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 1c2p_1_B DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNXVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE XKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIXA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKXALYDVVS TLPQVVXGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPXGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTXLVNGDDL VVICESAGVQ EDAASLRAFT EAXTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIXYAPTLW ARXILXTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSLSR 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.236 175.328 -0.153 0.000 0.993 1 H CA 0.000 55.947 56.048 -0.169 0.000 1.023 1 H CB 0.000 29.687 29.762 -0.126 0.000 1.292 2 H N 0.342 119.435 119.070 0.039 0.000 2.629 2 H HA 0.086 4.642 4.556 0.000 0.000 0.357 2 H C 1.305 176.561 175.328 -0.120 0.000 1.121 2 H CA 0.339 56.381 56.048 -0.011 0.000 1.406 2 H CB 1.417 31.172 29.762 -0.011 0.000 1.456 2 H HN 0.324 nan 8.280 nan 0.000 0.579 3 S N 2.031 117.679 115.700 -0.088 0.000 2.382 3 S HA -0.131 4.340 4.470 0.001 0.000 0.228 3 S C -0.048 174.203 174.600 -0.582 0.000 1.027 3 S CA 1.037 59.010 58.200 -0.377 0.000 0.991 3 S CB 0.007 62.885 63.200 -0.537 0.000 0.823 3 S HN 0.521 nan 8.310 nan 0.000 0.469 4 Y N 0.585 120.742 120.300 -0.238 0.000 2.597 4 Y HA 0.551 5.102 4.550 0.000 0.000 0.340 4 Y C -0.189 175.378 175.900 -0.556 0.000 1.097 4 Y CA -0.941 56.858 58.100 -0.503 0.000 1.037 4 Y CB 1.934 39.867 38.460 -0.879 0.000 1.305 4 Y HN 0.119 nan 8.280 nan 0.000 0.463 5 T N -2.302 111.969 114.554 -0.472 0.000 2.876 5 T HA 0.711 5.061 4.350 0.001 0.000 0.289 5 T C -1.348 173.079 174.700 -0.455 0.000 1.014 5 T CA -0.803 61.103 62.100 -0.323 0.000 0.986 5 T CB 1.155 69.974 68.868 -0.082 0.000 1.021 5 T HN 0.554 nan 8.240 nan 0.000 0.458 6 W N 0.810 122.157 121.300 0.078 0.000 2.781 6 W HA 0.501 5.161 4.660 0.000 0.000 0.345 6 W C 1.349 177.890 176.519 0.037 0.000 1.085 6 W CA -0.806 56.569 57.345 0.051 0.000 1.198 6 W CB 2.142 31.610 29.460 0.014 0.000 1.423 6 W HN 0.887 nan 8.180 nan 0.000 0.532 7 T N -2.720 112.014 114.554 0.300 0.000 3.040 7 T HA 0.345 4.696 4.350 0.001 0.000 0.252 7 T C 1.387 176.164 174.700 0.128 0.000 1.064 7 T CA 0.868 63.068 62.100 0.167 0.000 1.110 7 T CB 0.154 69.100 68.868 0.129 0.000 0.921 7 T HN 1.196 nan 8.240 nan 0.000 0.480 8 G N 1.335 110.213 108.800 0.130 0.000 2.253 8 G HA2 0.063 4.023 3.960 0.001 0.000 0.209 8 G HA3 0.063 4.023 3.960 0.001 0.000 0.209 8 G C 0.389 175.301 174.900 0.020 0.000 0.997 8 G CA -0.151 44.979 45.100 0.051 0.000 0.640 8 G HN 1.064 nan 8.290 nan 0.000 0.496 9 A N 0.929 123.776 122.820 0.045 0.000 2.520 9 A HA 0.594 4.914 4.320 0.001 0.000 0.235 9 A C 0.797 178.376 177.584 -0.008 0.000 1.065 9 A CA 0.354 52.406 52.037 0.024 0.000 0.764 9 A CB 0.143 19.169 19.000 0.044 0.000 1.002 9 A HN 0.896 nan 8.150 nan 0.000 0.502 10 L N 1.754 122.964 121.223 -0.022 0.000 2.418 10 L HA 0.291 4.631 4.340 0.001 0.000 0.265 10 L C 0.068 176.913 176.870 -0.042 0.000 1.143 10 L CA -0.286 54.525 54.840 -0.049 0.000 0.809 10 L CB 0.768 42.803 42.059 -0.041 0.000 1.124 10 L HN 0.559 nan 8.230 nan 0.000 0.456 11 I N 1.844 122.373 120.570 -0.069 0.000 2.322 11 I HA 0.088 4.258 4.170 0.001 0.000 0.292 11 I C 0.503 176.605 176.117 -0.026 0.000 1.060 11 I CA -0.078 61.194 61.300 -0.046 0.000 1.309 11 I CB 0.849 38.804 38.000 -0.076 0.000 1.415 11 I HN 0.657 nan 8.210 nan 0.000 0.492 12 T N 5.008 119.557 114.554 -0.007 0.000 2.929 12 T HA 0.567 4.917 4.350 0.001 0.000 0.284 12 T C -2.308 172.400 174.700 0.014 0.000 1.014 12 T CA -1.845 60.255 62.100 0.001 0.000 1.051 12 T CB 1.615 70.484 68.868 0.001 0.000 1.028 12 T HN 0.286 nan 8.240 nan 0.000 0.485 13 P HA 0.314 nan 4.420 nan 0.000 0.276 13 P C 0.052 177.368 177.300 0.028 0.000 1.252 13 P CA -0.677 62.439 63.100 0.026 0.000 0.802 13 P CB 1.045 32.760 31.700 0.026 0.000 1.035 14 C N 0.064 119.384 119.300 0.034 0.000 2.735 14 C HA 0.585 5.046 4.460 0.001 0.000 0.271 14 C C 0.993 175.997 174.990 0.024 0.000 1.281 14 C CA 0.987 60.024 59.018 0.031 0.000 1.719 14 C CB -0.974 26.791 27.740 0.041 0.000 2.024 14 C HN 0.768 nan 8.230 nan 0.000 0.566 15 A N -0.781 122.055 122.820 0.027 0.000 2.483 15 A HA 0.692 5.012 4.320 0.001 0.000 0.306 15 A C -0.958 176.646 177.584 0.033 0.000 1.137 15 A CA 0.181 52.233 52.037 0.026 0.000 0.626 15 A CB -0.427 18.588 19.000 0.026 0.000 1.352 15 A HN 0.707 nan 8.150 nan 0.000 0.508 16 A N 0.015 122.857 122.820 0.036 0.000 2.511 16 A HA 0.518 4.838 4.320 0.001 0.000 0.242 16 A C 0.006 177.626 177.584 0.060 0.000 1.069 16 A CA 0.564 52.627 52.037 0.044 0.000 0.763 16 A CB -0.374 18.652 19.000 0.043 0.000 1.001 16 A HN 0.582 nan 8.150 nan 0.000 0.498 17 E N 1.343 121.584 120.200 0.068 0.000 2.238 17 E HA 0.423 4.774 4.350 0.001 0.000 0.267 17 E C -1.056 175.617 176.600 0.122 0.000 0.887 17 E CA -0.540 55.913 56.400 0.089 0.000 0.769 17 E CB 1.979 31.722 29.700 0.071 0.000 1.187 17 E HN 0.759 nan 8.360 nan 0.000 0.416 18 E N 0.705 121.017 120.200 0.187 0.000 2.183 18 E HA 0.210 4.560 4.350 0.001 0.000 0.271 18 E C -0.020 176.785 176.600 0.341 0.000 0.919 18 E CA -0.265 56.288 56.400 0.255 0.000 0.781 18 E CB 1.682 31.578 29.700 0.327 0.000 1.140 18 E HN 0.563 nan 8.360 nan 0.000 0.402 19 S N 2.021 117.908 115.700 0.311 0.000 2.564 19 S HA 0.012 4.483 4.470 0.001 0.000 0.231 19 S C 0.642 175.512 174.600 0.449 0.000 1.067 19 S CA -0.285 58.118 58.200 0.338 0.000 0.908 19 S CB 0.014 63.349 63.200 0.225 0.000 0.809 19 S HN 0.403 nan 8.310 nan 0.000 0.491 20 K N 2.016 122.606 120.400 0.316 0.000 2.218 20 K HA 0.377 4.697 4.320 0.001 0.000 0.276 20 K C -0.439 176.218 176.600 0.095 0.000 1.022 20 K CA -0.783 55.640 56.287 0.226 0.000 0.946 20 K CB 0.901 33.467 32.500 0.110 0.000 1.000 20 K HN 0.237 nan 8.250 nan 0.000 0.468 21 L N 3.803 125.061 121.223 0.058 0.000 2.615 21 L HA 0.092 4.433 4.340 0.001 0.000 0.271 21 L C -2.372 174.232 176.870 -0.444 0.000 1.183 21 L CA -0.892 53.780 54.840 -0.280 0.000 0.933 21 L CB -0.234 41.804 42.059 -0.036 0.000 1.199 21 L HN 0.540 nan 8.230 nan 0.000 0.487 22 P HA 0.221 nan 4.420 nan 0.000 0.271 22 P C -1.011 176.045 177.300 -0.407 0.000 1.218 22 P CA -0.055 62.743 63.100 -0.504 0.000 0.780 22 P CB 0.618 31.953 31.700 -0.607 0.000 0.901 23 I N 2.946 123.338 120.570 -0.296 0.000 2.465 23 I HA 0.362 4.532 4.170 0.001 0.000 0.291 23 I C 0.298 176.304 176.117 -0.186 0.000 1.014 23 I CA -0.652 60.480 61.300 -0.279 0.000 1.093 23 I CB 1.524 39.351 38.000 -0.287 0.000 1.267 23 I HN 0.485 nan 8.210 nan 0.000 0.431 24 N N 4.384 122.989 118.700 -0.157 0.000 3.283 24 N HA 0.472 5.212 4.740 0.001 0.000 0.338 24 N C 0.446 175.912 175.510 -0.073 0.000 1.517 24 N CA -0.374 52.613 53.050 -0.105 0.000 0.733 24 N CB 0.587 39.011 38.487 -0.104 0.000 1.797 24 N HN 0.378 nan 8.380 nan 0.000 0.637 25 A N -0.533 122.255 122.820 -0.054 0.000 2.067 25 A HA 0.122 4.442 4.320 0.001 0.000 0.219 25 A C 1.859 179.428 177.584 -0.026 0.000 1.158 25 A CA 0.887 52.903 52.037 -0.035 0.000 0.661 25 A CB -0.930 18.051 19.000 -0.033 0.000 0.801 25 A HN 0.542 nan 8.150 nan 0.000 0.452 26 L N -0.963 120.241 121.223 -0.032 0.000 2.446 26 L HA -0.014 4.327 4.340 0.001 0.000 0.219 26 L C 2.520 179.419 176.870 0.048 0.000 1.116 26 L CA 0.544 55.380 54.840 -0.006 0.000 0.844 26 L CB -0.343 41.687 42.059 -0.047 0.000 0.970 26 L HN 0.234 nan 8.230 nan 0.000 0.457 27 S N 0.965 116.668 115.700 0.005 0.000 2.377 27 S HA -0.210 4.260 4.470 0.001 0.000 0.224 27 S C 1.663 176.319 174.600 0.094 0.000 1.042 27 S CA 1.910 60.116 58.200 0.009 0.000 1.086 27 S CB -0.429 62.695 63.200 -0.126 0.000 0.995 27 S HN 0.492 nan 8.310 nan 0.000 0.428 28 N N 1.492 120.264 118.700 0.120 0.000 2.443 28 N HA -0.058 4.683 4.740 0.001 0.000 0.184 28 N C 1.797 177.352 175.510 0.074 0.000 1.037 28 N CA 1.126 54.261 53.050 0.142 0.000 0.896 28 N CB -0.545 38.011 38.487 0.116 0.000 0.959 28 N HN 0.631 nan 8.380 nan 0.000 0.442 29 S N -0.441 115.301 115.700 0.070 0.000 2.453 29 S HA -0.015 4.455 4.470 0.001 0.000 0.231 29 S C 1.756 176.413 174.600 0.094 0.000 1.005 29 S CA 0.328 58.554 58.200 0.043 0.000 0.949 29 S CB -0.103 63.139 63.200 0.070 0.000 0.774 29 S HN 0.218 nan 8.310 nan 0.000 0.510 30 L N -0.164 121.127 121.223 0.114 0.000 2.347 30 L HA 0.605 4.946 4.340 0.001 0.000 0.196 30 L C 0.098 177.028 176.870 0.100 0.000 1.072 30 L CA 0.767 55.659 54.840 0.087 0.000 0.817 30 L CB 0.211 42.083 42.059 -0.311 0.000 1.029 30 L HN 0.485 nan 8.230 nan 0.000 0.478 31 L N -0.910 120.366 121.223 0.087 0.000 2.464 31 L HA 0.409 4.749 4.340 0.001 0.000 0.266 31 L C 0.379 177.327 176.870 0.130 0.000 0.965 31 L CA -0.368 54.524 54.840 0.086 0.000 0.833 31 L CB 1.714 43.835 42.059 0.103 0.000 1.296 31 L HN 0.026 nan 8.230 nan 0.000 0.405 32 R N 1.232 121.722 120.500 -0.018 0.000 2.195 32 R HA 0.189 4.530 4.340 0.001 0.000 0.197 32 R C 0.096 176.249 176.300 -0.245 0.000 0.990 32 R CA 0.129 56.141 56.100 -0.146 0.000 1.048 32 R CB 0.203 30.467 30.300 -0.060 0.000 0.997 32 R HN 0.636 nan 8.270 nan 0.000 0.502 33 H N 0.896 119.875 119.070 -0.152 0.000 2.970 33 H HA 0.067 4.623 4.556 0.001 0.000 0.226 33 H C 0.421 175.750 175.328 0.003 0.000 1.909 33 H CA -0.332 55.655 56.048 -0.102 0.000 1.388 33 H CB -0.099 29.653 29.762 -0.017 0.000 1.773 33 H HN 0.381 nan 8.280 nan 0.000 0.559 34 H N -0.169 118.992 119.070 0.152 0.000 2.426 34 H HA -0.146 4.410 4.556 0.001 0.000 0.298 34 H C 1.015 176.416 175.328 0.122 0.000 1.107 34 H CA 0.186 56.299 56.048 0.109 0.000 1.298 34 H CB 0.216 30.015 29.762 0.063 0.000 1.377 34 H HN 0.448 nan 8.280 nan 0.000 0.519 38 Y N 1.688 122.146 120.300 0.265 0.000 2.638 38 Y HA 0.982 5.532 4.550 0.000 0.000 0.335 38 Y C -0.531 175.455 175.900 0.144 0.000 1.155 38 Y CA -0.888 57.373 58.100 0.269 0.000 1.046 38 Y CB 1.650 40.224 38.460 0.190 0.000 1.303 38 Y HN 1.019 nan 8.280 nan 0.000 0.460 39 A N 1.432 124.331 122.820 0.132 0.000 2.365 39 A HA 0.703 5.023 4.320 0.001 0.000 0.318 39 A C -0.149 177.513 177.584 0.129 0.000 1.091 39 A CA -0.383 51.522 52.037 -0.219 0.000 0.763 39 A CB 0.650 19.249 19.000 -0.668 0.000 1.248 39 A HN 1.116 nan 8.150 nan 0.000 0.442 40 T N -0.421 114.205 114.554 0.119 0.000 2.860 40 T HA 0.585 4.936 4.350 0.001 0.000 0.299 40 T C 0.271 175.030 174.700 0.098 0.000 1.045 40 T CA 0.114 62.335 62.100 0.202 0.000 1.071 40 T CB 1.228 70.227 68.868 0.218 0.000 0.985 40 T HN 0.880 nan 8.240 nan 0.000 0.537 41 T N -0.750 113.861 114.554 0.095 0.000 2.787 41 T HA 0.441 4.791 4.350 0.001 0.000 0.297 41 T C 1.338 176.064 174.700 0.044 0.000 1.221 41 T CA -0.054 62.084 62.100 0.063 0.000 1.006 41 T CB 1.287 70.199 68.868 0.074 0.000 1.328 41 T HN 0.862 nan 8.240 nan 0.000 0.509 42 S N 1.019 116.738 115.700 0.031 0.000 2.500 42 S HA -0.059 4.411 4.470 0.001 0.000 0.239 42 S C 1.682 176.281 174.600 -0.001 0.000 0.989 42 S CA 0.666 58.874 58.200 0.012 0.000 0.951 42 S CB -0.387 62.819 63.200 0.011 0.000 0.759 42 S HN 0.661 nan 8.310 nan 0.000 0.523 43 R N 1.427 121.933 120.500 0.010 0.000 2.193 43 R HA -0.025 4.316 4.340 0.001 0.000 0.229 43 R C 2.004 178.296 176.300 -0.014 0.000 1.110 43 R CA 1.440 57.540 56.100 -0.000 0.000 0.988 43 R CB -0.403 29.904 30.300 0.013 0.000 0.871 43 R HN 0.739 nan 8.270 nan 0.000 0.458 44 S N -1.041 114.654 115.700 -0.009 0.000 2.539 44 S HA 0.243 4.714 4.470 0.001 0.000 0.221 44 S C 1.774 176.347 174.600 -0.046 0.000 0.987 44 S CA 0.145 58.331 58.200 -0.023 0.000 0.929 44 S CB 0.915 64.113 63.200 -0.003 0.000 0.832 44 S HN 0.244 nan 8.310 nan 0.000 0.492 45 A N 2.245 125.031 122.820 -0.057 0.000 1.948 45 A HA 0.081 4.402 4.320 0.001 0.000 0.220 45 A C 2.286 179.769 177.584 -0.168 0.000 1.177 45 A CA 1.777 53.755 52.037 -0.098 0.000 0.636 45 A CB -1.739 17.203 19.000 -0.098 0.000 0.815 45 A HN 0.672 nan 8.150 nan 0.000 0.449 46 G N -0.571 108.129 108.800 -0.167 0.000 2.442 46 G HA2 -0.212 3.748 3.960 0.001 0.000 0.219 46 G HA3 -0.212 3.748 3.960 0.001 0.000 0.219 46 G C 1.563 176.356 174.900 -0.179 0.000 1.141 46 G CA 0.984 45.957 45.100 -0.212 0.000 0.763 46 G HN 0.457 nan 8.290 nan 0.000 0.554 47 L N -0.319 120.836 121.223 -0.113 0.000 2.056 47 L HA 0.016 4.357 4.340 0.001 0.000 0.207 47 L C 2.978 179.807 176.870 -0.069 0.000 1.078 47 L CA 1.348 56.142 54.840 -0.076 0.000 0.749 47 L CB -0.163 41.866 42.059 -0.050 0.000 0.901 47 L HN 0.215 nan 8.230 nan 0.000 0.433 48 R N 0.100 120.554 120.500 -0.076 0.000 2.075 48 R HA -0.185 4.155 4.340 0.001 0.000 0.232 48 R C 2.188 178.439 176.300 -0.081 0.000 1.126 48 R CA 1.629 57.700 56.100 -0.049 0.000 0.963 48 R CB -0.421 29.856 30.300 -0.039 0.000 0.858 48 R HN 0.403 nan 8.270 nan 0.000 0.435 49 Q N -0.106 119.561 119.800 -0.222 0.000 2.077 49 Q HA -0.231 4.110 4.340 0.001 0.000 0.206 49 Q C 1.959 177.885 176.000 -0.124 0.000 0.989 49 Q CA 2.120 57.694 55.803 -0.381 0.000 0.853 49 Q CB -0.121 28.072 28.738 -0.908 0.000 0.907 49 Q HN 0.121 nan 8.270 nan 0.000 0.418 50 K N 0.882 121.221 120.400 -0.102 0.000 2.009 50 K HA -0.142 4.179 4.320 0.001 0.000 0.210 50 K C 1.860 178.527 176.600 0.113 0.000 1.049 50 K CA 1.473 57.769 56.287 0.015 0.000 0.929 50 K CB -0.017 32.478 32.500 -0.008 0.000 0.714 50 K HN 0.053 nan 8.250 nan 0.000 0.440 51 K N 0.018 120.476 120.400 0.097 0.000 2.103 51 K HA -0.110 4.210 4.320 0.001 0.000 0.207 51 K C 1.714 178.491 176.600 0.295 0.000 1.048 51 K CA 1.614 58.001 56.287 0.166 0.000 0.930 51 K CB -0.145 32.423 32.500 0.112 0.000 0.716 51 K HN 0.201 nan 8.250 nan 0.000 0.444 52 V N -1.489 118.569 119.914 0.240 0.000 3.623 52 V HA 0.059 4.180 4.120 0.001 0.000 0.271 52 V C 0.290 176.476 176.094 0.153 0.000 1.248 52 V CA 0.173 62.630 62.300 0.262 0.000 1.156 52 V CB -0.056 31.896 31.823 0.215 0.000 0.870 52 V HN -0.043 nan 8.190 nan 0.000 0.453 53 T N 4.254 118.959 114.554 0.251 0.000 2.753 53 T HA 0.728 5.079 4.350 0.001 0.000 0.297 53 T C -0.744 174.093 174.700 0.228 0.000 0.981 53 T CA -0.036 62.189 62.100 0.208 0.000 0.956 53 T CB 0.365 69.467 68.868 0.390 0.000 0.936 53 T HN 0.626 nan 8.240 nan 0.000 0.463 54 F N -0.023 120.046 119.950 0.198 0.000 2.817 54 F HA 0.674 5.203 4.527 0.002 0.000 0.317 54 F C -1.203 174.769 175.800 0.286 0.000 1.168 54 F CA -1.759 56.352 58.000 0.185 0.000 0.911 54 F CB 0.732 39.817 39.000 0.142 0.000 1.337 54 F HN 0.254 nan 8.300 nan 0.000 0.464 55 D N 0.408 121.182 120.400 0.625 0.000 2.210 55 D HA 0.559 5.200 4.640 0.001 0.000 0.249 55 D C -0.982 175.526 176.300 0.347 0.000 1.078 55 D CA -0.107 54.146 54.000 0.422 0.000 0.875 55 D CB 0.970 41.942 40.800 0.286 0.000 1.175 55 D HN 0.572 nan 8.370 nan 0.000 0.440 56 R N 2.366 122.994 120.500 0.213 0.000 2.514 56 R HA 0.666 5.007 4.340 0.001 0.000 0.301 56 R C -1.110 175.194 176.300 0.006 0.000 0.962 56 R CA -0.764 55.417 56.100 0.136 0.000 0.882 56 R CB 1.175 31.528 30.300 0.088 0.000 1.143 56 R HN 0.334 nan 8.270 nan 0.000 0.452 57 L N 1.553 122.768 121.223 -0.012 0.000 2.386 57 L HA 0.484 4.824 4.340 0.001 0.000 0.271 57 L C -0.911 175.912 176.870 -0.078 0.000 0.993 57 L CA -0.229 54.572 54.840 -0.065 0.000 0.819 57 L CB 2.096 44.143 42.059 -0.020 0.000 1.294 57 L HN 0.552 nan 8.230 nan 0.000 0.414 58 Q N 2.228 121.958 119.800 -0.117 0.000 2.304 58 Q HA 0.650 4.990 4.340 0.001 0.000 0.270 58 Q C -1.594 174.346 176.000 -0.100 0.000 1.035 58 Q CA -0.618 55.122 55.803 -0.104 0.000 0.781 58 Q CB 3.032 31.683 28.738 -0.146 0.000 1.261 58 Q HN 0.370 nan 8.270 nan 0.000 0.444 59 V N 4.999 124.872 119.914 -0.068 0.000 2.325 59 V HA 0.355 4.476 4.120 0.001 0.000 0.280 59 V C -0.581 175.499 176.094 -0.022 0.000 1.016 59 V CA -0.470 61.796 62.300 -0.058 0.000 0.818 59 V CB 1.040 32.829 31.823 -0.057 0.000 1.019 59 V HN 0.628 nan 8.190 nan 0.000 0.434 60 L N 5.699 126.862 121.223 -0.100 0.000 2.264 60 L HA 0.555 4.896 4.340 0.001 0.000 0.289 60 L C 0.145 177.014 176.870 -0.002 0.000 1.044 60 L CA -0.535 54.206 54.840 -0.165 0.000 0.807 60 L CB 1.211 42.974 42.059 -0.493 0.000 1.192 60 L HN 0.643 nan 8.230 nan 0.000 0.425 61 D N 0.831 121.316 120.400 0.141 0.000 2.564 61 D HA 0.103 4.744 4.640 0.001 0.000 0.273 61 D C 0.366 176.732 176.300 0.110 0.000 1.192 61 D CA -0.614 53.455 54.000 0.116 0.000 1.080 61 D CB 0.829 41.708 40.800 0.131 0.000 1.160 61 D HN 0.309 nan 8.370 nan 0.000 0.607 62 D N -1.182 119.219 120.400 0.003 0.000 2.144 62 D HA -0.159 4.482 4.640 0.001 0.000 0.199 62 D C 1.793 178.082 176.300 -0.019 0.000 0.984 62 D CA 1.112 55.085 54.000 -0.046 0.000 0.834 62 D CB -0.122 40.599 40.800 -0.132 0.000 0.955 62 D HN 0.424 nan 8.370 nan 0.000 0.465 63 H N -0.299 118.833 119.070 0.103 0.000 2.352 63 H HA -0.164 4.392 4.556 0.001 0.000 0.299 63 H C 2.040 177.402 175.328 0.057 0.000 1.097 63 H CA 0.986 57.086 56.048 0.085 0.000 1.311 63 H CB -0.655 29.183 29.762 0.125 0.000 1.377 63 H HN 0.332 nan 8.280 nan 0.000 0.504 64 Y N 1.893 122.230 120.300 0.062 0.000 2.145 64 Y HA -0.213 4.338 4.550 0.000 0.000 0.286 64 Y C 2.677 178.524 175.900 -0.088 0.000 1.145 64 Y CA 1.605 59.620 58.100 -0.141 0.000 1.148 64 Y CB -0.087 38.193 38.460 -0.301 0.000 0.981 64 Y HN -0.054 nan 8.280 nan 0.000 0.507 65 R N 0.026 120.585 120.500 0.099 0.000 2.115 65 R HA -0.133 4.208 4.340 0.001 0.000 0.230 65 R C 1.765 178.033 176.300 -0.053 0.000 1.111 65 R CA 1.332 57.435 56.100 0.006 0.000 0.976 65 R CB -0.272 30.071 30.300 0.072 0.000 0.870 65 R HN 0.414 nan 8.270 nan 0.000 0.445 66 D N 0.176 120.565 120.400 -0.017 0.000 2.097 66 D HA -0.125 4.515 4.640 0.001 0.000 0.195 66 D C 1.981 178.260 176.300 -0.035 0.000 0.989 66 D CA 1.097 55.092 54.000 -0.009 0.000 0.827 66 D CB -0.229 40.592 40.800 0.034 0.000 0.966 66 D HN -0.015 nan 8.370 nan 0.000 0.456 67 V N 1.219 121.094 119.914 -0.065 0.000 2.295 67 V HA -0.217 3.903 4.120 0.001 0.000 0.246 67 V C 2.509 178.535 176.094 -0.114 0.000 1.049 67 V CA 1.113 63.360 62.300 -0.089 0.000 1.024 67 V CB -0.490 31.245 31.823 -0.146 0.000 0.648 67 V HN 0.134 nan 8.190 nan 0.000 0.447 68 L N 0.474 121.567 121.223 -0.217 0.000 2.079 68 L HA -0.196 4.145 4.340 0.001 0.000 0.210 68 L C 2.395 179.201 176.870 -0.105 0.000 1.081 68 L CA 2.219 56.936 54.840 -0.206 0.000 0.752 68 L CB -0.791 41.077 42.059 -0.319 0.000 0.896 68 L HN 0.279 nan 8.230 nan 0.000 0.433 69 K N -0.375 119.978 120.400 -0.077 0.000 2.097 69 K HA -0.122 