174.700 0.148 0.000 1.037 292 T CA 0.678 62.856 62.100 0.129 0.000 1.146 292 T CB -0.338 68.678 68.868 0.247 0.000 0.865 292 T HN 0.129 nan 8.240 nan 0.000 0.435 293 L N 0.660 121.943 121.223 0.100 0.000 1.989 293 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 293 L C 2.992 179.958 176.870 0.159 0.000 1.071 293 L CA 1.399 56.281 54.840 0.071 0.000 0.749 293 L CB -1.129 40.924 42.059 -0.010 0.000 0.890 293 L HN 0.284 nan 8.230 nan 0.000 0.431 294 T N -1.289 113.379 114.554 0.190 0.000 2.737 294 T HA -0.241 4.109 4.350 -0.000 0.000 0.265 294 T C 2.020 176.922 174.700 0.336 0.000 1.038 294 T CA 1.489 63.736 62.100 0.244 0.000 1.144 294 T CB -0.481 68.568 68.868 0.302 0.000 0.866 294 T HN 0.469 nan 8.240 nan 0.000 0.434 295 C N 0.667 120.227 119.300 0.433 0.000 2.413 295 C HA -0.132 4.328 4.460 -0.000 0.000 0.276 295 C C 2.371 177.509 174.990 0.246 0.000 1.236 295 C CA 0.748 59.995 59.018 0.382 0.000 1.735 295 C CB -1.439 26.373 27.740 0.120 0.000 2.031 295 C HN 0.646 nan 8.230 nan 0.000 0.474 296 Y N 1.063 121.419 120.300 0.095 0.000 2.097 296 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 296 Y C 2.215 178.123 175.900 0.013 0.000 1.152 296 Y CA 2.267 60.398 58.100 0.050 0.000 1.136 296 Y CB -0.759 37.717 38.460 0.027 0.000 0.975 296 Y HN 0.342 nan 8.280 nan 0.000 0.498 297 L N 1.182 122.464 121.223 0.098 0.000 1.956 297 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 297 L C 2.181 178.924 176.870 -0.211 0.000 1.073 297 L CA 2.215 56.986 54.840 -0.116 0.000 0.762 297 L CB -1.090 40.886 42.059 -0.139 0.000 0.889 297 L HN 0.223 nan 8.230 nan 0.000 0.433 298 K N -0.471 119.878 120.400 -0.085 0.000 2.032 298 K HA -0.158 4.161 4.320 -0.000 0.000 0.209 298 K C 2.069 178.656 176.600 -0.022 0.000 1.048 298 K CA 1.572 57.823 56.287 -0.061 0.000 0.927 298 K CB -0.542 32.036 32.500 0.130 0.000 0.712 298 K HN 0.524 nan 8.250 nan 0.000 0.441 299 A N 1.178 123.987 122.820 -0.018 0.000 1.902 299 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 299 A C 2.261 179.831 177.584 -0.023 0.000 1.181 299 A CA 1.912 53.953 52.037 0.008 0.000 0.623 299 A CB -0.567 18.503 19.000 0.117 0.000 0.818 299 A HN 0.193 nan 8.150 nan 0.000 0.443 300 S N -0.081 115.500 115.700 -0.198 0.000 2.356 300 S HA -0.061 4.409 4.470 -0.000 0.000 0.223 300 S C 2.340 176.873 174.600 -0.113 0.000 1.032 300 S CA 1.241 59.307 58.200 -0.224 0.000 1.005 300 S CB -0.537 62.391 63.200 -0.454 0.000 0.867 300 S HN 0.814 nan 8.310 nan 0.000 0.449 301 A N 1.573 124.330 122.820 -0.104 0.000 1.940 301 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 301 A C 2.342 179.970 177.584 0.073 0.000 1.176 301 A CA 1.805 53.850 52.037 0.013 0.000 0.631 301 A CB -1.064 17.926 19.000 -0.017 0.000 0.814 301 A HN 0.526 nan 8.150 nan 0.000 0.446 302 A N -1.109 121.743 122.820 0.053 0.000 1.930 302 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 302 A C 2.290 179.857 177.584 -0.028 0.000 1.175 302 A CA 1.601 53.520 52.037 -0.197 0.000 0.627 302 A CB -1.253 17.227 19.000 -0.868 0.000 0.815 302 A HN 0.599 nan 8.150 nan 0.000 0.443 303 C N -0.920 118.487 119.300 0.178 0.000 2.413 303 C HA -0.098 4.362 4.460 -0.000 0.000 0.276 303 C C 2.892 177.908 174.990 0.043 0.000 1.248 303 C CA 1.151 60.322 59.018 0.256 0.000 1.742 303 C CB -1.326 26.518 27.740 0.174 0.000 2.017 303 C HN 0.609 nan 8.230 nan 0.000 0.481 304 R N 1.022 121.450 120.500 -0.119 0.000 2.070 304 R HA -0.099 4.241 4.340 -0.000 0.000 0.233 304 R C 2.476 178.554 176.300 -0.368 0.000 1.137 304 R CA 1.634 57.532 56.100 -0.335 0.000 0.945 304 R CB -0.634 29.258 30.300 -0.680 0.000 0.845 304 R HN 0.534 nan 8.270 nan 0.000 0.430 305 A N 1.505 124.135 122.820 -0.318 0.000 1.873 305 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 305 A C 2.317 179.890 177.584 -0.018 0.000 1.193 305 A CA 2.022 54.008 52.037 -0.084 0.000 0.629 305 A CB -0.831 18.152 19.000 -0.027 0.000 0.826 305 A HN 0.437 nan 8.150 nan 0.000 0.447 306 A N -1.575 121.257 122.820 0.020 0.000 2.209 306 A HA 0.168 4.488 4.320 -0.000 0.000 0.212 306 A C 1.042 178.652 177.584 0.042 0.000 1.158 306 A CA 1.101 53.178 52.037 0.066 0.000 0.742 306 A CB -0.546 18.566 19.000 0.188 0.000 0.790 306 A HN 0.555 nan 8.150 nan 0.000 0.472 307 K N -1.020 119.389 120.400 0.014 0.000 3.096 307 K HA -0.155 4.165 4.320 -0.000 0.000 0.266 307 K C -0.728 175.884 176.600 0.019 0.000 1.043 307 K CA 0.363 56.655 56.287 0.008 0.000 0.758 307 K CB -1.899 30.609 32.500 0.014 0.000 1.260 307 K HN 0.570 nan 8.250 nan 0.000 0.481 308 L N 1.388 122.634 121.223 0.039 0.000 2.453 308 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 308 L C 1.011 177.892 176.870 0.018 0.000 1.182 308 L CA 0.249 55.112 54.840 0.038 0.000 0.858 308 L CB 0.374 42.478 42.059 0.075 0.000 1.120 308 L HN 0.204 nan 8.230 nan 0.000 0.474 309 Q N 1.882 121.686 119.800 0.007 0.000 2.279 309 Q HA 0.066 4.405 4.340 -0.000 0.000 0.256 309 Q C -0.028 175.964 176.000 -0.014 0.000 0.937 309 Q CA -0.335 55.465 55.803 -0.005 0.000 0.933 309 Q CB 0.702 29.433 28.738 -0.012 0.000 1.189 309 Q HN 0.507 nan 8.270 nan 0.000 0.417 310 D N 1.102 121.494 120.400 -0.014 0.000 2.692 310 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 310 D C -0.696 175.588 176.300 -0.026 0.000 1.172 310 D CA 0.307 54.294 54.000 -0.021 0.000 0.636 310 D CB -0.932 39.845 40.800 -0.037 0.000 1.028 310 D HN 0.628 nan 8.370 nan 0.000 0.419 311 C N -1.216 118.079 119.300 -0.008 0.000 2.595 311 C HA 0.821 5.281 4.460 -0.000 0.000 0.384 311 C C 0.636 175.622 174.990 -0.007 0.000 1.289 311 C CA -0.462 58.550 59.018 -0.009 0.000 2.372 311 C CB 1.397 29.147 27.740 0.018 0.000 2.593 311 C HN 0.448 nan 8.230 nan 0.000 0.639 312 T N 3.282 117.826 114.554 -0.017 0.000 2.921 312 T HA 0.540 4.889 4.350 -0.000 0.000 0.297 312 T C -0.425 174.296 174.700 0.036 0.000 1.013 312 T CA -0.247 61.868 62.100 0.026 0.000 0.990 312 T CB 1.199 70.058 68.868 -0.015 0.000 1.023 312 T HN 0.766 nan 8.240 nan 0.000 0.447 313 M N 2.743 122.405 119.600 0.102 0.000 2.654 313 M HA 0.730 5.210 4.480 -0.000 0.000 0.310 313 M C -1.300 175.115 176.300 0.192 0.000 1.211 313 M CA -1.190 54.160 55.300 0.083 0.000 0.947 313 M CB 1.780 34.409 32.600 0.049 0.000 1.647 313 M HN 0.319 nan 8.290 nan 0.000 0.481 314 L N 1.877 123.172 121.223 0.120 0.000 2.491 314 L HA 0.601 4.941 4.340 -0.000 0.000 0.267 314 L C -1.555 175.321 176.870 0.010 0.000 0.971 314 L CA -0.385 54.517 54.840 0.104 0.000 0.857 314 L CB 1.801 43.949 42.059 0.149 0.000 1.226 314 L HN 0.499 nan 8.230 nan 0.000 0.408 315 V N 3.865 123.774 119.914 -0.008 0.000 2.628 315 V HA 0.625 4.745 4.120 -0.000 0.000 0.306 315 V C -0.581 175.365 176.094 -0.246 0.000 1.045 315 V CA -0.651 61.621 62.300 -0.046 0.000 0.905 315 V CB 2.062 33.951 31.823 0.110 0.000 0.997 315 V HN 0.783 nan 8.190 nan 0.000 0.436 316 N N 3.008 121.526 118.700 -0.303 0.000 2.648 316 N HA 0.597 5.337 4.740 -0.000 0.000 0.261 316 N C 0.442 175.849 175.510 -0.171 0.000 1.138 316 N CA 0.584 53.276 53.050 -0.597 0.000 0.804 316 N CB 1.643 39.672 38.487 -0.763 0.000 1.237 316 N HN 1.156 nan 8.380 nan 0.000 0.532 317 G N 2.231 111.060 108.800 0.049 0.000 2.556 317 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.283 317 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.283 317 G C 0.510 175.260 174.900 -0.250 0.000 1.177 317 G CA 0.670 45.776 45.100 0.009 0.000 0.978 317 G HN 0.592 nan 8.290 nan 0.000 0.554 318 D N 1.311 121.470 120.400 -0.402 0.000 2.349 318 D HA 0.139 4.779 4.640 -0.000 0.000 0.224 318 D C 0.616 176.780 176.300 -0.226 0.000 1.029 318 D CA 0.913 54.504 54.000 -0.681 0.000 0.879 318 D CB -0.223 40.160 40.800 -0.695 0.000 0.906 318 D HN 0.528 nan 8.370 nan 0.000 0.528 319 D N -0.079 120.245 120.400 -0.127 0.000 2.317 319 D HA 0.343 4.983 4.640 -0.000 0.000 0.252 319 D C -0.982 175.297 176.300 -0.035 0.000 1.174 319 D CA -0.441 53.527 54.000 -0.053 0.000 0.866 319 D CB 0.596 41.358 40.800 -0.064 0.000 1.127 319 D HN 0.045 nan 8.370 nan 0.000 0.467 320 L N 4.875 126.114 121.223 0.026 0.000 2.408 320 L HA 0.711 5.051 4.340 -0.000 0.000 0.268 320 L C -1.951 174.899 176.870 -0.032 0.000 0.986 320 L CA -0.874 53.985 54.840 0.032 0.000 0.820 320 L CB 1.990 44.134 42.059 0.143 0.000 1.303 320 L HN 0.259 nan 8.230 nan 0.000 0.411 321 V N 5.729 125.581 119.914 -0.103 0.000 2.686 321 V HA 0.763 4.883 4.120 -0.000 0.000 0.306 321 V C -1.468 174.445 176.094 -0.303 0.000 1.065 321 V CA -0.314 61.858 62.300 -0.214 0.000 0.894 321 V CB 2.324 34.074 31.823 -0.121 0.000 1.004 321 V HN 0.633 nan 8.190 nan 0.000 0.424 322 V N 7.700 127.234 119.914 -0.633 0.000 2.555 322 V HA 0.613 4.733 4.120 -0.000 0.000 0.302 322 V C -0.303 175.578 176.094 -0.354 0.000 1.038 322 V CA -0.525 61.440 62.300 -0.558 0.000 0.887 322 V CB 1.891 33.161 31.823 -0.920 0.000 0.991 322 V HN 0.758 nan 8.190 nan 0.000 0.434 323 I N 4.530 125.015 120.570 -0.141 0.000 2.465 323 I HA 0.711 4.881 4.170 -0.000 0.000 0.291 323 I C -0.155 175.918 176.117 -0.073 0.000 1.014 323 I CA -0.282 60.991 61.300 -0.044 0.000 1.093 323 I CB 1.691 39.704 38.000 0.021 0.000 1.267 323 I HN 0.908 nan 8.210 nan 0.000 0.431 324 C N 2.254 121.505 119.300 -0.081 0.000 3.340 324 C HA 0.555 5.015 4.460 -0.000 0.000 0.333 324 C C -0.709 174.212 174.990 -0.116 0.000 1.464 324 C CA -0.970 58.005 59.018 -0.073 0.000 1.337 324 C CB 1.728 29.469 27.740 0.001 0.000 1.740 324 C HN 0.610 nan 8.230 nan 0.000 0.450 325 E N 1.765 121.914 120.200 -0.084 0.000 2.290 325 E HA 0.295 4.645 4.350 -0.000 0.000 0.277 325 E C 0.123 176.697 176.600 -0.044 0.000 1.035 325 E CA 0.489 56.838 56.400 -0.085 0.000 0.873 325 E CB 1.591 