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 2xdm_1_C DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAP 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.419 176.300 0.198 0.000 0.893 1 R CA 0.000 56.171 56.100 0.118 0.000 0.921 1 R CB 0.000 30.347 30.300 0.079 0.000 0.687 2 L N 1.577 122.886 121.223 0.144 0.000 2.286 2 L HA 0.146 4.486 4.340 0.001 0.000 0.203 2 L C 2.001 178.908 176.870 0.062 0.000 1.068 2 L CA 1.809 56.716 54.840 0.111 0.000 0.811 2 L CB 0.169 42.281 42.059 0.087 0.000 0.989 2 L HN 0.931 nan 8.230 nan 0.000 0.467 3 T N -3.967 110.621 114.554 0.056 0.000 3.113 3 T HA -0.159 4.192 4.350 0.001 0.000 0.263 3 T C 1.446 176.175 174.700 0.049 0.000 1.143 3 T CA 0.787 62.914 62.100 0.044 0.000 1.090 3 T CB -0.017 68.871 68.868 0.032 0.000 0.922 3 T HN 0.340 nan 8.240 nan 0.000 0.521 4 E N 0.361 120.596 120.200 0.058 0.000 2.086 4 E HA 0.008 4.359 4.350 0.001 0.000 0.190 4 E C 2.009 178.638 176.600 0.049 0.000 0.975 4 E CA 0.429 56.861 56.400 0.054 0.000 0.813 4 E CB -0.092 29.645 29.700 0.062 0.000 0.768 4 E HN 0.473 nan 8.360 nan 0.000 0.457 5 L N 1.479 122.731 121.223 0.048 0.000 2.083 5 L HA -0.135 4.206 4.340 0.001 0.000 0.209 5 L C 2.309 179.181 176.870 0.003 0.000 1.083 5 L CA 1.570 56.407 54.840 -0.006 0.000 0.752 5 L CB -0.157 41.823 42.059 -0.131 0.000 0.899 5 L HN -0.027 nan 8.230 nan 0.000 0.433 6 R N -0.495 120.051 120.500 0.076 0.000 2.092 6 R HA -0.123 4.218 4.340 0.001 0.000 0.231 6 R C 2.164 178.561 176.300 0.162 0.000 1.119 6 R CA 1.565 57.790 56.100 0.209 0.000 0.970 6 R CB -0.318 30.078 30.300 0.161 0.000 0.864 6 R HN 0.532 nan 8.270 nan 0.000 0.440 7 E N 0.503 120.751 120.200 0.080 0.000 2.047 7 E HA -0.170 4.181 4.350 0.001 0.000 0.191 7 E C 1.449 178.067 176.600 0.029 0.000 0.987 7 E CA 1.199 57.632 56.400 0.055 0.000 0.799 7 E CB 0.006 29.728 29.700 0.036 0.000 0.752 7 E HN 0.297 nan 8.360 nan 0.000 0.449 8 D N 0.678 121.082 120.400 0.006 0.000 2.123 8 D HA -0.154 4.487 4.640 0.001 0.000 0.196 8 D C 1.989 178.248 176.300 -0.068 0.000 0.992 8 D CA 0.964 54.948 54.000 -0.027 0.000 0.833 8 D CB -0.181 40.600 40.800 -0.031 0.000 0.954 8 D HN 0.229 nan 8.370 nan 0.000 0.455 9 I N 0.974 121.474 120.570 -0.117 0.000 2.286 9 I HA -0.190 3.981 4.170 0.001 0.000 0.245 9 I C 1.851 177.890 176.117 -0.131 0.000 1.104 9 I CA 0.801 61.947 61.300 -0.257 0.000 1.397 9 I CB -0.143 37.444 38.000 -0.689 0.000 1.072 9 I HN -0.162 nan 8.210 nan 0.000 0.417 10 D N 1.371 121.790 120.400 0.032 0.000 2.133 10 D HA -0.185 4.455 4.640 0.001 0.000 0.195 10 D C 2.225 178.542 176.300 0.028 0.000 0.997 10 D CA 1.743 55.798 54.000 0.091 0.000 0.840 10 D CB -0.065 40.803 40.800 0.114 0.000 0.947 10 D HN 0.367 nan 8.370 nan 0.000 0.452 11 A N 0.327 123.150 122.820 0.005 0.000 1.929 11 A HA -0.053 4.268 4.320 0.001 0.000 0.216 11 A C 2.366 179.937 177.584 -0.023 0.000 1.176 11 A CA 0.544 52.578 52.037 -0.006 0.000 0.628 11 A CB -0.517 18.480 19.000 -0.006 0.000 0.816 11 A HN 0.180 nan 8.150 nan 0.000 0.444 12 I N -0.303 120.239 120.570 -0.046 0.000 2.286 12 I HA -0.228 3.943 4.170 0.001 0.000 0.248 12 I C 2.124 178.210 176.117 -0.051 0.000 1.115 12 I CA 0.976 62.239 61.300 -0.061 0.000 1.392 12 I CB -0.238 37.705 38.000 -0.096 0.000 1.065 12 I HN 0.252 nan 8.210 nan 0.000 0.418 13 L N 0.133 121.330 121.223 -0.044 0.000 2.362 13 L HA -0.084 4.257 4.340 0.001 0.000 0.219 13 L C 0.882 177.750 176.870 -0.003 0.000 1.134 13 L CA 0.595 55.423 54.840 -0.020 0.000 0.807 13 L CB -0.250 41.813 42.059 0.006 0.000 0.927 13 L HN 0.142 nan 8.230 nan 0.000 0.447 14 E N 