4.198 4.320 0.001 0.000 0.206 69 K C 0.797 177.381 176.600 -0.027 0.000 1.049 69 K CA 0.748 57.009 56.287 -0.043 0.000 0.933 69 K CB -0.063 32.420 32.500 -0.028 0.000 0.717 69 K HN 0.500 nan 8.250 nan 0.000 0.442 73 A N 2.391 125.200 122.820 -0.018 0.000 1.908 73 A HA -0.180 4.141 4.320 0.001 0.000 0.218 73 A C 1.889 179.463 177.584 -0.016 0.000 1.181 73 A CA 1.728 53.758 52.037 -0.013 0.000 0.627 73 A CB -0.325 18.670 19.000 -0.008 0.000 0.818 73 A HN 0.203 nan 8.150 nan 0.000 0.445 74 K N -0.439 119.949 120.400 -0.021 0.000 2.062 74 K HA 0.024 4.344 4.320 0.001 0.000 0.205 74 K C 2.316 178.894 176.600 -0.036 0.000 1.051 74 K CA 0.968 57.236 56.287 -0.031 0.000 0.941 74 K CB -0.336 32.138 32.500 -0.043 0.000 0.719 74 K HN 0.417 nan 8.250 nan 0.000 0.440 75 A N 1.421 124.219 122.820 -0.037 0.000 1.978 75 A HA -0.163 4.157 4.320 0.001 0.000 0.220 75 A C 2.103 179.679 177.584 -0.014 0.000 1.170 75 A CA 1.810 53.830 52.037 -0.029 0.000 0.636 75 A CB -0.542 18.446 19.000 -0.021 0.000 0.810 75 A HN 0.187 nan 8.150 nan 0.000 0.448 76 S N -0.337 115.356 115.700 -0.012 0.000 2.500 76 S HA -0.099 4.371 4.470 0.001 0.000 0.239 76 S C 1.853 176.450 174.600 -0.006 0.000 0.989 76 S CA 1.539 59.736 58.200 -0.005 0.000 0.951 76 S CB -0.525 62.673 63.200 -0.005 0.000 0.759 76 S HN 0.914 nan 8.310 nan 0.000 0.523 77 T N -1.017 113.529 114.554 -0.013 0.000 3.100 77 T HA 0.203 4.553 4.350 0.001 0.000 0.253 77 T C 0.508 175.200 174.700 -0.014 0.000 1.118 77 T CA -0.129 61.963 62.100 -0.013 0.000 1.058 77 T CB -0.259 68.599 68.868 -0.016 0.000 0.953 77 T HN 0.032 nan 8.240 nan 0.000 0.515 78 V N 1.835 121.740 119.914 -0.015 0.000 2.583 78 V HA 0.401 4.522 4.120 0.001 0.000 0.287 78 V C 0.097 176.188 176.094 -0.005 0.000 1.051 78 V CA -0.764 61.526 62.300 -0.016 0.000 1.010 78 V CB 1.254 33.063 31.823 -0.025 0.000 0.988 78 V HN 0.374 nan 8.190 nan 0.000 0.478 79 K N 3.356 123.753 120.400 -0.004 0.000 2.358 79 K HA 0.752 5.072 4.320 0.001 0.000 0.260 79 K C -0.687 175.916 176.600 0.005 0.000 0.956 79 K CA -0.379 55.911 56.287 0.004 0.000 0.834 79 K CB 1.495 33.999 32.500 0.006 0.000 1.102 79 K HN 0.851 nan 8.250 nan 0.000 0.431 80 A N 3.881 126.708 122.820 0.012 0.000 2.374 80 A HA 0.653 4.973 4.320 0.001 0.000 0.317 80 A C -1.128 176.473 177.584 0.028 0.000 1.094 80 A CA -0.861 51.184 52.037 0.014 0.000 0.765 80 A CB 1.199 20.203 19.000 0.007 0.000 1.268 80 A HN 0.573 nan 8.150 nan 0.000 0.438 81 K N 0.482 120.902 120.400 0.033 0.000 2.221 81 K HA 0.544 4.865 4.320 0.001 0.000 0.243 81 K C -1.215 175.414 176.600 0.048 0.000 0.968 81 K CA -0.857 55.453 56.287 0.038 0.000 0.846 81 K CB 1.918 34.437 32.500 0.031 0.000 1.141 81 K HN 0.513 nan 8.250 nan 0.000 0.434 82 L N 2.187 123.434 121.223 0.040 0.000 2.326 82 L HA 0.274 4.614 4.340 0.001 0.000 0.278 82 L C -0.677 176.181 176.870 -0.020 0.000 1.092 82 L CA -0.530 54.327 54.840 0.028 0.000 0.810 82 L CB 0.534 42.614 42.059 0.034 0.000 1.153 82 L HN 0.365 nan 8.230 nan 0.000 0.439 83 L N 3.227 124.418 121.223 -0.052 0.000 2.350 83 L HA 0.423 4.764 4.340 0.001 0.000 0.275 83 L C 0.504 177.271 176.870 -0.171 0.000 1.099 83 L CA 0.304 55.093 54.840 -0.085 0.000 0.808 83 L CB 1.392 43.403 42.059 -0.080 0.000 1.149 83 L HN 0.850 nan 8.230 nan 0.000 0.442 84 S N 1.996 117.608 115.700 -0.146 0.000 2.608 84 S HA 0.200 4.670 4.470 0.001 0.000 0.261 84 S C 1.296 175.764 174.600 -0.221 0.000 1.314 84 S CA -0.600 57.496 58.200 -0.173 0.000 0.992 84 S CB 0.804 63.937 63.200 -0.112 0.000 0.935 84 S HN 0.350 nan 8.310 nan 0.000 0.564 85 V N 2.181 121.945 119.914 -0.249 0.000 2.332 85 V HA -0.179 3.941 4.120 0.001 0.000 0.248 85 V C 2.887 178.855 176.094 -0.209 0.000 1.055 85 V CA 2.215 64.340 62.300 -0.291 0.000 1.038 85 V CB -1.246 30.338 31.823 -0.398 0.000 0.651 85 V HN 0.988 nan 8.190 nan 0.000 0.450 86 E N 0.600 120.706 120.200 -0.156 0.000 2.051 86 E HA -0.291 4.059 4.350 0.001 0.000 0.192 86 E C 1.943 178.467 176.600 -0.126 0.000 0.991 86 E CA 1.692 58.019 56.400 -0.123 0.000 0.799 86 E CB -0.510 29.137 29.700 -0.087 0.000 0.748 86 E HN 0.715 nan 8.360 nan 0.000 0.449 87 E N 1.256 121.378 120.200 -0.130 0.000 2.085 87 E HA -0.141 4.210 4.350 0.001 0.000 0.194 87 E C 2.160 178.646 176.600 -0.191 0.000 0.994 87 E CA 1.335 57.652 56.400 -0.139 0.000 0.801 87 E CB -0.189 29.439 29.700 -0.120 0.000 0.743 87 E HN 0.403 nan 8.360 nan 0.000 0.453 88 A N 0.678 123.377 122.820 -0.201 0.000 1.930 88 A HA -0.126 4.195 4.320 0.001 0.000 0.217 88 A C 1.635 179.102 177.584 -0.195 0.000 1.175 88 A CA 0.765 52.669 52.037 -0.222 0.000 0.627 88 A CB -0.260 18.625 19.000 -0.192 0.000 0.815 88 A HN 0.357 nan 8.150 nan 0.000 0.443 89 C N 0.602 119.806 119.300 -0.160 0.000 2.700 89 C HA 0.497 4.958 4.460 0.001 0.000 0.529 89 C C 1.105 176.014 174.990 -0.135 0.000 1.093 89 C CA -0.421 58.517 59.018 -0.135 0.000 1.320 89 C CB -1.181 26.490 27.740 -0.115 0.000 1.478 89 C HN 0.362 nan 8.230 nan 0.000 0.598 90 K N 0.039 120.348 120.400 -0.152 0.000 2.590 90 K HA 0.252 4.572 4.320 0.001 0.000 0.218 90 K C 1.017 177.537 176.600 -0.133 0.000 1.536 90 K CA 0.115 56.334 56.287 -0.113 0.000 1.013 90 K CB 0.114 32.557 32.500 -0.094 0.000 1.265 90 K HN 0.475 nan 8.250 nan 0.000 0.603 91 L N 1.494 122.580 121.223 -0.227 0.000 2.591 91 L HA 0.109 4.450 4.340 0.001 0.000 0.228 91 L C 0.252 176.980 176.870 -0.236 0.000 1.133 91 L CA 0.417 55.060 54.840 -0.327 0.000 0.880 91 L CB 0.011 41.753 42.059 -0.528 0.000 1.033 91 L HN -0.126 nan 8.230 nan 0.000 0.450 92 T N 1.730 116.177 114.554 -0.179 0.000 2.814 92 T HA 0.185 4.536 4.350 0.001 0.000 0.297 92 T C -2.311 172.243 174.700 -0.243 0.000 0.956 92 T CA -1.057 60.941 62.100 -0.170 0.000 1.123 92 T CB 0.824 69.612 68.868 -0.134 0.000 0.902 92 T HN -0.141 nan 8.240 nan 0.000 0.528 93 P HA 0.146 nan 4.420 nan 0.000 0.268 93 P C -1.888 175.116 177.300 -0.493 0.000 1.204 93 P CA -1.379 61.452 63.100 -0.448 0.000 0.768 93 P CB 0.207 31.775 31.700 -0.220 0.000 0.842 94 P HA -0.168 nan 4.420 nan 0.000 0.217 94 P C 0.235 177.188 177.300 -0.579 0.000 1.148 94 P CA 1.675 64.399 63.100 -0.626 0.000 0.828 94 P CB -0.160 31.101 31.700 -0.732 0.000 0.783 95 H N -2.315 116.627 119.070 -0.214 0.000 2.472 95 H HA 0.302 4.858 4.556 0.001 0.000 0.287 95 H C 0.449 175.696 175.328 -0.134 0.000 1.112 95 H CA -0.415 55.549 56.048 -0.141 0.000 1.021 95 H CB 0.045 29.740 29.762 -0.113 0.000 1.635 95 H HN -0.020 nan 8.280 nan 0.000 0.559 96 S N 1.046 116.695 115.700 -0.085 0.000 2.584 96 S HA 0.402 4.872 4.470 0.001 0.000 0.270 96 S C 0.695 175.253 174.600 -0.071 0.000 1.346 96 S CA -0.563 57.578 58.200 -0.098 0.000 1.018 96 S CB 0.308 63.441 63.200 -0.111 0.000 0.899 96 S HN 0.529 nan 8.310 nan 0.000 0.542 97 A N 3.925 126.685 122.820 -0.101 0.000 2.546 97 A HA 0.238 4.558 4.320 0.001 0.000 0.243 97 A C 0.529 178.105 177.584 -0.013 0.000 1.063 97 A CA -0.115 51.895 52.037 -0.045 0.000 0.757 97 A CB -0.307 18.670 19.000 -0.038 0.000 0.991 97 A HN 0.845 nan 8.150 nan 0.000 0.503 98 K N 2.230 122.616 120.400 -0.024 0.000 2.336 98 K HA 0.311 4.632 4.320 0.001 0.000 0.262 98 K C 0.376 176.899 176.600 -0.128 0.000 0.992 98 K CA 0.122 56.362 56.287 -0.078 0.000 0.927 98 K CB 0.378 32.832 32.500 -0.078 0.000 0.956 98 K HN 0.460 nan 8.250 nan 0.000 0.495 99 S N 0.235 115.749 115.700 -0.310 0.000 2.592 99 S HA 0.080 4.551 4.470 0.001 0.000 0.271 99 S C 0.506 174.887 174.600 -0.365 0.000 1.326 99 S CA -0.620 57.352 58.200 -0.379 0.000 1.024 99 S CB 0.701 63.337 63.200 -0.941 0.000 0.921 99 S HN 0.682 nan 8.310 nan 0.000 0.527 100 K N 2.033 122.181 120.400 -0.420 0.000 2.486 100 K HA 0.064 4.384 4.320 0.001 0.000 0.194 100 K C -0.216 175.898 176.600 -0.809 0.000 1.033 100 K CA 0.739 56.657 56.287 -0.615 0.000 1.004 100 K CB -0.089 31.939 32.500 -0.786 0.000 0.798 100 K HN 0.616 nan 8.250 nan 0.000 0.495 101 F N 0.444 120.211 119.950 -0.305 0.000 2.819 101 F HA 0.264 4.791 4.527 0.001 0.000 0.294 101 F C 1.050 176.736 175.800 -0.191 0.000 1.166 101 F CA -0.465 57.361 58.000 -0.290 0.000 1.374 101 F CB 0.582 39.268 39.000 -0.523 0.000 0.956 101 F HN 0.050 nan 8.300 nan 0.000 0.509 102 G N 0.580 109.319 108.800 -0.101 0.000 2.149 102 G HA2 -0.281 3.680 3.960 0.001 0.000 0.235 102 G HA3 -0.281 3.680 3.960 0.001 0.000 0.235 102 G C -0.391 174.586 174.900 0.128 0.000 1.018 102 G CA 0.197 45.306 45.100 0.015 0.000 0.728 102 G HN 0.607 nan 8.290 nan 0.000 0.508 103 Y N -3.070 117.224 120.300 -0.010 0.000 2.656 103 Y HA 0.759 5.309 4.550 0.001 0.000 0.334 103 Y C 0.303 176.203 175.900 0.001 0.000 1.179 103 Y CA -1.031 57.068 58.100 -0.002 0.000 1.050 103 Y CB 0.521 38.986 38.460 0.008 0.000 1.308 103 Y HN 0.773 nan 8.280 nan 0.000 0.456 104 G N -0.290 108.605 108.800 0.158 0.000 3.015 104 G HA2 0.547 4.508 3.960 0.001 0.000 0.281 104 G HA3 0.547 4.508 3.960 0.001 0.000 0.281 104 G C 0.172 175.133 174.900 0.101 0.000 1.386 104 G CA -0.763 44.368 45.100 0.052 0.000 0.959 104 G HN 1.238 nan 8.290 nan 0.000 0.522 105 A N -0.367 122.461 122.820 0.013 0.000 1.978 105 A HA -0.025 4.295 4.320 0.001 0.000 0.220 105 A C 2.267 179.813 177.584 -0.063 0.000 1.170 105 A CA 1.834 53.850 52.037 -0.035 0.000 0.636 105 A CB -0.343 18.592 19.000 -0.109 0.000 0.810 105 A HN 0.437 nan 8.150 nan 0.000 0.448 106 K N 0.129 120.491 120.400 -0.063 0.000 2.057 106 K HA -0.132 4.189 4.320 0.001 0.000 0.207 106 K C 1.450 178.029 176.600 -0.034 0.000 1.049 106 K CA 1.462 57.705 56.287 -0.074 0.000 0.931 106 K CB -0.516 31.949 32.500 -0.059 0.000 0.714 106 K HN 0.549 nan 8.250 nan 0.000 0.440 107 D N 0.783 121.194 120.400 0.018 0.000 2.144 107 D HA -0.114 4.526 4.640 0.001 0.000 0.199 107 D C 2.094 178.385 176.300 -0.014 0.000 0.984 107 D CA 0.810 54.823 54.000 0.022 0.000 0.834 107 D CB -0.064 40.790 40.800 0.091 0.000 0.955 107 D HN -0.089 nan 8.370 nan 0.000 0.465 108 V N 1.512 121.436 119.914 0.017 0.000 2.261 108 V HA -0.240 3.880 4.120 0.001 0.000 0.246 108 V C 2.534 178.588 176.094 -0.066 0.000 1.047 108 V CA 1.604 63.889 62.300 -0.024 0.000 1.015 108 V CB -0.377 31.463 31.823 0.029 0.000 0.642 108 V HN 0.124 nan 8.190 nan 0.000 0.446 109 R N 0.238 120.693 120.500 -0.076 0.000 2.120 109 R HA -0.119 4.221 4.340 0.001 0.000 0.234 109 R C 1.856 178.112 176.300 -0.074 0.000 1.123 109 R CA 1.365 57.410 56.100 -0.092 0.000 0.975 109 R CB -0.385 29.840 30.300 -0.125 0.000 0.866 109 R HN 0.510 nan 8.270 nan 0.000 0.446 110 N N 0.861 119.522 118.700 -0.064 0.000 2.461 110 N HA 0.035 4.776 4.740 0.001 0.000 0.188 110 N C 0.235 175.712 175.510 -0.054 0.000 1.134 110 N CA 0.348 53.366 53.050 -0.053 0.000 0.878 110 N CB 0.247 38.708 38.487 -0.043 0.000 0.972 110 N HN 0.159 nan 8.380 nan 0.000 0.456 111 L N 0.799 121.981 121.223 -0.068 0.000 3.717 111 L HA -0.218 4.122 4.340 0.001 0.000 0.414 111 L C 0.134 176.962 176.870 -0.071 0.000 1.228 111 L CA -0.067 54.727 54.840 -0.077 0.000 0.918 111 L CB -2.724 39.296 42.059 -0.066 0.000 1.865 111 L HN 0.119 nan 8.230 nan 0.000 0.922 112 S N -1.081 114.574 115.700 -0.074 0.000 2.560 112 S HA 0.278 4.749 4.470 0.001 0.000 0.284 112 S C 1.515 176.067 174.600 -0.080 0.000 1.327 112 S CA -0.118 58.044 58.200 -0.063 0.000 1.055 112 S CB 1.726 64.895 63.200 -0.052 0.000 0.868 112 S HN 0.485 nan 8.310 nan 0.000 0.506 113 S N 2.692 118.361 115.700 -0.051 0.000 2.387 113 S HA -0.258 4.213 4.470 0.001 0.000 0.230 113 S C 1.666 176.230 174.600 -0.060 0.000 1.035 113 S CA 1.327 59.502 58.200 -0.041 0.000 1.014 113 S CB -0.619 62.570 63.200 -0.019 0.000 0.836 113 S HN 0.867 nan 8.310 nan 0.000 0.466 114 K N 1.751 122.108 120.400 -0.072 0.000 2.025 114 K HA 0.024 4.344 4.320 0.001 0.000 0.207 114 K C 2.368 178.813 176.600 -0.258 0.000 1.049 114 K CA 1.132 57.368 56.287 -0.084 0.000 0.933 114 K CB -0.615 31.871 32.500 -0.024 0.000 0.714 114 K HN 0.423 nan 8.250 nan 0.000 0.438 115 A N 0.528 123.082 122.820 -0.443 0.000 1.898 115 A HA -0.084 4.237 4.320 0.001 0.000 0.216 115 A C 2.226 179.521 177.584 -0.481 0.000 1.181 115 A CA 1.523 53.010 52.037 -0.918 0.000 0.620 115 A CB -0.593 17.999 19.000 -0.681 0.000 0.819 115 A HN 0.174 nan 8.150 nan 0.000 0.442 116 V N 1.070 120.825 119.914 -0.265 0.000 2.358 116 V HA -0.240 3.880 4.120 0.001 0.000 0.246 116 V C 2.256 178.299 176.094 -0.084 0.000 1.047 116 V CA 2.075 64.261 62.300 -0.191 0.000 1.035 116 V CB -0.993 30.765 31.823 -0.108 0.000 0.658 116 V HN 0.539 nan 8.190 nan 0.000 0.452 117 N N -0.546 118.146 118.700 -0.014 0.000 2.120 117 N HA -0.178 4.562 4.740 0.001 0.000 0.188 117 N C 1.871 177.411 175.510 0.050 0.000 1.024 117 N CA 1.546 54.637 53.050 0.069 0.000 0.852 117 N CB -0.580 37.932 38.487 0.042 0.000 1.003 117 N HN 0.631 nan 8.380 nan 0.000 0.424 118 H N 0.689 119.703 119.070 -0.093 0.000 2.357 118 H HA 0.047 4.603 4.556 0.001 0.000 0.301 118 H C 2.081 177.385 175.328 -0.041 0.000 1.082 118 H CA 1.013 57.028 56.048 -0.056 0.000 1.342 118 H CB -0.001 29.758 29.762 -0.004 0.000 1.389 118 H HN 0.113 nan 8.280 nan 0.000 0.511 119 I N 0.260 120.731 120.570 -0.165 0.000 2.208 119 I HA -0.310 3.860 4.170 0.001 0.000 0.245 119 I C 2.278 178.305 176.117 -0.149 0.000 1.097 119 I CA 1.548 62.737 61.300 -0.186 0.000 1.363 119 I CB -0.362 37.510 38.000 -0.213 0.000 1.051 119 I HN 0.348 nan 8.210 nan 0.000 0.413 120 H N -0.369 118.659 119.070 -0.072 0.000 2.421 120 H HA -0.140 4.416 4.556 0.001 0.000 0.298 120 H C 2.475 177.812 175.328 0.015 0.000 1.087 120 H CA 1.581 57.624 56.048 -0.007 0.000 1.330 120 H CB 0.051 29.797 29.762 -0.027 0.000 1.388 120 H HN 0.385 nan 8.280 nan 0.000 0.526 121 S N -0.234 115.484 115.700 0.030 0.000 2.436 121 S HA -0.081 4.389 4.470 0.001 0.000 0.228 121 S C 2.171 176.706 174.600 -0.108 0.000 1.014 121 S CA 0.871 59.044 58.200 -0.045 0.000 0.950 121 S CB -0.452 62.693 63.200 -0.092 0.000 0.784 121 S HN 0.146 nan 8.310 nan 0.000 0.504 122 V N 0.762 120.563 119.914 -0.189 0.000 2.453 122 V HA -0.075 4.046 4.120 0.001 0.000 0.247 122 V C 2.206 178.301 176.094 0.001 0.000 1.048 122 V CA 1.562 63.767 62.300 -0.159 0.000 1.049 122 V CB -0.998 30.705 31.823 -0.199 0.000 0.672 122 V HN 0.704 nan 8.190 nan 0.000 0.457 123 W N 1.527 122.763 121.300 -0.106 0.000 2.354 123 W HA -0.224 4.437 4.660 0.001 0.000 0.315 123 W C 2.513 179.009 176.519 -0.038 0.000 1.206 123 W CA 2.240 59.552 57.345 -0.055 0.000 1.290 123 W CB -0.122 29.323 29.460 -0.026 0.000 1.152 123 W HN 0.222 nan 8.180 nan 0.000 0.489 124 K N 0.624 121.075 120.400 0.085 0.000 2.103 124 K HA -0.282 4.038 4.320 0.001 0.000 0.207 124 K C 1.708 178.241 176.600 -0.111 0.000 1.048 124 K CA 2.324 58.596 56.287 -0.024 0.000 0.930 124 K CB -0.592 31.934 32.500 0.043 0.000 0.716 124 K HN 0.064 nan 8.250 nan 0.000 0.444 125 D N 0.117 120.458 120.400 -0.098 0.000 2.144 125 D HA -0.123 4.518 4.640 0.001 0.000 0.200 125 D C 1.972 178.181 176.300 -0.151 0.000 0.978 125 D CA 0.836 54.772 54.000 -0.107 0.000 0.833 125 D CB 0.092 40.837 40.800 -0.093 0.000 0.961 125 D HN 0.207 nan 8.370 nan 0.000 0.470 126 L N 0.008 121.103 121.223 -0.213 0.000 2.083 126 L HA -0.134 4.206 4.340 0.001 0.000 0.209 126 L C 2.348 179.038 176.870 -0.300 0.000 1.083 126 L CA 0.651 55.331 54.840 -0.265 0.000 0.752 126 L CB -0.284 41.560 42.059 -0.359 0.000 0.899 126 L HN 0.244 nan 8.230 nan 0.000 0.433 127 L N -0.874 120.131 121.223 -0.364 0.000 2.156 127 L HA -0.144 4.196 4.340 0.001 0.000 0.208 127 L C 2.140 178.908 176.870 -0.171 0.000 1.095 127 L CA 1.116 55.777 54.840 -0.298 0.000 0.770 127 L CB -0.346 41.523 42.059 -0.317 0.000 0.914 127 L HN 0.293 nan 8.230 nan 0.000 0.439 128 E N -1.081 119.035 120.200 -0.140 0.000 2.447 128 E HA -0.031 4.320 4.350 0.001 0.000 0.195 128 E C 0.082 176.636 176.600 -0.077 0.000 1.028 128 E CA 0.089 56.434 56.400 -0.090 0.000 0.876 128 E CB 0.396 30.054 29.700 -0.070 0.000 0.885 128 E HN 0.191 nan 8.360 nan 0.000 0.500 129 D N 0.304 120.650 120.400 -0.090 0.000 2.788 129 D HA 0.055 4.695 4.640 0.001 0.000 0.247 129 D C -0.161 176.091 176.300 -0.079 0.000 1.236 129 D CA -0.319 53.639 54.000 -0.070 0.000 0.898 129 D CB 1.590 42.353 40.800 -0.061 0.000 1.401 129 D HN -0.049 nan 8.370 nan 0.000 0.549 130 T N 0.290 114.806 114.554 -0.064 0.000 3.182 130 T HA 0.253 4.604 4.350 0.001 0.000 0.277 130 T C 0.952 175.626 174.700 -0.043 0.000 1.013 130 T CA -0.106 61.956 62.100 -0.062 0.000 0.900 130 T CB 0.185 69.019 68.868 -0.056 0.000 1.098 130 T HN 0.132 nan 8.240 nan 0.000 0.543 131 V N 0.118 120.010 119.914 -0.036 0.000 3.250 131 V HA 0.192 4.313 4.120 0.001 0.000 0.240 131 V C 0.997 177.084 176.094 -0.012 0.000 1.275 131 V CA 0.216 62.503 62.300 -0.021 0.000 1.206 131 V CB 0.000 31.813 31.823 -0.017 0.000 0.976 131 V HN 0.457 nan 8.190 nan 0.000 0.467 132 T N 4.018 118.564 114.554 -0.014 0.000 2.761 132 T HA 0.191 4.541 4.350 0.001 0.000 0.287 132 T C -2.400 172.303 174.700 0.005 0.000 0.931 132 T CA -0.501 61.599 62.100 -0.001 0.000 1.164 132 T CB 0.527 69.393 68.868 -0.003 0.000 0.876 132 T HN 0.176 nan 8.240 nan 0.000 0.534 133 P HA 0.113 nan 4.420 nan 0.000 0.264 133 P C -0.187 177.123 177.300 0.016 0.000 1.183 133 P CA 0.010 63.132 63.100 0.037 0.000 0.763 133 P CB 0.352 32.118 31.700 0.110 0.000 0.807 134 I N 2.519 123.082 120.570 -0.011 0.000 2.396 134 I HA 0.146 4.317 4.170 0.001 0.000 0.292 134 I C 0.898 177.010 176.117 -0.007 0.000 0.999 134 I CA -0.450 60.847 61.300 -0.006 0.000 1.310 134 I CB 0.857 38.842 38.000 -0.024 0.000 1.404 134 I HN 0.321 nan 8.210 nan 0.000 0.496 135 D N 4.332 124.742 120.400 0.017 0.000 2.399 135 D HA 0.219 4.860 4.640 0.001 0.000 0.241 135 D C -0.394 175.883 176.300 -0.037 0.000 1.133 135 D CA 0.242 54.240 54.000 -0.004 0.000 0.890 135 D CB 0.836 41.650 40.800 0.022 0.000 1.201 135 D HN 0.608 nan 8.370 nan 0.000 0.432 136 T N -0.814 113.688 114.554 -0.086 0.000 2.903 136 T HA 0.591 4.941 4.350 0.001 0.000 0.299 136 T C -0.450 174.105 174.700 -0.242 0.000 1.093 136 T CA -0.961 61.047 62.100 -0.154 0.000 1.002 136 T CB 1.494 70.297 68.868 -0.108 0.000 1.127 136 T HN 0.213 nan 8.240 nan 0.000 0.488 137 T N 2.587 116.838 114.554 -0.505 0.000 2.829 137 T HA 0.639 4.989 4.350 0.001 0.000 0.282 137 T C -0.101 174.343 174.700 -0.427 0.000 0.990 137 T CA -0.619 61.161 62.100 -0.533 0.000 1.028 137 T CB 0.995 69.370 68.868 -0.822 0.000 0.951 137 T HN 0.736 nan 8.240 nan 0.000 0.460 141 K N 1.109 121.545 120.400 0.060 0.000 2.218 141 