31.253 29.700 -0.064 0.000 1.029 325 E HN 0.703 nan 8.360 nan 0.000 0.419 326 S N 1.660 117.342 115.700 -0.030 0.000 2.576 326 S HA 0.310 4.780 4.470 -0.000 0.000 0.276 326 S C 0.464 175.076 174.600 0.020 0.000 1.339 326 S CA 0.088 58.313 58.200 0.042 0.000 1.039 326 S CB 0.666 63.951 63.200 0.142 0.000 0.902 326 S HN 0.526 nan 8.310 nan 0.000 0.516 327 A N 3.121 125.958 122.820 0.029 0.000 2.538 327 A HA 0.672 4.992 4.320 -0.000 0.000 0.269 327 A C 0.825 178.414 177.584 0.010 0.000 1.231 327 A CA 0.253 52.296 52.037 0.009 0.000 0.948 327 A CB -0.706 18.296 19.000 0.004 0.000 1.110 327 A HN 1.826 nan 8.150 nan 0.000 0.529 328 G N -1.435 107.378 108.800 0.022 0.000 2.459 328 G HA2 0.152 4.112 3.960 -0.000 0.000 0.685 328 G HA3 0.152 4.112 3.960 -0.000 0.000 0.685 328 G C 0.503 175.420 174.900 0.029 0.000 1.303 328 G CA 0.273 45.372 45.100 -0.002 0.000 0.907 328 G HN 0.910 nan 8.290 nan 0.000 0.632 329 T N -1.880 112.673 114.554 -0.002 0.000 2.701 329 T HA -0.088 4.262 4.350 -0.000 0.000 0.263 329 T C 2.097 176.824 174.700 0.045 0.000 1.040 329 T CA 2.147 64.275 62.100 0.047 0.000 1.147 329 T CB -0.374 68.492 68.868 -0.003 0.000 0.865 329 T HN 0.657 nan 8.240 nan 0.000 0.426 330 Q N 0.937 120.747 119.800 0.016 0.000 2.084 330 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 330 Q C 2.462 178.468 176.000 0.009 0.000 0.978 330 Q CA 1.801 57.611 55.803 0.011 0.000 0.844 330 Q CB -0.265 28.475 28.738 0.002 0.000 0.898 330 Q HN 0.637 nan 8.270 nan 0.000 0.426 331 E N 0.863 121.068 120.200 0.009 0.000 2.077 331 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 331 E C 1.622 178.222 176.600 0.000 0.000 0.989 331 E CA 1.254 57.656 56.400 0.004 0.000 0.800 331 E CB -0.036 29.667 29.700 0.004 0.000 0.746 331 E HN 0.274 nan 8.360 nan 0.000 0.452 332 D N 0.101 120.512 120.400 0.019 0.000 2.097 332 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 332 D C 1.888 178.159 176.300 -0.049 0.000 0.989 332 D CA 1.471 55.468 54.000 -0.004 0.000 0.827 332 D CB -0.445 40.401 40.800 0.077 0.000 0.966 332 D HN 0.192 nan 8.370 nan 0.000 0.456 333 A N 1.174 123.985 122.820 -0.014 0.000 1.892 333 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 333 A C 2.333 179.893 177.584 -0.041 0.000 1.188 333 A CA 2.738 54.757 52.037 -0.030 0.000 0.631 333 A CB -0.970 18.030 19.000 -0.001 0.000 0.822 333 A HN 0.248 nan 8.150 nan 0.000 0.447 334 A N -0.756 122.050 122.820 -0.024 0.000 1.865 334 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 334 A C 2.463 180.031 177.584 -0.026 0.000 1.191 334 A CA 2.268 54.294 52.037 -0.018 0.000 0.623 334 A CB -1.114 17.881 19.000 -0.009 0.000 0.826 334 A HN 0.472 nan 8.150 nan 0.000 0.444 335 S N -0.533 115.143 115.700 -0.041 0.000 2.374 335 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 335 S C 1.760 176.315 174.600 -0.075 0.000 1.037 335 S CA 1.689 59.860 58.200 -0.048 0.000 1.024 335 S CB -0.394 62.765 63.200 -0.069 0.000 0.861 335 S HN 0.371 nan 8.310 nan 0.000 0.456 336 L N 1.350 122.472 121.223 -0.168 0.000 2.141 336 L HA 0.034 4.374 4.340 -0.000 0.000 0.209 336 L C 2.374 179.234 176.870 -0.016 0.000 1.094 336 L CA 1.435 56.138 54.840 -0.229 0.000 0.763 336 L CB -0.535 41.314 42.059 -0.350 0.000 0.908 336 L HN 0.190 nan 8.230 nan 0.000 0.437 337 R N -1.325 119.170 120.500 -0.007 0.000 2.066 337 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 337 R C 2.167 178.491 176.300 0.040 0.000 1.131 337 R CA 1.389 57.505 56.100 0.027 0.000 0.955 337 R CB -0.724 29.581 30.300 0.008 0.000 0.851 337 R HN 0.192 nan 8.270 nan 0.000 0.432 338 V N 1.183 121.115 119.914 0.030 0.000 2.287 338 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 338 V C 2.042 178.150 176.094 0.023 0.000 1.053 338 V CA 1.911 64.220 62.300 0.017 0.000 1.027 338 V CB -0.646 31.187 31.823 0.018 0.000 0.646 338 V HN 0.205 nan 8.190 nan 0.000 0.447 339 F N 1.478 121.377 119.950 -0.084 0.000 2.091 339 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 339 F C 2.463 178.200 175.800 -0.105 0.000 1.103 339 F CA 2.462 60.407 58.000 -0.092 0.000 1.228 339 F CB -0.571 38.365 39.000 -0.105 0.000 0.984 339 F HN 0.132 nan 8.300 nan 0.000 0.477 340 T N -0.013 114.639 114.554 0.164 0.000 2.746 340 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 340 T C 1.703 176.388 174.700 -0.027 0.000 1.039 340 T CA 1.738 63.924 62.100 0.142 0.000 1.142 340 T CB -0.373 68.658 68.868 0.272 0.000 0.866 340 T HN 0.400 nan 8.240 nan 0.000 0.444 341 E N 1.123 121.292 120.200 -0.051 0.000 2.085 341 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 341 E C 2.591 179.061 176.600 -0.217 0.000 0.994 341 E CA 1.042 57.383 56.400 -0.098 0.000 0.801 341 E CB -0.262 29.393 29.700 -0.075 0.000 0.743 341 E HN 0.487 nan 8.360 nan 0.000 0.453 342 A N 1.339 123.975 122.820 -0.306 0.000 1.883 342 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 342 A C 2.181 179.356 177.584 -0.681 0.000 1.186 342 A CA 1.474 53.190 52.037 -0.536 0.000 0.624 342 A CB -0.381 18.339 19.000 -0.466 0.000 0.822 342 A HN 0.128 nan 8.150 nan 0.000 0.444 343 M N -0.331 118.971 119.600 -0.497 0.000 2.149 343 M HA -0.117 4.363 4.480 -0.000 0.000 0.261 343 M C 2.208 178.435 176.300 -0.121 0.000 1.064 343 M CA 2.062 57.189 55.300 -0.288 0.000 1.102 343 M CB -1.935 30.399 32.600 -0.444 0.000 1.369 343 M HN 0.478 nan 8.290 nan 0.000 0.408 344 T N 0.183 114.671 114.554 -0.110 0.000 2.708 344 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 344 T C 1.967 176.611 174.700 -0.094 0.000 1.037 344 T CA 1.223 63.293 62.100 -0.049 0.000 1.146 344 T CB -0.217 68.630 68.868 -0.035 0.000 0.865 344 T HN 0.381 nan 8.240 nan 0.000 0.435 345 R N 0.134 120.512 120.500 -0.203 0.000 2.091 345 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 345 R C 1.942 178.178 176.300 -0.107 0.000 1.136 345 R CA 1.351 57.332 56.100 -0.198 0.000 0.959 345 R CB -0.432 29.681 30.300 -0.311 0.000 0.856 345 R HN 0.430 nan 8.270 nan 0.000 0.437 346 Y N 0.366 120.619 120.300 -0.077 0.000 2.619 346 Y HA 0.023 4.573 4.550 -0.000 0.000 0.308 346 Y C 0.914 176.776 175.900 -0.062 0.000 1.192 346 Y CA 0.008 58.057 58.100 -0.084 0.000 1.319 346 Y CB -0.413 38.030 38.460 -0.030 0.000 1.030 346 Y HN 0.000 nan 8.280 nan 0.000 0.517 347 S N -0.418 115.330 115.700 0.080 0.000 3.968 347 S HA -0.096 4.374 4.470 -0.000 0.000 0.373 347 S C 0.023 174.649 174.600 0.044 0.000 0.974 347 S CA 0.445 58.676 58.200 0.052 0.000 1.124 347 S CB -1.421 61.798 63.200 0.032 0.000 0.862 347 S HN 0.722 nan 8.310 nan 0.000 0.492 348 A N 1.516 124.384 122.820 0.079 0.000 3.415 348 A HA 0.585 4.905 4.320 -0.000 0.000 0.244 348 A C -2.363 175.361 177.584 0.233 0.000 0.988 348 A CA -0.728 51.389 52.037 0.134 0.000 0.991 348 A CB 0.776 19.888 19.000 0.188 0.000 1.240 348 A HN 0.431 nan 8.150 nan 0.000 0.541 349 P HA 0.359 nan 4.420 nan 0.000 0.272 349 P C -2.943 174.455 177.300 0.164 0.000 1.240 349 P CA -1.126 62.057 63.100 0.138 0.000 0.791 349 P CB 0.362 32.065 31.700 0.005 0.000 0.978 350 P HA 0.210 nan 4.420 nan 0.000 0.285 350 P C 0.342 177.591 177.300 -0.085 0.000 1.269 350 P CA -0.172 62.875 63.100 -0.088 0.000 0.844 350 P CB 1.360 33.012 31.700 -0.080 0.000 1.094 351 G N 0.990 109.714 108.800 -0.127 0.000 2.618 351 G HA2 0.059 4.019 3.960 -0.000 0.000 0.222 351 G HA3 0.059 4.019 3.960 -0.000 0.000 0.222 351 G C -0.224 174.632 174.900 -0.072 0.000 1.520 351 G CA 0.129 45.187 45.100 -0.070 0.000 0.930 351 G HN 0.436 nan 8.290 nan 0.000 0.547 352 D N 2.146 122.496 120.400 -0.083 0.000 2.304 352 D HA 0.342 4.982 4.640 -0.000 0.000 0.250 352 D C -2.210 174.047 176.300 -0.071 0.000 1.107 352 D CA -1.089 52.876 54.000 -0.059 0.000 0.885 352 D CB 1.371 42.145 40.800 -0.045 0.000 1.192 352 D HN 0.007 nan 8.370 nan 0.000 0.436 353 P HA 0.106 nan 4.420 nan 0.000 0.265 353 P C -2.385 174.926 177.300 0.017 0.000 1.193 353 P CA -0.955 62.146 63.100 0.001 0.000 0.765 353 P CB -0.429 31.279 31.700 0.013 0.000 0.823 354 P HA 0.086 nan 4.420 nan 0.000 0.269 354 P C -0.603 176.710 177.300 0.021 0.000 1.209 354 P CA 0.325 63.496 63.100 0.120 0.000 0.776 354 P CB 0.642 32.500 31.700 0.263 0.000 0.876 355 Q N 1.743 121.562 119.800 0.031 0.000 2.359 355 Q HA 0.434 4.774 4.340 -0.000 0.000 0.274 355 Q C -2.594 173.390 176.000 -0.026 0.000 1.074 355 Q CA -2.101 53.695 55.803 -0.012 0.000 0.810 355 Q CB 1.874 30.619 28.738 0.012 0.000 1.342 355 Q HN 0.313 nan 8.270 nan 0.000 0.427 356 P HA 0.162 nan 4.420 nan 0.000 0.276 356 P C -0.548 176.571 177.300 -0.301 0.000 1.235 356 P CA -0.029 62.947 63.100 -0.207 0.000 0.772 356 P CB 0.835 32.399 31.700 -0.226 0.000 0.871 357 E N 2.176 122.180 120.200 -0.327 0.000 2.199 357 E HA 0.210 4.560 4.350 -0.000 0.000 0.269 357 E C -0.420 175.991 176.600 -0.314 0.000 0.899 357 E CA -0.409 55.860 56.400 -0.218 0.000 0.772 357 E CB 1.347 31.025 29.700 -0.037 0.000 1.155 357 E HN 0.445 nan 8.360 nan 0.000 0.408 358 Y N -0.191 120.248 120.300 0.232 0.000 2.481 358 Y HA 0.144 4.694 4.550 -0.000 0.000 0.247 358 Y C 0.400 176.554 175.900 0.423 0.000 1.151 358 Y CA -0.351 57.941 58.100 0.319 0.000 1.238 358 Y CB 0.962 39.518 38.460 0.160 0.000 1.179 358 Y HN 0.260 nan 8.280 nan 0.000 0.524 359 D N 0.309 120.887 120.400 0.296 0.000 2.481 359 D HA 0.119 4.759 4.640 -0.000 0.000 0.246 359 D C 0.716 176.817 176.300 -0.332 0.000 1.109 359 D CA -0.291 53.754 54.000 0.075 0.000 0.845 359 D CB 1.839 42.672 40.800 0.055 0.000 1.160 359 D HN 0.088 nan 8.370 nan 0.000 0.534 360 L N 4.355 125.065 121.223 -0.854 0.000 2.042 360 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 360 L C 1.928 178.481 176.870 -0.529 0.000 1.076 360 L CA 1.940 56.092 