1.226 121.425 120.200 -0.002 0.000 1.892 14 E HA 0.113 4.464 4.350 0.001 0.000 0.271 14 E C -0.999 175.598 176.600 -0.006 0.000 1.146 14 E CA 0.176 56.577 56.400 0.002 0.000 1.096 14 E CB 0.187 29.891 29.700 0.007 0.000 1.155 14 E HN 0.207 nan 8.360 nan 0.000 0.458 15 D N 0.761 121.156 120.400 -0.009 0.000 2.481 15 D HA 0.264 4.905 4.640 0.001 0.000 0.244 15 D C -1.778 174.516 176.300 -0.010 0.000 1.057 15 D CA -2.206 51.785 54.000 -0.016 0.000 0.848 15 D CB 1.927 42.710 40.800 -0.029 0.000 1.388 15 D HN -0.121 nan 8.370 nan 0.000 0.475 16 P HA -0.188 nan 4.420 nan 0.000 0.217 16 P C 0.689 177.987 177.300 -0.004 0.000 1.148 16 P CA 1.218 64.315 63.100 -0.004 0.000 0.834 16 P CB 0.157 31.852 31.700 -0.007 0.000 0.783 17 A N -1.373 121.436 122.820 -0.019 0.000 2.119 17 A HA -0.036 4.285 4.320 0.001 0.000 0.217 17 A C 1.812 179.386 177.584 -0.017 0.000 1.153 17 A CA 0.919 52.938 52.037 -0.031 0.000 0.692 17 A CB -1.119 17.838 19.000 -0.071 0.000 0.799 17 A HN 0.177 nan 8.150 nan 0.000 0.458 18 L N -0.246 120.974 121.223 -0.005 0.000 2.741 18 L HA 0.175 4.515 4.340 0.001 0.000 0.237 18 L C 0.093 176.988 176.870 0.043 0.000 1.178 18 L CA -0.304 54.550 54.840 0.024 0.000 0.973 18 L CB 0.029 42.093 42.059 0.009 0.000 1.255 18 L HN 0.173 nan 8.230 nan 0.000 0.498 19 E N 1.105 121.328 120.200 0.038 0.000 2.238 19 E HA 0.270 4.621 4.350 0.001 0.000 0.264 19 E C 1.023 177.649 176.600 0.042 0.000 1.136 19 E CA 0.833 57.253 56.400 0.033 0.000 0.929 19 E CB 0.138 29.853 29.700 0.025 0.000 1.010 19 E HN 0.332 nan 8.360 nan 0.000 0.440 20 G N 2.504 111.326 108.800 0.037 0.000 2.131 20 G HA2 -0.165 3.796 3.960 0.001 0.000 0.223 20 G HA3 -0.165 3.796 3.960 0.001 0.000 0.223 20 G C 0.253 175.176 174.900 0.039 0.000 0.990 20 G CA -0.064 45.056 45.100 0.033 0.000 0.671 20 G HN 0.776 nan 8.290 nan 0.000 0.521 21 A N -0.966 121.886 122.820 0.053 0.000 2.288 21 A HA 0.947 5.268 4.320 0.001 0.000 0.328 21 A C 0.108 177.724 177.584 0.054 0.000 1.123 21 A CA -0.110 51.967 52.037 0.067 0.000 0.861 21 A CB 1.764 20.838 19.000 0.122 0.000 1.272 21 A HN 1.260 nan 8.150 nan 0.000 0.490 22 V N 0.359 120.307 119.914 0.056 0.000 2.581 22 V HA 0.671 4.792 4.120 0.001 0.000 0.303 22 V C -0.064 176.069 176.094 0.066 0.000 1.041 22 V CA -0.421 61.909 62.300 0.051 0.000 0.907 22 V CB 1.474 33.319 31.823 0.038 0.000 0.994 22 V HN 0.764 nan 8.190 nan 0.000 0.442 23 S N 2.035 117.773 115.700 0.064 0.000 2.733 23 S HA 0.627 5.097 4.470 0.001 0.000 0.294 23 S C 0.140 174.786 174.600 0.078 0.000 1.149 23 S CA -0.527 57.716 58.200 0.071 0.000 1.034 23 S CB 1.689 64.928 63.200 0.065 0.000 1.015 23 S HN 1.161 nan 8.310 nan 0.000 0.486 24 G N 1.689 110.536 108.800 0.078 0.000 2.329 24 G HA2 0.554 4.515 3.960 0.001 0.000 0.309 24 G HA3 0.554 4.515 3.960 0.001 0.000 0.309 24 G C -0.818 174.147 174.900 0.108 0.000 1.110 24 G CA -0.431 44.721 45.100 0.087 0.000 0.923 24 G HN 0.594 nan 8.290 nan 0.000 0.430 25 V N 3.475 123.478 119.914 0.150 0.000 2.419 25 V HA 0.373 4.493 4.120 0.001 0.000 0.287 25 V C -0.404 175.844 176.094 0.258 0.000 1.017 25 V CA -0.691 61.719 62.300 0.185 0.000 0.844 25 V CB 1.513 33.436 31.823 0.167 0.000 1.011 25 V HN 0.540 nan 8.190 nan 0.000 0.429 26 V N 5.264 125.295 119.914 0.195 0.000 2.540 26 V HA 0.635 4.756 4.120 0.001 0.000 0.302 26 V C -0.368 175.837 176.094 0.185 0.000 1.035 26 V CA -0.663 61.746 62.300 0.182 0.000 0.873 26 V CB 2.190 34.082 31.823 0.114 0.000 0.992 26 V HN 0.560 nan 8.190 nan 0.000 0.428 27 V N 5.124 125.149 119.914 0.185 0.000 2.531 27 V HA 0.593 4.714 4.120 0.001 0.000 0.301 