K HA 0.318 4.638 4.320 0.001 0.000 0.276 141 K C -0.437 176.177 176.600 0.023 0.000 1.022 141 K CA -0.213 56.099 56.287 0.042 0.000 0.946 141 K CB 0.802 33.335 32.500 0.054 0.000 1.000 141 K HN 0.674 nan 8.250 nan 0.000 0.468 142 N N 2.604 121.290 118.700 -0.024 0.000 2.558 142 N HA 0.086 4.827 4.740 0.001 0.000 0.233 142 N C -1.230 174.178 175.510 -0.171 0.000 1.038 142 N CA -0.273 52.730 53.050 -0.079 0.000 0.934 142 N CB 0.840 39.270 38.487 -0.095 0.000 1.175 142 N HN 0.381 nan 8.380 nan 0.000 0.512 143 E N 0.960 121.065 120.200 -0.159 0.000 2.238 143 E HA 0.409 4.760 4.350 0.001 0.000 0.267 143 E C -0.810 175.454 176.600 -0.561 0.000 0.887 143 E CA -0.966 55.234 56.400 -0.332 0.000 0.769 143 E CB 2.501 32.086 29.700 -0.192 0.000 1.187 143 E HN 0.093 nan 8.360 nan 0.000 0.416 144 V N 3.413 122.830 119.914 -0.827 0.000 2.439 144 V HA 0.452 4.572 4.120 0.001 0.000 0.282 144 V C -0.656 174.803 176.094 -1.058 0.000 1.039 144 V CA -0.179 61.634 62.300 -0.813 0.000 0.913 144 V CB 0.033 31.492 31.823 -0.606 0.000 0.983 144 V HN 0.524 nan 8.190 nan 0.000 0.460 145 F N 2.185 121.776 119.950 -0.598 0.000 2.726 145 F HA 0.644 5.172 4.527 0.001 0.000 0.324 145 F C 0.036 175.649 175.800 -0.312 0.000 1.140 145 F CA -0.742 56.993 58.000 -0.442 0.000 0.964 145 F CB 1.372 40.110 39.000 -0.437 0.000 1.399 145 F HN 0.542 nan 8.300 nan 0.000 0.491 146 C N 2.656 122.055 119.300 0.165 0.000 2.376 146 C HA 0.819 5.280 4.460 0.001 0.000 0.335 146 C C 0.164 175.359 174.990 0.342 0.000 1.229 146 C CA -0.644 58.503 59.018 0.216 0.000 1.867 146 C CB 0.045 27.865 27.740 0.133 0.000 2.319 146 C HN 0.755 nan 8.230 nan 0.000 0.515 147 V N 4.449 124.587 119.914 0.372 0.000 3.432 147 V HA 0.422 4.542 4.120 0.001 0.000 0.304 147 V C 0.078 176.262 176.094 0.150 0.000 1.107 147 V CA 0.362 62.826 62.300 0.274 0.000 1.153 147 V CB -0.014 31.899 31.823 0.150 0.000 1.072 147 V HN 1.386 nan 8.190 nan 0.000 0.485 155 K N 2.224 122.609 120.400 -0.025 0.000 2.218 155 K HA 0.453 4.774 4.320 0.001 0.000 0.276 155 K C -2.144 174.456 176.600 -0.001 0.000 1.022 155 K CA -1.419 54.832 56.287 -0.060 0.000 0.946 155 K CB 0.992 33.374 32.500 -0.196 0.000 1.000 155 K HN 0.170 nan 8.250 nan 0.000 0.468 156 P HA 0.016 nan 4.420 nan 0.000 0.274 156 P C -0.612 176.711 177.300 0.039 0.000 1.256 156 P CA -0.469 62.638 63.100 0.012 0.000 0.795 156 P CB 0.584 32.277 31.700 -0.012 0.000 1.038 157 A N 1.900 124.752 122.820 0.054 0.000 2.445 157 A HA 0.177 4.497 4.320 0.001 0.000 0.242 157 A C 0.655 178.275 177.584 0.059 0.000 1.075 157 A CA -0.172 51.910 52.037 0.075 0.000 0.777 157 A CB -0.202 18.834 19.000 0.061 0.000 1.013 157 A HN 0.445 nan 8.150 nan 0.000 0.493 158 R N 0.273 120.825 120.500 0.088 0.000 2.528 158 R HA 0.469 4.809 4.340 0.001 0.000 0.271 158 R C -0.996 175.354 176.300 0.084 0.000 1.056 158 R CA -0.714 55.440 56.100 0.090 0.000 1.117 158 R CB 0.487 30.859 30.300 0.120 0.000 1.085 158 R HN 0.484 nan 8.270 nan 0.000 0.530 159 L N 1.930 123.207 121.223 0.090 0.000 2.334 159 L HA 0.517 4.858 4.340 0.001 0.000 0.272 159 L C -0.349 176.604 176.870 0.138 0.000 1.020 159 L CA -0.751 54.147 54.840 0.096 0.000 0.812 159 L CB 1.167 43.268 42.059 0.069 0.000 1.264 159 L HN 0.493 nan 8.230 nan 0.000 0.439 160 I N 1.347 122.017 120.570 0.167 0.000 2.498 160 I HA 0.609 4.779 4.170 0.001 0.000 0.290 160 I C -1.124 175.170 176.117 0.296 0.000 1.032 160 I CA -0.350 61.084 61.300 0.224 0.000 1.073 160 I CB 1.892 40.017 38.000 0.208 0.000 1.251 160 I HN 0.191 nan 8.210 nan 0.000 0.426 161 V N 8.676 128.763 119.914 0.289 0.000 2.448 161 V HA 0.616 4.737 4.120 0.001 0.000 0.295 161 V C -0.800 175.477 176.094 0.304 0.000 1.025 161 V CA -0.492 61.939 62.300 0.218 0.000 0.859 161 V CB 1.136 33.063 31.823 0.172 0.000 0.988 161 V HN 0.594 nan 8.190 nan 0.000 0.431 162 F N 4.945 124.941 119.950 0.078 0.000 2.608 162 F HA 0.905 5.432 4.527 0.001 0.000 0.309 162 F C -3.053 172.788 175.800 0.069 0.000 1.103 162 F CA -2.666 55.381 58.000 0.077 0.000 0.954 162 F CB 1.675 40.715 39.000 0.066 0.000 1.267 162 F HN 0.306 nan 8.300 nan 0.000 0.444 163 P HA 0.153 nan 4.420 nan 0.000 0.277 163 P C -0.942 176.482 177.300 0.207 0.000 1.271 163 P CA -0.093 63.080 63.100 0.121 0.000 0.795 163 P CB 1.195 32.974 31.700 0.131 0.000 1.101 164 D N -0.803 119.701 120.400 0.174 0.000 2.361 164 D HA -0.041 4.599 4.640 0.001 0.000 0.239 164 D C 1.367 177.806 176.300 0.231 0.000 1.200 164 D CA -0.344 53.787 54.000 0.219 0.000 0.915 164 D CB 0.269 41.250 40.800 0.302 0.000 1.170 164 D HN 0.089 nan 8.370 nan 0.000 0.444 165 L N 2.888 124.228 121.223 0.196 0.000 2.013 165 L HA -0.024 4.316 4.340 0.001 0.000 0.212 165 L C 2.081 179.093 176.870 0.238 0.000 1.073 165 L CA 2.643 57.587 54.840 0.172 0.000 0.753 165 L CB -1.205 40.907 42.059 0.088 0.000 0.890 165 L HN 0.671 nan 8.230 nan 0.000 0.432 166 G N -1.361 107.648 108.800 0.348 0.000 2.442 166 G HA2 -0.204 3.756 3.960 0.001 0.000 0.219 166 G HA3 -0.204 3.756 3.960 0.001 0.000 0.219 166 G C 1.547 176.554 174.900 0.177 0.000 1.141 166 G CA 1.069 46.376 45.100 0.344 0.000 0.763 166 G HN 0.370 nan 8.290 nan 0.000 0.554 167 V N 0.618 120.635 119.914 0.173 0.000 2.358 167 V HA -0.140 3.980 4.120 0.001 0.000 0.246 167 V C 2.919 179.094 176.094 0.135 0.000 1.047 167 V CA 1.818 64.194 62.300 0.127 0.000 1.035 167 V CB -0.428 31.465 31.823 0.116 0.000 0.658 167 V HN 0.331 nan 8.190 nan 0.000 0.452 168 R N -0.287 120.300 120.500 0.146 0.000 2.096 168 R HA -0.123 4.217 4.340 0.001 0.000 0.235 168 R C 2.189 178.543 176.300 0.090 0.000 1.127 168 R CA 1.463 57.640 56.100 0.127 0.000 0.968 168 R CB -0.570 29.800 30.300 0.116 0.000 0.861 168 R HN 0.427 nan 8.270 nan 0.000 0.440 169 V N 0.196 120.155 119.914 0.075 0.000 2.515 169 V HA -0.255 3.865 4.120 0.001 0.000 0.250 169 V C 2.423 178.534 176.094 0.029 0.000 1.058 169 V CA 1.355 63.665 62.300 0.017 0.000 1.064 169 V CB -0.413 31.408 31.823 -0.003 0.000 0.675 169 V HN 0.441 nan 8.190 nan 0.000 0.461 170 C N -0.077 119.285 119.300 0.103 0.000 2.440 170 C HA -0.122 4.339 4.460 0.001 0.000 0.278 170 C C 2.679 177.823 174.990 0.256 0.000 1.295 170 C CA 0.818 59.971 59.018 0.224 0.000 1.738 170 C CB -0.888 27.035 27.740 0.305 0.000 1.987 170 C HN 0.613 nan 8.230 nan 0.000 0.492 171 E N 0.661 120.975 120.200 0.190 0.000 2.077 171 E HA -0.128 4.222 4.350 0.001 0.000 0.193 171 E C 0.986 177.693 176.600 0.179 0.000 0.989 171 E CA 0.808 57.334 56.400 0.209 0.000 0.800 171 E CB 0.012 29.847 29.700 0.224 0.000 0.746 171 E HN 0.660 nan 8.360 nan 0.000 0.452 175 L N -1.066 120.237 121.223 0.133 0.000 3.086 175 L HA 0.291 4.632 4.340 0.001 0.000 0.274 175 L C 1.635 178.539 176.870 0.058 0.000 1.184 175 L CA 0.247 55.111 54.840 0.040 0.000 1.002 175 L CB 0.186 42.236 42.059 -0.016 0.000 1.383 175 L HN 0.469 nan 8.230 nan 0.000 0.582 176 Y N 1.577 121.883 120.300 0.010 0.000 2.097 176 Y HA -0.345 4.206 4.550 0.001 0.000 0.282 176 Y C 2.278 178.201 175.900 0.037 0.000 1.152 176 Y CA 2.304 60.420 58.100 0.028 0.000 1.136 176 Y CB 0.044 38.505 38.460 0.002 0.000 0.975 176 Y HN 0.231 nan 8.280 nan 0.000 0.498 177 D N -0.759 119.673 120.400 0.053 0.000 2.144 177 D HA -0.166 4.475 4.640 0.001 0.000 0.199 177 D C 2.239 178.480 176.300 -0.099 0.000 0.984 177 D CA 1.411 55.390 54.000 -0.036 0.000 0.834 177 D CB -0.235 40.593 40.800 0.046 0.000 0.955 177 D HN 0.268 nan 8.370 nan 0.000 0.465 178 V N 0.378 120.239 119.914 -0.089 0.000 2.295 178 V HA -0.210 3.911 4.120 0.001 0.000 0.246 178 V C 2.650 178.633 176.094 -0.185 0.000 1.049 178 V CA 1.777 64.000 62.300 -0.129 0.000 1.024 178 V CB -0.526 31.195 31.823 -0.169 0.000 0.648 178 V HN 0.331 nan 8.190 nan 0.000 0.447 179 V N -2.683 117.103 119.914 -0.212 0.000 2.970 179 V HA -0.053 4.068 4.120 0.001 0.000 0.260 179 V C 1.996 177.948 176.094 -0.236 0.000 1.100 179 V CA 1.911 64.081 62.300 -0.217 0.000 1.122 179 V CB -0.265 31.455 31.823 -0.172 0.000 0.721 179 V HN 0.452 nan 8.190 nan 0.000 0.483 180 S N 0.506 116.059 115.700 -0.246 0.000 2.439 180 S HA -0.008 4.463 4.470 0.001 0.000 0.224 180 S C 1.886 176.392 174.600 -0.156 0.000 1.029 180 S CA 1.450 59.521 58.200 -0.216 0.000 0.946 180 S CB 0.022 63.051 63.200 -0.285 0.000 0.797 180 S HN 0.762 nan 8.310 nan 0.000 0.504 181 T N 1.875 116.335 114.554 -0.157 0.000 3.046 181 T HA 0.271 4.621 4.350 0.001 0.000 0.242 181 T C 1.726 176.326 174.700 -0.168 0.000 1.018 181 T CA -0.025 61.997 62.100 -0.130 0.000 1.131 181 T CB -0.246 68.569 68.868 -0.088 0.000 0.904 181 T HN 0.166 nan 8.240 nan 0.000 0.459 182 L N 1.953 123.074 121.223 -0.171 0.000 2.042 182 L HA -0.041 4.299 4.340 0.001 0.000 0.210 182 L C -0.962 175.744 176.870 -0.274 0.000 1.076 182 L CA 1.632 56.372 54.840 -0.167 0.000 0.749 182 L CB -0.861 41.145 42.059 -0.089 0.000 0.893 182 L HN 0.146 nan 8.230 nan 0.000 0.432 183 P HA -0.240 nan 4.420 nan 0.000 0.215 183 P C 1.349 178.192 177.300 -0.762 0.000 1.157 183 P CA 1.363 64.007 63.100 -0.759 0.000 0.874 183 P CB -0.155 30.703 31.700 -1.404 0.000 0.790 184 Q N -0.021 119.406 119.800 -0.623 0.000 2.119 184 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 184 Q C 2.013 177.878 176.000 -0.226 0.000 0.972 184 Q CA 1.415 57.031 55.803 -0.313 0.000 0.847 184 Q CB -0.774 27.883 28.738 -0.134 0.000 0.903 184 Q HN 0.066 nan 8.270 nan 0.000 0.433 185 V N 0.404 120.195 119.914 -0.203 0.000 2.343 185 V HA -0.166 3.955 4.120 0.001 0.000 0.247 185 V C 1.757 177.759 176.094 -0.153 0.000 1.051 185 V CA 0.902 63.117 62.300 -0.142 0.000 1.036 185 V CB -0.293 31.464 31.823 -0.109 0.000 0.654 185 V HN 0.039 nan 8.190 nan 0.000 0.451 189 S N 0.248 115.898 115.700 -0.083 0.000 2.507 189 S HA 0.019 4.489 4.470 0.001 0.000 0.235 189 S C 2.013 176.427 174.600 -0.309 0.000 0.988 189 S CA 2.106 60.180 58.200 -0.210 0.000 0.944 189 S CB -0.087 63.047 63.200 -0.110 0.000 0.762 189 S HN 0.424 nan 8.310 nan 0.000 0.526 190 S N 0.247 115.906 115.700 -0.068 0.000 2.481 190 S HA 0.110 4.580 4.470 0.001 0.000 0.231 190 S C 0.259 174.854 174.600 -0.008 0.000 0.996 190 S CA -0.015 58.214 58.200 0.048 0.000 0.942 190 S CB -0.414 62.917 63.200 0.218 0.000 0.768 190 S HN 0.716 nan 8.310 nan 0.000 0.520 191 Y N 2.889 123.029 120.300 -0.267 0.000 2.531 191 Y HA 0.427 4.978 4.550 0.001 0.000 0.347 191 Y C 1.274 176.937 175.900 -0.395 0.000 1.024 191 Y CA -1.296 56.622 58.100 -0.303 0.000 1.306 191 Y CB 0.021 38.301 38.460 -0.299 0.000 1.149 191 Y HN 0.055 nan 8.280 nan 0.000 0.527 192 G N 4.677 113.077 108.800 -0.666 0.000 2.422 192 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 192 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 192 G C 1.096 175.471 174.900 -0.876 0.000 1.146 192 G CA 0.345 45.036 45.100 -0.682 0.000 0.769 192 G HN 0.656 nan 8.290 nan 0.000 0.547 193 F N 1.452 120.692 119.950 -1.183 0.000 2.641 193 F HA 0.026 4.554 4.527 0.001 0.000 0.298 193 F C 2.800 178.330 175.800 -0.451 0.000 1.146 193 F CA 0.941 58.357 58.000 -0.973 0.000 1.464 193 F CB -0.160 38.239 39.000 -1.002 0.000 1.101 193 F HN 0.393 nan 8.300 nan 0.000 0.585 194 Q N -0.890 118.629 119.800 -0.469 0.000 2.451 194 Q HA -0.038 4.303 4.340 0.001 0.000 0.206 194 Q C -0.644 175.243 176.000 -0.189 0.000 0.947 194 Q CA 0.613 56.263 55.803 -0.255 0.000 0.937 194 Q CB -0.223 28.278 28.738 -0.395 0.000 1.025 194 Q HN 0.289 nan 8.270 nan 0.000 0.511 195 Y N 1.408 121.713 120.300 0.008 0.000 2.420 195 Y HA 0.366 4.916 4.550 0.001 0.000 0.334 195 Y C 0.534 176.300 175.900 -0.223 0.000 1.094 195 Y CA -1.446 56.607 58.100 -0.078 0.000 1.126 195 Y CB 1.565 39.944 38.460 -0.134 0.000 1.217 195 Y HN 0.083 nan 8.280 nan 0.000 0.462 196 S N 1.472 116.939 115.700 -0.388 0.000 2.645 196 S HA 0.299 4.769 4.470 0.001 0.000 0.266 196 S C -2.120 172.176 174.600 -0.507 0.000 1.258 196 S CA -1.135 56.385 58.200 -1.133 0.000 0.990 196 S CB 1.401 64.046 63.200 -0.925 0.000 0.967 196 S HN 0.417 nan 8.310 nan 0.000 0.556 197 P HA 0.013 nan 4.420 nan 0.000 0.216 197 P C 1.640 178.850 177.300 -0.149 0.000 1.150 197 P CA 1.583 64.556 63.100 -0.211 0.000 0.837 197 P CB -0.436 31.159 31.700 -0.176 0.000 0.786 198 G N -0.382 108.301 108.800 -0.195 0.000 2.402 198 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 198 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 198 G C 1.494 176.319 174.900 -0.126 0.000 1.162 198 G CA 0.454 45.488 45.100 -0.110 0.000 0.777 198 G HN 0.298 nan 8.290 nan 0.000 0.539 199 Q N -0.444 119.257 119.800 -0.166 0.000 2.167 199 Q HA 0.006 4.347 4.340 0.001 0.000 0.202 199 Q C 2.546 178.338 176.000 -0.346 0.000 0.970 199 Q CA 0.889 56.590 55.803 -0.170 0.000 0.855 199 Q CB -0.108 28.607 28.738 -0.039 0.000 0.911 199 Q HN 0.473 nan 8.270 nan 0.000 0.438 200 R N 0.442 120.777 120.500 -0.276 0.000 2.075 200 R HA -0.121 4.219 4.340 0.001 0.000 0.232 200 R C 2.008 178.190 176.300 -0.196 0.000 1.126 200 R CA 1.180 57.105 56.100 -0.292 0.000 0.963 200 R CB -0.068 30.178 30.300 -0.090 0.000 0.858 200 R HN 0.089 nan 8.270 nan 0.000 0.435 201 V N 1.425 121.255 119.914 -0.140 0.000 2.343 201 V HA -0.227 3.893 4.120 0.001 0.000 0.247 201 V C 2.366 178.372 176.094 -0.147 0.000 1.051 201 V CA 2.219 64.446 62.300 -0.122 0.000 1.036 201 V CB -0.620 31.170 31.823 -0.056 0.000 0.654 201 V HN 0.503 nan 8.190 nan 0.000 0.451 202 E N -0.149 119.975 120.200 -0.127 0.000 2.051 202 E HA -0.281 4.070 4.350 0.001 0.000 0.192 202 E C 2.127 178.657 176.600 -0.116 0.000 0.991 202 E CA 1.710 58.046 56.400 -0.107 0.000 0.799 202 E CB -0.243 29.412 29.700 -0.075 0.000 0.748 202 E HN 0.524 nan 8.360 nan 0.000 0.449 203 F N 1.306 121.059 119.950 -0.328 0.000 2.134 203 F HA -0.141 4.386 4.527 0.001 0.000 0.299 203 F C 1.906 177.585 175.800 -0.201 0.000 1.097 203 F CA 1.332 59.145 58.000 -0.313 0.000 1.264 203 F CB -0.241 38.414 39.000 -0.575 0.000 1.001 203 F HN 0.020 nan 8.300 nan 0.000 0.479 204 L N -0.891 120.159 121.223 -0.288 0.000 2.017 204 L HA -0.221 4.119 4.340 0.001 0.000 0.208 204 L C 2.406 179.112 176.870 -0.273 0.000 1.073 204 L CA 1.110 55.763 54.840 -0.311 0.000 0.745 204 L CB -0.909 41.024 42.059 -0.211 0.000 0.894 204 L HN -0.002 nan 8.230 nan 0.000 0.432 205 V N 0.088 119.831 119.914 -0.284 0.000 2.295 205 V HA -0.268 3.853 4.120 0.001 0.000 0.246 205 V C 2.241 178.234 176.094 -0.168 0.000 1.049 205 V CA 1.852 63.975 62.300 -0.295 0.000 1.024 205 V CB -0.660 30.880 31.823 -0.472 0.000 0.648 205 V HN 0.473 nan 8.190 nan 0.000 0.447 206 N N 0.063 118.652 118.700 -0.185 0.000 2.120 206 N HA -0.141 4.599 4.740 0.001 0.000 0.188 206 N C 1.918 177.327 175.510 -0.167 0.000 1.024 206 N CA 1.976 54.942 53.050 -0.140 0.000 0.852 206 N CB -0.680 37.741 38.487 -0.110 0.000 1.003 206 N HN 0.459 nan 8.380 nan 0.000 0.424 207 T N 0.529 114.902 114.554 -0.301 0.000 2.708 207 T HA -0.153 4.197 4.350 0.001 0.000 0.266 207 T C 1.514 176.133 174.700 -0.134 0.000 1.037 207 T CA 0.735 62.652 62.100 -0.305 0.000 1.146 207 T CB -0.298 68.244 68.868 -0.543 0.000 0.865 207 T HN 0.420 nan 8.240 nan 0.000 0.435 208 W N 2.269 123.410 121.300 -0.265 0.000 2.335 208 W HA -0.160 4.499 4.660 -0.001 0.000 0.311 208 W C 1.929 178.362 176.519 -0.143 0.000 1.213 208 W CA 1.396 58.626 57.345 -0.191 0.000 1.274 208 W CB -0.190 29.148 29.460 -0.202 0.000 1.148 208 W HN 0.281 nan 8.180 nan 0.000 0.498 209 K N 0.195 120.610 120.400 0.024 0.000 2.211 209 K HA -0.154 4.167 4.320 0.001 0.000 0.203 209 K C 2.191 178.735 176.600 -0.093 0.000 1.050 209 K CA 1.746 58.013 56.287 -0.034 0.000 0.945 209 K CB -0.406 32.089 32.500 -0.009 0.000 0.732 209 K HN 0.080 nan 8.250 nan 0.000 0.451 210 S N 0.659 116.294 115.700 -0.108 0.000 2.447 210 S HA -0.038 4.432 4.470 0.001 0.000 0.233 210 S C 0.646 175.171 174.600 -0.125 0.000 1.006 210 S CA 0.507 58.647 58.200 -0.101 0.000 0.957 210 S CB -0.001 63.143 63.200 -0.093 0.000 0.773 210 S HN -0.030 nan 8.310 nan 0.000 0.507 211 K N 1.837 122.121 120.400 -0.192 0.000 2.144 211 K HA 0.361 4.681 4.320 0.001 0.000 0.270 211 K C 0.705 177.188 176.600 -0.195 0.000 1.005 211 K CA -0.275 55.884 56.287 -0.212 0.000 0.932 211 K CB 0.929 33.237 32.500 -0.319 0.000 1.021 211 K HN 0.218 nan 8.250 nan 0.000 0.462 212 K N 0.979 121.292 120.400 -0.144 0.000 2.031 212 K HA -0.018 4.302 4.320 0.001 0.000 0.205 212 K C 0.150 176.672 176.600 -0.131 0.000 1.049 212 K CA 1.090 57.310 56.287 -0.112 0.000 0.939 212 K CB 0.172 32.626 32.500 -0.077 0.000 0.717 212 K HN 0.415 nan 8.250 nan 0.000 0.438 213 N N 1.259 119.870 118.700 -0.149 0.000 2.762 213 N HA 0.202 4.942 4.740 0.001 0.000 0.252 213 N C -2.759 172.626 175.510 -0.209 0.000 1.269 213 N CA -1.069 51.897 53.050 -0.141 0.000 0.799 213 N CB 1.458 39.898 38.487 -0.079 0.000 1.173 213 N HN 0.043 nan 8.380 nan 0.000 0.516 217 F N -0.443 119.466 119.950 -0.068 0.000 2.665 217 F HA 0.831 5.360 4.527 0.003 0.000 0.308 217 F C -0.265 175.511 175.800 -0.040 0.000 1.112 217 F CA -1.129 56.827 58.000 -0.073 0.000 0.972 217 F CB 1.431 40.371 39.000 -0.101 0.000 1.295 217 F HN 0.762 nan 8.300 nan 0.000 0.440 218 S N 1.514 117.257 115.700 0.072 0.000 2.565 218 S HA 0.640 5.111 4.470 0.001 0.000 0.290 218 S C -1.563 173.184 174.600 0.245 0.000 1.150 218 S CA -0.604 57.610 58.200 0.023 0.000 1.058 218 S CB 1.686 64.898 63.200 0.020 0.000 1.032 218 S HN 0.864 nan 8.310 nan 0.000 0.510 219 Y N 1.444 121.814 120.300 0.117 0.000 2.328 219 Y HA 0.458 5.008 4.550 -0.000 0.000 0.333 219 Y C -1.008 175.006 175.900 0.191 0.000 0.958 219 Y CA -0.872 57.382 58.100 0.256 0.000 1.167 219 Y CB 1.384 40.094 38.460 0.416 0.000 1.151 219 Y HN 0.863 nan 8.280 nan 0.000 0.470 220 D N 4.293 124.511 120.400 -0.303 0.000 2.373 220 D HA 0.234 4.874 4.640 0.001 0.000 0.227 220 D C -0.867 175.277 176.300 -0.261 0.000 1.091 220 D CA -0.115 53.783 54.000 -0.170 0.000 0.840 220 D CB 1.019 41.760 40.800 -0.098 0.000 1.060 220 D HN 0.465 nan 8.370 nan 0.000 0.502 221 T N 4.180 118.765 114.554 0.052 0.000 2.794 221 T HA 0.141 4.492 4.350 0.001 0.000 0.296 221 T C 0.370 175.178 174.700 0.181 0.000 0.949 221 T CA -0.555 61.672 62.100 0.211 0.000 1.101 221 T CB 0.675 69.895 68.868 0.586 0.000 0.905 221 T HN 0.293 nan 8.240 nan 0.000 0.516 222 R N 2.726 123.288 120.500 0.105 0.000 2.458 222 R HA 0.041 4.382 4.340 0.001 0.000 0.303 222 R C 0.377 176.794 176.300 0.196 0.000 1.013 222 R CA -0.084 56.075 56.100 0.098 0.000 1.026 222 R CB -0.632 29.674 30.300 0.010 0.000 0.948 222 