54.840 -1.147 0.000 0.749 360 L CB -0.458 40.718 42.059 -1.471 0.000 0.893 360 L HN 0.654 nan 8.230 nan 0.000 0.432 361 E N -0.798 119.207 120.200 -0.324 0.000 2.267 361 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 361 E C 1.855 178.362 176.600 -0.154 0.000 0.998 361 E CA 0.912 57.196 56.400 -0.194 0.000 0.830 361 E CB -0.099 29.535 29.700 -0.110 0.000 0.751 361 E HN 0.615 nan 8.360 nan 0.000 0.491 362 L N 0.773 121.906 121.223 -0.150 0.000 2.592 362 L HA 0.218 4.558 4.340 -0.000 0.000 0.227 362 L C 0.603 177.413 176.870 -0.099 0.000 1.127 362 L CA -0.192 54.592 54.840 -0.093 0.000 0.884 362 L CB 0.192 42.223 42.059 -0.047 0.000 1.065 362 L HN 0.052 nan 8.230 nan 0.000 0.457 363 I N 0.526 121.004 120.570 -0.154 0.000 2.337 363 I HA 0.090 4.260 4.170 -0.000 0.000 0.291 363 I C 0.005 176.063 176.117 -0.099 0.000 1.046 363 I CA 0.218 61.444 61.300 -0.123 0.000 1.324 363 I CB 1.123 39.023 38.000 -0.166 0.000 1.409 363 I HN -0.064 nan 8.210 nan 0.000 0.494 364 T N 5.261 119.779 114.554 -0.060 0.000 2.758 364 T HA 0.432 4.782 4.350 -0.000 0.000 0.285 364 T C -0.144 174.539 174.700 -0.030 0.000 0.981 364 T CA -0.629 61.445 62.100 -0.042 0.000 0.965 364 T CB 0.928 69.778 68.868 -0.030 0.000 0.927 364 T HN 0.702 nan 8.240 nan 0.000 0.448 365 S N 0.731 116.416 115.700 -0.025 0.000 2.548 365 S HA 0.462 4.932 4.470 -0.000 0.000 0.286 365 S C 0.199 174.801 174.600 0.003 0.000 1.098 365 S CA -0.872 57.315 58.200 -0.021 0.000 0.930 365 S CB 0.879 64.053 63.200 -0.043 0.000 1.070 365 S HN 0.876 nan 8.310 nan 0.000 0.480 366 C N 1.847 121.150 119.300 0.005 0.000 4.268 366 C HA -0.182 4.278 4.460 -0.000 0.000 0.299 366 C C 1.245 176.289 174.990 0.091 0.000 1.429 366 C CA 0.729 59.772 59.018 0.041 0.000 2.018 366 C CB -3.236 24.521 27.740 0.029 0.000 1.277 366 C HN 1.533 nan 8.230 nan 0.000 0.767 367 S N -1.369 114.369 115.700 0.063 0.000 3.473 367 S HA -0.199 4.271 4.470 -0.000 0.000 0.339 367 S C 0.265 174.906 174.600 0.069 0.000 1.148 367 S CA 1.207 59.442 58.200 0.060 0.000 0.969 367 S CB -0.847 62.402 63.200 0.082 0.000 0.936 367 S HN 0.995 nan 8.310 nan 0.000 0.530 368 S N 1.499 117.243 115.700 0.073 0.000 2.697 368 S HA 0.811 5.281 4.470 -0.000 0.000 0.289 368 S C -0.540 174.072 174.600 0.021 0.000 1.149 368 S CA -0.871 57.385 58.200 0.093 0.000 0.850 368 S CB 1.813 65.138 63.200 0.207 0.000 1.151 368 S HN 0.619 nan 8.310 nan 0.000 0.491 369 N N -0.681 118.020 118.700 0.002 0.000 2.484 369 N HA 0.377 5.117 4.740 -0.000 0.000 0.269 369 N C -1.632 173.813 175.510 -0.107 0.000 1.237 369 N CA -0.527 52.481 53.050 -0.070 0.000 0.838 369 N CB 0.955 39.391 38.487 -0.085 0.000 1.593 369 N HN 0.334 nan 8.380 nan 0.000 0.485 370 V N 0.464 120.285 119.914 -0.156 0.000 2.775 370 V HA 0.474 4.594 4.120 -0.000 0.000 0.299 370 V C 0.541 176.508 176.094 -0.213 0.000 1.062 370 V CA 0.032 62.221 62.300 -0.184 0.000 1.063 370 V CB 1.059 32.772 31.823 -0.184 0.000 0.994 370 V HN 0.862 nan 8.190 nan 0.000 0.483 371 S N 2.337 117.832 115.700 -0.341 0.000 2.720 371 S HA 0.791 5.261 4.470 -0.000 0.000 0.287 371 S C -1.330 173.143 174.600 -0.213 0.000 1.168 371 S CA -0.432 57.583 58.200 -0.309 0.000 0.832 371 S CB 2.043 64.993 63.200 -0.417 0.000 1.166 371 S HN 0.673 nan 8.310 nan 0.000 0.493 372 V N 0.871 120.769 119.914 -0.027 0.000 2.914 372 V HA 1.016 5.136 4.120 -0.000 0.000 0.314 372 V C -0.360 175.746 176.094 0.020 0.000 1.084 372 V CA 0.334 62.583 62.300 -0.085 0.000 0.963 372 V CB 1.371 32.993 31.823 -0.334 0.000 1.025 372 V HN 1.384 nan 8.190 nan 0.000 0.432 373 A N 4.090 126.754 122.820 -0.260 0.000 2.524 373 A HA 0.837 5.157 4.320 -0.000 0.000 0.303 373 A C -1.496 175.632 177.584 -0.759 0.000 1.195 373 A CA -0.576 51.171 52.037 -0.484 0.000 0.651 373 A CB 1.684 20.227 19.000 -0.761 0.000 1.323 373 A HN 0.934 nan 8.150 nan 0.000 0.479 374 H N 0.579 119.288 119.070 -0.602 0.000 2.679 374 H HA 0.373 4.929 4.556 -0.000 0.000 0.360 374 H C -0.991 174.017 175.328 -0.532 0.000 1.105 374 H CA -0.309 55.426 56.048 -0.522 0.000 1.196 374 H CB 1.941 31.385 29.762 -0.531 0.000 1.636 374 H HN 0.934 nan 8.280 nan 0.000 0.531 375 D N 1.259 121.567 120.400 -0.154 0.000 2.425 375 D HA 0.128 4.768 4.640 -0.000 0.000 0.274 375 D C 1.396 177.795 176.300 0.165 0.000 1.242 375 D CA -0.270 53.712 54.000 -0.029 0.000 1.060 375 D CB 0.196 40.980 40.800 -0.026 0.000 1.112 375 D HN 0.434 nan 8.370 nan 0.000 0.561 376 A N -0.327 122.580 122.820 0.145 0.000 1.940 376 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 376 A C 2.126 179.779 177.584 0.115 0.000 1.176 376 A CA 2.755 54.874 52.037 0.137 0.000 0.631 376 A CB -1.270 17.774 19.000 0.073 0.000 0.814 376 A HN 0.641 nan 8.150 nan 0.000 0.446 377 S N -2.165 113.587 115.700 0.085 0.000 2.481 377 S HA 0.321 4.791 4.470 -0.000 0.000 0.231 377 S C 1.532 176.180 174.600 0.079 0.000 0.996 377 S CA 1.240 59.479 58.200 0.064 0.000 0.942 377 S CB -0.262 62.964 63.200 0.044 0.000 0.768 377 S HN 1.956 nan 8.310 nan 0.000 0.520 378 G N 1.284 110.156 108.800 0.121 0.000 2.179 378 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 378 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 378 G C -0.017 174.982 174.900 0.165 0.000 0.990 378 G CA 0.017 45.186 45.100 0.114 0.000 0.646 378 G HN 0.959 nan 8.290 nan 0.000 0.517 379 K N 0.705 121.172 120.400 0.111 0.000 2.258 379 K HA 0.584 4.904 4.320 -0.000 0.000 0.264 379 K C 0.638 177.225 176.600 -0.021 0.000 1.007 379 K CA -0.511 55.825 56.287 0.082 0.000 0.941 379 K CB 0.893 33.404 32.500 0.020 0.000 0.966 379 K HN 0.372 nan 8.250 nan 0.000 0.480 380 R N 1.441 121.847 120.500 -0.156 0.000 2.623 380 R HA 0.130 4.470 4.340 -0.000 0.000 0.271 380 R C -1.228 174.814 176.300 -0.430 0.000 1.043 380 R CA -0.329 55.433 56.100 -0.562 0.000 1.083 380 R CB 0.466 30.507 30.300 -0.432 0.000 0.974 380 R HN 0.498 nan 8.270 nan 0.000 0.436 381 V N 5.722 125.326 119.914 -0.516 0.000 2.524 381 V HA 0.232 4.352 4.120 -0.000 0.000 0.297 381 V C -1.170 174.800 176.094 -0.207 0.000 1.035 381 V CA -0.777 61.361 62.300 -0.271 0.000 0.867 381 V CB 1.188 32.889 31.823 -0.204 0.000 1.004 381 V HN 0.677 nan 8.190 nan 0.000 0.426 382 Y N 5.378 125.675 120.300 -0.005 0.000 2.336 382 Y HA 0.593 5.142 4.550 -0.000 0.000 0.331 382 Y C 0.134 176.116 175.900 0.137 0.000 1.211 382 Y CA 0.086 58.200 58.100 0.023 0.000 1.346 382 Y CB 0.936 39.365 38.460 -0.052 0.000 1.271 382 Y HN 0.733 nan 8.280 nan 0.000 0.538 383 Y N 0.203 120.567 120.300 0.108 0.000 2.638 383 Y HA 0.620 5.170 4.550 -0.000 0.000 0.335 383 Y C -2.162 173.792 175.900 0.091 0.000 1.155 383 Y CA -2.038 56.103 58.100 0.069 0.000 1.046 383 Y CB 0.434 38.907 38.460 0.021 0.000 1.303 383 Y HN 0.453 nan 8.280 nan 0.000 0.460 384 L N 1.945 123.201 121.223 0.055 0.000 2.334 384 L HA 0.795 5.135 4.340 -0.000 0.000 0.277 384 L C 0.099 177.092 176.870 0.205 0.000 1.075 384 L CA 0.556 55.424 54.840 0.046 0.000 0.804 384 L CB 1.464 43.593 42.059 0.116 0.000 1.174 384 L HN 1.055 nan 8.230 nan 0.000 0.438 385 T N 3.779 118.438 114.554 0.175 0.000 2.681 385 T HA 0.840 5.189 4.350 -0.000 0.000 0.296 385 T C -1.504 173.294 174.700 0.163 0.000 1.157 385 T CA -0.555 61.724 62.100 0.298 0.000 1.025 385 T CB 1.079 70.075 68.868 0.213 0.000 1.441 385 T HN 0.867 nan 8.240 nan 0.000 0.504 386 R N 0.460 121.003 120.500 0.071 0.000 2.741 386 R HA 0.453 4.793 4.340 -0.000 0.000 0.276 386 R C -1.667 174.466 176.300 -0.279 0.000 1.028 386 R CA -1.011 55.019 56.100 -0.117 0.000 0.865 386 R CB 0.331 30.503 30.300 -0.213 0.000 1.268 386 R HN 0.539 nan 8.270 nan 0.000 0.475 387 D N 1.810 122.047 120.400 -0.271 0.000 2.458 387 D HA 0.069 4.709 4.640 -0.000 0.000 0.243 387 D C -1.453 174.490 176.300 -0.594 0.000 1.146 387 D CA -1.339 52.453 54.000 -0.348 0.000 0.877 387 D CB 1.263 41.941 40.800 -0.204 0.000 1.176 387 D HN 0.354 nan 8.370 nan 0.000 0.461 388 P HA 0.055 nan 4.420 nan 0.000 0.257 388 P C 1.025 177.993 177.300 -0.553 0.000 1.281 388 P CA 0.026 62.446 63.100 -1.133 0.000 0.826 388 P CB 0.363 31.211 31.700 -1.420 0.000 1.237 389 T N -0.236 114.113 114.554 -0.341 0.000 2.614 389 T HA -0.117 4.233 4.350 -0.000 0.000 0.263 389 T C 1.734 176.363 174.700 -0.118 0.000 1.055 389 T CA 2.316 64.313 62.100 -0.171 0.000 1.162 389 T CB -1.117 67.693 68.868 -0.097 0.000 0.863 389 T HN 0.174 nan 8.240 nan 0.000 0.414 390 T N 2.481 116.977 114.554 -0.096 0.000 2.708 390 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 390 T C -0.597 174.061 174.700 -0.070 0.000 1.037 390 T CA 1.279 63.349 62.100 -0.050 0.000 1.146 390 T CB -1.357 67.519 68.868 0.014 0.000 0.865 390 T HN 0.331 nan 8.240 nan 0.000 0.435 391 P HA -0.067 nan 4.420 nan 0.000 0.216 391 P C 1.539 178.867 177.300 0.046 0.000 1.154 391 P CA 1.070 64.163 63.100 -0.011 0.000 0.865 391 P CB -0.229 31.428 31.700 -0.072 0.000 0.789 392 L N -1.522 119.683 121.223 -0.031 0.000 2.072 392 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 392 L C 2.546 179.447 176.870 0.052 0.000 1.079 392 L CA 1.418 56.269 54.840 0.018 0.000 0.752 392 L CB -1.258 40.774 42.059 -0.045 0.000 0.906 392 L HN -0.062 nan 8.230 nan 0.000 0.436 393 A N 0.475 123.315 122.820 0.033 0.000 1.865 393 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 393 A C 2.391 180.046 177.584 0.118 0.000 1.191 393 A CA 1.700 53.780 52.037 0.072 0.000 0.623 393 A CB -0.550 18.468 19.000 0.029 0.000 0.826 393 A HN 0.321 nan 8.150 nan 0.000 0.444 394 R N -0.655 119.882 120.500 0.062 0.000 2.081 394 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 394 R C 2.489 178.934 176.300 0.242 0.000 1.131 394 R CA 1.212 57.370 56.100 0.097 0.000 0.960 394 R CB -0.539 