27 V C -0.498 175.665 176.094 0.116 0.000 1.034 27 V CA -0.563 61.830 62.300 0.155 0.000 0.865 27 V CB 2.108 33.990 31.823 0.099 0.000 0.995 27 V HN 0.606 nan 8.190 nan 0.000 0.424 28 V N 3.170 123.153 119.914 0.116 0.000 2.588 28 V HA 0.402 4.523 4.120 0.001 0.000 0.304 28 V C -0.497 175.667 176.094 0.117 0.000 1.042 28 V CA -0.644 61.715 62.300 0.098 0.000 0.877 28 V CB 2.159 34.034 31.823 0.086 0.000 0.996 28 V HN 0.908 nan 8.190 nan 0.000 0.425 29 D N 3.158 123.624 120.400 0.109 0.000 2.339 29 D HA 0.064 4.705 4.640 0.001 0.000 0.256 29 D C 1.328 177.692 176.300 0.107 0.000 1.214 29 D CA 0.346 54.422 54.000 0.126 0.000 0.877 29 D CB 1.834 42.712 40.800 0.130 0.000 1.111 29 D HN 0.766 nan 8.370 nan 0.000 0.478 30 T N 1.023 115.648 114.554 0.119 0.000 3.088 30 T HA 0.118 4.469 4.350 0.001 0.000 0.259 30 T C 1.613 176.352 174.700 0.066 0.000 1.122 30 T CA 0.582 62.741 62.100 0.099 0.000 1.095 30 T CB 0.236 69.181 68.868 0.129 0.000 0.930 30 T HN 0.275 nan 8.240 nan 0.000 0.508 31 A N 2.302 125.162 122.820 0.065 0.000 1.874 31 A HA 0.079 4.400 4.320 0.001 0.000 0.214 31 A C 2.642 180.249 177.584 0.038 0.000 1.189 31 A CA 1.710 53.773 52.037 0.043 0.000 0.615 31 A CB -1.020 18.005 19.000 0.043 0.000 0.830 31 A HN 0.656 nan 8.150 nan 0.000 0.443 32 T N -5.345 109.238 114.554 0.049 0.000 3.037 32 T HA 0.406 4.757 4.350 0.001 0.000 0.252 32 T C 1.504 176.228 174.700 0.041 0.000 1.073 32 T CA 1.207 63.332 62.100 0.042 0.000 1.091 32 T CB 0.312 69.209 68.868 0.049 0.000 0.935 32 T HN 1.696 nan 8.240 nan 0.000 0.488 33 G N 1.140 109.969 108.800 0.049 0.000 2.199 33 G HA2 -0.254 3.707 3.960 0.001 0.000 0.254 33 G HA3 -0.254 3.707 3.960 0.001 0.000 0.254 33 G C -0.129 174.799 174.900 0.047 0.000 0.982 33 G CA 0.171 45.298 45.100 0.045 0.000 0.632 33 G HN 0.746 nan 8.290 nan 0.000 0.529 34 E N 1.133 121.364 120.200 0.052 0.000 2.465 34 E HA 0.171 4.522 4.350 0.001 0.000 0.260 34 E C 0.151 176.783 176.600 0.053 0.000 0.980 34 E CA 0.054 56.485 56.400 0.051 0.000 0.927 34 E CB 0.194 29.930 29.700 0.061 0.000 0.934 34 E HN 0.478 nan 8.360 nan 0.000 0.459 35 E N 4.278 124.502 120.200 0.039 0.000 2.166 35 E HA 0.020 4.370 4.350 0.001 0.000 0.279 35 E C 0.729 177.347 176.600 0.030 0.000 1.095 35 E CA -0.183 56.239 56.400 0.036 0.000 0.888 35 E CB 0.614 30.325 29.700 0.019 0.000 1.041 35 E HN 0.556 nan 8.360 nan 0.000 0.414 36 L N 3.944 125.190 121.223 0.039 0.000 2.209 36 L HA 0.070 4.411 4.340 0.001 0.000 0.207 36 L C 0.230 177.146 176.870 0.077 0.000 1.094 36 L CA 0.508 55.353 54.840 0.008 0.000 0.790 36 L CB 0.190 42.203 42.059 -0.077 0.000 0.932 36 L HN 0.539 nan 8.230 nan 0.000 0.447 37 Y N -0.965 119.308 120.300 -0.046 0.000 2.480 37 Y HA 0.406 4.957 4.550 0.001 0.000 0.329 37 Y C -0.965 174.930 175.900 -0.007 0.000 1.127 37 Y CA -0.824 57.255 58.100 -0.035 0.000 1.037 37 Y CB 1.969 40.399 38.460 -0.050 0.000 1.320 37 Y HN -0.278 nan 8.280 nan 0.000 0.446 38 S N 5.843 121.335 115.700 -0.346 0.000 2.720 38 S HA 0.639 5.110 4.470 0.001 0.000 0.278 38 S C -1.810 172.632 174.600 -0.263 0.000 1.172 38 S CA -0.658 57.448 58.200 -0.156 0.000 1.019 38 S CB 0.739 63.889 63.200 -0.084 0.000 1.049 38 S HN 0.787 nan 8.310 nan 0.000 0.483 39 R N 3.523 123.992 120.500 -0.052 0.000 2.515 39 R HA 0.342 4.683 4.340 0.001 0.000 0.291 39 R C -1.032 175.297 176.300 0.049 0.000 1.046 39 R CA -0.276 55.817 56.100 -0.011 0.000 0.914 39 R CB 0.625 30.985 30.300 0.101 0.000 1.191 39 R HN 0.700 nan 8.270 nan 0.000 0.435 40 D N 3.107 123.520 120.400 0.022 0.000 2.751 40 D HA -0.159 4.482 4.640 0.001 0.000 