R HN 0.963 nan 8.270 nan 0.000 0.417 223 C N 6.643 126.086 119.300 0.238 0.000 3.349 223 C HA -0.196 4.265 4.460 0.001 0.000 0.275 223 C C 1.322 176.527 174.990 0.358 0.000 1.322 223 C CA 0.236 59.442 59.018 0.314 0.000 2.261 223 C CB -2.489 25.489 27.740 0.398 0.000 1.446 223 C HN 1.067 nan 8.230 nan 0.000 0.533 224 F N 1.820 121.893 119.950 0.205 0.000 2.063 224 F HA -0.172 4.355 4.527 0.000 0.000 0.298 224 F C 1.832 177.747 175.800 0.191 0.000 1.105 224 F CA 2.673 60.792 58.000 0.199 0.000 1.215 224 F CB -0.129 38.976 39.000 0.174 0.000 0.972 224 F HN 0.573 nan 8.300 nan 0.000 0.483 225 D N -0.510 120.124 120.400 0.389 0.000 2.158 225 D HA -0.173 4.467 4.640 0.001 0.000 0.197 225 D C 2.437 178.805 176.300 0.113 0.000 0.995 225 D CA 1.704 55.859 54.000 0.259 0.000 0.846 225 D CB -0.501 40.456 40.800 0.263 0.000 0.941 225 D HN 0.248 nan 8.370 nan 0.000 0.456 226 S N -0.735 115.048 115.700 0.138 0.000 2.461 226 S HA -0.085 4.385 4.470 0.001 0.000 0.228 226 S C 1.991 176.580 174.600 -0.018 0.000 1.005 226 S CA 1.256 59.443 58.200 -0.021 0.000 0.942 226 S CB -0.146 62.986 63.200 -0.113 0.000 0.776 226 S HN 0.524 nan 8.310 nan 0.000 0.514 227 T N -0.487 114.129 114.554 0.104 0.000 3.055 227 T HA 0.123 4.474 4.350 0.001 0.000 0.265 227 T C 0.627 175.268 174.700 -0.099 0.000 1.111 227 T CA 0.059 62.203 62.100 0.072 0.000 1.118 227 T CB -0.398 68.457 68.868 -0.022 0.000 0.909 227 T HN 0.030 nan 8.240 nan 0.000 0.501 228 V N 4.097 123.916 119.914 -0.158 0.000 2.446 228 V HA 0.292 4.413 4.120 0.001 0.000 0.276 228 V C 1.173 177.219 176.094 -0.079 0.000 1.030 228 V CA -0.145 62.079 62.300 -0.127 0.000 1.033 228 V CB -0.086 31.697 31.823 -0.066 0.000 0.993 228 V HN 0.731 nan 8.190 nan 0.000 0.477 229 T N 0.965 115.480 114.554 -0.066 0.000 2.897 229 T HA 0.308 4.659 4.350 0.001 0.000 0.278 229 T C 1.035 175.712 174.700 -0.039 0.000 0.981 229 T CA -0.341 61.722 62.100 -0.063 0.000 0.973 229 T CB 1.454 70.272 68.868 -0.084 0.000 1.092 229 T HN 0.656 nan 8.240 nan 0.000 0.543 230 E N 0.216 120.396 120.200 -0.033 0.000 2.106 230 E HA -0.222 4.129 4.350 0.001 0.000 0.192 230 E C 1.939 178.533 176.600 -0.010 0.000 0.984 230 E CA 1.312 57.707 56.400 -0.008 0.000 0.806 230 E CB -0.194 29.510 29.700 0.006 0.000 0.750 230 E HN 0.744 nan 8.360 nan 0.000 0.458 231 N N 0.951 119.633 118.700 -0.031 0.000 2.043 231 N HA -0.210 4.530 4.740 0.001 0.000 0.193 231 N C 1.439 176.950 175.510 0.001 0.000 1.037 231 N CA 2.212 55.248 53.050 -0.025 0.000 0.851 231 N CB -0.165 38.287 38.487 -0.059 0.000 1.027 231 N HN 0.118 nan 8.380 nan 0.000 0.422 232 D N 0.109 120.509 120.400 -0.001 0.000 2.116 232 D HA -0.157 4.483 4.640 0.001 0.000 0.193 232 D C 2.006 178.311 176.300 0.007 0.000 0.998 232 D CA 1.206 55.219 54.000 0.021 0.000 0.836 232 D CB -0.381 40.426 40.800 0.011 0.000 0.951 232 D HN 0.470 nan 8.370 nan 0.000 0.449 233 I N 0.499 121.074 120.570 0.010 0.000 2.394 233 I HA -0.186 3.984 4.170 0.001 0.000 0.251 233 I C 2.483 178.601 176.117 0.002 0.000 1.136 233 I CA 0.894 62.207 61.300 0.021 0.000 1.425 233 I CB -0.066 37.972 38.000 0.062 0.000 1.079 233 I HN -0.106 nan 8.210 nan 0.000 0.425 234 R N -0.074 120.426 120.500 0.001 0.000 2.090 234 R HA -0.041 4.299 4.340 0.001 0.000 0.228 234 R C 2.325 178.595 176.300 -0.049 0.000 1.110 234 R CA 0.860 56.955 56.100 -0.009 0.000 0.973 234 R CB -0.296 30.005 30.300 0.002 0.000 0.869 234 R HN 0.194 nan 8.270 nan 0.000 0.440 235 V N 1.549 121.439 119.914 -0.042 0.000 2.407 235 V HA -0.235 3.886 4.120 0.001 0.000 0.248 235 V C 1.892 177.890 176.094 -0.160 0.000 1.055 235 V CA 1.812 64.076 62.300 -0.060 0.000 1.049 235 V CB -0.370 31.454 31.823 0.002 0.000 0.662 235 V HN 0.345 nan 8.190 nan 0.000 0.455 236 E N -0.289 119.785 120.200 -0.211 0.000 2.051 236 E HA -0.261 4.090 4.350 0.001 0.000 0.192 236 E C 2.324 178.418 176.600 -0.844 0.000 0.991 236 E CA 1.369 57.491 56.400 -0.462 0.000 0.799 236 E CB -0.175 29.310 29.700 -0.358 0.000 0.748 236 E HN 0.606 nan 8.360 nan 0.000 0.449 237 E N 0.635 120.543 120.200 -0.488 0.000 2.110 237 E HA -0.184 4.167 4.350 0.001 0.000 0.193 237 E C 2.131 178.617 176.600 -0.192 0.000 0.988 237 E CA 1.399 57.612 56.400 -0.311 0.000 0.804 237 E CB 0.048 29.743 29.700 -0.009 0.000 0.745 237 E HN 0.230 nan 8.360 nan 0.000 0.458 238 S N 0.249 115.855 115.700 -0.158 0.000 2.399 238 S HA -0.124 4.346 4.470 0.001 0.000 0.231 238 S C 2.046 176.591 174.600 -0.092 0.000 1.022 238 S CA 0.823 58.972 58.200 -0.085 0.000 0.983 238 S CB -0.465 62.697 63.200 -0.064 0.000 0.803 238 S HN 0.272 nan 8.310 nan 0.000 0.480 239 I N 0.088 120.552 120.570 -0.177 0.000 2.233 239 I HA -0.109 4.061 4.170 0.001 0.000 0.243 239 I C 2.318 178.428 176.117 -0.010 0.000 1.093 239 I CA 1.205 62.433 61.300 -0.120 0.000 1.380 239 I CB -0.530 37.373 38.000 -0.163 0.000 1.067 239 I HN 0.211 nan 8.210 nan 0.000 0.413 240 Y N 1.163 121.459 120.300 -0.008 0.000 2.165 240 Y HA -0.235 4.315 4.550 0.001 0.000 0.286 240 Y C 2.651 178.555 175.900 0.007 0.000 1.155 240 Y CA 0.675 58.774 58.100 -0.001 0.000 1.164 240 Y CB -1.177 37.296 38.460 0.023 0.000 0.978 240 Y HN 0.253 nan 8.280 nan 0.000 0.513 241 Q N -1.162 118.726 119.800 0.147 0.000 2.437 241 Q HA -0.120 4.221 4.340 0.001 0.000 0.210 241 Q C 2.327 178.360 176.000 0.055 0.000 0.972 241 Q CA 0.869 56.726 55.803 0.090 0.000 0.903 241 Q CB -0.814 27.959 28.738 0.059 0.000 0.967 241 Q HN 0.523 nan 8.270 nan 0.000 0.486 242 C N 0.160 119.486 119.300 0.043 0.000 2.432 242 C HA -0.044 4.417 4.460 0.001 0.000 0.280 242 C C 1.584 176.590 174.990 0.027 0.000 1.353 242 C CA -0.641 58.391 59.018 0.023 0.000 1.766 242 C CB -0.654 27.090 27.740 0.007 0.000 1.924 242 C HN 0.417 nan 8.230 nan 0.000 0.509 243 C N 1.936 121.261 119.300 0.042 0.000 2.727 243 C HA 0.120 4.580 4.460 0.001 0.000 0.401 243 C C 0.552 175.560 174.990 0.031 0.000 1.294 243 C CA -0.266 58.772 59.018 0.033 0.000 2.134 243 C CB -0.265 27.499 27.740 0.040 0.000 2.724 243 C HN 0.510 nan 8.230 nan 0.000 0.677 244 D N 1.801 122.214 120.400 0.022 0.000 2.336 244 D HA 0.438 5.078 4.640 0.001 0.000 0.249 244 D C -0.599 175.719 176.300 0.030 0.000 1.213 244 D CA 0.338 54.352 54.000 0.023 0.000 0.870 244 D CB 0.026 40.835 40.800 0.016 0.000 1.076 244 D HN 0.400 nan 8.370 nan 0.000 0.483 245 L N 2.012 123.257 121.223 0.037 0.000 2.333 245 L HA 0.673 5.013 4.340 0.001 0.000 0.263 245 L C 0.343 177.242 176.870 0.049 0.000 1.014 245 L CA -1.443 53.425 54.840 0.047 0.000 0.820 245 L CB 1.824 43.919 42.059 0.059 0.000 1.352 245 L HN 0.336 nan 8.230 nan 0.000 0.421 246 A N 1.529 124.385 122.820 0.060 0.000 2.407 246 A HA 0.415 4.736 4.320 0.001 0.000 0.248 246 A C -1.856 175.769 177.584 0.069 0.000 1.082 246 A CA -0.995 51.080 52.037 0.063 0.000 0.785 246 A CB 0.026 19.072 19.000 0.077 0.000 1.020 246 A HN 0.622 nan 8.150 nan 0.000 0.489 247 P HA -0.203 nan 4.420 nan 0.000 0.216 247 P C 1.241 178.573 177.300 0.053 0.000 1.154 247 P CA 1.730 64.858 63.100 0.046 0.000 0.865 247 P CB 0.218 31.940 31.700 0.037 0.000 0.789 248 E N -0.952 119.302 120.200 0.089 0.000 2.110 248 E HA -0.179 4.172 4.350 0.001 0.000 0.193 248 E C 1.999 178.673 176.600 0.124 0.000 0.988 248 E CA 1.072 57.542 56.400 0.117 0.000 0.804 248 E CB -0.425 29.429 29.700 0.256 0.000 0.745 248 E HN 0.106 nan 8.360 nan 0.000 0.458 249 A N 1.029 123.952 122.820 0.171 0.000 1.930 249 A HA -0.163 4.157 4.320 0.001 0.000 0.217 249 A C 2.025 179.664 177.584 0.091 0.000 1.175 249 A CA 1.123 53.266 52.037 0.177 0.000 0.627 249 A CB -0.312 18.784 19.000 0.160 0.000 0.815 249 A HN 0.117 nan 8.150 nan 0.000 0.443 250 R N -1.075 119.464 120.500 0.065 0.000 2.096 250 R HA -0.164 4.176 4.340 0.001 0.000 0.235 250 R C 2.463 178.770 176.300 0.012 0.000 1.127 250 R CA 1.613 57.742 56.100 0.048 0.000 0.968 250 R CB -0.263 30.060 30.300 0.039 0.000 0.861 250 R HN 0.630 nan 8.270 nan 0.000 0.440 251 Q N 0.849 120.635 119.800 -0.024 0.000 2.046 251 Q HA -0.068 4.273 4.340 0.001 0.000 0.200 251 Q C 1.976 177.893 176.000 -0.137 0.000 0.975 251 Q CA 2.003 57.759 55.803 -0.079 0.000 0.836 251 Q CB -0.265 28.410 28.738 -0.106 0.000 0.896 251 Q HN 0.313 nan 8.270 nan 0.000 0.428 252 A N 0.167 122.865 122.820 -0.204 0.000 1.940 252 A HA -0.150 4.170 4.320 0.001 0.000 0.219 252 A C 2.134 179.658 177.584 -0.101 0.000 1.176 252 A CA 1.564 53.425 52.037 -0.293 0.000 0.631 252 A CB -0.761 17.956 19.000 -0.471 0.000 0.814 252 A HN 0.494 nan 8.150 nan 0.000 0.446 253 I N -0.764 119.810 120.570 0.007 0.000 2.315 253 I HA -0.229 3.942 4.170 0.001 0.000 0.248 253 I C 2.515 178.683 176.117 0.085 0.000 1.117 253 I CA 1.718 63.077 61.300 0.099 0.000 1.404 253 I CB -0.205 37.889 38.000 0.158 0.000 1.071 253 I HN 0.383 nan 8.210 nan 0.000 0.419 254 K N 0.539 120.959 120.400 0.033 0.000 2.026 254 K HA -0.203 4.118 4.320 0.001 0.000 0.208 254 K C 2.375 178.960 176.600 -0.024 0.000 1.048 254 K CA 1.790 58.088 56.287 0.019 0.000 0.929 254 K CB -0.111 32.387 32.500 -0.003 0.000 0.713 254 K HN 0.096 nan 8.250 nan 0.000 0.439 255 S N 0.649 116.305 115.700 -0.074 0.000 2.356 255 S HA -0.092 4.378 4.470 0.001 0.000 0.223 255 S C 1.933 176.447 174.600 -0.143 0.000 1.032 255 S CA 1.179 59.313 58.200 -0.111 0.000 1.005 255 S CB -0.260 62.846 63.200 -0.157 0.000 0.867 255 S HN 0.353 nan 8.310 nan 0.000 0.449 256 L N 0.720 121.834 121.223 -0.181 0.000 2.131 256 L HA -0.081 4.259 4.340 0.001 0.000 0.210 256 L C 2.694 179.280 176.870 -0.474 0.000 1.092 256 L CA 1.418 56.033 54.840 -0.375 0.000 0.759 256 L CB -0.829 40.980 42.059 -0.418 0.000 0.903 256 L HN 0.340 nan 8.230 nan 0.000 0.435 257 T N -1.172 113.304 114.554 -0.129 0.000 2.777 257 T HA -0.118 4.233 4.350 0.001 0.000 0.266 257 T C 1.787 176.491 174.700 0.007 0.000 1.040 257 T CA 0.986 63.124 62.100 0.065 0.000 1.141 257 T CB -0.038 68.938 68.868 0.180 0.000 0.868 257 T HN 0.279 nan 8.240 nan 0.000 0.444 258 E N 1.384 121.569 120.200 -0.025 0.000 2.072 258 E HA -0.016 4.335 4.350 0.001 0.000 0.190 258 E C 2.372 178.954 176.600 -0.031 0.000 0.982 258 E CA 0.945 57.335 56.400 -0.016 0.000 0.803 258 E CB -0.141 29.546 29.700 -0.021 0.000 0.755 258 E HN 0.473 nan 8.360 nan 0.000 0.453 259 R N -0.355 120.100 120.500 -0.076 0.000 2.210 259 R HA 0.080 4.420 4.340 0.001 0.000 0.203 259 R C 1.873 178.116 176.300 -0.094 0.000 1.010 259 R CA 0.417 56.473 56.100 -0.074 0.000 1.008 259 R CB 0.211 30.459 30.300 -0.086 0.000 0.923 259 R HN 0.052 nan 8.270 nan 0.000 0.469 260 L N -2.210 118.912 121.223 -0.167 0.000 2.691 260 L HA 0.176 4.517 4.340 0.001 0.000 0.185 260 L C 1.322 178.178 176.870 -0.023 0.000 1.081 260 L CA 0.664 55.409 54.840 -0.157 0.000 0.865 260 L CB -0.312 41.572 42.059 -0.292 0.000 1.370 260 L HN -0.150 nan 8.230 nan 0.000 0.488 261 Y N 0.600 120.923 120.300 0.038 0.000 2.165 261 Y HA -0.136 4.415 4.550 0.001 0.000 0.286 261 Y C 2.559 178.471 175.900 0.020 0.000 1.155 261 Y CA 1.688 59.817 58.100 0.048 0.000 1.164 261 Y CB -1.082 37.430 38.460 0.087 0.000 0.978 261 Y HN 0.146 nan 8.280 nan 0.000 0.513 262 I N -1.033 119.627 120.570 0.149 0.000 2.315 262 I HA -0.033 4.137 4.170 0.001 0.000 0.248 262 I C 1.273 177.406 176.117 0.026 0.000 1.117 262 I CA 1.347 62.694 61.300 0.078 0.000 1.404 262 I CB -0.370 37.667 38.000 0.062 0.000 1.071 262 I HN 0.295 nan 8.210 nan 0.000 0.419 263 G N -1.127 107.670 108.800 -0.004 0.000 2.315 263 G HA2 0.503 4.463 3.960 0.001 0.000 0.294 263 G HA3 0.503 4.463 3.960 0.001 0.000 0.294 263 G C -1.062 173.704 174.900 -0.224 0.000 1.300 263 G CA -0.137 44.894 45.100 -0.115 0.000 0.843 263 G HN 0.400 nan 8.290 nan 0.000 0.527 264 G N -0.901 107.497 108.800 -0.670 0.000 2.321 264 G HA2 0.704 4.665 3.960 0.001 0.000 0.298 264 G HA3 0.704 4.665 3.960 0.001 0.000 0.298 264 G C -3.476 170.826 174.900 -0.996 0.000 1.385 264 G CA 0.075 44.771 45.100 -0.673 0.000 0.856 264 G HN 0.763 nan 8.290 nan 0.000 0.584 265 P HA 0.472 nan 4.420 nan 0.000 0.274 265 P C -0.557 176.668 177.300 -0.125 0.000 1.231 265 P CA -0.254 62.746 63.100 -0.167 0.000 0.790 265 P CB 1.357 33.103 31.700 0.076 0.000 0.951 266 L N 2.109 123.306 121.223 -0.044 0.000 2.305 266 L HA 0.429 4.770 4.340 0.001 0.000 0.284 266 L C 0.438 177.322 176.870 0.024 0.000 1.013 266 L CA -0.227 54.613 54.840 -0.000 0.000 0.819 266 L CB 1.561 43.670 42.059 0.083 0.000 1.227 266 L HN 0.282 nan 8.230 nan 0.000 0.417 267 T N 1.687 116.228 114.554 -0.021 0.000 2.807 267 T HA 0.313 4.663 4.350 0.001 0.000 0.279 267 T C -0.120 174.557 174.700 -0.037 0.000 0.993 267 T CA -0.809 61.278 62.100 -0.022 0.000 0.970 267 T CB 1.433 70.272 68.868 -0.049 0.000 0.950 267 T HN 0.642 nan 8.240 nan 0.000 0.441 268 N N 0.901 119.594 118.700 -0.011 0.000 2.327 268 N HA 0.107 4.847 4.740 0.001 0.000 0.257 268 N C 1.457 176.952 175.510 -0.025 0.000 1.281 268 N CA -0.239 52.804 53.050 -0.012 0.000 0.942 268 N CB 0.146 38.634 38.487 0.003 0.000 1.199 268 N HN 0.444 nan 8.380 nan 0.000 0.532 269 S N -0.996 114.698 115.700 -0.010 0.000 2.442 269 S HA -0.111 4.360 4.470 0.001 0.000 0.236 269 S C 1.047 175.638 174.600 -0.014 0.000 1.007 269 S CA 0.730 58.926 58.200 -0.007 0.000 0.965 269 S CB -0.436 62.774 63.200 0.016 0.000 0.773 269 S HN 0.640 nan 8.310 nan 0.000 0.504 270 K N 0.697 121.090 120.400 -0.012 0.000 2.444 270 K HA 0.266 4.587 4.320 0.001 0.000 0.193 270 K C 1.208 177.797 176.600 -0.019 0.000 1.024 270 K CA 0.376 56.655 56.287 -0.013 0.000 1.077 270 K CB -0.097 32.399 32.500 -0.006 0.000 0.833 270 K HN 0.556 nan 8.250 nan 0.000 0.517 271 G N 1.713 110.498 108.800 -0.024 0.000 2.141 271 G HA2 -0.271 3.689 3.960 0.001 0.000 0.242 271 G HA3 -0.271 3.689 3.960 0.001 0.000 0.242 271 G C -0.279 174.614 174.900 -0.012 0.000 0.982 271 G CA -0.184 44.900 45.100 -0.027 0.000 0.662 271 G HN 0.340 nan 8.290 nan 0.000 0.527 272 Q N 0.121 119.920 119.800 -0.002 0.000 2.230 272 Q HA 0.345 4.686 4.340 0.001 0.000 0.248 272 Q C 0.274 176.289 176.000 0.025 0.000 0.915 272 Q CA -0.633 55.178 55.803 0.013 0.000 0.900 272 Q CB 1.075 29.823 28.738 0.016 0.000 1.229 272 Q HN 0.371 nan 8.270 nan 0.000 0.439 273 N N 1.343 120.066 118.700 0.039 0.000 2.420 273 N HA 0.027 4.767 4.740 0.001 0.000 0.262 273 N C -0.246 175.320 175.510 0.093 0.000 1.144 273 N CA -0.360 52.727 53.050 0.061 0.000 0.952 273 N CB 0.635 39.161 38.487 0.065 0.000 1.081 273 N HN 0.608 nan 8.380 nan 0.000 0.480 274 C N 2.868 122.243 119.300 0.125 0.000 2.590 274 C HA 0.404 4.864 4.460 0.001 0.000 0.272 274 C C 1.275 176.463 174.990 0.331 0.000 1.338 274 C CA 0.384 59.526 59.018 0.206 0.000 1.746 274 C CB -0.996 26.876 27.740 0.219 0.000 2.020 274 C HN 0.942 nan 8.230 nan 0.000 0.531 275 G N -1.430 107.506 108.800 0.227 0.000 2.398 275 G HA2 0.324 4.285 3.960 0.001 0.000 0.251 275 G HA3 0.324 4.285 3.960 0.001 0.000 0.251 275 G C -2.206 172.759 174.900 0.109 0.000 1.277 275 G CA -0.418 44.778 45.100 0.161 0.000 0.927 275 G HN 0.012 nan 8.290 nan 0.000 0.477 276 Y N 0.661 120.865 120.300 -0.160 0.000 2.492 276 Y HA 0.765 5.316 4.550 0.001 0.000 0.346 276 Y C 0.060 175.856 175.900 -0.174 0.000 0.997 276 Y CA -0.864 57.161 58.100 -0.125 0.000 1.025 276 Y CB 2.027 40.423 38.460 -0.106 0.000 1.263 276 Y HN 0.698 nan 8.280 nan 0.000 0.454 277 R N 4.519 124.753 120.500 -0.444 0.000 2.460 277 R HA 0.576 4.916 4.340 0.001 0.000 0.303 277 R C -0.746 175.344 176.300 -0.349 0.000 0.968 277 R CA -0.582 55.269 56.100 -0.416 0.000 0.889 277 R CB 0.954 31.092 30.300 -0.270 0.000 1.123 277 R HN 0.928 nan 8.270 nan 0.000 0.455 278 R N 3.031 123.317 120.500 -0.357 0.000 2.637 278 R HA 0.210 4.550 4.340 0.001 0.000 0.446 278 R C -0.658 175.514 176.300 -0.215 0.000 1.024 278 R CA -0.317 55.685 56.100 -0.163 0.000 1.080 278 R CB 0.503 30.771 30.300 -0.053 0.000 1.421 278 R HN 0.795 nan 8.270 nan 0.000 0.593 279 C N -1.816 117.302 119.300 -0.303 0.000 3.321 279 C HA 0.632 5.092 4.460 0.001 0.000 0.363 279 C C -0.215 174.709 174.990 -0.110 0.000 1.705 279 C CA -1.500 57.384 59.018 -0.222 0.000 1.298 279 C CB 1.244 28.787 27.740 -0.329 0.000 2.086 279 C HN 0.377 nan 8.230 nan 0.000 0.438 280 R N 1.235 121.720 120.500 -0.025 0.000 2.538 280 R HA 0.466 4.806 4.340 0.001 0.000 0.282 280 R C 0.072 176.428 176.300 0.092 0.000 1.009 280 R CA 0.981 57.118 56.100 0.061 0.000 1.063 280 R CB -0.089 30.284 30.300 0.121 0.000 0.945 280 R HN 1.213 nan 8.270 nan 0.000 0.414 281 A N 3.590 126.481 122.820 0.119 0.000 2.362 281 A HA 0.227 4.547 4.320 0.001 0.000 0.276 281 A C 0.943 178.629 177.584 0.171 0.000 1.153 281 A CA 0.060 52.189 52.037 0.153 0.000 0.813 281 A CB 0.438 19.543 19.000 0.174 0.000 1.081 281 A HN 1.009 nan 8.150 nan 0.000 0.507 282 S N 1.989 117.803 115.700 0.191 0.000 2.522 282 S HA 0.100 4.570 4.470 0.001 0.000 0.227 282 S C 1.000 175.701 174.600 0.169 0.000 0.986 282 S CA 0.675 58.984 58.200 0.181 0.000 0.929 282 S CB 0.081 63.394 63.200 0.189 0.000 0.769 282 S HN 1.286 nan 8.310 nan 0.000 0.529 283 G N 1.759 110.679 108.800 0.201 0.000 4.912 283 G HA2 0.533 4.493 3.960 0.001 0.000 0.307 283 G HA3 0.533 4.493 3.960 0.001 0.000 0.307 283 G C -0.308 174.719 174.900 0.211 0.000 1.381 283 G CA -0.184 45.038 45.100 0.202 0.000 1.057 283 G HN 0.586 nan 8.290 nan 0.000 0.593 284 V N -2.167 117.856 119.914 0.181 0.000 3.074 284 V HA 0.576 4.696 4.120 0.001 0.000 0.314 284 V C 1.330 177.506 176.094 0.136 0.000 1.117 284 V CA -0.971 61.454 62.300 0.208 0.000 1.014 284 V CB 1.710 33.725 31.823 0.321 0.000 1.057 284 V HN 0.096 nan 8.190 nan 0.000 0.438 285 L N 2.552 123.869 121.223 0.156 0.000 2.081 285 L HA -0.089 4.252 4.340 0.001 0.000 0.212 285 L C 2.361 179.250 176.870 0.032 0.000 1.080 285 L CA 3.177 58.089 54.840 0.120 0.000 0.754 285 L CB -0.773 41.380 42.059 0.156 0.000 0.893 285 L HN 1.110 nan 8.230 nan 0.000 0.433 286 T N -5.841 108.652 114.554 -0.103 0.000 3.148 286 T HA -0.021 4.329 4.350 0.001 0.000 0.253 286 T C 1.579 176.224 174.700 -0.091 0.000 1.134 286 T CA 0.784 62.770 62.100 -0.190 0.000 1.051 286 T CB -0.771 67.805 68.868 -0.487 0.000 0.959 286 T HN 0.300 nan 8.240 nan 0.000 0.525 287 T N 1.867 116.406 114.554 -0.024 0.000 2.684 287 T HA -0.153 4.198 4.350 0.001 0.000 0.267 287 T C 2.200 176.930 174.700 0.052 0.000 1.036 287 T CA 1.723 63.847 62.100 0.039 0.000 1.148 287 T CB -0.583 68.332 68.868 0.079 0.000 0.863 287 T HN 0.541 nan 8.240 nan 0.000 0.436 288 S N -0.325 115.382 115.700 0.012 0.000 2.345 288 