29.766 30.300 0.008 0.000 0.856 394 R HN 0.530 nan 8.270 nan 0.000 0.436 395 A N 1.444 124.422 122.820 0.263 0.000 1.908 395 A HA -0.138 4.181 4.320 -0.000 0.000 0.218 395 A C 2.403 180.181 177.584 0.322 0.000 1.181 395 A CA 1.739 54.024 52.037 0.413 0.000 0.627 395 A CB -0.604 18.665 19.000 0.449 0.000 0.818 395 A HN 0.406 nan 8.150 nan 0.000 0.445 396 A N -1.182 121.748 122.820 0.183 0.000 1.858 396 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 396 A C 2.122 179.817 177.584 0.185 0.000 1.190 396 A CA 1.447 53.557 52.037 0.122 0.000 0.617 396 A CB -0.999 18.064 19.000 0.105 0.000 0.827 396 A HN 0.817 nan 8.150 nan 0.000 0.443 397 W N 1.060 122.406 121.300 0.077 0.000 2.317 397 W HA -0.202 4.458 4.660 -0.000 0.000 0.318 397 W C 1.885 178.463 176.519 0.098 0.000 1.227 397 W CA 2.197 59.582 57.345 0.067 0.000 1.269 397 W CB -0.499 28.977 29.460 0.026 0.000 1.155 397 W HN 0.584 nan 8.180 nan 0.000 0.484 398 E N -0.934 119.524 120.200 0.429 0.000 2.265 398 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 398 E C 1.982 178.754 176.600 0.287 0.000 0.996 398 E CA 1.778 58.391 56.400 0.356 0.000 0.832 398 E CB -0.265 29.680 29.700 0.408 0.000 0.756 398 E HN 0.151 nan 8.360 nan 0.000 0.491 399 T N 0.429 115.145 114.554 0.269 0.000 2.851 399 T HA -0.046 4.304 4.350 -0.000 0.000 0.262 399 T C 1.965 176.713 174.700 0.081 0.000 1.043 399 T CA 1.076 63.297 62.100 0.202 0.000 1.140 399 T CB -0.048 68.950 68.868 0.217 0.000 0.872 399 T HN 0.240 nan 8.240 nan 0.000 0.446 400 A N 1.112 123.929 122.820 -0.005 0.000 2.016 400 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 400 A C 1.260 178.779 177.584 -0.109 0.000 1.162 400 A CA 0.713 52.687 52.037 -0.105 0.000 0.662 400 A CB 0.126 18.982 19.000 -0.240 0.000 0.812 400 A HN 0.208 nan 8.150 nan 0.000 0.450 401 R N -1.013 119.439 120.500 -0.079 0.000 2.744 401 R HA 0.293 4.633 4.340 -0.000 0.000 0.279 401 R C -1.288 175.094 176.300 0.137 0.000 0.977 401 R CA -0.753 55.353 56.100 0.010 0.000 0.906 401 R CB 0.985 31.260 30.300 -0.041 0.000 1.197 401 R HN 0.480 nan 8.270 nan 0.000 0.463 402 H N 1.296 120.417 119.070 0.086 0.000 3.026 402 H HA 0.089 4.645 4.556 -0.000 0.000 0.289 402 H C -0.565 174.840 175.328 0.128 0.000 1.022 402 H CA 0.436 56.545 56.048 0.102 0.000 1.477 402 H CB 0.448 30.246 29.762 0.060 0.000 1.510 402 H HN 0.480 nan 8.280 nan 0.000 0.535 403 T N 4.944 119.221 114.554 -0.462 0.000 2.794 403 T HA 0.212 4.562 4.350 -0.000 0.000 0.280 403 T C -1.653 172.780 174.700 -0.445 0.000 0.987 403 T CA -1.854 60.077 62.100 -0.281 0.000 0.993 403 T CB 1.582 70.434 68.868 -0.027 0.000 0.939 403 T HN 0.431 nan 8.240 nan 0.000 0.449 404 P HA -0.151 nan 4.420 nan 0.000 0.214 404 P C 0.439 177.692 177.300 -0.078 0.000 1.164 404 P CA 0.766 63.813 63.100 -0.088 0.000 0.942 404 P CB -0.072 31.607 31.700 -0.036 0.000 0.791 405 V N 1.383 121.252 119.914 -0.075 0.000 2.427 405 V HA 0.171 4.291 4.120 -0.000 0.000 0.286 405 V C 0.477 176.508 176.094 -0.106 0.000 1.034 405 V CA -0.537 61.715 62.300 -0.081 0.000 0.893 405 V CB 1.103 32.885 31.823 -0.068 0.000 0.982 405 V HN 0.085 nan 8.190 nan 0.000 0.452 406 N N 3.386 121.978 118.700 -0.181 0.000 2.719 406 N HA 0.043 4.783 4.740 -0.000 0.000 0.243 406 N C 1.367 176.649 175.510 -0.380 0.000 1.104 406 N CA 0.191 53.064 53.050 -0.294 0.000 0.981 406 N CB 1.284 39.425 38.487 -0.578 0.000 1.290 406 N HN 0.826 nan 8.380 nan 0.000 0.513 407 S N 1.789 117.403 115.700 -0.144 0.000 2.400 407 S HA -0.148 4.322 4.470 -0.000 0.000 0.232 407 S C 1.861 176.413 174.600 -0.080 0.000 1.025 407 S CA 0.402 58.550 58.200 -0.086 0.000 0.993 407 S CB -0.458 62.745 63.200 0.006 0.000 0.808 407 S HN 0.789 nan 8.310 nan 0.000 0.478 408 W N 1.174 122.401 121.300 -0.120 0.000 2.350 408 W HA -0.049 4.610 4.660 -0.000 0.000 0.289 408 W C 1.675 178.099 176.519 -0.158 0.000 1.215 408 W CA 0.533 57.769 57.345 -0.182 0.000 1.236 408 W CB -1.030 28.041 29.460 -0.648 0.000 1.130 408 W HN 0.371 nan 8.180 nan 0.000 0.541 409 L N 2.787 123.330 121.223 -1.133 0.000 2.072 409 L HA 0.167 4.507 4.340 -0.000 0.000 0.205 409 L C 2.706 179.365 176.870 -0.352 0.000 1.079 409 L CA 2.762 57.037 54.840 -0.943 0.000 0.752 409 L CB -1.369 39.944 42.059 -1.242 0.000 0.906 409 L HN 0.042 nan 8.230 nan 0.000 0.436 410 G N -0.651 107.974 108.800 -0.291 0.000 2.418 410 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 410 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 410 G C 1.483 176.376 174.900 -0.013 0.000 1.158 410 G CA 0.786 45.796 45.100 -0.149 0.000 0.771 410 G HN 0.426 nan 8.290 nan 0.000 0.545 411 N N 0.646 119.401 118.700 0.092 0.000 2.120 411 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 411 N C 2.269 177.921 175.510 0.237 0.000 1.024 411 N CA 0.793 54.026 53.050 0.304 0.000 0.852 411 N CB -0.238 38.492 38.487 0.405 0.000 1.003 411 N HN 0.347 nan 8.380 nan 0.000 0.424 412 I N 0.928 121.596 120.570 0.163 0.000 2.226 412 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 412 I C 2.033 178.188 176.117 0.064 0.000 1.100 412 I CA 0.890 62.265 61.300 0.126 0.000 1.374 412 I CB -0.204 37.932 38.000 0.227 0.000 1.057 412 I HN 0.058 nan 8.210 nan 0.000 0.413 413 I N 0.023 120.630 120.570 0.063 0.000 2.142 413 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 413 I C 2.578 178.777 176.117 0.137 0.000 1.078 413 I CA 1.310 62.673 61.300 0.106 0.000 1.343 413 I CB -0.270 37.767 38.000 0.062 0.000 1.046 413 I HN 0.214 nan 8.210 nan 0.000 0.405 414 M N -0.527 119.068 119.600 -0.008 0.000 2.156 414 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 414 M C 1.281 177.342 176.300 -0.398 0.000 1.067 414 M CA 1.779 56.960 55.300 -0.199 0.000 1.131 414 M CB -0.920 31.428 32.600 -0.420 0.000 1.368 414 M HN 0.188 nan 8.290 nan 0.000 0.416 415 Y N -0.202 120.073 120.300 -0.041 0.000 2.756 415 Y HA 0.468 5.018 4.550 -0.000 0.000 0.300 415 Y C 1.836 177.455 175.900 -0.469 0.000 1.113 415 Y CA -0.281 57.678 58.100 -0.235 0.000 1.291 415 Y CB -1.055 37.213 38.460 -0.321 0.000 1.175 415 Y HN 0.171 nan 8.280 nan 0.000 0.534 416 A N 1.014 123.580 122.820 -0.423 0.000 1.917 416 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 416 A C -0.320 176.953 177.584 -0.520 0.000 1.182 416 A CA 1.676 53.434 52.037 -0.465 0.000 0.633 416 A CB -1.379 17.329 19.000 -0.486 0.000 0.819 416 A HN 0.290 nan 8.150 nan 0.000 0.448 417 P HA 0.018 nan 4.420 nan 0.000 0.233 417 P C 0.729 177.755 177.300 -0.456 0.000 1.167 417 P CA 1.236 64.052 63.100 -0.473 0.000 0.770 417 P CB -0.528 30.920 31.700 -0.419 0.000 0.837 418 T N -1.577 112.716 114.554 -0.435 0.000 2.900 418 T HA 0.138 4.487 4.350 -0.000 0.000 0.307 418 T C 1.335 175.607 174.700 -0.713 0.000 1.065 418 T CA -0.519 61.266 62.100 -0.524 0.000 1.105 418 T CB 0.499 68.841 68.868 -0.878 0.000 0.979 418 T HN -0.031 nan 8.240 nan 0.000 0.544 419 L N 0.880 121.575 121.223 -0.879 0.000 2.093 419 L HA 0.127 4.467 4.340 -0.000 0.000 0.208 419 L C 2.473 179.031 176.870 -0.520 0.000 1.085 419 L CA 0.838 55.172 54.840 -0.842 0.000 0.755 419 L CB -1.251 40.127 42.059 -1.136 0.000 0.904 419 L HN 0.876 nan 8.230 nan 0.000 0.435 420 W N 0.521 121.602 121.300 -0.367 0.000 2.381 420 W HA 0.110 4.770 4.660 -0.000 0.000 0.301 420 W C 2.192 178.570 176.519 -0.234 0.000 1.205 420 W CA 0.689 57.859 57.345 -0.292 0.000 1.285 420 W CB -1.279 28.047 29.460 -0.223 0.000 1.133 420 W HN 0.302 nan 8.180 nan 0.000 0.521 421 A N 1.903 124.324 122.820 -0.664 0.000 1.933 421 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 421 A C 2.253 179.702 177.584 -0.225 0.000 1.175 421 A CA 1.899 53.687 52.037 -0.414 0.000 0.628 421 A CB -0.758 17.838 19.000 -0.673 0.000 0.814 421 A HN 0.327 nan 8.150 nan 0.000 0.444 422 R N -1.378 118.905 120.500 -0.362 0.000 2.057 422 R HA 0.031 4.371 4.340 -0.000 0.000 0.229 422 R C 2.394 178.524 176.300 -0.284 0.000 1.136 422 R CA 1.513 57.419 56.100 -0.322 0.000 0.952 422 R CB -0.408 29.572 30.300 -0.533 0.000 0.848 422 R HN 0.622 nan 8.270 nan 0.000 0.430 423 M N 0.405 119.708 119.600 -0.496 0.000 2.099 423 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 423 M C 1.707 177.836 176.300 -0.284 0.000 1.067 423 M CA 1.860 56.911 55.300 -0.416 0.000 1.124 423 M CB 0.173 32.498 32.600 -0.458 0.000 1.353 423 M HN 0.101 nan 8.290 nan 0.000 0.410 424 I N -0.929 119.367 120.570 -0.457 0.000 2.900 424 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 424 I C 2.091 178.067 176.117 -0.236 0.000 1.102 424 I CA 0.234 61.051 61.300 -0.805 0.000 1.457 424 I CB -0.383 37.143 38.000 -0.790 0.000 1.285 424 I HN 0.217 nan 8.210 nan 0.000 0.459 425 L N 0.371 121.630 121.223 0.060 0.000 1.989 425 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 425 L C 2.726 179.920 176.870 0.540 0.000 1.071 425 L CA 1.764 56.841 54.840 0.394 0.000 0.749 425 L CB -0.534 41.795 42.059 0.450 0.000 0.890 425 L HN 0.280 nan 8.230 nan 0.000 0.431 426 M N -0.816 119.053 119.600 0.448 0.000 2.065 426 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 426 M C 2.343 179.142 176.300 0.832 0.000 1.069 426 M CA 2.255 57.929 55.300 0.624 0.000 1.110 426 M CB -0.763 31.982 32.600 0.240 0.000 1.328 426 M HN 0.272 nan 8.290 nan 0.000 0.405 427 T N -1.058 113.943 114.554 0.744 0.000 2.684 427 T HA -0.232 4.117 4.350 -0.000 0.000 0.267 427 T C 1.773 176.749 174.700 0.460 0.000 1.036 427 T CA 1.600 64.102 62.100 0.671 0.000 1.148 427 T CB -0.668 68.630 68.868 0.717 0.000 0.863 427 T HN 0.469 nan 8.240 nan 0.000 0.436 428 H N -0.001 119.217 119.070 0.246 0.000 2.321 428 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 428 H C 2.030 177.182 175.328 -0.294 0.000 1.087 428 H CA 