0.233 40 D C 0.713 177.038 176.300 0.041 0.000 1.149 40 D CA 1.438 55.457 54.000 0.031 0.000 0.682 40 D CB -0.596 40.229 40.800 0.041 0.000 1.068 40 D HN 0.918 nan 8.370 nan 0.000 0.429 41 G N -0.084 108.739 108.800 0.037 0.000 2.650 41 G HA2 0.103 4.064 3.960 0.001 0.000 0.214 41 G HA3 0.103 4.064 3.960 0.001 0.000 0.214 41 G C 1.402 176.327 174.900 0.041 0.000 1.136 41 G CA 0.740 45.869 45.100 0.048 0.000 0.789 41 G HN 0.422 nan 8.290 nan 0.000 0.536 42 G N -0.430 108.388 108.800 0.029 0.000 3.393 42 G HA2 0.320 4.280 3.960 0.001 0.000 0.255 42 G HA3 0.320 4.280 3.960 0.001 0.000 0.255 42 G C 0.054 174.966 174.900 0.020 0.000 1.097 42 G CA -0.282 44.832 45.100 0.024 0.000 0.780 42 G HN 0.304 nan 8.290 nan 0.000 0.540 43 E N 1.027 121.242 120.200 0.024 0.000 2.289 43 E HA 0.268 4.619 4.350 0.001 0.000 0.278 43 E C 0.233 176.845 176.600 0.020 0.000 1.032 43 E CA -0.154 56.259 56.400 0.021 0.000 0.854 43 E CB 0.492 30.207 29.700 0.026 0.000 1.046 43 E HN 0.237 nan 8.360 nan 0.000 0.409 44 Q N 3.424 123.231 119.800 0.011 0.000 2.293 44 Q HA 0.297 4.638 4.340 0.001 0.000 0.263 44 Q C -0.564 175.441 176.000 0.008 0.000 1.002 44 Q CA 0.132 55.938 55.803 0.005 0.000 0.910 44 Q CB 0.609 29.344 28.738 -0.005 0.000 1.185 44 Q HN 0.428 nan 8.270 nan 0.000 0.401 45 L N 2.066 123.296 121.223 0.012 0.000 2.371 45 L HA 0.438 4.778 4.340 0.001 0.000 0.262 45 L C -0.523 176.354 176.870 0.012 0.000 1.006 45 L CA -1.177 53.673 54.840 0.017 0.000 0.818 45 L CB 1.583 43.661 42.059 0.032 0.000 1.354 45 L HN 0.392 nan 8.230 nan 0.000 0.415 46 L N 4.024 125.252 121.223 0.008 0.000 2.477 46 L HA 0.097 4.438 4.340 0.001 0.000 0.272 46 L C -1.330 175.549 176.870 0.015 0.000 1.157 46 L CA -0.598 54.243 54.840 0.003 0.000 0.889 46 L CB 0.578 42.630 42.059 -0.011 0.000 1.158 46 L HN 0.433 nan 8.230 nan 0.000 0.473 47 P HA 0.010 nan 4.420 nan 0.000 0.239 47 P C 0.791 178.107 177.300 0.026 0.000 1.188 47 P CA 0.919 64.048 63.100 0.048 0.000 0.794 47 P CB 0.776 32.532 31.700 0.092 0.000 0.937 48 A N 0.722 123.541 122.820 -0.001 0.000 5.483 48 A HA -0.276 4.044 4.320 0.001 0.000 0.309 48 A C 1.799 179.377 177.584 -0.010 0.000 1.898 48 A CA 1.844 53.861 52.037 -0.034 0.000 0.716 48 A CB -2.453 16.512 19.000 -0.057 0.000 1.309 48 A HN 0.189 nan 8.150 nan 0.000 0.380 49 S N 0.905 116.584 115.700 -0.035 0.000 2.603 49 S HA -0.049 4.422 4.470 0.001 0.000 0.229 49 S C 1.293 175.885 174.600 -0.013 0.000 0.972 49 S CA 1.092 59.279 58.200 -0.023 0.000 0.935 49 S CB -0.663 62.499 63.200 -0.063 0.000 0.769 49 S HN 0.607 nan 8.310 nan 0.000 0.536 50 N N 1.427 120.130 118.700 0.006 0.000 2.519 50 N HA 0.003 4.744 4.740 0.001 0.000 0.186 50 N C 1.338 176.937 175.510 0.148 0.000 1.062 50 N CA 0.435 53.501 53.050 0.027 0.000 0.910 50 N CB -0.292 38.213 38.487 0.031 0.000 0.958 50 N HN 0.321 nan 8.380 nan 0.000 0.445 51 M N 0.633 120.344 119.600 0.185 0.000 2.374 51 M HA -0.007 4.473 4.480 0.001 0.000 0.264 51 M C 1.293 177.771 176.300 0.296 0.000 1.067 51 M CA 1.385 56.868 55.300 0.304 0.000 1.103 51 M CB 0.106 32.821 32.600 0.192 0.000 1.402 51 M HN -0.093 nan 8.290 nan 0.000 0.444 52 K N -0.289 120.211 120.400 0.167 0.000 2.211 52 K HA -0.082 4.239 4.320 0.001 0.000 0.203 52 K C 1.796 178.453 176.600 0.095 0.000 1.050 52 K CA 1.090 57.467 56.287 0.149 0.000 0.945 52 K CB -0.367 32.099 32.500 -0.056 0.000 0.732 52 K HN 0.394 nan 8.250 nan 0.000 0.451 53 L N -0.134 121.100 121.223 0.018 0.000 2.013 53 L HA -0.229 4.112 4.340 0.001 0.000 0.212 53 L C 2.185 179.136 176.870 0.135 0.000 1.073 53 L CA 1.633 56.476 54.840 0.006 