S HA -0.137 4.334 4.470 0.001 0.000 0.220 288 S C 2.446 177.076 174.600 0.050 0.000 1.031 288 S CA 1.301 59.499 58.200 -0.003 0.000 0.996 288 S CB -0.933 62.160 63.200 -0.178 0.000 0.882 288 S HN 0.669 nan 8.310 nan 0.000 0.445 289 C N 1.343 120.645 119.300 0.004 0.000 2.432 289 C HA 0.074 4.535 4.460 0.001 0.000 0.277 289 C C 2.832 177.879 174.990 0.095 0.000 1.249 289 C CA 1.160 60.195 59.018 0.029 0.000 1.725 289 C CB -1.795 25.924 27.740 -0.036 0.000 2.028 289 C HN 0.721 nan 8.230 nan 0.000 0.477 290 G N 0.444 109.308 108.800 0.108 0.000 2.446 290 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 290 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 290 G C 1.509 176.511 174.900 0.169 0.000 1.168 290 G CA 1.128 46.307 45.100 0.132 0.000 0.771 290 G HN 0.594 nan 8.290 nan 0.000 0.551 291 N N 0.337 119.149 118.700 0.185 0.000 2.120 291 N HA -0.069 4.671 4.740 0.001 0.000 0.188 291 N C 2.404 177.995 175.510 0.135 0.000 1.024 291 N CA 1.563 54.756 53.050 0.238 0.000 0.852 291 N CB -0.722 37.818 38.487 0.090 0.000 1.003 291 N HN 0.238 nan 8.380 nan 0.000 0.424 292 T N 1.739 116.368 114.554 0.125 0.000 2.708 292 T HA -0.005 4.345 4.350 0.001 0.000 0.266 292 T C 2.134 176.927 174.700 0.155 0.000 1.037 292 T CA 0.679 62.863 62.100 0.140 0.000 1.146 292 T CB -0.313 68.694 68.868 0.231 0.000 0.865 292 T HN 0.115 nan 8.240 nan 0.000 0.435 293 L N 0.635 121.930 121.223 0.120 0.000 1.989 293 L HA -0.147 4.193 4.340 0.001 0.000 0.211 293 L C 2.960 179.930 176.870 0.167 0.000 1.071 293 L CA 1.384 56.285 54.840 0.101 0.000 0.749 293 L CB -1.054 41.029 42.059 0.041 0.000 0.890 293 L HN 0.281 nan 8.230 nan 0.000 0.431 294 T N -1.466 113.205 114.554 0.194 0.000 2.788 294 T HA -0.231 4.120 4.350 0.001 0.000 0.268 294 T C 1.993 176.889 174.700 0.326 0.000 1.044 294 T CA 1.420 63.661 62.100 0.236 0.000 1.139 294 T CB -0.440 68.584 68.868 0.261 0.000 0.867 294 T HN 0.463 nan 8.240 nan 0.000 0.454 295 C N 0.545 120.085 119.300 0.399 0.000 2.446 295 C HA -0.060 4.401 4.460 0.001 0.000 0.277 295 C C 2.374 177.519 174.990 0.259 0.000 1.275 295 C CA 0.370 59.609 59.018 0.370 0.000 1.727 295 C CB -1.372 26.459 27.740 0.151 0.000 2.010 295 C HN 0.652 nan 8.230 nan 0.000 0.486 296 Y N 1.012 121.376 120.300 0.106 0.000 2.145 296 Y HA -0.119 4.432 4.550 0.001 0.000 0.286 296 Y C 2.163 178.086 175.900 0.038 0.000 1.145 296 Y CA 2.108 60.247 58.100 0.066 0.000 1.148 296 Y CB -0.618 37.864 38.460 0.036 0.000 0.981 296 Y HN 0.330 nan 8.280 nan 0.000 0.507 297 L N 1.158 122.444 121.223 0.104 0.000 1.970 297 L HA -0.218 4.122 4.340 0.001 0.000 0.212 297 L C 2.124 178.906 176.870 -0.146 0.000 1.071 297 L CA 2.125 56.915 54.840 -0.084 0.000 0.751 297 L CB -0.999 40.996 42.059 -0.108 0.000 0.889 297 L HN 0.175 nan 8.230 nan 0.000 0.432 298 K N -0.453 119.932 120.400 -0.026 0.000 2.097 298 K HA -0.102 4.218 4.320 0.001 0.000 0.206 298 K C 2.042 178.672 176.600 0.049 0.000 1.049 298 K CA 1.355 57.641 56.287 -0.002 0.000 0.933 298 K CB -0.430 32.154 32.500 0.140 0.000 0.717 298 K HN 0.510 nan 8.250 nan 0.000 0.442 299 A N 1.167 124.016 122.820 0.049 0.000 1.897 299 A HA -0.113 4.207 4.320 0.001 0.000 0.215 299 A C 2.250 179.873 177.584 0.066 0.000 1.181 299 A CA 1.592 53.698 52.037 0.114 0.000 0.620 299 A CB -0.478 18.640 19.000 0.198 0.000 0.821 299 A HN 0.154 nan 8.150 nan 0.000 0.443 300 S N 0.080 115.692 115.700 -0.147 0.000 2.359 300 S HA -0.106 4.365 4.470 0.001 0.000 0.224 300 S C 2.316 176.870 174.600 -0.077 0.000 1.035 300 S CA 1.351 59.428 58.200 -0.206 0.000 1.018 300 S CB -0.508 62.413 63.200 -0.464 0.000 0.876 300 S HN 0.800 nan 8.310 nan 0.000 0.448 301 A N 1.359 124.147 122.820 -0.054 0.000 1.933 301 A HA 0.131 4.452 4.320 0.001 0.000 0.218 301 A C 2.320 179.969 177.584 0.109 0.000 1.175 301 A CA 1.675 53.743 52.037 0.051 0.000 0.628 301 A CB -0.961 18.066 19.000 0.045 0.000 0.814 301 A HN 0.519 nan 8.150 nan 0.000 0.444 302 A N -1.101 121.790 122.820 0.118 0.000 1.930 302 A HA -0.117 4.203 4.320 0.001 0.000 0.217 302 A C 2.272 179.878 177.584 0.036 0.000 1.175 302 A CA 1.507 53.494 52.037 -0.084 0.000 0.627 302 A CB -1.205 17.396 19.000 -0.665 0.000 0.815 302 A HN 0.580 nan 8.150 nan 0.000 0.443 303 C N -0.771 118.654 119.300 0.207 0.000 2.413 303 C HA -0.117 4.343 4.460 0.001 0.000 0.276 303 C C 2.884 177.888 174.990 0.024 0.000 1.236 303 C CA 1.206 60.359 59.018 0.225 0.000 1.735 303 C CB -1.313 26.520 27.740 0.155 0.000 2.031 303 C HN 0.613 nan 8.230 nan 0.000 0.474 304 R N 0.999 121.431 120.500 -0.113 0.000 2.083 304 R HA -0.128 4.213 4.340 0.001 0.000 0.237 304 R C 2.394 178.429 176.300 -0.441 0.000 1.137 304 R CA 1.694 57.605 56.100 -0.315 0.000 0.951 304 R CB -0.571 29.436 30.300 -0.488 0.000 0.851 304 R HN 0.560 nan 8.270 nan 0.000 0.434 305 A N 1.157 123.719 122.820 -0.429 0.000 1.933 305 A HA -0.077 4.244 4.320 0.001 0.000 0.218 305 A C 2.227 179.771 177.584 -0.066 0.000 1.175 305 A CA 1.682 53.601 52.037 -0.197 0.000 0.628 305 A CB -0.441 18.518 19.000 -0.068 0.000 0.814 305 A HN 0.404 nan 8.150 nan 0.000 0.444 306 A N -1.562 121.241 122.820 -0.028 0.000 2.208 306 A HA 0.279 4.599 4.320 0.001 0.000 0.209 306 A C 1.021 178.614 177.584 0.015 0.000 1.161 306 A CA 0.864 52.915 52.037 0.023 0.000 0.782 306 A CB -0.368 18.700 19.000 0.113 0.000 0.816 306 A HN 0.491 nan 8.150 nan 0.000 0.477 307 K N -1.719 118.676 120.400 -0.009 0.000 3.117 307 K HA -0.151 4.170 4.320 0.001 0.000 0.269 307 K C -0.892 175.713 176.600 0.009 0.000 1.098 307 K CA 0.192 56.476 56.287 -0.004 0.000 0.785 307 K CB -1.895 30.608 32.500 0.005 0.000 1.242 307 K HN 0.341 nan 8.250 nan 0.000 0.491 308 L N 1.784 123.021 121.223 0.024 0.000 2.453 308 L HA 0.017 4.357 4.340 0.001 0.000 0.272 308 L C 0.877 177.755 176.870 0.014 0.000 1.182 308 L CA 0.906 55.764 54.840 0.030 0.000 0.858 308 L CB 0.605 42.702 42.059 0.064 0.000 1.120 308 L HN 0.089 nan 8.230 nan 0.000 0.474 309 Q N 2.730 122.533 119.800 0.006 0.000 2.274 309 Q HA 0.095 4.435 4.340 0.001 0.000 0.256 309 Q C -0.196 175.796 176.000 -0.014 0.000 0.927 309 Q CA -0.360 55.440 55.803 -0.005 0.000 0.939 309 Q CB 0.872 29.603 28.738 -0.011 0.000 1.201 309 Q HN 0.520 nan 8.270 nan 0.000 0.426 310 D N 1.223 121.616 120.400 -0.012 0.000 2.803 310 D HA -0.184 4.457 4.640 0.001 0.000 0.233 310 D C -1.098 175.188 176.300 -0.023 0.000 1.182 310 D CA 0.278 54.267 54.000 -0.018 0.000 0.726 310 D CB -0.870 39.911 40.800 -0.033 0.000 0.987 310 D HN 0.484 nan 8.370 nan 0.000 0.412 311 C N 1.034 120.329 119.300 -0.009 0.000 2.536 311 C HA 0.672 5.132 4.460 0.001 0.000 0.396 311 C C 1.158 176.148 174.990 -0.000 0.000 1.279 311 C CA -0.289 58.723 59.018 -0.011 0.000 2.148 311 C CB 0.977 28.719 27.740 0.004 0.000 2.584 311 C HN 0.531 nan 8.230 nan 0.000 0.579 315 V N 3.745 123.657 119.914 -0.004 0.000 2.540 315 V HA 0.655 4.775 4.120 0.001 0.000 0.302 315 V C -0.495 175.433 176.094 -0.278 0.000 1.035 315 V CA -0.567 61.699 62.300 -0.057 0.000 0.873 315 V CB 2.086 33.968 31.823 0.098 0.000 0.992 315 V HN 0.791 nan 8.190 nan 0.000 0.428 316 N N 3.433 121.909 118.700 -0.373 0.000 2.664 316 N HA 0.606 5.346 4.740 0.001 0.000 0.257 316 N C 0.533 175.897 175.510 -0.242 0.000 1.108 316 N CA 0.577 53.156 53.050 -0.786 0.000 0.822 316 N CB 1.672 39.551 38.487 -1.014 0.000 1.199 316 N HN 1.101 nan 8.380 nan 0.000 0.529 317 G N 2.329 111.155 108.800 0.043 0.000 2.596 317 G HA2 -0.392 3.569 3.960 0.001 0.000 0.304 317 G HA3 -0.392 3.569 3.960 0.001 0.000 0.304 317 G C 0.484 175.242 174.900 -0.236 0.000 1.189 317 G CA 0.719 45.841 45.100 0.037 0.000 0.986 317 G HN 0.605 nan 8.290 nan 0.000 0.548 318 D N 1.192 121.362 120.400 -0.383 0.000 2.340 318 D HA 0.140 4.781 4.640 0.001 0.000 0.220 318 D C 0.374 176.506 176.300 -0.279 0.000 1.039 318 D CA 0.824 54.378 54.000 -0.744 0.000 0.866 318 D CB -0.021 40.307 40.800 -0.786 0.000 0.913 318 D HN 0.407 nan 8.370 nan 0.000 0.523 319 D N 0.551 120.863 120.400 -0.148 0.000 2.249 319 D HA 0.347 4.988 4.640 0.001 0.000 0.246 319 D C -1.015 175.259 176.300 -0.043 0.000 1.114 319 D CA -0.587 53.376 54.000 -0.061 0.000 0.854 319 D CB 1.355 42.116 40.800 -0.066 0.000 1.132 319 D HN 0.061 nan 8.370 nan 0.000 0.461 320 L N 4.612 125.850 121.223 0.026 0.000 2.408 320 L HA 0.575 4.915 4.340 0.001 0.000 0.268 320 L C -1.797 175.053 176.870 -0.033 0.000 0.986 320 L CA -0.674 54.184 54.840 0.030 0.000 0.820 320 L CB 2.008 44.152 42.059 0.141 0.000 1.303 320 L HN 0.157 nan 8.230 nan 0.000 0.411 321 V N 5.561 125.410 119.914 -0.109 0.000 2.760 321 V HA 0.785 4.905 4.120 0.001 0.000 0.309 321 V C -1.464 174.444 176.094 -0.310 0.000 1.077 321 V CA -0.346 61.820 62.300 -0.222 0.000 0.910 321 V CB 2.418 34.158 31.823 -0.137 0.000 1.008 321 V HN 0.604 nan 8.190 nan 0.000 0.424 322 V N 7.497 127.045 119.914 -0.609 0.000 2.656 322 V HA 0.605 4.726 4.120 0.001 0.000 0.307 322 V C -0.456 175.411 176.094 -0.377 0.000 1.051 322 V CA -0.486 61.485 62.300 -0.549 0.000 0.893 322 V CB 1.916 33.219 31.823 -0.866 0.000 0.999 322 V HN 0.747 nan 8.190 nan 0.000 0.426 323 I N 4.785 125.252 120.570 -0.172 0.000 2.436 323 I HA 0.716 4.886 4.170 0.001 0.000 0.289 323 I C -0.072 175.988 176.117 -0.095 0.000 1.010 323 I CA -0.305 60.947 61.300 -0.081 0.000 1.098 323 I CB 1.689 39.678 38.000 -0.018 0.000 1.266 323 I HN 0.905 nan 8.210 nan 0.000 0.434 324 C N 2.402 121.645 119.300 -0.095 0.000 3.311 324 C HA 0.575 5.035 4.460 0.001 0.000 0.366 324 C C -0.730 174.191 174.990 -0.115 0.000 1.694 324 C CA -0.897 58.073 59.018 -0.080 0.000 1.244 324 C CB 1.795 29.526 27.740 -0.015 0.000 2.038 324 C HN 0.612 nan 8.230 nan 0.000 0.436 325 E N 1.783 121.935 120.200 -0.079 0.000 2.229 325 E HA 0.340 4.691 4.350 0.001 0.000 0.283 325 E C 0.036 176.613 176.600 -0.037 0.000 1.030 325 E CA 0.448 56.800 56.400 -0.079 0.000 0.836 325 E CB 1.753 31.418 29.700 -0.060 0.000 1.068 325 E HN 0.707 nan 8.360 nan 0.000 0.401 326 S N 1.636 117.322 115.700 -0.024 0.000 2.585 326 S HA 0.305 4.776 4.470 0.001 0.000 0.273 326 S C 0.393 175.005 174.600 0.020 0.000 1.339 326 S CA 0.115 58.342 58.200 0.044 0.000 1.028 326 S CB 0.633 63.901 63.200 0.114 0.000 0.906 326 S HN 0.524 nan 8.310 nan 0.000 0.528 327 A N 2.816 125.655 122.820 0.033 0.000 2.606 327 A HA 0.659 4.980 4.320 0.001 0.000 0.290 327 A C 0.750 178.338 177.584 0.008 0.000 1.174 327 A CA 0.174 52.218 52.037 0.011 0.000 0.958 327 A CB -0.721 18.285 19.000 0.009 0.000 1.194 327 A HN 1.904 nan 8.150 nan 0.000 0.526 328 G N -1.590 107.215 108.800 0.008 0.000 2.784 328 G HA2 0.111 4.071 3.960 0.001 0.000 0.686 328 G HA3 0.111 4.071 3.960 0.001 0.000 0.686 328 G C 0.579 175.483 174.900 0.008 0.000 1.156 328 G CA -0.106 44.982 45.100 -0.019 0.000 0.757 328 G HN 1.100 nan 8.290 nan 0.000 0.642 329 V N 1.634 121.520 119.914 -0.047 0.000 2.252 329 V HA -0.233 3.887 4.120 0.001 0.000 0.249 329 V C 2.726 178.857 176.094 0.062 0.000 1.056 329 V CA 3.174 65.482 62.300 0.014 0.000 1.022 329 V CB -0.349 31.418 31.823 -0.093 0.000 0.641 329 V HN 0.807 nan 8.190 nan 0.000 0.445 330 Q N -0.543 119.269 119.800 0.020 0.000 2.084 330 Q HA -0.245 4.095 4.340 0.001 0.000 0.202 330 Q C 2.218 178.230 176.000 0.020 0.000 0.978 330 Q CA 2.150 57.965 55.803 0.019 0.000 0.844 330 Q CB -0.457 28.283 28.738 0.004 0.000 0.898 330 Q HN 0.767 nan 8.270 nan 0.000 0.426 331 E N 1.187 121.398 120.200 0.017 0.000 2.106 331 E HA -0.146 4.204 4.350 0.001 0.000 0.192 331 E C 1.347 177.957 176.600 0.016 0.000 0.984 331 E CA 1.128 57.536 56.400 0.012 0.000 0.806 331 E CB -0.066 29.639 29.700 0.008 0.000 0.750 331 E HN 0.218 nan 8.360 nan 0.000 0.458 332 D N -0.152 120.272 120.400 0.041 0.000 2.144 332 D HA -0.134 4.507 4.640 0.001 0.000 0.199 332 D C 1.726 178.019 176.300 -0.012 0.000 0.984 332 D CA 1.484 55.504 54.000 0.033 0.000 0.834 332 D CB -0.423 40.450 40.800 0.121 0.000 0.955 332 D HN 0.310 nan 8.370 nan 0.000 0.465 333 A N 1.007 123.836 122.820 0.014 0.000 1.902 333 A HA -0.053 4.267 4.320 0.001 0.000 0.217 333 A C 2.315 179.885 177.584 -0.024 0.000 1.181 333 A CA 2.176 54.209 52.037 -0.007 0.000 0.623 333 A CB -0.648 18.363 19.000 0.017 0.000 0.818 333 A HN 0.240 nan 8.150 nan 0.000 0.443 334 A N -0.560 122.253 122.820 -0.012 0.000 1.898 334 A HA -0.048 4.273 4.320 0.001 0.000 0.216 334 A C 2.425 179.996 177.584 -0.021 0.000 1.181 334 A CA 1.977 54.007 52.037 -0.013 0.000 0.620 334 A CB -0.865 18.132 19.000 -0.005 0.000 0.819 334 A HN 0.451 nan 8.150 nan 0.000 0.442 335 S N -0.002 115.680 115.700 -0.030 0.000 2.383 335 S HA -0.094 4.376 4.470 0.001 0.000 0.229 335 S C 1.785 176.349 174.600 -0.059 0.000 1.030 335 S CA 1.394 59.573 58.200 -0.035 0.000 1.002 335 S CB -0.422 62.754 63.200 -0.041 0.000 0.829 335 S HN 0.507 nan 8.310 nan 0.000 0.467 336 L N 0.733 121.875 121.223 -0.134 0.000 2.093 336 L HA -0.057 4.284 4.340 0.001 0.000 0.208 336 L C 2.646 179.500 176.870 -0.027 0.000 1.085 336 L CA 1.110 55.827 54.840 -0.204 0.000 0.755 336 L CB -0.404 41.461 42.059 -0.325 0.000 0.904 336 L HN 0.242 nan 8.230 nan 0.000 0.435 337 R N -0.006 120.483 120.500 -0.017 0.000 2.096 337 R HA -0.126 4.214 4.340 0.001 0.000 0.235 337 R C 2.428 178.734 176.300 0.011 0.000 1.127 337 R CA 1.345 57.451 56.100 0.009 0.000 0.968 337 R CB -0.453 29.845 30.300 -0.003 0.000 0.861 337 R HN 0.330 nan 8.270 nan 0.000 0.440 338 A N 0.645 123.468 122.820 0.005 0.000 1.898 338 A HA -0.163 4.158 4.320 0.001 0.000 0.216 338 A C 1.956 179.530 177.584 -0.016 0.000 1.181 338 A CA 0.934 52.964 52.037 -0.011 0.000 0.620 338 A CB -0.579 18.419 19.000 -0.004 0.000 0.819 338 A HN 0.363 nan 8.150 nan 0.000 0.442 339 F N 1.419 121.299 119.950 -0.117 0.000 2.102 339 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 339 F C 2.433 178.150 175.800 -0.138 0.000 1.105 339 F CA 2.350 60.271 58.000 -0.132 0.000 1.239 339 F CB -0.584 38.313 39.000 -0.173 0.000 0.991 339 F HN 0.200 nan 8.300 nan 0.000 0.474 340 T N -0.028 114.562 114.554 0.061 0.000 2.788 340 T HA -0.182 4.168 4.350 0.001 0.000 0.268 340 T C 1.700 176.354 174.700 -0.077 0.000 1.044 340 T CA 1.697 63.836 62.100 0.065 0.000 1.139 340 T CB -0.329 68.675 68.868 0.227 0.000 0.867 340 T HN 0.387 nan 8.240 nan 0.000 0.454 341 E N 1.072 121.214 120.200 -0.096 0.000 2.110 341 E HA 0.066 4.417 4.350 0.001 0.000 0.193 341 E C 1.351 177.802 176.600 -0.248 0.000 0.988 341 E CA 0.572 56.895 56.400 -0.129 0.000 0.804 341 E CB -0.104 29.539 29.700 -0.096 0.000 0.745 341 E HN 0.502 nan 8.360 nan 0.000 0.458 345 R N 0.601 120.963 120.500 -0.229 0.000 2.120 345 R HA 0.015 4.356 4.340 0.001 0.000 0.234 345 R C 1.195 177.426 176.300 -0.115 0.000 1.123 345 R CA 1.334 57.300 56.100 -0.223 0.000 0.975 345 R CB -0.243 29.846 30.300 -0.351 0.000 0.866 345 R HN 0.389 nan 8.270 nan 0.000 0.446 346 Y N -0.027 120.206 120.300 -0.110 0.000 2.529 346 Y HA 0.120 4.671 4.550 0.002 0.000 0.290 346 Y C 0.801 176.643 175.900 -0.097 0.000 1.177 346 Y CA -0.443 57.582 58.100 -0.125 0.000 1.305 346 Y CB -0.093 38.319 38.460 -0.079 0.000 1.047 346 Y HN -0.054 nan 8.280 nan 0.000 0.522 347 S N -0.053 115.680 115.700 0.054 0.000 3.978 347 S HA -0.063 4.407 4.470 0.001 0.000 0.402 347 S C -0.073 174.547 174.600 0.033 0.000 0.927 347 S CA 0.467 58.684 58.200 0.027 0.000 1.197 347 S CB -1.422 61.780 63.200 0.003 0.000 0.855 347 S HN 0.730 nan 8.310 nan 0.000 0.524 348 A N 1.932 124.792 122.820 0.067 0.000 3.448 348 A HA 0.544 4.865 4.320 0.001 0.000 0.232 348 A C -2.169 175.549 177.584 0.224 0.000 1.018 348 A CA -0.488 51.629 52.037 0.134 0.000 0.996 348 A CB 0.768 19.884 19.000 0.193 0.000 1.283 348 A HN 0.466 nan 8.150 nan 0.000 0.586 349 P HA 0.264 nan 4.420 nan 0.000 0.269 349 P C -2.877 174.498 177.300 0.125 0.000 1.215 349 P CA -0.672 62.493 63.100 0.108 0.000 0.780 349 P CB 0.625 32.315 31.700 -0.015 0.000 0.898 350 P HA 0.135 nan 4.420 nan 0.000 0.279 350 P C 0.580 177.829 177.300 -0.085 0.000 1.252 350 P CA -0.077 62.948 63.100 -0.127 0.000 0.811 350 P CB 1.145 32.743 31.700 -0.169 0.000 1.035 351 G N 1.442 110.179 108.800 -0.106 0.000 2.610 351 G HA2 0.027 3.988 3.960 0.001 0.000 0.215 351 G HA3 0.027 3.988 3.960 0.001 0.000 0.215 351 G C -0.137 174.728 174.900 -0.058 0.000 1.243 351 G CA 0.125 45.193 45.100 -0.054 0.000 0.847 351 G HN 0.491 nan 8.290 nan 0.000 0.560 352 D N 2.317 122.675 120.400 -0.070 0.000 2.198 352 D HA 0.319 4.960 4.640 0.001 0.000 0.245 352 D C -2.323 173.938 176.300 -0.065 0.000 1.079 352 D CA -1.114 52.857 54.000 -0.049 0.000 0.854 352 D CB 1.729 42.508 40.800 -0.033 0.000 1.148 352 D HN 0.117 nan 8.370 nan 0.000 0.456 353 P HA 0.113 nan 4.420 nan 0.000 0.268 353 P C -2.330 174.977 177.300 0.012 0.000 1.204 353 P CA -0.920 62.177 63.100 -0.004 0.000 0.768 353 P CB -0.095 31.611 31.700 0.010 0.000 0.842 354 P HA 0.098 nan 4.420 nan 0.000 0.271 354 P C -0.767 176.548 177.300 0.024 0.000 1.218 354 P CA 0.112 63.267 63.100 0.093 0.000 0.780 354 P CB 0.686 32.518 31.700 0.220 0.000 0.901 355 Q N 2.711 122.536 119.800 0.042 0.000 2.347 355 Q HA 0.605 4.945 4.340 0.001 0.000 0.271 355 Q C -2.777 173.229 176.000 0.010 0.000 1.064 355 Q CA -2.366 53.443 55.803 0.010 0.000 0.800 355 Q CB 2.146 30.897 28.738 0.022 0.000 1.304 355 Q HN 0.269 nan 8.270 nan 0.000 0.438 356 P HA 0.110 nan 4.420 nan 0.000 0.271 356 P C -0.895 176.253 177.300 -0.252 0.000 1.216 356 P CA 0.098 63.114 63.100 -0.141 0.000 0.771 356 P CB 1.024 32.632 31.700 -0.152 0.000 0.864 357 E N 2.165 122.165 120.200 -0.332 0.000 2.238 357 E HA 0.232 4.582 4.350 0.001 0.000 0.267 357 E C -0.583 175.787 176.600 -0.385 0.000 0.887 357 E CA -0.492 55.757 56.400 -0.251 0.000 0.769 357 E CB 1.485 31.145 29.700 -0.067 0.000 1.187 357 E HN 0.452 nan 8.360 nan 0.000 0.416 358 Y N -0.162 120.276 120.300 0.230 0.000 2.612 358 Y HA 0.194 4.744 4.550 0.000 0.000 0.250 358 Y C 0.155 176.291 175.900 0.393 0.000 1.175 358 Y CA -0.466 57.836 58.100 0.338 0.000 1.205 358 Y CB 0.988 39.554 38.460 0.176 0.000 1.201 358 Y HN 0.234 nan 8.280 nan 0.000 0.532 359 D N 0.423 120.958 120.400 0.226 0.000 2.542 359 D HA 0.117 4.757 4.640 0.001 0.000 0.252 359 D C 0.626 176.687 176.300 -0.399 0.000 1.222 359 D CA -0.374 53.619 54.000 -0.012 0.000 0.895 359 D CB 1.625 42.436 40.800 0.018 0.000 1.207 359 D HN 0.114 nan 8.370 nan 0.000 0.558 360 L N 4.238 124.880 121.223 -0.968 0.000 2.081 360 L HA -0.112 4.229 4.340 0.001 0.000 0.212 360 L C 