1.529 57.567 56.048 -0.016 0.000 1.319 428 H CB -0.288 29.326 29.762 -0.247 0.000 1.379 428 H HN 0.360 nan 8.280 nan 0.000 0.501 429 F N -0.257 119.702 119.950 0.015 0.000 2.206 429 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 429 F C 2.407 178.077 175.800 -0.215 0.000 1.090 429 F CA 0.549 58.331 58.000 -0.363 0.000 1.323 429 F CB -0.679 37.800 39.000 -0.869 0.000 1.028 429 F HN 0.080 nan 8.300 nan 0.000 0.492 430 F N -0.560 119.513 119.950 0.205 0.000 2.234 430 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 430 F C 2.718 178.542 175.800 0.041 0.000 1.087 430 F CA 1.425 59.541 58.000 0.192 0.000 1.340 430 F CB -0.998 38.201 39.000 0.332 0.000 1.031 430 F HN -0.111 nan 8.300 nan 0.000 0.500 431 S N 0.442 116.209 115.700 0.112 0.000 2.353 431 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 431 S C 2.175 176.723 174.600 -0.087 0.000 1.035 431 S CA 1.551 59.736 58.200 -0.025 0.000 1.025 431 S CB -0.468 62.684 63.200 -0.081 0.000 0.902 431 S HN 0.309 nan 8.310 nan 0.000 0.440 432 I N 1.315 121.770 120.570 -0.193 0.000 2.226 432 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 432 I C 2.194 178.264 176.117 -0.077 0.000 1.100 432 I CA 1.035 62.229 61.300 -0.175 0.000 1.374 432 I CB -0.360 37.470 38.000 -0.283 0.000 1.057 432 I HN 0.313 nan 8.210 nan 0.000 0.413 433 L N 0.080 121.264 121.223 -0.065 0.000 2.042 433 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 433 L C 2.561 179.434 176.870 0.005 0.000 1.076 433 L CA 1.390 56.213 54.840 -0.029 0.000 0.749 433 L CB -0.587 41.412 42.059 -0.100 0.000 0.893 433 L HN 0.278 nan 8.230 nan 0.000 0.432 434 L N -0.390 120.846 121.223 0.022 0.000 1.989 434 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 434 L C 2.921 179.794 176.870 0.005 0.000 1.071 434 L CA 1.362 56.221 54.840 0.032 0.000 0.749 434 L CB -0.698 41.381 42.059 0.033 0.000 0.890 434 L HN 0.261 nan 8.230 nan 0.000 0.431 435 A N -0.262 122.548 122.820 -0.017 0.000 1.883 435 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 435 A C 2.073 179.652 177.584 -0.009 0.000 1.186 435 A CA 1.910 53.933 52.037 -0.023 0.000 0.624 435 A CB -0.532 18.442 19.000 -0.044 0.000 0.822 435 A HN 0.595 nan 8.150 nan 0.000 0.444 436 Q N -0.854 118.944 119.800 -0.004 0.000 2.403 436 Q HA 0.141 4.481 4.340 -0.000 0.000 0.203 436 Q C -0.709 175.303 176.000 0.020 0.000 0.932 436 Q CA 0.343 56.152 55.803 0.010 0.000 0.945 436 Q CB 0.093 28.843 28.738 0.020 0.000 1.045 436 Q HN 0.724 nan 8.270 nan 0.000 0.511 437 E N 0.767 120.979 120.200 0.021 0.000 2.297 437 E HA -0.236 4.114 4.350 -0.000 0.000 0.228 437 E C -0.314 176.309 176.600 0.038 0.000 1.213 437 E CA 0.151 56.569 56.400 0.030 0.000 0.712 437 E CB -1.004 28.711 29.700 0.025 0.000 1.202 437 E HN 0.445 nan 8.360 nan 0.000 0.376 438 Q N -0.362 119.462 119.800 0.041 0.000 2.165 438 Q HA 0.181 4.521 4.340 -0.000 0.000 0.245 438 Q C 1.583 177.615 176.000 0.053 0.000 0.841 438 Q CA -0.125 55.709 55.803 0.052 0.000 1.078 438 Q CB 0.489 29.265 28.738 0.063 0.000 1.169 438 Q HN 0.465 nan 8.270 nan 0.000 0.475 439 L N 0.459 121.715 121.223 0.054 0.000 2.131 439 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 439 L C 2.066 178.982 176.870 0.077 0.000 1.092 439 L CA 1.255 56.134 54.840 0.065 0.000 0.759 439 L CB -0.143 41.983 42.059 0.112 0.000 0.903 439 L HN 0.209 nan 8.230 nan 0.000 0.435 440 E N -0.009 120.233 120.200 0.071 0.000 2.216 440 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 440 E C 0.846 177.485 176.600 0.066 0.000 0.988 440 E CA 0.155 56.596 56.400 0.068 0.000 0.834 440 E CB -0.062 29.674 29.700 0.058 0.000 0.772 440 E HN 0.106 nan 8.360 nan 0.000 0.479 441 K N 2.304 122.744 120.400 0.067 0.000 2.430 441 K HA 0.070 4.390 4.320 -0.000 0.000 0.280 441 K C -0.614 176.029 176.600 0.071 0.000 1.063 441 K CA 0.025 56.355 56.287 0.071 0.000 1.071 441 K CB 0.185 32.733 32.500 0.080 0.000 0.899 441 K HN -0.007 nan 8.250 nan 0.000 0.473 442 A N 5.080 127.941 122.820 0.067 0.000 2.462 442 A HA 0.408 4.728 4.320 -0.000 0.000 0.243 442 A C -0.520 177.098 177.584 0.057 0.000 1.076 442 A CA -0.133 51.940 52.037 0.060 0.000 0.773 442 A CB 0.013 19.053 19.000 0.067 0.000 1.010 442 A HN 0.720 nan 8.150 nan 0.000 0.493 443 L N 1.413 122.648 121.223 0.021 0.000 2.371 443 L HA 0.407 4.747 4.340 -0.000 0.000 0.262 443 L C -0.865 175.986 176.870 -0.032 0.000 1.006 443 L CA -1.083 53.754 54.840 -0.005 0.000 0.818 443 L CB 2.094 44.111 42.059 -0.070 0.000 1.354 443 L HN 0.564 nan 8.230 nan 0.000 0.415 444 D N 0.997 121.388 120.400 -0.015 0.000 2.255 444 D HA 0.528 5.167 4.640 -0.000 0.000 0.249 444 D C -0.518 175.717 176.300 -0.108 0.000 1.078 444 D CA 0.042 54.033 54.000 -0.014 0.000 0.896 444 D CB 1.645 42.477 40.800 0.054 0.000 1.194 444 D HN 0.650 nan 8.370 nan 0.000 0.429 445 C N 0.171 119.406 119.300 -0.108 0.000 3.318 445 C HA 0.659 5.119 4.460 -0.000 0.000 0.322 445 C C -1.198 173.742 174.990 -0.084 0.000 1.398 445 C CA -0.878 58.046 59.018 -0.158 0.000 1.339 445 C CB 1.563 29.145 27.740 -0.264 0.000 1.668 445 C HN 0.527 nan 8.230 nan 0.000 0.462 446 Q N 0.440 120.192 119.800 -0.079 0.000 2.387 446 Q HA 0.783 5.123 4.340 -0.000 0.000 0.273 446 Q C -1.470 174.498 176.000 -0.055 0.000 1.089 446 Q CA -0.605 55.188 55.803 -0.017 0.000 0.824 446 Q CB 2.831 31.562 28.738 -0.012 0.000 1.367 446 Q HN 0.756 nan 8.270 nan 0.000 0.443 447 I N 2.057 122.613 120.570 -0.024 0.000 2.529 447 I HA 0.175 4.344 4.170 -0.000 0.000 0.284 447 I C -1.261 174.875 176.117 0.032 0.000 1.088 447 I CA -0.589 60.594 61.300 -0.194 0.000 1.062 447 I CB 1.183 38.763 38.000 -0.701 0.000 1.218 447 I HN 0.590 nan 8.210 nan 0.000 0.442 448 Y N 5.025 125.371 120.300 0.077 0.000 3.477 448 Y HA -0.236 4.314 4.550 -0.000 0.000 0.216 448 Y C 1.454 177.347 175.900 -0.012 0.000 1.296 448 Y CA 1.087 59.227 58.100 0.067 0.000 1.535 448 Y CB -1.920 36.584 38.460 0.075 0.000 1.482 448 Y HN 0.980 nan 8.280 nan 0.000 0.597 449 G N -1.887 107.019 108.800 0.177 0.000 2.284 449 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.261 449 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.261 449 G C 0.532 175.471 174.900 0.064 0.000 0.997 449 G CA 0.433 45.591 45.100 0.096 0.000 0.621 449 G HN 1.630 nan 8.290 nan 0.000 0.534 450 A N -0.569 122.300 122.820 0.083 0.000 2.316 450 A HA 0.628 4.948 4.320 -0.000 0.000 0.284 450 A C 0.714 178.114 177.584 -0.307 0.000 1.115 450 A CA 0.441 52.357 52.037 -0.201 0.000 0.812 450 A CB 0.915 19.720 19.000 -0.325 0.000 1.064 450 A HN 1.513 nan 8.150 nan 0.000 0.489 451 C N 2.397 121.407 119.300 -0.483 0.000 2.369 451 C HA 0.727 5.187 4.460 -0.000 0.000 0.358 451 C C -0.967 173.554 174.990 -0.781 0.000 1.274 451 C CA -0.412 58.385 59.018 -0.368 0.000 1.935 451 C CB -1.355 26.332 27.740 -0.089 0.000 2.431 451 C HN 0.639 nan 8.230 nan 0.000 0.545 452 Y N 2.868 122.959 120.300 -0.348 0.000 2.446 452 Y HA 0.435 4.985 4.550 -0.000 0.000 0.345 452 Y C 0.443 176.194 175.900 -0.249 0.000 0.984 452 Y CA -0.350 57.510 58.100 -0.401 0.000 1.058 452 Y CB 1.813 39.996 38.460 -0.462 0.000 1.220 452 Y HN 0.589 nan 8.280 nan 0.000 0.455 453 S N 3.989 119.643 115.700 -0.075 0.000 2.410 453 S HA 0.663 5.132 4.470 -0.000 0.000 0.304 453 S C -0.848 173.781 174.600 0.049 0.000 1.095 453 S CA -0.313 57.907 58.200 0.033 0.000 1.089 453 S CB -0.493 62.767 63.200 0.099 0.000 0.968 453 S HN 0.533 nan 8.310 nan 0.000 0.480 454 I N 3.759 124.344 120.570 0.025 0.000 2.545 454 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 454 I C -0.092 176.043 176.117 0.030 0.000 1.040 454 I CA -0.625 60.699 61.300 0.040 0.000 1.068 454 I CB 2.195 40.204 38.000 0.016 0.000 1.251 454 I HN 0.516 nan 8.210 nan 0.000 0.424 455 E N 7.094 127.331 120.200 0.061 0.000 2.194 455 E HA 0.167 4.517 4.350 -0.000 0.000 0.284 455 E C -1.682 174.970 176.600 0.088 0.000 1.035 455 E CA -1.608 54.833 56.400 0.068 0.000 0.836 455 E CB 1.248 30.993 29.700 0.075 0.000 1.070 455 E HN 0.304 nan 8.360 nan 0.000 0.401 456 P HA -0.218 nan 4.420 nan 0.000 0.217 456 P C 1.093 178.545 177.300 0.254 0.000 1.151 456 P CA 1.181 64.367 63.100 0.144 0.000 0.849 456 P CB 0.196 31.919 31.700 0.039 0.000 0.787 457 L N -0.699 120.645 121.223 0.202 0.000 2.261 457 L HA -0.155 4.185 4.340 -0.000 0.000 0.216 457 L C 1.429 178.396 176.870 0.162 0.000 1.114 457 L CA 1.286 56.254 54.840 0.213 0.000 0.777 457 L CB -0.748 41.400 42.059 0.148 0.000 0.910 457 L HN 0.007 nan 8.230 nan 0.000 0.440 458 D N -0.348 120.133 120.400 0.135 0.000 2.340 458 D HA -0.008 4.632 4.640 -0.000 0.000 0.220 458 D C 2.255 178.625 176.300 0.117 0.000 1.039 458 D CA 0.300 54.358 54.000 0.097 0.000 0.866 458 D CB 0.285 41.133 40.800 0.079 0.000 0.913 458 D HN 0.318 nan 8.370 nan 0.000 0.523 459 L N 1.073 122.405 121.223 0.182 0.000 2.013 459 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 459 L C -0.442 176.540 176.870 0.187 0.000 1.073 459 L CA 1.600 56.565 54.840 0.208 0.000 0.753 459 L CB -1.537 40.709 42.059 0.312 0.000 0.890 459 L HN 0.052 nan 8.230 nan 0.000 0.432 460 P HA -0.203 nan 4.420 nan 0.000 0.215 460 P C 1.341 178.716 177.300 0.124 0.000 1.157 460 P CA 1.377 64.535 63.100 0.096 0.000 0.874 460 P CB 0.023 31.585 31.700 -0.229 0.000 0.790 461 Q N -0.905 118.904 119.800 0.016 0.000 2.079 461 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 461 Q C 2.245 178.254 176.000 0.016 0.000 0.974 461 Q CA 1.144 56.945 55.803 -0.002 0.000 0.840 461 Q CB -0.973 27.741 28.738 -0.040 0.000 0.898 461 Q HN 0.248 nan 8.270 nan 0.000 0.430 462 I N 0.166 120.755 120.570 0.032 0.000 2.163 462 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 462 I C 2.024 178.171 