0.000 0.753 53 L CB -0.507 41.447 42.059 -0.174 0.000 0.890 53 L HN 0.118 nan 8.230 nan 0.000 0.432 54 F N -0.496 119.580 119.950 0.209 0.000 2.186 54 F HA -0.178 4.350 4.527 0.001 0.000 0.299 54 F C 2.642 178.547 175.800 0.175 0.000 1.090 54 F CA 1.537 59.643 58.000 0.176 0.000 1.307 54 F CB -0.860 38.212 39.000 0.120 0.000 1.019 54 F HN 0.005 nan 8.300 nan 0.000 0.489 55 T N -0.329 114.442 114.554 0.362 0.000 2.812 55 T HA -0.097 4.254 4.350 0.001 0.000 0.264 55 T C 2.289 177.155 174.700 0.277 0.000 1.042 55 T CA 1.124 63.401 62.100 0.296 0.000 1.140 55 T CB -0.571 68.497 68.868 0.334 0.000 0.870 55 T HN 0.278 nan 8.240 nan 0.000 0.445 56 A N 1.517 124.548 122.820 0.351 0.000 1.898 56 A HA 0.215 4.536 4.320 0.001 0.000 0.216 56 A C 2.624 180.309 177.584 0.168 0.000 1.181 56 A CA 1.725 53.969 52.037 0.346 0.000 0.620 56 A CB -1.072 18.117 19.000 0.316 0.000 0.819 56 A HN 0.493 nan 8.150 nan 0.000 0.442 57 A N -0.041 122.899 122.820 0.200 0.000 1.855 57 A HA 0.183 4.504 4.320 0.001 0.000 0.215 57 A C 2.536 180.010 177.584 -0.183 0.000 1.191 57 A CA 2.092 54.008 52.037 -0.202 0.000 0.613 57 A CB -1.157 17.762 19.000 -0.133 0.000 0.829 57 A HN 1.092 nan 8.150 nan 0.000 0.442 58 A N -0.152 122.676 122.820 0.014 0.000 1.940 58 A HA 0.098 4.419 4.320 0.001 0.000 0.219 58 A C 2.471 180.036 177.584 -0.032 0.000 1.176 58 A CA 2.263 54.316 52.037 0.028 0.000 0.631 58 A CB -0.969 18.085 19.000 0.090 0.000 0.814 58 A HN 1.089 nan 8.150 nan 0.000 0.446 59 A N -0.463 122.337 122.820 -0.035 0.000 1.930 59 A HA 0.018 4.338 4.320 0.001 0.000 0.217 59 A C 2.135 179.630 177.584 -0.148 0.000 1.175 59 A CA 1.375 53.379 52.037 -0.054 0.000 0.627 59 A CB -0.529 18.476 19.000 0.009 0.000 0.815 59 A HN 0.470 nan 8.150 nan 0.000 0.443 60 L N -0.637 120.392 121.223 -0.324 0.000 2.131 60 L HA -0.154 4.187 4.340 0.001 0.000 0.210 60 L C 2.633 179.269 176.870 -0.391 0.000 1.092 60 L CA 1.081 55.574 54.840 -0.578 0.000 0.759 60 L CB -0.384 40.810 42.059 -1.442 0.000 0.903 60 L HN 0.361 nan 8.230 nan 0.000 0.435 61 E N -0.343 119.732 120.200 -0.209 0.000 2.046 61 E HA -0.129 4.222 4.350 0.001 0.000 0.190 61 E C 2.310 178.929 176.600 0.033 0.000 0.982 61 E CA 1.141 57.580 56.400 0.066 0.000 0.800 61 E CB -0.089 29.686 29.700 0.124 0.000 0.756 61 E HN 0.287 nan 8.360 nan 0.000 0.449 62 V N 1.065 120.968 119.914 -0.018 0.000 2.331 62 V HA -0.125 3.996 4.120 0.001 0.000 0.242 62 V C 2.398 178.460 176.094 -0.055 0.000 1.034 62 V CA 1.101 63.389 62.300 -0.021 0.000 1.027 62 V CB -0.296 31.511 31.823 -0.027 0.000 0.667 62 V HN 0.138 nan 8.190 nan 0.000 0.457 63 L N -0.284 120.868 121.223 -0.117 0.000 2.249 63 L HA 0.470 4.810 4.340 0.001 0.000 0.207 63 L C 1.120 177.946 176.870 -0.073 0.000 1.090 63 L CA 0.846 55.544 54.840 -0.237 0.000 0.802 63 L CB -0.512 41.269 42.059 -0.463 0.000 0.947 63 L HN 0.532 nan 8.230 nan 0.000 0.453 64 G N -0.717 108.060 108.800 -0.037 0.000 2.719 64 G HA2 -0.068 3.893 3.960 0.001 0.000 0.686 64 G HA3 -0.068 3.893 3.960 0.001 0.000 0.686 64 G C 0.501 175.424 174.900 0.039 0.000 1.201 64 G CA -0.358 44.758 45.100 0.028 0.000 0.768 64 G HN 0.185 nan 8.290 nan 0.000 0.629 65 A N 0.475 123.334 122.820 0.064 0.000 2.076 65 A HA 0.044 4.365 4.320 0.001 0.000 0.220 65 A C 1.920 179.552 177.584 0.080 0.000 1.160 65 A CA 2.520 54.608 52.037 0.085 0.000 0.653 65 A CB -0.279 18.806 19.000 0.143 0.000 0.801 65 A HN 1.442 nan 8.150 nan 0.000 0.455 66 D N -2.305 118.135 120.400 0.067 0.000 2.369 66 D HA 0.083 4.724 4.640 0.001 0.000 0.211 66 D C 0.433 176.728 176.300 -0.008 0.000 1.077 66 D CA -0.353 53.666 54.000 0.032 0.000 0.842 66 D CB -1.012 39.801 40.800 0.022 0.000 0.947 66 D HN 0.571 nan 8.370 nan 0.000 0.509 67 H N 1.057 120.065 119.070 -0.103 0.000 2.848 67 H HA 0.341 4.898 4.556 0.001 0.000 0.341 67 H C 0.169 175.301 175.328 -0.327 0.000 1.060 67 H CA 0.332 56.245 56.048 -0.226 0.000 1.444 67 H CB 0.640 30.247 29.762 -0.259 0.000 1.446 67 H HN 0.084 nan 8.280 nan 0.000 0.583 68 S N 3.394 118.640 115.700 -0.757 0.000 2.704 68 S HA 0.602 5.073 4.470 0.001 0.000 0.296 68 S C -1.291 172.792 174.600 -0.860 0.000 1.138 68 S CA -0.998 56.852 58.200 -0.582 0.000 0.875 68 S CB 1.411 64.451 63.200 -0.267 0.000 1.151 68 S HN 0.398 nan 8.310 nan 0.000 0.500 69 F N 0.145 119.978 119.950 -0.195 0.000 2.507 69 F HA 0.708 5.235 4.527 0.001 0.000 0.325 69 F C 0.827 176.502 175.800 -0.208 0.000 1.116 69 F CA -0.464 57.433 58.000 -0.171 0.000 0.930 69 F CB 2.138 41.086 39.000 -0.088 0.000 1.146 69 F HN 0.959 nan 8.300 nan 0.000 0.447 70 G N 0.901 109.641 108.800 -0.101 0.000 2.389 70 G HA2 0.611 4.572 3.960 0.001 0.000 0.328 70 G HA3 0.611 4.572 3.960 0.001 0.000 0.328 70 G C -1.086 173.734 174.900 -0.133 0.000 1.133 70 G CA -0.483 44.529 45.100 -0.147 0.000 0.891 70 G HN 0.527 nan 8.290 nan 0.000 0.485 71 T N 1.220 115.723 114.554 -0.084 0.000 2.876 71 T HA 0.573 4.923 4.350 0.001 0.000 0.289 71 T C -0.672 173.975 174.700 -0.088 0.000 1.014 71 T CA -0.510 61.534 62.100 -0.093 0.000 0.986 71 T CB 2.275 71.110 68.868 -0.054 0.000 1.021 71 T HN 0.555 nan 8.240 nan 0.000 0.458 72 E N 0.881 121.014 120.200 -0.110 0.000 2.393 72 E HA 0.656 5.007 4.350 0.001 0.000 0.273 72 E C -1.408 175.143 176.600 -0.081 0.000 0.918 72 E CA -0.939 55.415 56.400 -0.078 0.000 0.773 72 E CB 2.608 32.268 29.700 -0.065 0.000 1.275 72 E HN 0.254 nan 8.360 nan 0.000 0.451 73 V N 1.357 121.257 119.914 -0.023 0.000 2.444 73 V HA 0.672 4.793 4.120 0.001 0.000 0.294 73 V C -0.689 175.478 176.094 0.121 0.000 1.022 73 V CA -0.557 61.765 62.300 0.037 0.000 0.850 73 V CB 1.273 33.139 31.823 0.071 0.000 0.992 73 V HN 0.729 nan 8.190 nan 0.000 0.426 74 A N 3.949 126.893 122.820 0.207 0.000 2.386 74 A HA 1.021 5.342 4.320 0.001 0.000 0.311 74 A C -0.261 177.574 177.584 0.418 0.000 1.068 74 A CA -0.205 51.994 52.037 0.269 0.000 0.743 74 A CB 1.835 20.997 19.000 0.269 0.000 1.258 74 A HN 1.337 nan 8.150 nan 0.000 0.429 75 A N 0.549 123.519 122.820 0.250 0.000 2.430 75 A HA 0.687 5.008 4.320 0.001 0.000 0.300 75 A C 0.678 177.972 177.584 -0.482 0.000 1.124 75 A CA 0.083 52.156 52.037 0.061 0.000 0.766 75 A CB 0.945 19.959 19.000 0.024 0.000 1.328 75 A HN 0.984 nan 8.150 nan 0.000 0.424 76 E N 0.134 119.611 120.200 -1.204 0.000 2.118 76 E HA -0.090 4.261 4.350 0.001 0.000 0.195 76 E C 0.534 176.769 176.600 -0.608 0.000 0.992 76 E CA 1.556 57.061 56.400 -1.491 0.000 0.804 76 E CB 0.031 28.865 29.700 -1.442 0.000 0.741 76 E HN 0.784 nan 8.360 nan 0.000 0.458 77 S N -1.709 113.768 115.700 -0.372 0.000 2.588 77 S HA 0.665 5.136 4.470 0.001 0.000 0.269 77 S C -0.568 173.958 174.600 -0.123 0.000 1.157 77 S CA -0.734 57.347 58.200 -0.199 0.000 0.824 77 S CB 1.259 64.357 63.200 -0.170 0.000 1.126 77 S HN 0.269 nan 8.310 nan 0.000 0.464 78 A N 2.108 124.883 122.820 -0.076 0.000 2.547 78 A HA 0.530 4.851 4.320 0.001 0.000 0.233 78 A C -2.041 175.519 177.584 -0.040 0.000 1.067 78 A CA -0.656 51.355 52.037 -0.043 0.000 0.763 78 A CB -1.083 17.899 19.000 -0.031 0.000 1.007 78 A HN 0.730 nan 8.150 nan 0.000 0.506 79 P HA 0.108 nan 4.420 nan 0.000 0.265 79 P C 0.623 177.911 177.300 -0.020 0.000 1.193 79 P CA 0.622 63.712 63.100 -0.017 0.000 0.765 79 P CB 0.206 31.902 31.700 -0.006 0.000 0.823 80 G N 2.457 111.245 108.800 -0.020 0.000 2.647 80 G HA2 -0.053 3.908 3.960 0.001 0.000 0.271 80 G HA3 -0.053 3.908 3.960 0.001 0.000 0.271 80 G C 1.084 175.976 174.900 -0.013 0.000 1.300 80 G CA -0.427 44.662 45.100 -0.018 0.000 0.997 80 G HN 0.508 nan 8.290 nan 0.000 0.533 81 R N -0.913 119.580 120.500 -0.012 0.000 2.127 81 R HA -0.035 4.306 4.340 0.001 0.000 0.238 81 R C 2.238 178.534 176.300 -0.008 0.000 1.134 81 R CA 1.197 57.291 56.100 -0.009 0.000 0.975 81 R CB -0.081 30.214 30.300 -0.009 0.000 0.865 81 R HN 0.457 nan 8.270 nan 0.000 0.447 82 R N -0.773 119.723 120.500 -0.007 0.000 2.391 82 R HA 0.066 4.407 4.340 0.001 0.000 0.249 82 R C 0.152 176.448 176.300 -0.006 0.000 0.957 82 R CA 0.600 56.696 56.100 -0.006 0.000 1.093 82 R CB 0.324 30.621 30.300 -0.005 0.000 1.156 82 R HN 0.474 nan 8.270 nan 0.000 0.526 83 G N 1.050 109.846 108.800 -0.007 0.000 2.179 83 G HA2 -0.303 3.658 3.960 0.001 0.000 0.257 83 G HA3 -0.303 3.658 3.960 0.001 0.000 0.257 83 G C -0.288 174.609 174.900 -0.004 0.000 1.010 83 G CA 0.317 45.413 45.100 -0.006 0.000 0.736 83 G HN 0.461 nan 8.290 nan 0.000 0.513 84 E N -0.872 119.325 120.200 -0.004 0.000 2.242 84 E HA 0.625 4.976 4.350 0.001 0.000 0.275 84 E C 0.128 176.729 176.600 0.001 0.000 1.002 84 E CA -0.694 55.706 56.400 0.000 0.000 0.841 84 E CB 2.172 31.873 29.700 0.001 0.000 1.109 84 E HN 0.174 nan 8.360 nan 0.000 0.394 85 V N 1.661 121.582 119.914 0.012 0.000 3.141 85 V HA 0.130 4.251 4.120 0.001 0.000 0.312 85 V C 0.404 176.522 176.094 0.041 0.000 1.157 85 V CA -0.843 61.467 62.300 0.016 0.000 1.041 85 V CB 1.768 33.608 31.823 0.027 0.000 1.071 85 V HN 0.611 nan 8.190 nan 0.000 0.441 86 Q N 0.885 120.719 119.800 0.056 0.000 1.808 86 Q HA 0.130 4.471 4.340 0.001 0.000 0.286 86 Q C -0.023 176.073 176.000 0.159 0.000 0.955 86 Q CA 1.311 57.173 55.803 0.099 0.000 0.877 86 Q CB -0.011 28.794 28.738 0.111 0.000 0.917 86 Q HN 0.809 nan 8.270 nan 0.000 0.436 87 D N -0.058 120.510 120.400 0.279 0.000 2.193 87 D HA 0.400 5.040 4.640 0.001 0.000 0.249 87 D C -1.069 175.492 176.300 0.435 0.000 1.034 87 D CA -0.318 53.903 54.000 0.368 0.000 0.902 87 D CB 1.420 42.560 40.800 0.567 0.000 1.182 87 D HN 0.188 nan 8.370 nan 0.000 0.436 88 L N 2.195 123.590 121.223 0.287 0.000 2.386 88 L HA 0.408 4.749 4.340 0.001 0.000 0.271 88 L C -1.772 175.210 176.870 0.186 0.000 0.993 88 L CA -0.649 54.382 54.840 0.319 0.000 0.819 88 L CB 1.404 43.601 42.059 0.230 0.000 1.294 88 L HN 0.246 nan 8.230 nan 0.000 0.414 89 Y N 4.884 125.345 120.300 0.268 0.000 2.328 89 Y HA 0.518 5.068 4.550 0.001 0.000 0.333 89 Y C -0.507 175.428 175.900 0.058 0.000 0.958 89 Y CA -0.663 57.533 58.100 0.159 0.000 1.167 89 Y CB 1.843 40.339 38.460 0.060 0.000 1.151 89 Y HN 0.458 nan 8.280 nan 0.000 0.470 90 L N 5.603 126.874 121.223 0.081 0.000 2.283 90 L HA 0.590 4.931 4.340 0.001 0.000 0.287 90 L C -1.101 175.736 176.870 -0.055 0.000 1.073 90 L CA -0.320 54.441 54.840 -0.132 0.000 0.822 90 L CB 0.281 42.134 42.059 -0.342 0.000 1.186 90 L HN 0.379 nan 8.230 nan 0.000 0.436 91 V N 5.216 125.086 119.914 -0.074 0.000 2.357 91 V HA 0.651 4.772 4.120 0.001 0.000 0.284 91 V C 0.734 176.755 176.094 -0.122 0.000 1.018 91 V CA -0.386 61.877 62.300 -0.060 0.000 0.841 91 V CB 1.006 32.800 31.823 -0.049 0.000 0.991 91 V HN 0.895 nan 8.190 nan 0.000 0.437 92 G N 3.590 112.317 108.800 -0.122 0.000 2.332 92 G HA2 0.557 4.518 3.960 0.001 0.000 0.310 92 G HA3 0.557 4.518 3.960 0.001 0.000 0.310 92 G C 0.034 174.782 174.900 -0.253 0.000 1.123 