1.570 178.112 176.870 -0.548 0.000 1.080 360 L CA 2.003 56.148 54.840 -1.159 0.000 0.754 360 L CB -0.279 40.891 42.059 -1.481 0.000 0.893 360 L HN 0.526 nan 8.230 nan 0.000 0.433 361 E N -0.825 119.155 120.200 -0.367 0.000 2.409 361 E HA -0.137 4.213 4.350 0.001 0.000 0.198 361 E C 1.828 178.335 176.600 -0.155 0.000 1.024 361 E CA 0.677 56.949 56.400 -0.213 0.000 0.861 361 E CB -0.137 29.484 29.700 -0.130 0.000 0.788 361 E HN 0.543 nan 8.360 nan 0.000 0.521 362 L N 0.851 121.980 121.223 -0.156 0.000 2.607 362 L HA 0.215 4.555 4.340 0.001 0.000 0.228 362 L C 0.484 177.298 176.870 -0.093 0.000 1.123 362 L CA -0.129 54.655 54.840 -0.094 0.000 0.890 362 L CB 0.275 42.303 42.059 -0.053 0.000 1.103 362 L HN 0.026 nan 8.230 nan 0.000 0.468 363 I N 0.067 120.554 120.570 -0.138 0.000 2.315 363 I HA 0.142 4.313 4.170 0.001 0.000 0.291 363 I C -0.029 176.037 176.117 -0.087 0.000 1.006 363 I CA 0.026 61.261 61.300 -0.109 0.000 1.265 363 I CB 1.561 39.473 38.000 -0.146 0.000 1.387 363 I HN -0.090 nan 8.210 nan 0.000 0.475 364 T N 4.944 119.468 114.554 -0.050 0.000 2.749 364 T HA 0.424 4.774 4.350 0.001 0.000 0.287 364 T C -0.161 174.525 174.700 -0.023 0.000 0.970 364 T CA -0.587 61.494 62.100 -0.032 0.000 0.980 364 T CB 0.876 69.733 68.868 -0.018 0.000 0.924 364 T HN 0.713 nan 8.240 nan 0.000 0.456 365 S N 0.961 116.649 115.700 -0.020 0.000 2.548 365 S HA 0.432 4.903 4.470 0.001 0.000 0.276 365 S C 0.136 174.740 174.600 0.006 0.000 1.129 365 S CA -0.778 57.411 58.200 -0.018 0.000 0.931 365 S CB 0.677 63.850 63.200 -0.045 0.000 1.068 365 S HN 0.891 nan 8.310 nan 0.000 0.480 366 C N 2.248 121.555 119.300 0.012 0.000 4.365 366 C HA -0.167 4.294 4.460 0.001 0.000 0.299 366 C C 1.433 176.481 174.990 0.098 0.000 1.409 366 C CA 0.727 59.773 59.018 0.046 0.000 2.007 366 C CB -3.236 24.521 27.740 0.029 0.000 1.264 366 C HN 1.654 nan 8.230 nan 0.000 0.777 367 S N -1.663 114.080 115.700 0.072 0.000 3.257 367 S HA -0.210 4.260 4.470 0.001 0.000 0.300 367 S C 0.388 175.033 174.600 0.075 0.000 1.275 367 S CA 1.409 59.650 58.200 0.069 0.000 1.023 367 S CB -0.712 62.543 63.200 0.090 0.000 1.180 367 S HN 1.015 nan 8.310 nan 0.000 0.660 368 S N 1.646 117.401 115.700 0.091 0.000 2.671 368 S HA 0.790 5.260 4.470 0.001 0.000 0.299 368 S C -0.354 174.266 174.600 0.033 0.000 1.116 368 S CA -0.846 57.420 58.200 0.111 0.000 0.912 368 S CB 1.761 65.096 63.200 0.225 0.000 1.130 368 S HN 0.607 nan 8.310 nan 0.000 0.501 369 N N -0.850 117.859 118.700 0.015 0.000 2.494 369 N HA 0.387 5.127 4.740 0.001 0.000 0.270 369 N C -1.669 173.780 175.510 -0.102 0.000 1.285 369 N CA -0.550 52.466 53.050 -0.058 0.000 0.812 369 N CB 1.099 39.544 38.487 -0.069 0.000 1.557 369 N HN 0.335 nan 8.380 nan 0.000 0.487 370 V N 0.549 120.369 119.914 -0.156 0.000 2.649 370 V HA 0.454 4.575 4.120 0.001 0.000 0.292 370 V C 0.410 176.373 176.094 -0.219 0.000 1.055 370 V CA 0.083 62.266 62.300 -0.196 0.000 1.023 370 V CB 1.057 32.752 31.823 -0.214 0.000 0.992 370 V HN 0.857 nan 8.190 nan 0.000 0.480 371 S N 2.649 118.141 115.700 -0.348 0.000 2.685 371 S HA 0.771 5.242 4.470 0.001 0.000 0.282 371 S C -1.386 173.094 174.600 -0.199 0.000 1.159 371 S CA -0.441 57.584 58.200 -0.291 0.000 0.833 371 S CB 2.047 65.040 63.200 -0.345 0.000 1.151 371 S HN 0.677 nan 8.310 nan 0.000 0.485 372 V N 1.276 121.186 119.914 -0.005 0.000 2.735 372 V HA 0.992 5.112 4.120 0.001 0.000 0.310 372 V C -0.187 175.897 176.094 -0.017 0.000 1.061 372 V CA 0.298 62.557 62.300 -0.070 0.000 0.913 372 V CB 1.189 32.834 31.823 -0.296 0.000 1.005 372 V HN 1.293 nan 8.190 nan 0.000 0.428 373 A N 4.833 127.498 122.820 -0.258 0.000 2.566 373 A HA 0.895 5.216 4.320 0.001 0.000 0.291 373 A C -1.191 175.916 177.584 -0.795 0.000 1.278 373 A CA -0.575 51.144 52.037 -0.531 0.000 0.711 373 A CB 1.700 20.195 19.000 -0.842 0.000 1.332 373 A HN 0.936 nan 8.150 nan 0.000 0.478 374 H N 0.259 118.977 119.070 -0.587 0.000 2.806 374 H HA 0.363 4.919 4.556 0.001 0.000 0.367 374 H C -1.181 173.781 175.328 -0.610 0.000 1.136 374 H CA -0.434 55.281 56.048 -0.555 0.000 1.178 374 H CB 1.895 31.304 29.762 -0.590 0.000 1.718 374 H HN 0.908 nan 8.280 nan 0.000 0.540 375 D N 0.916 121.190 120.400 -0.209 0.000 2.478 375 D HA 0.191 4.831 4.640 0.001 0.000 0.274 375 D C 1.385 177.740 176.300 0.092 0.000 1.234 375 D CA -0.322 53.627 54.000 -0.085 0.000 1.069 375 D CB 0.225 40.995 40.800 -0.051 0.000 1.113 375 D HN 0.443 nan 8.370 nan 0.000 0.571 376 A N -0.270 122.625 122.820 0.124 0.000 1.917 376 A HA -0.172 4.149 4.320 0.001 0.000 0.219 376 A C 2.130 179.788 177.584 0.123 0.000 1.182 376 A CA 2.165 54.289 52.037 0.145 0.000 0.633 376 A CB -1.064 17.985 19.000 0.081 0.000 0.819 376 A HN 0.488 nan 8.150 nan 0.000 0.448 377 S N -1.864 113.884 115.700 0.080 0.000 2.522 377 S HA 0.309 4.779 4.470 0.001 0.000 0.227 377 S C 1.548 176.187 174.600 0.065 0.000 0.986 377 S CA 1.063 59.297 58.200 0.057 0.000 0.929 377 S CB -0.024 63.197 63.200 0.035 0.000 0.769 377 S HN 1.681 nan 8.310 nan 0.000 0.529 378 G N 1.634 110.492 108.800 0.097 0.000 2.195 378 G HA2 -0.288 3.673 3.960 0.001 0.000 0.246 378 G HA3 -0.288 3.673 3.960 0.001 0.000 0.246 378 G C 0.117 175.088 174.900 0.120 0.000 0.984 378 G CA 0.182 45.328 45.100 0.076 0.000 0.633 378 G HN 0.520 nan 8.290 nan 0.000 0.525 379 K N 1.176 121.616 120.400 0.067 0.000 2.448 379 K HA 0.354 4.675 4.320 0.001 0.000 0.278 379 K C 0.817 177.396 176.600 -0.035 0.000 1.009 379 K CA -0.452 55.855 56.287 0.032 0.000 0.995 379 K CB 0.244 32.740 32.500 -0.006 0.000 0.917 379 K HN 0.331 nan 8.250 nan 0.000 0.481 380 R N 1.926 122.356 120.500 -0.116 0.000 2.537 380 R HA 0.137 4.478 4.340 0.001 0.000 0.280 380 R C -0.651 175.401 176.300 -0.414 0.000 1.058 380 R CA -0.206 55.640 56.100 -0.424 0.000 1.057 380 R CB 1.107 31.174 30.300 -0.389 0.000 0.973 380 R HN 0.388 nan 8.270 nan 0.000 0.438 381 V N 4.975 124.579 119.914 -0.518 0.000 2.623 381 V HA 0.350 4.470 4.120 0.001 0.000 0.304 381 V C -1.531 174.363 176.094 -0.334 0.000 1.054 381 V CA -0.756 61.337 62.300 -0.345 0.000 0.882 381 V CB 1.359 33.059 31.823 -0.205 0.000 1.002 381 V HN 0.607 nan 8.190 nan 0.000 0.424 382 Y N 7.457 127.747 120.300 -0.018 0.000 2.299 382 Y HA 0.703 5.254 4.550 0.001 0.000 0.326 382 Y C 0.086 176.036 175.900 0.084 0.000 1.164 382 Y CA 0.114 58.209 58.100 -0.008 0.000 1.234 382 Y CB 1.276 39.690 38.460 -0.076 0.000 1.219 382 Y HN 0.822 nan 8.280 nan 0.000 0.497 383 Y N 0.382 120.732 120.300 0.084 0.000 2.655 383 Y HA 0.685 5.235 4.550 0.001 0.000 0.336 383 Y C -2.224 173.727 175.900 0.085 0.000 1.154 383 Y CA -2.069 56.064 58.100 0.056 0.000 1.055 383 Y CB 0.679 39.148 38.460 0.016 0.000 1.295 383 Y HN 0.450 nan 8.280 nan 0.000 0.465 384 L N 2.062 123.311 121.223 0.042 0.000 2.289 384 L HA 0.763 5.104 4.340 0.001 0.000 0.285 384 L C -0.006 177.010 176.870 0.245 0.000 1.049 384 L CA 0.413 55.278 54.840 0.041 0.000 0.804 384 L CB 1.393 43.511 42.059 0.099 0.000 1.195 384 L HN 1.041 nan 8.230 nan 0.000 0.428 385 T N 4.325 118.995 114.554 0.193 0.000 2.716 385 T HA 0.870 5.220 4.350 0.001 0.000 0.286 385 T C -1.269 173.565 174.700 0.224 0.000 1.052 385 T CA -0.592 61.722 62.100 0.357 0.000 1.024 385 T CB 1.152 70.197 68.868 0.295 0.000 1.349 385 T HN 0.850 nan 8.240 nan 0.000 0.525 386 R N 0.466 121.035 120.500 0.115 0.000 2.728 386 R HA 0.441 4.781 4.340 0.001 0.000 0.274 386 R C -1.615 174.517 176.300 -0.279 0.000 1.030 386 R CA -0.990 55.051 56.100 -0.099 0.000 0.876 386 R CB 0.392 30.560 30.300 -0.220 0.000 1.259 386 R HN 0.533 nan 8.270 nan 0.000 0.468 387 D N 2.095 122.333 120.400 -0.269 0.000 2.450 387 D HA 0.053 4.694 4.640 0.001 0.000 0.247 387 D C -1.352 174.598 176.300 -0.584 0.000 1.162 387 D CA -1.328 52.472 54.000 -0.332 0.000 0.879 387 D CB 1.312 41.996 40.800 -0.194 0.000 1.163 387 D HN 0.377 nan 8.370 nan 0.000 0.472 388 P HA -0.009 nan 4.420 nan 0.000 0.249 388 P C 1.126 178.116 177.300 -0.517 0.000 1.229 388 P CA 0.148 62.626 63.100 -1.037 0.000 0.788 388 P CB 0.316 31.289 31.700 -1.211 0.000 1.072 389 T N 0.110 114.470 114.554 -0.324 0.000 2.635 389 T HA -0.140 4.210 4.350 0.001 0.000 0.267 389 T C 1.768 176.392 174.700 -0.128 0.000 1.040 389 T CA 2.487 64.485 62.100 -0.169 0.000 1.156 389 T CB -1.121 67.691 68.868 -0.094 0.000 0.863 389 T HN 0.218 nan 8.240 nan 0.000 0.430 390 T N 2.025 116.501 114.554 -0.130 0.000 2.777 390 T HA -0.038 4.313 4.350 0.001 0.000 0.266 390 T C -0.560 174.072 174.700 -0.113 0.000 1.040 390 T CA 1.058 63.099 62.100 -0.098 0.000 1.141 390 T CB -1.158 67.674 68.868 -0.061 0.000 0.868 390 T HN 0.340 nan 8.240 nan 0.000 0.444 391 P HA 0.055 nan 4.420 nan 0.000 0.218 391 P C 1.398 178.700 177.300 0.004 0.000 1.149 391 P CA 0.813 63.874 63.100 -0.064 0.000 0.817 391 P CB -0.135 31.479 31.700 -0.143 0.000 0.785 392 L N -1.518 119.668 121.223 -0.062 0.000 2.131 392 L HA -0.047 4.293 4.340 0.001 0.000 0.206 392 L C 2.420 179.314 176.870 0.040 0.000 1.087 392 L CA 1.126 55.962 54.840 -0.006 0.000 0.767 392 L CB -1.060 40.959 42.059 -0.066 0.000 0.917 392 L HN -0.063 nan 8.230 nan 0.000 0.441 393 A N 0.527 123.357 122.820 0.016 0.000 1.902 393 A HA -0.206 4.115 4.320 0.001 0.000 0.217 393 A C 2.387 180.030 177.584 0.098 0.000 1.181 393 A CA 1.505 53.574 52.037 0.053 0.000 0.623 393 A CB -0.424 18.580 19.000 0.007 0.000 0.818 393 A HN 0.324 nan 8.150 nan 0.000 0.443 394 R N -0.591 119.940 120.500 0.052 0.000 2.092 394 R HA 0.003 4.344 4.340 0.001 0.000 0.231 394 R C 2.468 178.917 176.300 0.249 0.000 1.119 394 R CA 1.044 57.200 56.100 0.092 0.000 0.970 394 R CB -0.454 29.840 30.300 -0.011 0.000 0.864 394 R HN 0.500 nan 8.270 nan 0.000 0.440 395 A N 1.531 124.515 122.820 0.273 0.000 1.933 395 A HA -0.132 4.189 4.320 0.001 0.000 0.218 395 A C 2.397 180.227 177.584 0.409 0.000 1.175 395 A CA 1.703 54.020 52.037 0.465 0.000 0.628 395 A CB -0.623 18.662 19.000 0.475 0.000 0.814 395 A HN 0.388 nan 8.150 nan 0.000 0.444 396 A N -1.369 121.596 122.820 0.242 0.000 1.902 396 A HA -0.199 4.122 4.320 0.001 0.000 0.217 396 A C 2.104 179.801 177.584 0.188 0.000 1.181 396 A CA 1.440 53.577 52.037 0.166 0.000 0.623 396 A CB -0.836 18.244 19.000 0.134 0.000 0.818 396 A HN 0.838 nan 8.150 nan 0.000 0.443 397 W N 0.922 122.273 121.300 0.085 0.000 2.379 397 W HA -0.127 4.534 4.660 0.001 0.000 0.307 397 W C 1.702 178.279 176.519 0.096 0.000 1.200 397 W CA 1.866 59.247 57.345 0.061 0.000 1.297 397 W CB -0.345 29.132 29.460 0.028 0.000 1.140 397 W HN 0.551 nan 8.180 nan 0.000 0.507 398 E N -0.746 119.731 120.200 0.461 0.000 2.338 398 E HA -0.140 4.211 4.350 0.001 0.000 0.197 398 E C 1.957 178.769 176.600 0.353 0.000 1.007 398 E CA 1.499 58.154 56.400 0.426 0.000 0.849 398 E CB -0.166 29.831 29.700 0.495 0.000 0.774 398 E HN 0.067 nan 8.360 nan 0.000 0.506 399 T N 0.129 114.864 114.554 0.301 0.000 2.867 399 T HA -0.066 4.285 4.350 0.001 0.000 0.268 399 T C 1.659 176.362 174.700 0.005 0.000 1.057 399 T CA 1.252 63.452 62.100 0.166 0.000 1.136 399 T CB 0.072 69.038 68.868 0.164 0.000 0.874 399 T HN 0.218 nan 8.240 nan 0.000 0.466 400 A N 0.084 122.862 122.820 -0.069 0.000 2.431 400 A HA 0.378 4.698 4.320 0.001 0.000 0.239 400 A C 0.753 178.205 177.584 -0.219 0.000 1.230 400 A CA -0.182 51.753 52.037 -0.171 0.000 0.928 400 A CB 0.528 19.390 19.000 -0.231 0.000 1.006 400 A HN 0.083 nan 8.150 nan 0.000 0.520 401 R N 0.030 120.431 120.500 -0.165 0.000 2.604 401 R HA 0.338 4.678 4.340 0.001 0.000 0.281 401 R C -1.707 174.593 176.300 -0.001 0.000 1.020 401 R CA -0.497 55.536 56.100 -0.111 0.000 0.899 401 R CB 0.902 31.194 30.300 -0.013 0.000 1.205 401 R HN 0.505 nan 8.270 nan 0.000 0.450 402 H N 0.744 119.892 119.070 0.131 0.000 2.690 402 H HA 0.221 4.778 4.556 0.001 0.000 0.314 402 H C 0.463 175.873 175.328 0.137 0.000 1.069 402 H CA 0.331 56.461 56.048 0.135 0.000 1.436 402 H CB 1.019 30.834 29.762 0.088 0.000 1.462 402 H HN 0.524 nan 8.280 nan 0.000 0.511 403 T N 0.228 114.933 114.554 0.253 0.000 2.932 403 T HA 0.233 4.583 4.350 0.001 0.000 0.289 403 T C -1.669 173.076 174.700 0.076 0.000 1.039 403 T CA -2.129 60.063 62.100 0.153 0.000 1.024 403 T CB 1.673 70.623 68.868 0.137 0.000 1.090 403 T HN 0.276 nan 8.240 nan 0.000 0.496 404 P HA 0.115 nan 4.420 nan 0.000 0.218 404 P C -0.224 177.069 177.300 -0.011 0.000 1.149 404 P CA 0.389 63.475 63.100 -0.023 0.000 0.817 404 P CB 0.174 31.846 31.700 -0.046 0.000 0.785 405 V N 1.020 120.923 119.914 -0.018 0.000 2.483 405 V HA 0.210 4.330 4.120 0.001 0.000 0.297 405 V C -0.389 175.667 176.094 -0.063 0.000 1.027 405 V CA -0.870 61.403 62.300 -0.045 0.000 0.855 405 V CB 1.754 33.546 31.823 -0.052 0.000 0.995 405 V HN -0.020 nan 8.190 nan 0.000 0.424 406 N N 3.178 121.794 118.700 -0.140 0.000 2.482 406 N HA 0.060 4.800 4.740 0.001 0.000 0.242 406 N C 1.334 176.625 175.510 -0.364 0.000 1.100 406 N CA 0.207 53.093 53.050 -0.273 0.000 0.946 406 N CB 1.640 39.812 38.487 -0.524 0.000 1.227 406 N HN 0.828 nan 8.380 nan 0.000 0.508 407 S N 2.289 117.891 115.700 -0.163 0.000 2.402 407 S HA -0.108 4.362 4.470 0.001 0.000 0.229 407 S C 1.838 176.393 174.600 -0.075 0.000 1.021 407 S CA 0.141 58.285 58.200 -0.093 0.000 0.974 407 S CB -0.381 62.812 63.200 -0.012 0.000 0.800 407 S HN 0.795 nan 8.310 nan 0.000 0.484 408 W N 1.424 122.634 121.300 -0.150 0.000 2.363 408 W HA -0.036 4.624 4.660 0.000 0.000 0.296 408 W C 1.705 178.148 176.519 -0.127 0.000 1.212 408 W CA 0.549 57.764 57.345 -0.216 0.000 1.260 408 W CB -1.052 27.909 29.460 -0.832 0.000 1.131 408 W HN 0.378 nan 8.180 nan 0.000 0.530 409 L N 2.873 123.498 121.223 -0.996 0.000 2.072 409 L HA 0.185 4.525 4.340 0.001 0.000 0.205 409 L C 2.602 179.292 176.870 -0.301 0.000 1.079 409 L CA 2.752 57.072 54.840 -0.866 0.000 0.752 409 L CB -1.329 39.931 42.059 -1.331 0.000 0.906 409 L HN 0.031 nan 8.230 nan 0.000 0.436 410 G N -0.745 107.904 108.800 -0.251 0.000 2.408 410 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 410 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 410 G C 1.434 176.355 174.900 0.035 0.000 1.150 410 G CA 0.663 45.700 45.100 -0.105 0.000 0.776 410 G HN 0.430 nan 8.290 nan 0.000 0.542 411 N N 0.563 119.338 118.700 0.126 0.000 2.216 411 N HA 0.009 4.750 4.740 0.001 0.000 0.183 411 N C 2.228 177.891 175.510 0.256 0.000 1.017 411 N CA 0.526 53.775 53.050 0.331 0.000 0.861 411 N CB -0.125 38.623 38.487 0.436 0.000 0.986 411 N HN 0.321 nan 8.380 nan 0.000 0.428 412 I N 1.040 121.721 120.570 0.185 0.000 2.226 412 I HA -0.161 4.010 4.170 0.001 0.000 0.245 412 I C 1.121 177.290 176.117 0.087 0.000 1.100 412 I CA 0.506 61.893 61.300 0.145 0.000 1.374 412 I CB -0.127 38.030 38.000 0.262 0.000 1.057 412 I HN -0.000 nan 8.210 nan 0.000 0.413 416 A N 0.693 123.310 122.820 -0.339 0.000 1.927 416 A HA -0.165 4.156 4.320 0.001 0.000 0.220 416 A C -0.608 176.697 177.584 -0.464 0.000 1.185 416 A CA 2.192 53.975 52.037 -0.422 0.000 0.639 416 A CB -1.297 17.397 19.000 -0.509 0.000 0.820 416 A HN 0.305 nan 8.150 nan 0.000 0.451 417 P HA 0.008 nan 4.420 nan 0.000 0.233 417 P C 0.637 177.714 177.300 -0.371 0.000 1.167 417 P CA 1.245 64.109 63.100 -0.393 0.000 0.770 417 P CB -0.307 31.220 31.700 -0.287 0.000 0.837 418 T N -2.679 111.648 114.554 -0.379 0.000 2.898 418 T HA 0.106 4.456 4.350 0.001 0.000 0.301 418 T C 1.117 175.414 174.700 -0.671 0.000 1.049 418 T CA -0.649 61.163 62.100 -0.479 0.000 1.095 418 T CB 0.608 68.986 68.868 -0.816 0.000 0.976 418 T HN -0.187 nan 8.240 nan 0.000 0.539 419 L N 2.318 123.059 121.223 -0.804 0.000 2.012 419 L HA 0.007 4.347 4.340 0.001 0.000 0.210 419 L C 2.415 178.969 176.870 -0.526 0.000 1.073 419 L CA 1.763 56.078 54.840 -0.874 0.000 0.748 419 L CB -1.053 40.398 42.059 -1.015 0.000 0.891 419 L HN 0.934 nan 8.230 nan 0.000 0.431 420 W N -0.627 120.469 121.300 -0.341 0.000 2.388 420 W HA 0.016 4.676 4.660 0.001 0.000 0.294 420 W C 1.967 178.352 176.519 -0.224 0.000 1.212 420 W CA 0.863 58.045 57.345 -0.270 0.000 1.271 420 W CB -1.364 27.970 29.460 -0.209 0.000 1.126 420 W HN 0.326 nan 8.180 nan 0.000 0.535 421 A N 1.623 124.016 122.820 -0.712 0.000 1.929 421 A HA -0.021 4.299 4.320 0.001 0.000 0.216 421 A C 1.683 179.109 177.584 -0.263 0.000 1.176 421 A CA 0.593 52.348 52.037 -0.471 0.000 0.628 421 A CB -0.664 17.888 19.000 -0.747 0.000 0.816 421 A HN 0.246 nan 8.150 nan 0.000 0.444 428 H N 0.852 120.095 119.070 0.289 0.000 2.290 428 H HA 0.078 4.634 4.556 0.001 0.000 0.298 428 H C 1.708 176.892 175.328 -0.241 0.000 1.087 428 H CA 2.219 58.290 56.048 0.038 0.000 1.291 428 H CB -0.342 29.307 29.762 -0.188 0.000 1.369 428 H HN 0.341 nan 8.280 nan 0.000 0.492 429 F N -1.207 118.715 119.950 -0.046 0.000 2.259 429 F HA -0.025 4.503 4.527 0.001 0.000 0.298 429 F C 1.963 177.591 175.800 -0.287 0.000 1.088 429 F CA 0.541 58.277 58.000 -0.441 0.000 1.358 429 F CB -0.459 37.852 39.000 -1.149 0.000 1.040 429 F HN 0.147 nan 8.300 nan 0.000 0.505 430 F N -0.601 119.431 119.950 0.135 0.000 2.293 430 F HA -0.160 4.368 4.527 0.001 0.000 0.300 430 F C 2.676 178.504 175.800 0.047 0.000 1.086 430 F CA 1.308 59.408 58.000 0.167 0.000 1.375 430 F CB -0.805 38.398 39.000 0.339 0.000 1.045 430 F HN -0.101 nan 8.300 nan 0.000 0.516 431 S N 0.399 116.166 115.700 0.112 0.000 2.356 431 S HA -0.170 4.300 4.470 0.001 0.000 0.223 431 S C 2.158 176.710 174.600 -0.080 0.000 1.032 431 S CA 1.424 59.621 58.200 -0.004 0.000 1.005 431 S CB -0.416 62.758 63.200 -0.043 0.000 0.867 431 S HN 0.321 nan 8.310 nan 0.000 0.449 432 I N 1.266 121.720 120.570 -0.193 0.000 2.226 432 I HA -0.169 4.002 4.170 0.001 0.000 0.245 432 I C 2.196 178.268 176.117 -0.074 0.000 1.100 432 I CA 1.052 62.244 61.300 -0.179 0.000 1.374 432 I CB -0.343 37.487 38.000 -0.284 0.000 1.057 432 I HN 0.307 nan 8.210 nan 0.000 0.413 433 L N 0.059 121.241 121.223 -0.069 0.000 2.083 433 L HA -0.226 4.114 4.340 0.001 0.000 0.209 433 L C 2.536 179.417 176.870 0.019 0.000 1.083 433 L CA 1.240 56.066 54.840 -0.024 0.000 0.752 433 L CB -0.476 41.524 42.059 -0.099 0.000 0.899 433 L HN 0.285 nan 8.230 nan 0.000 0.433 434 L N -0.358 120.887 121.223 0.037 0.000 2.017 434 L HA -0.208 4.132 4.340 0.001 0.000 0.208 434 L C 2.867 179.753 176.870 0.027 0.000 1.073 434 L CA 1.300 56.172 54.840 0.055 0.000 0.745 434 L CB -0.613 41.484 42.059 0.062 0.000 0.894 434 L HN 0.242 nan 8.230 nan 0.000 0.432 435 A N -0.997 121.826 122.820 0.005 0.000 1.978 435 A HA -0.204 4.116 4.320 0.001 0.000 0.220 435 A C 2.031 179.620 177.584 0.008 0.000 1.170 435 A CA 1.418 53.453 52.037 -0.003 0.000 0.636 435 A CB -0.223 18.763 19.000 -0.023 0.000 0.810 435 A HN 0.478 nan 8.150 nan 0.000 0.448 436 Q N -1.130 118.680 119.800 0.017 0.000 2.282 436 Q HA 0.118 4.459 4.340 0.001 0.000 0.206 436 Q C -0.527 175.494 176.000 0.035 0.000 0.878 436 Q CA 0.352 56.172 55.803 0.029 0.000 0.944 436 Q CB 0.226 28.990 28.738 0.044 0.000 1.100 436 Q HN 0.783 nan 8.270 nan 0.000 0.509 437 E N 0.851 121.072 120.200 0.036 0.000 2.320 437 E HA -0.229 4.121 4.350 0.001 0.000 0.234 437 E C -0.443 176.186 176.600 0.048 0.000 1.183 437 E CA 0.274 56.700 56.400 0.043 0.000 0.713 437 E CB -1.145 28.577 29.700 0.037 0.000 1.226 437 E HN 0.413 nan 8.360 nan 0.000 0.382 438 Q N -0.107 119.725 119.800 0.052 0.000 2.211 438 Q HA 0.149 4.489 4.340 0.001 0.000 0.301 438 Q C 1.050 177.088 176.000 0.064 0.000 0.884 438 Q CA -0.456 55.382 55.803 0.059 0.000 1.115 438 Q CB 0.485 29.262 28.738 0.066 0.000 1.217 438 Q HN 0.178 nan 8.270 nan 0.000 0.451 439 L N 0.760 122.025 121.223 0.071 0.000 2.093 439 L HA -0.144 4.196 4.340 0.001 0.000 0.208 439 L C 1.301 178.230 176.870 0.098 0.000 1.085 439 L CA 1.921 56.814 54.840 0.089 0.000 0.755 439 L CB 0.078 42.220 42.059 0.139 0.000 0.904 439 L HN 0.297 nan 8.230 nan 0.000 0.435 440 E N -1.211 119.040 120.200 0.085 0.000 2.465 440 E HA 0.022 4.373 4.350 0.001 0.000 0.191 440 E C 0.564 177.205 176.600 0.068 0.000 1.053 440 E CA 0.021 56.467 56.400 0.077 0.000 0.869 440 E CB -0.278 29.462 29.700 0.066 0.000 0.977 440 E HN 0.137 nan 8.360 nan 0.000 0.483 441 K N 1.981 122.422 120.400 0.069 0.000 2.284 441 K HA 0.413 4.734 4.320 0.001 0.000 0.287 441 K C -0.407 176.233 176.600 0.067 0.000 1.081 441 K CA -0.402 55.922 56.287 0.062 0.000 0.910 441 K CB 0.495 33.030 32.500 0.058 0.000 1.088 441 K HN 0.135 nan 8.250 nan 0.000 0.478 442 A N 5.439 128.296 122.820 0.062 0.000 2.511 442 A HA 0.262 4.582 4.320 0.001 0.000 0.242 442 A C -0.413 177.204 177.584 0.055 0.000 1.069 442 A CA -0.043 52.031 52.037 0.062 0.000 0.763 442 A CB 0.090 19.132 19.000 0.069 0.000 1.001 442 A HN 0.781 nan 8.150 nan 0.000 0.498 443 L N 1.937 123.181 121.223 0.035 0.000 2.341 443 L HA 0.405 4.746 4.340 0.001 0.000 0.267 443 L C -0.687 176.177 176.870 -0.010 0.000 1.009 443 L CA -1.062 53.783 54.840 0.009 0.000 0.819 443 L CB 2.006 44.045 42.059 -0.033 0.000 1.323 443 L HN 0.588 nan 8.230 nan 0.000 0.425 444 D N 1.082 121.482 120.400 -0.000 0.000 2.256 444 D HA 0.457 5.097 4.640 0.001 0.000 0.250 444 D C -0.431 175.825 176.300 -0.072 0.000 1.093 444 D CA -0.020 53.987 54.000 0.012 0.000 0.882 444 D CB 1.741 42.574 40.800 0.056 0.000 1.185 444 D HN 0.613 nan 8.370 nan 0.000 0.437 445 C N 0.417 119.676 119.300 -0.068 0.000 3.340 445 C HA 0.703 5.164 4.460 0.001 0.000 0.333 445 C C -1.213 173.746 174.990 -0.053 0.000 1.464 445 C CA -0.770 58.176 59.018 -0.119 0.000 1.337 445 C CB 1.538 29.152 27.740 -0.210 0.000 1.740 445 C HN 0.547 nan 8.230 nan 0.000 0.450 446 Q N 0.348 120.113 119.800 -0.058 0.000 2.347 446 Q HA 0.745 5.085 4.340 0.001 0.000 0.271 446 Q C -1.530 174.453 176.000 -0.029 0.000 1.064 446 Q CA -0.364 55.434 55.803 -0.009 0.000 0.800 446 Q CB 2.554 31.289 28.738 -0.004 0.000 1.304 446 Q HN 0.719 nan 8.270 nan 0.000 0.438 447 I N 2.658 123.224 120.570 -0.006 0.000 2.439 447 I HA 0.227 4.398 4.170 0.001 0.000 0.285 447 I C -1.019 175.131 176.117 0.054 0.000 1.021 447 I CA -0.760 60.450 61.300 -0.149 0.000 1.091 447 I CB 1.078 38.725 38.000 -0.588 0.000 1.242 447 I HN 0.650 nan 8.210 nan 0.000 0.439 448 Y N 5.205 125.553 120.300 0.080 0.000 3.305 448 Y HA -0.253 4.297 4.550 0.001 0.000 0.212 448 Y C 1.494 177.369 175.900 -0.042 0.000 1.248 448 Y CA 1.058 59.189 58.100 0.052 0.000 1.359 448 Y CB -1.980 36.502 38.460 0.036 0.000 1.407 448 Y HN 0.990 nan 8.280 nan 0.000 0.572 449 G N -2.067 106.828 108.800 0.158 0.000 2.267 449 G HA2 -0.070 3.891 3.960 0.001 0.000 0.257 449 G HA3 -0.070 3.891 3.960 0.001 0.000 0.257 449 G C 0.529 175.469 174.900 0.066 0.000 0.998 449 G CA 0.301 45.453 45.100 0.088 0.000 0.620 449 G HN 1.599 nan 8.290 nan 0.000 0.529 450 A N -0.491 122.383 122.820 0.089 0.000 2.316 450 A HA 0.619 4.940 4.320 0.001 0.000 0.284 450 A C 0.684 178.134 177.584 -0.224 0.000 1.115 450 A CA 0.485 52.465 52.037 -0.095 0.000 0.812 450 A CB 0.890 19.813 19.000 -0.129 0.000 1.064 450 A HN 1.501 nan 8.150 nan 0.000 0.489 451 C N 2.509 121.601 119.300 -0.346 0.000 2.369 451 C HA 0.743 5.203 4.460 0.001 0.000 0.358 451 C C -1.060 173.587 174.990 -0.571 0.000 1.274 451 C CA -0.427 58.444 59.018 -0.246 0.000 1.935 451 C CB -1.387 26.349 27.740 -0.006 0.000 2.431 451 C HN 0.642 nan 8.230 nan 0.000 0.545 452 Y N 2.975 123.131 120.300 -0.241 0.000 2.462 452 Y HA 0.445 4.996 4.550 0.001 0.000 0.346 452 Y C 0.362 176.165 175.900 -0.161 0.000 0.976 452 Y CA -0.384 57.519 58.100 -0.328 0.000 1.044 452 Y CB 1.817 40.024 38.460 -0.423 0.000 1.230 452 Y HN 0.583 nan 8.280 nan 0.000 0.455 453 S N 4.042 119.751 115.700 0.014 0.000 2.422 453 S HA 0.733 5.203 4.470 0.001 0.000 0.298 453 S C -0.923 173.729 174.600 0.087 0.000 1.118 453 S CA -0.272 57.987 58.200 0.099 0.000 1.083 453 S CB -0.355 62.953 63.200 0.180 0.000 0.971 453 S HN 0.543 nan 8.310 nan 0.000 0.478 454 I N 3.833 124.441 120.570 0.064 0.000 2.582 454 I HA 0.351 4.522 4.170 0.001 0.000 0.292 454 I C -0.328 175.825 176.117 0.060 0.000 1.066 454 I CA -0.643 60.702 61.300 0.075 0.000 1.053 454 I CB 2.316 40.356 38.000 0.068 0.000 1.241 454 I HN 0.556 nan 8.210 nan 0.000 0.421 455 E N 6.624 126.872 120.200 0.081 0.000 2.229 455 E HA 0.176 4.527 4.350 0.001 0.000 0.283 455 E C -1.830 174.837 176.600 0.112 0.000 1.030 455 E CA -1.546 54.906 56.400 0.086 0.000 0.836 455 E CB 1.058 30.810 29.700 0.086 0.000 1.068 455 E HN 0.315 nan 8.360 nan 0.000 0.401 456 P HA -0.174 nan 4.420 nan 0.000 0.218 456 P C 0.998 178.472 177.300 0.291 0.000 1.146 456 P CA 0.996 64.203 63.100 0.178 0.000 0.813 456 P CB 0.237 31.981 31.700 0.074 0.000 0.778 457 L N -0.768 120.591 121.223 0.227 0.000 2.265 457 L HA -0.137 4.204 4.340 0.001 0.000 0.215 457 L C 1.355 178.333 176.870 0.180 0.000 1.117 457 L CA 1.252 56.233 54.840 0.235 0.000 0.782 457 L CB -0.564 41.593 42.059 0.163 0.000 0.914 457 L HN -0.004 nan 8.230 nan 0.000 0.441 458 D N -0.406 120.085 120.400 0.151 0.000 2.340 458 D HA -0.015 4.626 4.640 0.001 0.000 0.220 458 D C 2.251 178.620 176.300 0.116 0.000 1.039 458 D CA 0.293 54.354 54.000 0.102 0.000 0.866 458 D CB 0.311 41.157 40.800 0.075 0.000 0.913 458 D HN 0.299 nan 8.370 nan 0.000 0.523 459 L N 0.988 122.327 121.223 0.193 0.000 2.013 459 L HA -0.182 4.158 4.340 0.001 0.000 0.212 459 L C -0.409 176.568 176.870 0.179 0.000 1.073 459 L CA 1.646 56.615 54.840 0.216 0.000 0.753 459 L CB -1.578 40.687 42.059 0.344 0.000 0.890 459 L HN 0.046 nan 8.230 nan 0.000 0.432 460 P HA -0.203 nan 4.420 nan 0.000 0.215 460 P C 1.496 178.861 177.300 0.108 0.000 1.157 460 P CA 1.386 64.546 63.100 0.101 0.000 0.874 460 P CB 0.035 31.640 31.700 -0.159 0.000 0.790 461 Q N -0.951 118.849 119.800 0.001 0.000 2.050 461 Q HA -0.124 4.216 4.340 0.001 0.000 0.202 461 Q C 2.207 178.196 176.000 -0.019 0.000 0.980 461 Q CA 1.265 57.050 55.803 -0.030 0.000 0.840 461 Q CB -0.653 28.052 28.738 -0.056 0.000 0.898 461 Q HN 0.251 nan 8.270 nan 0.000 0.424 462 I N 0.420 120.986 120.570 -0.007 0.000 2.163 462 I HA -0.306 3.864 4.170 0.001 0.000 0.243 462 I C 2.152 178.279 176.117 0.016 0.000 1.085 462 I CA 1.212 62.480 61.300 -0.053 0.000 1.347 462 I CB -0.252 37.758 38.000 0.017 0.000 1.044 462 I HN 0.218 nan 8.210 nan 0.000 0.408 463 I N 0.355 120.989 120.570 0.106 0.000 2.179 463 I HA -0.308 3.862 4.170 0.001 0.000 0.242 463 I C 2.652 178.783 176.117 0.023 0.000 1.088 463 I CA 1.518 62.891 61.300 0.122 0.000 1.357 463 I CB -0.442 37.600 38.000 0.070 0.000 1.051 463 I HN 0.323 nan 8.210 nan 0.000 0.409 464 E N 1.092 121.316 120.200 0.041 0.000 2.058 464 E HA -0.248 4.102 4.350 0.001 0.000 0.194 464 E C 2.402 178.987 176.600 -0.024 0.000 0.997 464 E CA 1.120 57.531 56.400 0.018 0.000 0.801 464 E CB 0.095 29.866 29.700 0.119 0.000 0.746 464 E HN 0.279 nan 8.360 nan 0.000 0.450 465 R N 0.185 120.657 120.500 -0.047 0.000 2.096 465 R HA -0.107 4.233 4.340 0.001 0.000 0.235 465 R C 2.473 178.708 176.300 -0.108 0.000 1.127 465 R CA 0.977 57.023 56.100 -0.090 0.000 0.968 465 R CB -0.516 29.695 30.300 -0.150 0.000 0.861 465 R HN 0.368 nan 8.270 nan 0.000 0.440 466 L N -0.965 120.184 121.223 -0.123 0.000 2.127 466 L HA -0.028 4.312 4.340 0.001 0.000 0.203 466 L C 1.920 178.556 176.870 -0.390 0.000 1.080 466 L CA 1.015 55.702 54.840 -0.255 0.000 0.768 466 L CB -0.428 41.427 42.059 -0.339 0.000 0.924 466 L HN 0.257 nan 8.230 nan 0.000 0.444 467 H N -0.481 118.514 119.070 -0.126 0.000 2.874 467 H HA 0.307 4.864 4.556 0.001 0.000 0.264 467 H C 0.921 176.157 175.328 -0.153 0.000 1.007 467 H CA 0.682 56.642 56.048 -0.148 0.000 1.207 467 H CB 1.059 30.707 29.762 -0.190 0.000 1.487 467 H HN 0.322 nan 8.280 nan 0.000 0.505 468 G N 1.092 109.867 108.800 -0.041 0.000 2.746 468 G HA2 -0.232 3.728 3.960 0.001 0.000 0.685 468 G HA3 -0.232 3.728 3.960 0.001 0.000 0.685 468 G C 0.610 175.448 174.900 -0.104 0.000 1.350 468 G CA -0.219 44.852 45.100 -0.048 0.000 0.837 468 G HN 0.211 nan 8.290 nan 0.000 0.564 469 L N 1.002 122.226 121.223 0.001 0.000 2.265 469 L HA -0.115 4.226 4.340 0.001 0.000 0.215 469 L C 3.183 180.064 176.870 0.017 0.000 1.117 469 L CA 2.124 57.028 54.840 0.106 0.000 0.782 469 L CB -0.543 41.645 42.059 0.216 0.000 0.914 469 L HN 0.902 nan 8.230 nan 0.000 0.441 470 S N 0.051 115.727 115.700 -0.041 0.000 2.440 470 S HA -0.185 4.285 4.470 0.001 0.000 0.238 470 S C 2.130 176.646 174.600 -0.141 0.000 1.010 470 S CA 0.834 58.999 58.200 -0.057 0.000 0.972 470 S CB -0.404 62.758 63.200 -0.063 0.000 0.774 470 S HN 0.389 nan 8.310 nan 0.000 0.501 471 A N 0.843 123.485 122.820 -0.296 0.000 2.019 471 A HA 0.140 4.460 4.320 0.001 0.000 0.219 471 A C 1.542 178.941 177.584 -0.308 0.000 1.164 471 A CA 1.028 52.819 52.037 -0.410 0.000 0.644 471 A CB -0.838 17.794 19.000 -0.613 0.000 0.805 471 A HN 0.578 nan 8.150 nan 0.000 0.449 472 F N 0.103 120.061 119.950 0.014 0.000 2.797 472 F HA 0.104 4.632 4.527 0.001 0.000 0.302 472 F C 1.859 177.700 175.800 0.068 0.000 1.130 472 F CA 0.602 58.636 58.000 0.056 0.000 1.387 472 F CB -0.005 39.056 39.000 0.102 0.000 1.107 472 F HN 0.265 nan 8.300 nan 0.000 0.577 473 S N -1.640 114.163 115.700 0.171 0.000 2.787 473 S HA 0.300 4.770 4.470 0.001 0.000 0.255 473 S C 0.164 174.832 174.600 0.113 0.000 1.051 473 S CA -0.352 57.940 58.200 0.154 0.000 1.124 473 S CB -0.491 62.791 63.200 0.136 0.000 1.104 473 S HN 0.044 nan 8.310 nan 0.000 0.623 474 L N 3.402 124.609 121.223 -0.026 0.000 2.485 474 L HA 0.361 4.701 4.340 0.001 0.000 0.275 474 L C 0.571 177.348 176.870 -0.156 0.000 1.207 474 L CA 0.288 54.991 54.840 -0.228 0.000 0.855 474 L CB -0.030 41.762 42.059 -0.445 0.000 1.114 474 L HN 0.647 nan 8.230 nan 0.000 0.485 475 H N -1.544 117.316 119.070 -0.350 0.000 2.918 475 H HA 0.370 4.927 4.556 0.001 0.000 0.303 475 H C -0.334 174.846 175.328 -0.247 0.000 1.380 475 H CA -0.862 55.059 56.048 -0.212 0.000 1.134 475 H CB 1.018 30.770 29.762 -0.018 0.000 1.842 475 H HN 0.381 nan 8.280 nan 0.000 0.533 476 S N -0.412 115.344 115.700 0.094 0.000 3.572 476 S HA -0.226 4.244 4.470 0.001 0.000 0.394 476 S C -0.650 173.974 174.600 0.040 0.000 0.923 476 S CA 0.452 58.721 58.200 0.116 0.000 1.291 476 S CB -2.393 60.877 63.200 0.115 0.000 0.914 476 S HN 0.521 nan 8.310 nan 0.000 0.545 477 Y N 1.763 122.107 120.300 0.075 0.000 2.330 477 Y HA 0.315 4.865 4.550 0.000 0.000 0.341 477 Y C 1.423 177.377 175.900 0.090 0.000 1.278 477 Y CA 0.345 58.485 58.100 0.067 0.000 1.453 477 Y CB 0.383 38.877 38.460 0.057 0.000 1.342 477 Y HN 0.532 nan 8.280 nan 0.000 0.590 478 S N 1.185 117.037 115.700 0.252 0.000 2.579 478 S HA 0.118 4.588 4.470 0.001 0.000 0.275 478 S C -2.047 172.641 174.600 0.146 0.000 1.345 478 S CA -1.057 57.239 58.200 0.159 0.000 1.031 478 S CB 1.159 64.430 63.200 0.118 0.000 0.892 478 S HN 0.439 nan 8.310 nan 0.000 0.529 479 P HA 0.055 nan 4.420 nan 0.000 0.218 479 P C 1.675 179.019 177.300 0.073 0.000 1.149 479 P CA 1.410 64.562 63.100 0.086 0.000 0.817 479 P CB -0.388 31.354 31.700 0.069 0.000 0.785 480 G N 0.073 108.914 108.800 0.068 0.000 2.404 480 G HA2 -0.266 3.694 3.960 0.001 0.000 0.215 480 G HA3 -0.266 3.694 3.960 0.001 0.000 0.215 480 G C 1.663 176.597 174.900 0.057 0.000 1.174 480 G CA 0.811 45.942 45.100 0.051 0.000 0.780 480 G HN 0.248 nan 8.290 nan 0.000 0.537 481 E N 0.684 120.937 120.200 0.087 0.000 2.047 481 E HA -0.056 4.295 4.350 0.001 0.000 0.191 481 E C 2.435 179.083 176.600 0.080 0.000 0.987 481 E CA 0.818 57.280 56.400 0.104 0.000 0.799 481 E CB -0.415 29.400 29.700 0.191 0.000 0.752 481 E HN 0.484 nan 8.360 nan 0.000 0.449 482 I N 0.902 121.526 120.570 0.089 0.000 2.163 482 I HA -0.316 3.854 4.170 0.001 0.000 0.243 482 I C 1.906 178.050 176.117 0.044 0.000 1.085 482 I CA 1.227 62.564 61.300 0.062 0.000 1.347 482 I CB -0.446 37.605 38.000 0.086 0.000 1.044 482 I HN 0.176 nan 8.210 nan 0.000 0.408 483 N N 0.617 119.345 118.700 0.045 0.000 2.166 483 N HA -0.199 4.542 4.740 0.001 0.000 0.186 483 N C 1.879 177.399 175.510 0.016 0.000 1.019 483 N CA 1.123 54.192 53.050 0.032 0.000 0.856 483 N CB -0.437 38.069 38.487 0.033 0.000 0.993 483 N HN 0.359 nan 8.380 nan 0.000 0.426 484 R N 0.861 121.366 120.500 0.010 0.000 2.075 484 R HA -0.024 4.316 4.340 0.001 0.000 0.232 484 R C 1.866 178.143 176.300 -0.038 0.000 1.126 484 R CA 0.934 57.023 56.100 -0.018 0.000 0.963 484 R CB -0.163 30.120 30.300 -0.027 0.000 0.858 484 R HN -0.050 nan 8.270 nan 0.000 0.435 485 V N 1.144 121.043 119.914 -0.024 0.000 2.261 485 V HA -0.243 3.878 4.120 0.001 0.000 0.246 485 V C 2.501 178.583 176.094 -0.018 0.000 1.047 485 V CA 2.036 64.314 62.300 -0.036 0.000 1.015 485 V CB -0.848 30.980 31.823 0.008 0.000 0.642 485 V HN 0.574 nan 8.190 nan 0.000 0.446 486 A N -0.496 122.328 122.820 0.008 0.000 1.933 486 A HA -0.207 4.114 4.320 0.001 0.000 0.218 486 A C 2.474 180.066 177.584 0.013 0.000 1.175 486 A CA 2.252 54.303 52.037 0.023 0.000 0.628 486 A CB -0.678 18.343 19.000 0.035 0.000 0.814 486 A HN 0.513 nan 8.150 nan 0.000 0.444 487 S N -1.224 114.478 115.700 0.004 0.000 2.368 487 S HA -0.202 4.269 4.470 0.001 0.000 0.224 487 S C 2.047 176.642 174.600 -0.008 0.000 1.029 487 S CA 1.226 59.428 58.200 0.002 0.000 0.988 487 S CB -0.850 62.350 63.200 0.000 0.000 0.838 487 S HN 0.807 nan 8.310 nan 0.000 0.462 488 C N 2.106 121.387 119.300 -0.031 0.000 2.425 488 C HA 0.022 4.482 4.460 0.001 0.000 0.277 488 C C 2.403 177.370 174.990 -0.039 0.000 1.280 488 C CA 0.497 59.486 59.018 -0.049 0.000 1.744 488 C CB -1.637 26.041 27.740 -0.104 0.000 1.989 488 C HN 0.566 nan 8.230 nan 0.000 0.491 489 L N 0.380 121.588 121.223 -0.025 0.000 2.046 489 L HA -0.106 4.235 4.340 0.001 0.000 0.208 489 L C 3.050 179.902 176.870 -0.031 0.000 1.077 489 L CA 1.672 56.507 54.840 -0.009 0.000 0.747 489 L CB -0.870 41.214 42.059 0.042 0.000 0.896 489 L HN 0.353 nan 8.230 nan 0.000 0.432 490 R N 0.366 120.859 120.500 -0.011 0.000 2.092 490 R HA -0.173 4.168 4.340 0.001 0.000 0.231 490 R C 2.336 178.635 176.300 -0.001 0.000 1.119 490 R CA 1.225 57.321 56.100 -0.006 0.000 0.970 490 R CB -0.260 30.055 30.300 0.025 0.000 0.864 490 R HN 0.313 nan 8.270 nan 0.000 0.440 491 K N 0.744 121.154 120.400 0.017 0.000 2.057 491 K HA -0.143 4.178 4.320 0.001 0.000 0.207 491 K C 1.558 178.200 176.600 0.070 0.000 1.049 491 K CA 1.228 57.556 56.287 0.068 0.000 0.931 491 K CB 0.096 32.624 32.500 0.045 0.000 0.714 491 K HN 0.002 nan 8.250 nan 0.000 0.440 492 L N -0.101 121.090 121.223 -0.053 0.000 2.509 492 L HA 0.194 4.535 4.340 0.001 0.000 0.222 492 L C 1.078 177.696 176.870 -0.420 0.000 1.123 492 L CA 1.294 56.076 54.840 -0.098 0.000 0.856 492 L CB 0.092 42.128 42.059 -0.038 0.000 0.985 492 L HN 0.510 nan 8.230 nan 0.000 0.456 493 G N -0.157 108.262 108.800 -0.635 0.000 2.212 493 G HA2 -0.207 3.754 3.960 0.001 0.000 0.255 493 G HA3 -0.207 3.754 3.960 0.001 0.000 0.255 493 G C 0.043 174.798 174.900 -0.242 0.000 1.062 493 G CA 0.148 44.806 45.100 -0.736 0.000 0.815 493 G HN 0.100 nan 8.290 nan 0.000 0.497 494 V N 0.679 120.533 119.914 -0.100 0.000 2.567 494 V HA 0.464 4.584 4.120 0.001 0.000 0.289 494 V C -1.311 174.860 176.094 0.128 0.000 1.049 494 V CA -1.623 60.719 62.300 0.069 0.000 0.969 494 V CB 1.664 33.549 31.823 0.104 0.000 0.995 494 V HN 0.164 nan 8.190 nan 0.000 0.471 495 P HA 0.132 nan 4.420 nan 0.000 0.267 495 P C -2.472 174.955 177.300 0.211 0.000 1.200 495 P CA -0.750 62.385 63.100 0.058 0.000 0.772 495 P CB -0.097 31.465 31.700 -0.229 0.000 0.855 496 P HA 0.033 nan 4.420 nan 0.000 0.270 496 P C 0.963 178.429 177.300 0.278 0.000 1.223 496 P CA 0.040 63.240 63.100 0.167 0.000 0.785 496 P CB 0.760 32.512 31.700 0.086 0.000 0.923 497 L N 1.245 122.649 121.223 0.302 0.000 2.089 497 L HA -0.266 4.075 4.340 0.001 0.000 0.213 497 L C 2.864 179.921 176.870 0.311 0.000 1.079 497 L CA 2.070 57.121 54.840 0.352 0.000 0.758 497 L CB -0.887 41.290 42.059 0.198 0.000 0.891 497 L HN 0.500 nan 8.230 nan 0.000 0.433 498 R N -0.381 120.238 120.500 0.197 0.000 2.105 498 R HA -0.118 4.223 4.340 0.001 0.000 0.239 498 R C 1.989 178.372 176.300 0.138 0.000 1.135 498 R CA 1.537 57.735 56.100 0.163 0.000 0.967 498 R CB -1.056 29.309 30.300 0.109 0.000 0.861 498 R HN 0.185 nan 8.270 nan 0.000 0.442 499 V N 0.495 120.429 119.914 0.033 0.000 2.358 499 V HA -0.173 3.947 4.120 0.001 0.000 0.246 499 V C 1.986 177.997 176.094 -0.138 0.000 1.047 499 V CA 1.714 63.931 62.300 -0.137 0.000 1.035 499 V CB -0.691 30.923 31.823 -0.348 0.000 0.658 499 V HN 0.364 nan 8.190 nan 0.000 0.452 500 W N 0.310 121.712 121.300 0.169 0.000 2.363 500 W HA -0.137 4.523 4.660 0.001 0.000 0.296 500 W C 2.739 179.463 176.519 0.341 0.000 1.212 500 W CA 1.599 59.087 57.345 0.238 0.000 1.260 500 W CB -0.312 29.285 29.460 0.228 0.000 1.131 500 W HN 0.072 nan 8.180 nan 0.000 0.530 501 R N -0.246 120.568 120.500 0.523 0.000 2.081 501 R HA -0.227 4.113 4.340 0.001 0.000 0.235 501 R C 2.058 178.476 176.300 0.195 0.000 1.131 501 R CA 2.183 58.549 56.100 0.444 