176.117 0.050 0.000 1.085 462 I CA 1.283 62.587 61.300 0.007 0.000 1.347 462 I CB -0.264 37.792 38.000 0.094 0.000 1.044 462 I HN 0.193 nan 8.210 nan 0.000 0.408 463 I N 0.432 121.083 120.570 0.134 0.000 2.226 463 I HA -0.294 3.875 4.170 -0.000 0.000 0.245 463 I C 2.632 178.767 176.117 0.030 0.000 1.100 463 I CA 1.459 62.844 61.300 0.142 0.000 1.374 463 I CB -0.379 37.685 38.000 0.106 0.000 1.057 463 I HN 0.305 nan 8.210 nan 0.000 0.413 464 E N 1.335 121.586 120.200 0.085 0.000 2.031 464 E HA -0.309 4.041 4.350 -0.000 0.000 0.193 464 E C 2.340 178.934 176.600 -0.011 0.000 0.994 464 E CA 1.435 57.872 56.400 0.060 0.000 0.800 464 E CB -0.040 29.777 29.700 0.195 0.000 0.752 464 E HN 0.227 nan 8.360 nan 0.000 0.447 465 R N -0.261 120.218 120.500 -0.035 0.000 2.096 465 R HA -0.127 4.212 4.340 -0.000 0.000 0.235 465 R C 2.274 178.495 176.300 -0.132 0.000 1.127 465 R CA 1.104 57.152 56.100 -0.087 0.000 0.968 465 R CB -0.245 29.977 30.300 -0.130 0.000 0.861 465 R HN 0.238 nan 8.270 nan 0.000 0.440 466 L N -1.072 120.052 121.223 -0.166 0.000 2.068 466 L HA -0.036 4.304 4.340 -0.000 0.000 0.204 466 L C 1.360 177.914 176.870 -0.526 0.000 1.076 466 L CA 1.927 56.562 54.840 -0.341 0.000 0.753 466 L CB -0.162 41.683 42.059 -0.357 0.000 0.910 466 L HN 0.290 nan 8.230 nan 0.000 0.439 467 H N -1.694 117.298 119.070 -0.129 0.000 2.874 467 H HA 0.547 5.103 4.556 -0.000 0.000 0.264 467 H C 0.772 176.010 175.328 -0.151 0.000 1.007 467 H CA 0.208 56.166 56.048 -0.150 0.000 1.207 467 H CB 0.409 30.053 29.762 -0.198 0.000 1.487 467 H HN 0.285 nan 8.280 nan 0.000 0.505 468 G N 0.365 109.134 108.800 -0.051 0.000 2.746 468 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.685 468 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.685 468 G C 0.514 175.365 174.900 -0.080 0.000 1.350 468 G CA -0.260 44.815 45.100 -0.041 0.000 0.837 468 G HN 0.227 nan 8.290 nan 0.000 0.564 469 L N 1.070 122.309 121.223 0.028 0.000 2.187 469 L HA -0.137 4.202 4.340 -0.000 0.000 0.213 469 L C 3.264 180.156 176.870 0.036 0.000 1.100 469 L CA 2.300 57.224 54.840 0.140 0.000 0.765 469 L CB -0.579 41.617 42.059 0.230 0.000 0.904 469 L HN 0.945 nan 8.230 nan 0.000 0.437 470 S N 0.227 115.911 115.700 -0.025 0.000 2.402 470 S HA -0.269 4.201 4.470 -0.000 0.000 0.233 470 S C 2.164 176.679 174.600 -0.141 0.000 1.030 470 S CA 0.997 59.165 58.200 -0.052 0.000 1.003 470 S CB -0.601 62.559 63.200 -0.066 0.000 0.813 470 S HN 0.405 nan 8.310 nan 0.000 0.477 471 A N 0.952 123.595 122.820 -0.294 0.000 2.032 471 A HA 0.040 4.360 4.320 -0.000 0.000 0.221 471 A C 1.576 178.945 177.584 -0.358 0.000 1.165 471 A CA 1.348 53.128 52.037 -0.427 0.000 0.645 471 A CB -0.953 17.687 19.000 -0.600 0.000 0.807 471 A HN 0.609 nan 8.150 nan 0.000 0.453 472 F N -0.586 119.371 119.950 0.011 0.000 2.773 472 F HA 0.210 4.737 4.527 0.000 0.000 0.304 472 F C 1.503 177.332 175.800 0.049 0.000 1.129 472 F CA 0.556 58.581 58.000 0.041 0.000 1.378 472 F CB 0.123 39.177 39.000 0.090 0.000 1.095 472 F HN 0.078 nan 8.300 nan 0.000 0.565 473 S N -0.741 115.047 115.700 0.147 0.000 2.817 473 S HA 0.284 4.754 4.470 -0.000 0.000 0.262 473 S C 0.370 175.047 174.600 0.128 0.000 1.051 473 S CA -0.351 57.937 58.200 0.147 0.000 1.185 473 S CB 0.364 63.643 63.200 0.131 0.000 1.152 473 S HN -0.001 nan 8.310 nan 0.000 0.653 474 L N 4.663 125.863 121.223 -0.038 0.000 2.485 474 L HA 0.243 4.583 4.340 -0.000 0.000 0.275 474 L C 0.682 177.433 176.870 -0.200 0.000 1.207 474 L CA 0.525 55.207 54.840 -0.262 0.000 0.855 474 L CB 0.073 41.829 42.059 -0.505 0.000 1.114 474 L HN 0.525 nan 8.230 nan 0.000 0.485 475 H N -0.348 118.460 119.070 -0.436 0.000 2.918 475 H HA 0.202 4.758 4.556 -0.000 0.000 0.303 475 H C -0.288 174.848 175.328 -0.321 0.000 1.380 475 H CA -0.842 55.034 56.048 -0.287 0.000 1.134 475 H CB 1.230 30.957 29.762 -0.057 0.000 1.842 475 H HN 0.435 nan 8.280 nan 0.000 0.533 476 S N -0.183 115.496 115.700 -0.035 0.000 3.608 476 S HA -0.212 4.258 4.470 -0.000 0.000 0.382 476 S C -0.459 174.084 174.600 -0.094 0.000 0.945 476 S CA 0.494 58.677 58.200 -0.028 0.000 1.256 476 S CB -2.411 60.744 63.200 -0.075 0.000 0.913 476 S HN 0.454 nan 8.310 nan 0.000 0.518 477 Y N 1.676 121.997 120.300 0.034 0.000 2.330 477 Y HA 0.317 4.867 4.550 -0.000 0.000 0.341 477 Y C 1.396 177.338 175.900 0.070 0.000 1.278 477 Y CA 0.350 58.479 58.100 0.048 0.000 1.453 477 Y CB 0.397 38.887 38.460 0.050 0.000 1.342 477 Y HN 0.513 nan 8.280 nan 0.000 0.590 478 S N 2.082 117.938 115.700 0.259 0.000 2.572 478 S HA 0.090 4.560 4.470 -0.000 0.000 0.279 478 S C -1.855 172.825 174.600 0.134 0.000 1.341 478 S CA -1.142 57.149 58.200 0.151 0.000 1.043 478 S CB 1.061 64.328 63.200 0.112 0.000 0.887 478 S HN 0.461 nan 8.310 nan 0.000 0.516 479 P HA -0.041 nan 4.420 nan 0.000 0.216 479 P C 1.672 179.010 177.300 0.064 0.000 1.150 479 P CA 1.839 64.985 63.100 0.075 0.000 0.843 479 P CB -0.615 31.119 31.700 0.057 0.000 0.787 480 G N 0.181 109.015 108.800 0.056 0.000 2.421 480 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 480 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 480 G C 1.692 176.618 174.900 0.043 0.000 1.171 480 G CA 0.957 46.080 45.100 0.039 0.000 0.775 480 G HN 0.271 nan 8.290 nan 0.000 0.543 481 E N 0.670 120.913 120.200 0.071 0.000 2.051 481 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 481 E C 2.419 179.057 176.600 0.063 0.000 0.991 481 E CA 0.937 57.387 56.400 0.084 0.000 0.799 481 E CB -0.405 29.396 29.700 0.168 0.000 0.748 481 E HN 0.511 nan 8.360 nan 0.000 0.449 482 I N 0.628 121.245 120.570 0.077 0.000 2.179 482 I HA -0.292 3.877 4.170 -0.000 0.000 0.242 482 I C 1.917 178.054 176.117 0.035 0.000 1.088 482 I CA 1.109 62.442 61.300 0.054 0.000 1.357 482 I CB -0.434 37.615 38.000 0.081 0.000 1.051 482 I HN 0.164 nan 8.210 nan 0.000 0.409 483 N N 0.808 119.529 118.700 0.036 0.000 2.069 483 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 483 N C 1.868 177.382 175.510 0.006 0.000 1.031 483 N CA 1.291 54.355 53.050 0.023 0.000 0.852 483 N CB -0.493 38.008 38.487 0.023 0.000 1.018 483 N HN 0.283 nan 8.380 nan 0.000 0.423 484 R N 0.727 121.225 120.500 -0.003 0.000 2.083 484 R HA -0.085 4.255 4.340 -0.000 0.000 0.237 484 R C 1.876 178.144 176.300 -0.053 0.000 1.137 484 R CA 1.263 57.344 56.100 -0.032 0.000 0.951 484 R CB -0.290 29.984 30.300 -0.044 0.000 0.851 484 R HN 0.010 nan 8.270 nan 0.000 0.434 485 V N 0.867 120.754 119.914 -0.045 0.000 2.295 485 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 485 V C 2.482 178.559 176.094 -0.029 0.000 1.049 485 V CA 1.948 64.211 62.300 -0.061 0.000 1.024 485 V CB -0.823 30.985 31.823 -0.024 0.000 0.648 485 V HN 0.586 nan 8.190 nan 0.000 0.447 486 A N -0.680 122.141 122.820 0.001 0.000 1.908 486 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 486 A C 2.561 180.154 177.584 0.014 0.000 1.181 486 A CA 2.378 54.427 52.037 0.020 0.000 0.627 486 A CB -0.903 18.116 19.000 0.031 0.000 0.818 486 A HN 0.481 nan 8.150 nan 0.000 0.445 487 S N -1.224 114.478 115.700 0.003 0.000 2.359 487 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 487 S C 2.120 176.720 174.600 -0.001 0.000 1.035 487 S CA 1.716 59.918 58.200 0.004 0.000 1.018 487 S CB -0.985 62.212 63.200 -0.005 0.000 0.876 487 S HN 0.799 nan 8.310 nan 0.000 0.448 488 C N 1.168 120.452 119.300 -0.028 0.000 2.413 488 C HA -0.029 4.431 4.460 -0.000 0.000 0.276 488 C C 2.435 177.418 174.990 -0.012 0.000 1.236 488 C CA 1.025 60.019 59.018 -0.040 0.000 1.735 488 C CB -1.700 25.976 27.740 -0.106 0.000 2.031 488 C HN 0.560 nan 8.230 nan 0.000 0.474 489 L N 1.754 122.975 121.223 -0.003 0.000 2.042 489 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 489 L C 2.783 179.668 176.870 0.025 0.000 1.076 489 L CA 2.542 57.397 54.840 0.025 0.000 0.749 489 L CB -1.121 40.973 42.059 0.059 0.000 0.893 489 L HN 0.571 nan 8.230 nan 0.000 0.432 490 R N -0.146 120.376 120.500 0.036 0.000 2.115 490 R HA -0.135 4.205 4.340 -0.000 0.000 0.226 490 R C 2.207 178.570 176.300 0.105 0.000 1.100 490 R CA 1.469 57.603 56.100 0.056 0.000 0.980 490 R CB -0.452 29.883 30.300 0.058 0.000 0.875 490 R HN 0.262 nan 8.270 nan 0.000 0.445 491 K N 0.850 121.304 120.400 0.090 0.000 2.002 491 K HA -0.091 4.228 4.320 -0.000 0.000 0.209 491 K C 1.761 178.501 176.600 0.234 0.000 1.048 491 K CA 1.684 58.050 56.287 0.132 0.000 0.930 491 K CB -0.104 32.437 32.500 0.069 0.000 0.714 491 K HN 0.327 nan 8.250 nan 0.000 0.438 492 L N -0.031 121.259 121.223 0.112 0.000 2.554 492 L HA 0.108 4.448 4.340 -0.000 0.000 0.226 492 L C 0.770 177.523 176.870 -0.194 0.000 1.137 492 L CA 0.464 55.347 54.840 0.073 0.000 0.863 492 L CB 0.089 42.168 42.059 0.033 0.000 0.985 492 L HN 0.637 nan 8.230 nan 0.000 0.451 493 G N 0.874 109.464 108.800 -0.349 0.000 2.256 493 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.272 493 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.272 493 G C -0.074 174.684 174.900 -0.236 0.000 1.076 493 G CA 0.020 44.749 45.100 -0.619 0.000 0.882 493 G HN 0.086 nan 8.290 nan 0.000 0.497 494 V N 0.883 120.762 119.914 -0.058 0.000 2.607 494 V HA 0.449 4.569 4.120 -0.000 0.000 0.289 494 V C -1.068 175.110 176.094 0.139 0.000 1.053 494 V CA -1.488 60.870 62.300 0.096 0.000 0.996 494 V CB 1.467 33.387 31.823 0.161 0.000 0.995 494 V HN 0.242 nan 8.190 nan 0.000 0.476 495 P HA 0.165 nan 4.420 nan 0.000 0.269 495 P C -2.541 174.878 177.300 0.198 0.000 1.217 495 P CA -0.695 62.404 63.100 -0.000 0.000 0.783 495 P CB -0.165 31.297 31.700 -0.396 0.000 0.898 496 P HA 0.124 nan 4.420 nan 0.000 0.284 496 P C 0.728 178.222 177.300 0.324 0.000 1.292 496 P CA -0.533 62.693 