0.000 0.960 501 R CB -0.788 29.739 30.300 0.377 0.000 0.856 501 R HN 0.305 nan 8.270 nan 0.000 0.436 502 H N -0.063 119.054 119.070 0.079 0.000 2.319 502 H HA -0.060 4.497 4.556 0.001 0.000 0.299 502 H C 2.128 177.436 175.328 -0.033 0.000 1.092 502 H CA 2.196 58.240 56.048 -0.006 0.000 1.302 502 H CB 0.182 29.924 29.762 -0.035 0.000 1.373 502 H HN 0.166 nan 8.280 nan 0.000 0.497 503 R N -0.015 120.600 120.500 0.192 0.000 2.096 503 R HA -0.092 4.248 4.340 0.001 0.000 0.235 503 R C 2.582 178.904 176.300 0.037 0.000 1.127 503 R CA 0.849 57.010 56.100 0.101 0.000 0.968 503 R CB -0.270 30.054 30.300 0.039 0.000 0.861 503 R HN 0.366 nan 8.270 nan 0.000 0.440 504 A N 1.472 124.335 122.820 0.071 0.000 1.908 504 A HA -0.192 4.129 4.320 0.001 0.000 0.218 504 A C 2.101 179.472 177.584 -0.356 0.000 1.181 504 A CA 1.287 53.233 52.037 -0.151 0.000 0.627 504 A CB -0.399 18.566 19.000 -0.058 0.000 0.818 504 A HN 0.226 nan 8.150 nan 0.000 0.445 505 R N -0.665 119.682 120.500 -0.256 0.000 2.105 505 R HA -0.129 4.211 4.340 0.001 0.000 0.239 505 R C 2.664 178.831 176.300 -0.220 0.000 1.135 505 R CA 1.558 57.502 56.100 -0.259 0.000 0.967 505 R CB -0.373 29.781 30.300 -0.242 0.000 0.861 505 R HN 0.595 nan 8.270 nan 0.000 0.442 506 S N 0.126 115.727 115.700 -0.166 0.000 2.345 506 S HA -0.091 4.380 4.470 0.001 0.000 0.220 506 S C 2.049 176.548 174.600 -0.168 0.000 1.031 506 S CA 1.230 59.356 58.200 -0.123 0.000 0.996 506 S CB -0.138 63.031 63.200 -0.052 0.000 0.882 506 S HN 0.115 nan 8.310 nan 0.000 0.445 507 V N 2.572 122.342 119.914 -0.240 0.000 2.332 507 V HA -0.185 3.936 4.120 0.001 0.000 0.248 507 V C 2.734 178.599 176.094 -0.381 0.000 1.055 507 V CA 2.354 64.467 62.300 -0.313 0.000 1.038 507 V CB -0.895 30.640 31.823 -0.480 0.000 0.651 507 V HN 0.508 nan 8.190 nan 0.000 0.450 508 R N 0.249 120.443 120.500 -0.509 0.000 2.080 508 R HA -0.190 4.151 4.340 0.001 0.000 0.236 508 R C 2.335 178.534 176.300 -0.168 0.000 1.137 508 R CA 1.854 57.752 56.100 -0.337 0.000 0.943 508 R CB -0.542 29.580 30.300 -0.296 0.000 0.846 508 R HN 0.475 nan 8.270 nan 0.000 0.431 509 A N 0.756 123.482 122.820 -0.157 0.000 1.908 509 A HA -0.183 4.137 4.320 0.001 0.000 0.218 509 A C 2.209 179.752 177.584 -0.069 0.000 1.181 509 A CA 1.640 53.617 52.037 -0.100 0.000 0.627 509 A CB -0.448 18.495 19.000 -0.096 0.000 0.818 509 A HN 0.344 nan 8.150 nan 0.000 0.445 510 R N -0.652 119.804 120.500 -0.074 0.000 2.081 510 R HA -0.005 4.336 4.340 0.001 0.000 0.235 510 R C 2.086 178.381 176.300 -0.008 0.000 1.131 510 R CA 1.448 57.526 56.100 -0.036 0.000 0.960 510 R CB -0.499 29.781 30.300 -0.034 0.000 0.856 510 R HN 0.545 nan 8.270 nan 0.000 0.436 511 L N 0.103 121.322 121.223 -0.008 0.000 2.017 511 L HA -0.200 4.141 4.340 0.001 0.000 0.208 511 L C 2.216 179.104 176.870 0.029 0.000 1.073 511 L CA 1.246 56.111 54.840 0.043 0.000 0.745 511 L CB -0.398 41.699 42.059 0.064 0.000 0.894 511 L HN 0.220 nan 8.230 nan 0.000 0.432 512 L N -1.043 120.180 121.223 -0.001 0.000 2.042 512 L HA -0.230 4.110 4.340 0.001 0.000 0.210 512 L C 2.662 179.532 176.870 0.000 0.000 1.076 512 L CA 1.138 55.976 54.840 -0.003 0.000 0.749 512 L CB -0.510 41.532 42.059 -0.027 0.000 0.893 512 L HN 0.210 nan 8.230 nan 0.000 0.432 513 S N -0.668 115.029 115.700 -0.005 0.000 2.419 513 S HA -0.178 4.293 4.470 0.001 0.000 0.235 513 S C 1.860 176.467 174.600 0.010 0.000 1.019 513 S CA 0.984 59.182 58.200 -0.002 0.000 0.982 513 S CB -0.157 63.039 63.200 -0.007 0.000 0.789 513 S HN 0.468 nan 8.310 nan 0.000 0.490 514 Q N 0.523 120.336 119.800 0.022 0.000 2.297 514 Q HA 0.176 4.517 4.340 0.001 0.000 0.204 514 Q C 1.449 177.468 176.000 0.033 0.000 0.962 514 Q CA 0.630 56.453 55.803 0.033 0.000 0.879 514 Q CB -0.676 28.093 28.738 0.052 0.000 0.947 514 Q HN 0.533 nan 8.270 nan 0.000 0.462 515 G N 0.266 109.084 108.800 0.029 0.000 2.804 515 G HA2 -0.076 3.884 3.960 0.001 0.000 0.230 515 G HA3 -0.076 3.884 3.960 0.001 0.000 0.230 515 G C 0.456 175.379 174.900 0.038 0.000 1.386 515 G CA 0.168 45.285 45.100 0.028 0.000 0.875 515 G HN 0.768 nan 8.290 nan 0.000 0.557 516 G N -0.789 108.032 108.800 0.035 0.000 2.564 516 G HA2 -0.183 3.778 3.960 0.001 0.000 0.273 516 G HA3 -0.183 3.778 3.960 0.001 0.000 0.273 516 G C 1.010 175.939 174.900 0.049 0.000 1.242 516 G CA 1.226 46.349 45.100 0.039 0.000 0.951 516 G HN 1.549 nan 8.290 nan 0.000 0.564 517 R N 0.198 120.731 120.500 0.054 0.000 2.120 517 R HA 0.124 4.464 4.340 0.001 0.000 0.234 517 R C 3.222 179.577 176.300 0.091 0.000 1.123 517 R CA 2.213 58.351 56.100 0.064 0.000 0.975 517 R CB -0.589 29.751 30.300 0.067 0.000 0.866 517 R HN 0.765 nan 8.270 nan 0.000 0.446 518 A N 0.823 123.704 122.820 0.102 0.000 1.902 518 A HA -0.148 4.172 4.320 0.001 0.000 0.217 518 A C 2.324 179.969 177.584 0.101 0.000 1.181 518 A CA 1.719 53.834 52.037 0.131 0.000 0.623 518 A CB -0.736 18.336 19.000 0.119 0.000 0.818 518 A HN 0.408 nan 8.150 nan 0.000 0.443 519 A N -0.875 121.988 122.820 0.072 0.000 1.877 519 A HA -0.112 4.208 4.320 0.001 0.000 0.216 519 A C 2.313 179.938 177.584 0.068 0.000 1.186 519 A CA 2.374 54.444 52.037 0.054 0.000 0.620 519 A CB -1.411 17.613 19.000 0.039 0.000 0.822 519 A HN 0.436 nan 8.150 nan 0.000 0.443 520 T N -0.524 114.081 114.554 0.084 0.000 2.720 520 T HA -0.228 4.122 4.350 0.001 0.000 0.268 520 T C 1.901 176.673 174.700 0.120 0.000 1.037 520 T CA 1.643 63.823 62.100 0.132 0.000 1.144 520 T CB -0.810 68.087 68.868 0.048 0.000 0.864 520 T HN 0.585 nan 8.240 nan 0.000 0.444 521 C N 1.319 120.658 119.300 0.065 0.000 2.413 521 C HA 0.009 4.470 4.460 0.001 0.000 0.276 521 C C 3.112 178.117 174.990 0.026 0.000 1.248 521 C CA 0.508 59.525 59.018 -0.002 0.000 1.742 521 C CB -1.585 26.159 27.740 0.006 0.000 2.017 521 C HN 0.742 nan 8.230 nan 0.000 0.481 522 G N 0.045 108.897 108.800 0.085 0.000 2.404 522 G HA2 -0.243 3.718 3.960 0.001 0.000 0.215 522 G HA3 -0.243 3.718 3.960 0.001 0.000 0.215 522 G C 1.617 176.557 174.900 0.066 0.000 1.174 522 G CA 1.069 46.246 45.100 0.129 0.000 0.780 522 G HN 0.633 nan 8.290 nan 0.000 0.537 523 K N -0.715 119.684 120.400 -0.001 0.000 1.991 523 K HA -0.130 4.190 4.320 0.001 0.000 0.212 523 K C 2.265 178.695 176.600 -0.284 0.000 1.049 523 K CA 1.457 57.665 56.287 -0.131 0.000 0.932 523 K CB -0.330 32.095 32.500 -0.125 0.000 0.717 523 K HN 0.384 nan 8.250 nan 0.000 0.441 524 Y N 0.904 121.013 120.300 -0.318 0.000 2.176 524 Y HA -0.064 4.486 4.550 0.001 0.000 0.291 524 Y C 2.135 177.698 175.900 -0.561 0.000 1.122 524 Y CA 1.045 58.750 58.100 -0.658 0.000 1.128 524 Y CB -0.265 37.546 38.460 -1.082 0.000 1.005 524 Y HN -0.016 nan 8.280 nan 0.000 0.509 525 L N -1.728 119.341 121.223 -0.256 0.000 2.131 525 L HA -0.165 4.176 4.340 0.001 0.000 0.210 525 L C 0.754 177.371 176.870 -0.422 0.000 1.092 525 L CA 1.309 55.947 54.840 -0.336 0.000 0.759 525 L CB -0.417 41.234 42.059 -0.680 0.000 0.903 525 L HN 0.175 nan 8.230 nan 0.000 0.435 526 F N -1.444 118.468 119.950 -0.063 0.000 2.735 526 F HA 0.184 4.711 4.527 0.001 0.000 0.304 526 F C 1.698 177.219 175.800 -0.466 0.000 1.119 526 F CA -0.287 57.513 58.000 -0.334 0.000 1.280 526 F CB -0.701 38.092 39.000 -0.344 0.000 0.994 526 F HN 0.024 nan 8.300 nan 0.000 0.520 527 N N 1.020 119.651 118.700 -0.114 0.000 2.289 527 N HA -0.170 4.571 4.740 0.001 0.000 0.184 527 N C 1.925 177.397 175.510 -0.063 0.000 1.016 527 N CA 1.398 54.385 53.050 -0.104 0.000 0.872 527 N CB -0.085 38.357 38.487 -0.076 0.000 0.973 527 N HN 0.591 nan 8.380 nan 0.000 0.433 528 W N 0.457 121.797 121.300 0.067 0.000 2.468 528 W HA 0.048 4.709 4.660 0.001 0.000 0.262 528 W C 1.418 177.993 176.519 0.093 0.000 1.241 528 W CA 0.609 58.004 57.345 0.082 0.000 1.232 528 W CB -0.661 28.861 29.460 0.103 0.000 1.124 528 W HN -0.017 nan 8.180 nan 0.000 0.597 529 A N 1.615 123.997 122.820 -0.731 0.000 2.021 529 A HA 0.134 4.454 4.320 0.001 0.000 0.216 529 A C 1.275 178.694 177.584 -0.275 0.000 1.163 529 A CA 1.194 52.817 52.037 -0.689 0.000 0.676 529 A CB -0.925 17.492 19.000 -0.972 0.000 0.818 529 A HN 0.115 nan 8.150 nan 0.000 0.453 530 V N -2.875 116.914 119.914 -0.207 0.000 2.863 530 V HA 0.372 4.492 4.120 0.001 0.000 0.307 530 V C 0.850 176.899 176.094 -0.075 0.000 1.061 530 V CA -0.636 61.585 62.300 -0.133 0.000 1.024 530 V CB 1.209 32.954 31.823 -0.129 0.000 1.049 530 V HN 0.359 nan 8.190 nan 0.000 0.471 531 K N 0.910 121.271 120.400 -0.065 0.000 2.007 531 K HA 0.033 4.354 4.320 0.001 0.000 0.206 531 K C 0.695 177.267 176.600 -0.047 0.000 1.047 531 K CA 1.524 57.784 56.287 -0.045 0.000 0.937 531 K CB -0.228 32.246 32.500 -0.043 0.000 0.718 531 K HN 0.810 nan 8.250 nan 0.000 0.438 532 T N 3.433 117.955 114.554 -0.054 0.000 2.782 532 T HA 0.139 4.489 4.350 0.001 0.000 0.298 532 T C -0.155 174.509 174.700 -0.061 0.000 0.944 532 T CA -0.441 61.627 62.100 -0.053 0.000 1.001 532 T CB 0.600 69.438 68.868 -0.051 0.000 0.932 532 T HN -0.027 nan 8.240 nan 0.000 0.524 533 K N 2.416 122.783 120.400 -0.055 0.000 2.187 533 K HA 0.353 4.673 4.320 0.001 0.000 0.247 533 K C 0.155 176.712 176.600 -0.073 0.000 1.019 533 K CA -0.570 55.681 56.287 -0.060 0.000 0.893 533 K CB 0.622 33.097 32.500 -0.040 0.000 1.025 533 K HN 0.274 nan 8.250 nan 0.000 0.500 534 L N 1.012 122.177 121.223 -0.097 0.000 2.335 534 L HA 0.205 4.545 4.340 0.001 0.000 0.268 534 L C 1.809 178.612 176.870 -0.113 0.000 1.016 534 L CA -0.109 54.662 54.840 -0.115 0.000 0.805 534 L CB 0.732 42.694 42.059 -0.163 0.000 1.311 534 L HN 0.622 nan 8.230 nan 0.000 0.456 535 K N 0.492 120.826 120.400 -0.109 0.000 1.971 535 K HA -0.103 4.218 4.320 0.001 0.000 0.221 535 K C -0.456 176.087 176.600 -0.095 0.000 1.050 535 K CA 0.784 57.022 56.287 -0.082 0.000 0.967 535 K CB -0.473 31.990 32.500 -0.062 0.000 0.733 535 K HN 0.173 nan 8.250 nan 0.000 0.445 536 L N 2.020 123.135 121.223 -0.180 0.000 3.000 536 L HA -0.138 4.203 4.340 0.001 0.000 0.682 536 L C -0.424 176.476 176.870 0.051 0.000 1.047 536 L CA 1.320 56.042 54.840 -0.197 0.000 1.334 536 L CB -2.194 39.756 42.059 -0.181 0.000 1.859 536 L HN 0.843 nan 8.230 nan 0.000 0.890 537 T N 0.403 115.038 114.554 0.136 0.000 2.940 537 T HA 0.908 5.258 4.350 0.001 0.000 0.288 537 T C -2.589 172.243 174.700 0.220 0.000 1.045 537 T CA -2.300 59.890 62.100 0.149 0.000 1.018 537 T CB 2.050 70.973 68.868 0.093 0.000 1.151 537 T HN 0.171 nan 8.240 nan 0.000 0.529 538 P HA 0.232 nan 4.420 nan 0.000 0.264 538 P C -0.577 176.757 177.300 0.057 0.000 1.193 538 P CA -0.083 63.076 63.100 0.099 0.000 0.763 538 P CB 0.076 31.811 31.700 0.059 0.000 0.810 539 I N 6.529 127.088 120.570 -0.018 0.000 2.379 539 I HA 0.074 4.244 4.170 0.001 0.000 0.290 539 I C -1.151 174.940 176.117 -0.044 0.000 1.063 539 I CA -1.670 59.581 61.300 -0.082 0.000 1.351 539 I CB 0.978 38.840 38.000 -0.230 0.000 1.410 539 I HN 0.344 nan 8.210 nan 0.000 0.505 540 P HA -0.252 nan 4.420 nan 0.000 0.215 540 P C 1.378 178.662 177.300 -0.027 0.000 1.163 540 P CA 1.335 64.425 63.100 -0.016 0.000 0.894 540 P CB 0.236 31.931 31.700 -0.007 0.000 0.791 541 A N -0.637 122.162 122.820 -0.034 0.000 2.172 541 A HA 0.021 4.341 4.320 0.001 0.000 0.216 541 A C 2.210 179.765 177.584 -0.049 0.000 1.154 541 A CA 1.465 53.481 52.037 -0.036 0.000 0.701 541 A CB -1.363 17.618 19.000 -0.031 0.000 0.789 541 A HN 0.193 nan 8.150 nan 0.000 0.465 542 A N 0.718 123.503 122.820 -0.058 0.000 1.940 542 A HA -0.142 4.178 4.320 0.001 0.000 0.219 542 A C 2.463 180.003 177.584 -0.074 0.000 1.176 542 A CA 2.200 54.195 52.037 -0.070 0.000 0.631 542 A CB -1.005 17.956 19.000 -0.065 0.000 0.814 542 A HN 1.038 nan 8.150 nan 0.000 0.446 543 S N 0.538 116.204 115.700 -0.056 0.000 2.442 543 S HA -0.256 4.215 4.470 0.001 0.000 0.236 543 S C 1.838 176.402 174.600 -0.061 0.000 1.007 543 S CA 1.323 59.490 58.200 -0.055 0.000 0.965 543 S CB -0.616 62.562 63.200 -0.037 0.000 0.773 543 S HN 0.855 nan 8.310 nan 0.000 0.504 544 Q N 0.573 120.339 119.800 -0.057 0.000 2.432 544 Q HA 0.232 4.572 4.340 0.001 0.000 0.205 544 Q C 0.394 176.351 176.000 -0.072 0.000 0.945 544 Q CA 0.013 55.784 55.803 -0.054 0.000 0.924 544 Q CB -0.480 28.235 28.738 -0.038 0.000 1.016 544 Q HN 0.500 nan 8.270 nan 0.000 0.503 545 L N 3.213 124.376 121.223 -0.101 0.000 2.477 545 L HA 0.075 4.415 4.340 0.001 0.000 0.272 545 L C 0.064 176.830 176.870 -0.173 0.000 1.157 545 L CA -0.281 54.474 54.840 -0.141 0.000 0.889 545 L CB 0.363 42.304 42.059 -0.196 0.000 1.158 545 L HN 0.064 nan 8.230 nan 0.000 0.473 546 D N 4.239 124.552 120.400 -0.145 0.000 2.455 546 D HA 0.074 4.714 4.640 0.001 0.000 0.234 546 D C 0.434 176.589 176.300 -0.241 0.000 1.224 546 D CA -0.152 53.765 54.000 -0.139 0.000 0.999 546 D CB 0.844 41.602 40.800 -0.071 0.000 1.072 546 D HN 0.250 nan 8.370 nan 0.000 0.514 547 L N 2.398 123.415 121.223 -0.343 0.000 2.607 547 L HA 0.108 4.448 4.340 0.001 0.000 0.228 547 L C 0.803 177.504 176.870 -0.281 0.000 1.123 547 L CA 0.111 54.588 54.840 -0.605 0.000 0.890 547 L CB -0.666 40.975 42.059 -0.695 0.000 1.103 547 L HN 0.276 nan 8.230 nan 0.000 0.468 548 S N -1.033 114.594 115.700 -0.121 0.000 2.549 548 S HA 0.487 4.958 4.470 0.001 0.000 0.283 548 S C 1.300 175.923 174.600 0.037 0.000 1.320 548 S CA 0.106 58.295 58.200 -0.020 0.000 1.058 548 S CB 1.070 64.261 63.200 -0.014 0.000 0.882 548 S HN 0.526 nan 8.310 nan 0.000 0.498 549 G N 2.331 111.185 108.800 0.090 0.000 2.232 549 G HA2 -0.230 3.730 3.960 0.001 0.000 0.226 549 G HA3 -0.230 3.730 3.960 0.001 0.000 0.226 549 G C 0.522 175.529 174.900 0.178 0.000 0.996 549 G CA 0.162 45.326 45.100 0.107 0.000 0.626 549 G HN 0.661 nan 8.290 nan 0.000 0.509 550 W N 0.444 121.613 121.300 -0.218 0.000 2.381 550 W HA 0.423 5.083 4.660 0.001 0.000 0.301 550 W C 1.125 177.228 176.519 -0.693 0.000 1.205 550 W CA 1.366 58.373 57.345 -0.564 0.000 1.285 550 W CB -0.349 28.562 29.460 -0.916 0.000 1.133 550 W HN 0.198 nan 8.180 nan 0.000 0.521 551 F N -0.726 119.387 119.950 0.271 0.000 2.471 551 F HA 0.310 4.838 4.527 0.001 0.000 0.318 551 F C 0.533 176.452 175.800 0.198 0.000 1.308 551 F CA -0.509 57.645 58.000 0.257 0.000 1.162 551 F CB -0.106 39.015 39.000 0.202 0.000 1.383 551 F HN -0.398 nan 8.300 nan 0.000 0.552 552 V N 0.043 120.134 119.914 0.295 0.000 2.854 552 V HA 0.604 4.725 4.120 0.001 0.000 0.236 552 V C 0.868 177.074 176.094 0.186 0.000 1.157 552 V CA 0.648 63.069 62.300 0.201 0.000 1.187 552 V CB 0.498 32.418 31.823 0.162 0.000 0.949 552 V HN 0.419 nan 8.190 nan 0.000 0.488 553 A N -0.686 122.183 122.820 0.082 0.000 2.594 553 A HA 0.786 5.106 4.320 0.001 0.000 0.291 553 A C -0.225 176.953 177.584 -0.678 0.000 1.105 553 A CA 0.080 52.018 52.037 -0.165 0.000 0.694 553 A CB 1.155 19.940 19.000 -0.358 0.000 1.291 553 A HN 0.399 nan 8.150 nan 0.000 0.410 554 G N -1.301 106.850 108.800 -1.082 0.000 2.400 554 G HA2 0.528 4.488 3.960 0.001 0.000 0.301 554 G HA3 0.528 4.488 3.960 0.001 0.000 0.301 554 G C -0.825 173.412 174.900 -1.105 0.000 1.154 554 G CA -0.039 44.051 45.100 -1.683 0.000 0.852 554 G HN 0.600 nan 8.290 nan 0.000 0.511 555 Y N 0.509 120.592 120.300 -0.362 0.000 2.779 555 Y HA 0.291 4.841 4.550 0.001 0.000 0.251 555 Y C 1.355 177.190 175.900 -0.108 0.000 1.145 555 Y CA -0.872 57.129 58.100 -0.165 0.000 1.201 555 Y CB 0.354 38.761 38.460 -0.087 0.000 1.281 555 Y HN 0.507 nan 8.280 nan 0.000 0.563 556 S N 0.827 116.515 115.700 -0.020 0.000 2.626 556 S HA 0.287 4.758 4.470 0.001 0.000 0.303 556 S C 1.488 176.120 174.600 0.052 0.000 1.256 556 S CA 1.545 59.762 58.200 0.028 0.000 1.069 556 S CB -0.067 63.152 63.200 0.032 0.000 0.807 556 S HN 1.064 nan 8.310 nan 0.000 0.500 557 G N 3.571 112.403 108.800 0.052 0.000 2.184 557 G HA2 -0.240 3.720 3.960 0.001 0.000 0.264 557 G HA3 -0.240 3.720 3.960 0.001 0.000 0.264 557 G C 0.840 175.778 174.900 0.063 0.000 0.975 557 G CA 0.455 45.590 45.100 0.058 0.000 0.642 557 G HN 1.346 nan 8.290 nan 0.000 0.536 558 G N -0.221 108.622 108.800 0.071 0.000 2.985 558 G HA2 0.368 4.328 3.960 0.001 0.000 0.209 558 G HA3 0.368 4.328 3.960 0.001 0.000 0.209 558 G C 0.520 175.441 174.900 0.034 0.000 1.165 558 G CA 1.138 46.292 45.100 0.090 0.000 0.776 558 G HN 1.221 nan 8.290 nan 0.000 0.541 559 D N -0.630 119.759 120.400 -0.017 0.000 2.699 559 D HA -0.160 4.480 4.640 0.001 0.000 0.239 559 D C -0.113 176.114 176.300 -0.122 0.000 1.136 559 D CA 0.336 54.296 54.000 -0.067 0.000 0.668 559 D CB -1.144 39.629 40.800 -0.045 0.000 1.060 559 D HN 0.106 nan 8.370 nan 0.000 0.429 560 I N 1.190 121.654 120.570 -0.175 0.000 2.441 560 I HA 0.447 4.617 4.170 0.001 0.000 0.295 560 I C 0.063 175.956 176.117 -0.373 0.000 0.994 560 I CA -0.705 60.388 61.300 -0.344 0.000 1.144 560 I CB 1.275 38.948 38.000 -0.545 0.000 1.314 560 I HN 0.129 nan 8.210 nan 0.000 0.445 561 Y N 5.618 125.530 120.300 -0.647 0.000 2.553 561 Y HA 0.596 5.146 4.550 0.001 0.000 0.347 561 Y C -1.318 174.079 175.900 -0.839 0.000 1.019 561 Y CA -0.579 57.146 58.100 -0.625 0.000 1.032 561 Y CB 1.903 40.130 38.460 -0.388 0.000 1.284 561 Y HN 0.651 nan 8.280 nan 0.000 0.466 562 H N 0.919 119.182 119.070 -1.344 0.000 3.046 562 H HA 0.568 5.125 4.556 0.001 0.000 0.361 562 H C -1.278 173.466 175.328 -0.974 0.000 1.235 562 H CA -0.973 54.530 56.048 -0.908 0.000 1.146 562 H CB 2.211 31.611 29.762 -0.603 0.000 1.859 562 H HN 0.590 nan 8.280 nan 0.000 0.548 563 S N 1.532 117.048 115.700 -0.307 0.000 2.537 563 S HA 0.284 4.754 4.470 0.001 0.000 0.301 563 S C -0.841 173.790 174.600 0.052 0.000 1.092 563 S CA -0.705 57.394 58.200 -0.168 0.000 1.048 563 S CB 1.297 64.486 63.200 -0.018 0.000 1.053 563 S HN 0.334 nan 8.310 nan 0.000 0.501 564 L N 3.275 124.569 121.223 0.117 0.000 2.410 564 L HA 0.396 4.736 4.340 0.001 0.000 0.273 564 L C -0.260 176.660 176.870 0.083 0.000 1.144 564 L CA 0.900 55.839 54.840 0.164 0.000 0.863 564 L CB 0.031 42.205 42.059 0.192 0.000 1.140 564 L HN 0.617 nan 8.230 nan 0.000 0.463 565 S N 4.981 120.716 115.700 0.059 0.000 2.549 565 S HA 0.793 5.264 4.470 0.001 0.000 0.280 565 S C -0.740 173.857 174.600 -0.004 0.000 1.109 565 S CA -0.966 57.250 58.200 0.026 0.000 0.905 565 S CB 2.237 65.452 63.200 0.025 0.000 1.081 565 S HN 0.694 nan 8.310 nan 0.000 0.477 566 R N 0.000 120.496 120.500 -0.007 0.000 2.786 566 R HA 0.000 4.340 4.340 0.001 0.000 0.208 566 R CA 0.000 56.087 56.100 -0.021 0.000 0.921 566 R CB 0.000 30.286 30.300 -0.024 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535