63.100 0.211 0.000 0.800 496 P CB 0.620 32.384 31.700 0.108 0.000 1.188 497 L N 0.844 122.253 121.223 0.310 0.000 2.021 497 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 497 L C 2.679 179.731 176.870 0.303 0.000 1.074 497 L CA 2.037 57.080 54.840 0.337 0.000 0.760 497 L CB -1.168 41.025 42.059 0.222 0.000 0.889 497 L HN 0.379 nan 8.230 nan 0.000 0.433 498 R N -0.943 119.668 120.500 0.184 0.000 2.096 498 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 498 R C 2.067 178.434 176.300 0.113 0.000 1.139 498 R CA 2.308 58.487 56.100 0.132 0.000 0.952 498 R CB -0.417 29.921 30.300 0.062 0.000 0.854 498 R HN 0.414 nan 8.270 nan 0.000 0.436 499 V N -0.518 119.406 119.914 0.018 0.000 2.307 499 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 499 V C 1.943 177.994 176.094 -0.071 0.000 1.045 499 V CA 1.973 64.205 62.300 -0.112 0.000 1.024 499 V CB -0.642 30.978 31.823 -0.338 0.000 0.651 499 V HN 0.464 nan 8.190 nan 0.000 0.449 500 W N 0.183 121.601 121.300 0.197 0.000 2.358 500 W HA -0.159 4.501 4.660 -0.000 0.000 0.303 500 W C 2.766 179.484 176.519 0.333 0.000 1.208 500 W CA 1.663 59.166 57.345 0.263 0.000 1.274 500 W CB -0.318 29.311 29.460 0.282 0.000 1.138 500 W HN 0.054 nan 8.180 nan 0.000 0.515 501 R N 0.061 120.907 120.500 0.576 0.000 2.083 501 R HA -0.245 4.095 4.340 -0.000 0.000 0.237 501 R C 2.323 178.709 176.300 0.143 0.000 1.137 501 R CA 2.090 58.414 56.100 0.373 0.000 0.951 501 R CB -1.244 29.273 30.300 0.363 0.000 0.851 501 R HN 0.329 nan 8.270 nan 0.000 0.434 502 H N 0.682 119.792 119.070 0.067 0.000 2.319 502 H HA -0.145 4.411 4.556 -0.000 0.000 0.297 502 H C 2.015 177.321 175.328 -0.037 0.000 1.097 502 H CA 2.188 58.229 56.048 -0.012 0.000 1.285 502 H CB 0.041 29.785 29.762 -0.030 0.000 1.368 502 H HN 0.238 nan 8.280 nan 0.000 0.495 503 R N 0.178 120.626 120.500 -0.086 0.000 2.083 503 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 503 R C 2.734 178.935 176.300 -0.165 0.000 1.137 503 R CA 1.168 57.184 56.100 -0.139 0.000 0.951 503 R CB -0.364 29.949 30.300 0.022 0.000 0.851 503 R HN 0.351 nan 8.270 nan 0.000 0.434 504 A N 1.307 124.086 122.820 -0.067 0.000 1.908 504 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 504 A C 2.105 179.403 177.584 -0.477 0.000 1.181 504 A CA 1.472 53.326 52.037 -0.305 0.000 0.627 504 A CB -0.402 18.481 19.000 -0.195 0.000 0.818 504 A HN 0.243 nan 8.150 nan 0.000 0.445 505 R N -0.758 119.529 120.500 -0.354 0.000 2.120 505 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 505 R C 2.621 178.739 176.300 -0.304 0.000 1.123 505 R CA 1.367 57.279 56.100 -0.313 0.000 0.975 505 R CB -0.355 29.807 30.300 -0.229 0.000 0.866 505 R HN 0.561 nan 8.270 nan 0.000 0.446 506 S N 0.119 115.617 115.700 -0.337 0.000 2.355 506 S HA -0.083 4.387 4.470 -0.000 0.000 0.222 506 S C 2.014 176.461 174.600 -0.255 0.000 1.031 506 S CA 1.080 59.113 58.200 -0.279 0.000 0.993 506 S CB -0.107 62.913 63.200 -0.301 0.000 0.859 506 S HN 0.108 nan 8.310 nan 0.000 0.453 507 V N 2.531 122.251 119.914 -0.323 0.000 2.332 507 V HA -0.155 3.964 4.120 -0.000 0.000 0.248 507 V C 2.729 178.599 176.094 -0.372 0.000 1.055 507 V CA 2.292 64.388 62.300 -0.341 0.000 1.038 507 V CB -0.799 30.731 31.823 -0.488 0.000 0.651 507 V HN 0.508 nan 8.190 nan 0.000 0.450 508 R N 0.168 120.369 120.500 -0.498 0.000 2.073 508 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 508 R C 2.320 178.522 176.300 -0.163 0.000 1.134 508 R CA 1.777 57.688 56.100 -0.314 0.000 0.952 508 R CB -0.501 29.629 30.300 -0.283 0.000 0.850 508 R HN 0.470 nan 8.270 nan 0.000 0.433 509 A N 1.187 123.908 122.820 -0.166 0.000 1.883 509 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 509 A C 2.228 179.766 177.584 -0.077 0.000 1.186 509 A CA 1.628 53.600 52.037 -0.108 0.000 0.624 509 A CB -0.519 18.414 19.000 -0.112 0.000 0.822 509 A HN 0.393 nan 8.150 nan 0.000 0.444 510 R N -0.670 119.779 120.500 -0.084 0.000 2.073 510 R HA -0.071 4.268 4.340 -0.000 0.000 0.234 510 R C 2.151 178.442 176.300 -0.014 0.000 1.134 510 R CA 1.542 57.615 56.100 -0.046 0.000 0.952 510 R CB -0.584 29.688 30.300 -0.046 0.000 0.850 510 R HN 0.526 nan 8.270 nan 0.000 0.433 511 L N 0.648 121.865 121.223 -0.009 0.000 1.989 511 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 511 L C 2.456 179.345 176.870 0.031 0.000 1.071 511 L CA 1.410 56.276 54.840 0.043 0.000 0.749 511 L CB -0.557 41.545 42.059 0.072 0.000 0.890 511 L HN 0.215 nan 8.230 nan 0.000 0.431 512 L N -0.336 120.890 121.223 0.005 0.000 2.012 512 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 512 L C 2.889 179.761 176.870 0.003 0.000 1.073 512 L CA 1.694 56.536 54.840 0.004 0.000 0.748 512 L CB -0.778 41.270 42.059 -0.017 0.000 0.891 512 L HN 0.435 nan 8.230 nan 0.000 0.431 513 S N -0.744 114.952 115.700 -0.006 0.000 2.419 513 S HA -0.238 4.232 4.470 -0.000 0.000 0.233 513 S C 1.779 176.384 174.600 0.007 0.000 1.016 513 S CA 1.017 59.215 58.200 -0.004 0.000 0.974 513 S CB -0.369 62.824 63.200 -0.012 0.000 0.786 513 S HN 0.526 nan 8.310 nan 0.000 0.492 514 Q N 1.089 120.900 119.800 0.018 0.000 2.378 514 Q HA 0.288 4.628 4.340 -0.000 0.000 0.205 514 Q C 1.381 177.399 176.000 0.030 0.000 0.954 514 Q CA 0.217 56.036 55.803 0.027 0.000 0.901 514 Q CB -0.392 28.370 28.738 0.040 0.000 0.981 514 Q HN 0.758 nan 8.270 nan 0.000 0.483 515 G N 0.224 109.042 108.800 0.029 0.000 2.752 515 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.234 515 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.234 515 G C 0.425 175.347 174.900 0.038 0.000 1.367 515 G CA -0.300 44.817 45.100 0.029 0.000 0.879 515 G HN 0.753 nan 8.290 nan 0.000 0.563 516 G N -1.086 107.734 108.800 0.034 0.000 2.574 516 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.282 516 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.282 516 G C 1.138 176.064 174.900 0.043 0.000 1.257 516 G CA 1.337 46.458 45.100 0.036 0.000 0.956 516 G HN 1.446 nan 8.290 nan 0.000 0.560 517 R N 0.116 120.645 120.500 0.048 0.000 2.081 517 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 517 R C 3.265 179.616 176.300 0.085 0.000 1.131 517 R CA 2.014 58.148 56.100 0.056 0.000 0.960 517 R CB -0.694 29.644 30.300 0.064 0.000 0.856 517 R HN 0.760 nan 8.270 nan 0.000 0.436 518 A N 1.616 124.498 122.820 0.103 0.000 1.903 518 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 518 A C 2.432 180.082 177.584 0.109 0.000 1.191 518 A CA 2.063 54.182 52.037 0.137 0.000 0.638 518 A CB -0.808 18.264 19.000 0.120 0.000 0.823 518 A HN 0.431 nan 8.150 nan 0.000 0.451 519 A N -1.140 121.725 122.820 0.075 0.000 1.908 519 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 519 A C 2.304 179.933 177.584 0.075 0.000 1.181 519 A CA 2.435 54.509 52.037 0.061 0.000 0.627 519 A CB -1.395 17.631 19.000 0.044 0.000 0.818 519 A HN 0.485 nan 8.150 nan 0.000 0.445 520 T N -0.786 113.812 114.554 0.074 0.000 2.788 520 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 520 T C 1.886 176.640 174.700 0.090 0.000 1.044 520 T CA 1.470 63.624 62.100 0.091 0.000 1.139 520 T CB -0.753 68.101 68.868 -0.023 0.000 0.867 520 T HN 0.581 nan 8.240 nan 0.000 0.454 521 C N 1.426 120.763 119.300 0.061 0.000 2.436 521 C HA 0.022 4.482 4.460 -0.000 0.000 0.277 521 C C 3.161 178.177 174.990 0.044 0.000 1.241 521 C CA 0.601 59.629 59.018 0.016 0.000 1.721 521 C CB -1.535 26.254 27.740 0.082 0.000 2.043 521 C HN 0.725 nan 8.230 nan 0.000 0.472 522 G N 0.118 108.988 108.800 0.115 0.000 2.440 522 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 522 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 522 G C 1.612 176.577 174.900 0.108 0.000 1.154 522 G CA 1.270 46.471 45.100 0.169 0.000 0.767 522 G HN 0.660 nan 8.290 nan 0.000 0.552 523 K N -0.785 119.646 120.400 0.051 0.000 1.985 523 K HA -0.109 4.211 4.320 -0.000 0.000 0.210 523 K C 2.273 178.764 176.600 -0.181 0.000 1.047 523 K CA 1.332 57.589 56.287 -0.050 0.000 0.932 523 K CB -0.346 32.142 32.500 -0.019 0.000 0.716 523 K HN 0.354 nan 8.250 nan 0.000 0.439 524 Y N 1.132 121.251 120.300 -0.302 0.000 2.153 524 Y HA -0.082 4.468 4.550 -0.000 0.000 0.289 524 Y C 2.146 177.772 175.900 -0.457 0.000 1.127 524 Y CA 1.173 58.915 58.100 -0.596 0.000 1.131 524 Y CB -0.326 37.477 38.460 -1.095 0.000 0.995 524 Y HN -0.003 nan 8.280 nan 0.000 0.505 525 L N -1.885 119.198 121.223 -0.233 0.000 2.131 525 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 525 L C 0.864 177.423 176.870 -0.517 0.000 1.092 525 L CA 1.319 55.935 54.840 -0.374 0.000 0.759 525 L CB -0.451 41.138 42.059 -0.785 0.000 0.903 525 L HN 0.164 nan 8.230 nan 0.000 0.435 526 F N -1.260 118.655 119.950 -0.059 0.000 2.708 526 F HA 0.179 4.705 4.527 -0.000 0.000 0.300 526 F C 1.620 177.159 175.800 -0.436 0.000 1.118 526 F CA -0.407 57.390 58.000 -0.338 0.000 1.307 526 F CB -0.530 38.259 39.000 -0.351 0.000 0.986 526 F HN -0.070 nan 8.300 nan 0.000 0.522 527 N N 1.203 119.849 118.700 -0.090 0.000 2.223 527 N HA -0.205 4.535 4.740 -0.000 0.000 0.185 527 N C 2.061 177.548 175.510 -0.037 0.000 1.016 527 N CA 1.742 54.742 53.050 -0.083 0.000 0.863 527 N CB -0.223 38.222 38.487 -0.071 0.000 0.983 527 N HN 0.535 nan 8.380 nan 0.000 0.429 528 W N -0.012 121.323 121.300 0.058 0.000 2.350 528 W HA -0.002 4.658 4.660 0.000 0.000 0.289 528 W C 1.352 177.925 176.519 0.090 0.000 1.215 528 W CA 0.866 58.255 57.345 0.073 0.000 1.236 528 W CB -1.028 28.488 29.460 0.094 0.000 1.130 528 W HN 0.067 nan 8.180 nan 0.000 0.541 529 A N 1.339 123.758 122.820 -0.668 0.000 2.206 529 A HA 0.220 4.540 4.320 -0.000 0.000 0.211 529 A C 0.922 178.373 177.584 -0.222 0.000 1.158 529 A CA 1.056 52.749 52.037 -0.574 0.000 0.761 529 A CB -0.846 17.547 19.000 -1.012 0.000 0.801 529 A HN 0.191 nan 8.150 nan 0.000 0.473 530 V N -3.327 116.495 119.914 -0.153 0.000 2.628 530 V HA 0.479 4.599 4.120 -0.000 0.000 0.306 530 V C 0.906 176.975 176.094 -0.042 0.000 1.045 530 V CA -0.529 61.716 62.300 -0.091 0.000 0.905 530 V CB 1.622 33.382 31.823 -0.105 0.000 0.997 530 V HN 0.320 nan 8.190 nan 0.000 0.436 531 K N 2.393 122.777 120.400 -0.027 0.000 2.026 531 K HA -0.044 4.275 4.320 -0.000 0.000 0.208 531 K C 0.855 177.440 176.600 -0.026 0.000 1.048 531 K CA 1.859 58.137 56.287 -0.016 0.000 0.929 531 K CB -0.202 32.292 32.500 -0.011 0.000 0.713 531 K HN 0.878 nan 8.250 nan 0.000 0.439 532 T N 3.601 118.134 114.554 -0.034 0.000 2.992 532 T HA 0.152 4.502 4.350 -0.000 0.000 0.299 532 T C -0.700 173.971 174.700 -0.048 0.000 1.027 532 T CA -0.502 61.575 62.100 -0.037 0.000 1.001 532 T CB 0.591 69.438 68.868 -0.035 0.000 1.005 532 T HN 0.099 nan 8.240 nan 0.000 0.599 533 K N 2.986 123.358 120.400 -0.048 0.000 2.319 533 K HA 0.321 4.641 4.320 -0.000 0.000 0.265 533 K C 0.387 176.944 176.600 -0.072 0.000 1.000 533 K CA -0.374 55.877 56.287 -0.060 0.000 0.943 533 K CB 1.094 33.565 32.500 -0.049 0.000 0.950 533 K HN 0.443 nan 8.250 nan 0.000 0.485 534 L N 1.298 122.461 121.223 -0.101 0.000 2.469 534 L HA 0.321 4.661 4.340 -0.000 0.000 0.253 534 L C 0.508 177.299 176.870 -0.131 0.000 1.143 534 L CA -0.718 54.053 54.840 -0.114 0.000 0.804 534 L CB 0.327 42.299 42.059 -0.146 0.000 1.214 534 L HN 0.385 nan 8.230 nan 0.000 0.476 535 K N 1.624 121.951 120.400 -0.123 0.000 2.265 535 K HA 0.444 4.763 4.320 -0.000 0.000 0.267 535 K C -1.070 175.433 176.600 -0.163 0.000 0.994 535 K CA -0.439 55.779 56.287 -0.114 0.000 0.860 535 K CB 1.372 33.837 32.500 -0.058 0.000 1.099 535 K HN 0.399 nan 8.250 nan 0.000 0.448 536 L N 4.566 125.667 121.223 -0.203 0.000 2.401 536 L HA 0.105 4.445 4.340 -0.000 0.000 0.283 536 L C 0.812 177.696 176.870 0.024 0.000 1.151 536 L CA -0.414 54.260 54.840 -0.277 0.000 0.942 536 L CB -0.656 41.209 42.059 -0.322 0.000 1.283 536 L HN 0.700 nan 8.230 nan 0.000 0.442 537 T N 0.415 115.022 114.554 0.087 0.000 2.847 537 T HA 0.412 4.762 4.350 -0.000 0.000 0.279 537 T C -2.443 172.381 174.700 0.207 0.000 0.984 537 T CA -2.057 60.118 62.100 0.126 0.000 0.988 537 T CB 0.820 69.739 68.868 0.085 0.000 1.040 537 T HN 0.167 nan 8.240 nan 0.000 0.528 538 P HA 0.191 nan 4.420 nan 0.000 0.263 538 P C -0.356 176.992 177.300 0.080 0.000 1.195 538 P CA -0.019 63.153 63.100 0.120 0.000 0.762 538 P CB -0.097 31.647 31.700 0.073 0.000 0.799 539 I N 6.889 127.471 120.570 0.021 0.000 2.517 539 I HA 0.039 4.209 4.170 -0.000 0.000 0.285 539 I C -1.069 175.024 176.117 -0.040 0.000 1.106 539 I CA -1.537 59.716 61.300 -0.078 0.000 1.402 539 I CB 0.737 38.584 38.000 -0.256 0.000 1.399 539 I HN 0.310 nan 8.210 nan 0.000 0.535 540 P HA -0.163 nan 4.420 nan 0.000 0.218 540 P C 1.291 178.573 177.300 -0.029 0.000 1.149 540 P CA 0.897 63.986 63.100 -0.018 0.000 0.817 540 P CB 0.208 31.902 31.700 -0.010 0.000 0.785 541 A N -0.281 122.514 122.820 -0.042 0.000 2.172 541 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 541 A C 2.200 179.755 177.584 -0.048 0.000 1.154 541 A CA 1.491 53.504 52.037 -0.041 0.000 0.701 541 A CB -1.279 17.695 19.000 -0.043 0.000 0.789 541 A HN 0.202 nan 8.150 nan 0.000 0.465 542 A N 0.714 123.504 122.820 -0.050 0.000 1.845 542 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 542 A C 2.471 180.019 177.584 -0.059 0.000 1.195 542 A CA 2.195 54.201 52.037 -0.052 0.000 0.616 542 A CB -1.209 17.772 19.000 -0.032 0.000 0.832 542 A HN 1.129 nan 8.150 nan 0.000 0.443 543 S N -0.177 115.496 115.700 -0.045 0.000 2.462 543 S HA -0.261 4.209 4.470 -0.000 0.000 0.243 543 S C 1.531 176.098 174.600 -0.054 0.000 1.003 543 S CA 1.696 59.869 58.200 -0.046 0.000 0.970 543 S CB -0.544 62.639 63.200 -0.029 0.000 0.762 543 S HN 0.738 nan 8.310 nan 0.000 0.510 544 Q N 0.209 119.975 119.800 -0.056 0.000 2.384 544 Q HA 0.403 4.742 4.340 -0.000 0.000 0.207 544 Q C 0.239 176.193 176.000 -0.075 0.000 0.904 544 Q CA -0.283 55.487 55.803 -0.055 0.000 0.933 544 Q CB -0.085 28.629 28.738 -0.039 0.000 1.077 544 Q HN 0.489 nan 8.270 nan 0.000 0.522 545 L N 1.257 122.418 121.223 -0.103 0.000 2.473 545 L HA -0.061 4.279 4.340 -0.000 0.000 0.280 545 L C 0.418 177.188 176.870 -0.166 0.000 1.266 545 L CA 0.393 55.146 54.840 -0.145 0.000 0.824 545 L CB 0.190 42.116 42.059 -0.222 0.000 1.091 545 L HN -0.024 nan 8.230 nan 0.000 0.534 546 D N 0.560 120.846 120.400 -0.189 0.000 2.736 546 D HA 0.222 4.862 4.640 -0.000 0.000 0.293 546 D C 0.141 176.234 176.300 -0.345 0.000 1.241 546 D CA -0.283 53.609 54.000 -0.180 0.000 0.965 546 D CB 0.272 41.020 40.800 -0.088 0.000 0.992 546 D HN 0.195 nan 8.370 nan 0.000 0.510 547 L N 1.289 122.215 121.223 -0.496 0.000 2.718 547 L HA 0.187 4.527 4.340 -0.000 0.000 0.242 547 L C 0.357 176.923 176.870 -0.507 0.000 1.203 547 L CA 0.173 54.468 54.840 -0.908 0.000 1.011 547 L CB -1.121 40.444 42.059 -0.823 0.000 1.250 547 L HN 0.156 nan 8.230 nan 0.000 0.437 548 S N -2.361 113.192 115.700 -0.246 0.000 2.617 548 S HA 0.745 5.215 4.470 -0.000 0.000 0.283 548 S C 1.231 175.850 174.600 0.033 0.000 1.189 548 S CA -0.220 57.942 58.200 -0.064 0.000 1.036 548 S CB 1.797 64.973 63.200 -0.040 0.000 1.014 548 S HN 0.363 nan 8.310 nan 0.000 0.522 549 G N 0.487 109.345 108.800 0.096 0.000 2.268 549 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.240 549 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.240 549 G C 0.619 175.648 174.900 0.215 0.000 1.010 549 G CA 0.286 45.462 45.100 0.127 0.000 0.618 549 G HN 0.662 nan 8.290 nan 0.000 0.516 550 W N 0.359 121.523 121.300 -0.226 0.000 2.358 550 W HA 0.405 5.065 4.660 -0.000 0.000 0.303 550 W C 1.161 177.133 176.519 -0.911 0.000 1.208 550 W CA 1.363 58.316 57.345 -0.654 0.000 1.274 550 W CB -0.386 28.481 29.460 -0.989 0.000 1.138 550 W HN 0.215 nan 8.180 nan 0.000 0.515 551 F N -0.845 119.295 119.950 0.317 0.000 2.471 551 F HA 0.322 4.849 4.527 -0.000 0.000 0.318 551 F C 0.537 176.489 175.800 0.254 0.000 1.308 551 F CA -0.451 57.738 58.000 0.315 0.000 1.162 551 F CB -0.038 39.093 39.000 0.219 0.000 1.383 551 F HN -0.403 nan 8.300 nan 0.000 0.552 552 V N 0.068 120.190 119.914 0.347 0.000 2.996 552 V HA 0.632 4.752 4.120 -0.000 0.000 0.235 552 V C 0.764 177.008 176.094 0.249 0.000 1.205 552 V CA 0.666 63.114 62.300 0.247 0.000 1.225 552 V CB 0.766 32.706 31.823 0.197 0.000 0.995 552 V HN 0.429 nan 8.190 nan 0.000 0.484 553 A N -0.847 122.081 122.820 0.180 0.000 2.602 553 A HA 0.774 5.094 4.320 -0.000 0.000 0.290 553 A C -0.266 176.961 177.584 -0.594 0.000 1.114 553 A CA 0.098 52.096 52.037 -0.065 0.000 0.683 553 A CB 1.019 19.852 19.000 -0.279 0.000 1.281 553 A HN 0.389 nan 8.150 nan 0.000 0.416 554 G N -1.405 106.697 108.800 -1.163 0.000 2.425 554 G HA2 0.534 4.494 3.960 -0.000 0.000 0.302 554 G HA3 0.534 4.494 3.960 -0.000 0.000 0.302 554 G C -0.856 173.325 174.900 -1.197 0.000 1.159 554 G CA -0.059 43.999 45.100 -1.736 0.000 0.865 554 G HN 0.622 nan 8.290 nan 0.000 0.515 555 Y N 0.167 120.255 120.300 -0.354 0.000 2.809 555 Y HA 0.299 4.849 4.550 -0.000 0.000 0.251 555 Y C 1.260 177.090 175.900 -0.117 0.000 1.136 555 Y CA -0.836 57.164 58.100 -0.166 0.000 1.185 555 Y CB 0.446 38.847 38.460 -0.098 0.000 1.260 555 Y HN 0.477 nan 8.280 nan 0.000 0.576 556 S N 0.572 116.248 115.700 -0.039 0.000 2.544 556 S HA 0.337 4.807 4.470 -0.000 0.000 0.290 556 S C 1.389 176.016 174.600 0.044 0.000 1.276 556 S CA 1.481 59.693 58.200 0.020 0.000 1.075 556 S CB 0.034 63.250 63.200 0.026 0.000 0.849 556 S HN 1.009 nan 8.310 nan 0.000 0.494 557 G N 3.478 112.306 108.800 0.047 0.000 2.184 557 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 557 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 557 G C 0.790 175.730 174.900 0.066 0.000 0.975 557 G CA 0.422 45.555 45.100 0.055 0.000 0.642 557 G HN 1.206 nan 8.290 nan 0.000 0.536 558 G N -0.214 108.633 108.800 0.078 0.000 2.985 558 G HA2 0.385 4.345 3.960 -0.000 0.000 0.209 558 G HA3 0.385 4.345 3.960 -0.000 0.000 0.209 558 G C 0.481 175.413 174.900 0.054 0.000 1.165 558 G CA 1.114 46.278 45.100 0.108 0.000 0.776 558 G HN 1.219 nan 8.290 nan 0.000 0.541 559 D N -0.435 119.960 120.400 -0.007 0.000 2.699 559 D HA -0.164 4.476 4.640 -0.000 0.000 0.239 559 D C -0.050 176.185 176.300 -0.108 0.000 1.136 559 D CA 0.340 54.304 54.000 -0.060 0.000 0.668 559 D CB -1.184 39.593 40.800 -0.038 0.000 1.060 559 D HN 0.112 nan 8.370 nan 0.000 0.429 560 I N 1.193 121.660 120.570 -0.172 0.000 2.412 560 I HA 0.434 4.604 4.170 -0.000 0.000 0.296 560 I C 0.068 175.934 176.117 -0.419 0.000 0.987 560 I CA -0.753 60.334 61.300 -0.355 0.000 1.180 560 I CB 1.296 38.952 38.000 -0.573 0.000 1.340 560 I HN 0.132 nan 8.210 nan 0.000 0.455 561 Y N 5.291 125.214 120.300 -0.628 0.000 2.512 561 Y HA 0.513 5.063 4.550 -0.000 0.000 0.348 561 Y C -1.123 174.375 175.900 -0.670 0.000 0.990 561 Y CA -0.604 57.136 58.100 -0.599 0.000 1.033 561 Y CB 1.695 39.941 38.460 -0.356 0.000 1.259 561 Y HN 0.590 nan 8.280 nan 0.000 0.461 562 H N 2.295 120.641 119.070 -1.208 0.000 2.600 562 H HA 0.490 5.046 4.556 -0.000 0.000 0.357 562 H C -0.433 174.393 175.328 -0.837 0.000 1.106 562 H CA -1.083 54.454 56.048 -0.852 0.000 1.193 562 H CB 1.797 31.058 29.762 -0.836 0.000 1.594 562 H HN 0.744 nan 8.280 nan 0.000 0.526 563 S N 0.000 115.561 115.700 -0.231 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.134 58.200 -0.109 0.000 1.107 563 S CB 0.000 63.206 63.200 0.010 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517