92 G CA -0.628 44.372 45.100 -0.166 0.000 0.873 92 G HN 0.663 nan 8.290 nan 0.000 0.460 93 R N 1.686 121.974 120.500 -0.353 0.000 2.903 93 R HA 0.337 4.677 4.340 0.001 0.000 0.363 93 R C 1.032 177.113 176.300 -0.365 0.000 1.161 93 R CA 0.256 55.937 56.100 -0.698 0.000 1.109 93 R CB 0.778 30.448 30.300 -1.050 0.000 1.399 93 R HN 0.975 nan 8.270 nan 0.000 0.587 94 G N 0.778 109.410 108.800 -0.280 0.000 2.144 94 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 94 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 94 G C -0.295 174.400 174.900 -0.342 0.000 0.988 94 G CA -0.214 44.759 45.100 -0.213 0.000 0.659 94 G HN 0.420 nan 8.290 nan 0.000 0.522 95 D N 1.068 121.324 120.400 -0.240 0.000 2.382 95 D HA 0.352 4.993 4.640 0.001 0.000 0.259 95 D C -0.537 175.581 176.300 -0.303 0.000 1.224 95 D CA -1.413 52.416 54.000 -0.285 0.000 0.894 95 D CB 1.361 42.118 40.800 -0.072 0.000 1.127 95 D HN 0.212 nan 8.370 nan 0.000 0.487 96 P HA 0.058 nan 4.420 nan 0.000 0.255 96 P C 0.327 177.488 177.300 -0.232 0.000 1.248 96 P CA 0.347 63.265 63.100 -0.304 0.000 0.807 96 P CB 0.190 31.558 31.700 -0.555 0.000 1.150 97 T N -3.110 111.233 114.554 -0.351 0.000 3.380 97 T HA 0.316 4.667 4.350 0.001 0.000 0.289 97 T C -0.088 174.496 174.700 -0.195 0.000 1.012 97 T CA -0.535 61.221 62.100 -0.573 0.000 0.944 97 T CB -0.795 67.327 68.868 -1.243 0.000 1.172 97 T HN -0.153 nan 8.240 nan 0.000 0.502 98 L N 3.875 125.072 121.223 -0.044 0.000 2.295 98 L HA 0.556 4.897 4.340 0.001 0.000 0.288 98 L C 0.436 177.334 176.870 0.046 0.000 1.079 98 L CA -0.003 54.830 54.840 -0.011 0.000 0.830 98 L CB 0.413 42.452 42.059 -0.033 0.000 1.200 98 L HN 0.510 nan 8.230 nan 0.000 0.438 99 S N 3.527 119.255 115.700 0.047 0.000 2.672 99 S HA 0.628 5.099 4.470 0.001 0.000 0.276 99 S C 1.284 175.888 174.600 0.006 0.000 1.207 99 S CA -0.215 58.027 58.200 0.070 0.000 1.002 99 S CB 1.507 64.771 63.200 0.106 0.000 0.998 99 S HN 0.768 nan 8.310 nan 0.000 0.542 100 A N 0.465 123.295 122.820 0.017 0.000 1.972 100 A HA -0.041 4.280 4.320 0.001 0.000 0.219 100 A C 2.016 179.600 177.584 -0.000 0.000 1.169 100 A CA 1.824 53.868 52.037 0.013 0.000 0.635 100 A CB -1.150 17.859 19.000 0.016 0.000 0.810 100 A HN 0.986 nan 8.150 nan 0.000 0.446 101 E N 0.824 121.017 120.200 -0.012 0.000 2.150 101 E HA -0.165 4.186 4.350 0.001 0.000 0.193 101 E C 1.141 177.714 176.600 -0.046 0.000 0.985 101 E CA 1.573 57.962 56.400 -0.018 0.000 0.814 101 E CB -0.248 29.446 29.700 -0.011 0.000 0.752 101 E HN 0.544 nan 8.360 nan 0.000 0.466 102 D N 0.190 120.526 120.400 -0.108 0.000 2.117 102 D HA -0.123 4.518 4.640 0.001 0.000 0.198 102 D C 2.003 178.237 176.300 -0.111 0.000 0.982 102 D CA 0.948 54.801 54.000 -0.244 0.000 0.828 102 D CB -0.195 40.289 40.800 -0.527 0.000 0.967 102 D HN 0.294 nan 8.370 nan 0.000 0.464 103 L N 0.488 121.698 121.223 -0.022 0.000 2.083 103 L HA -0.162 4.178 4.340 0.001 0.000 0.209 103 L C 2.152 179.138 176.870 0.193 0.000 1.083 103 L CA 1.113 56.033 54.840 0.133 0.000 0.752 103 L CB -0.357 41.810 42.059 0.180 0.000 0.899 103 L HN -0.037 nan 8.230 nan 0.000 0.433 104 D N 0.126 120.570 120.400 0.073 0.000 2.097 104 D HA -0.164 4.477 4.640 0.001 0.000 0.197 104 D C 2.231 178.557 176.300 0.043 0.000 0.984 104 D CA 1.274 55.295 54.000 0.036 0.000 0.826 104 D CB 0.140 40.943 40.800 0.004 0.000 0.973 104 D HN 0.224 nan 8.370 nan 0.000 0.460 105 A N 0.125 122.965 122.820 0.033 0.000 1.917 105 A HA -0.212 4.109 4.320 0.001 0.000 0.219 105 A C 2.310 179.938 177.584 0.074 0.000 1.182 105 A CA 1.654 53.714 52.037 0.038 0.000 0.633 105 A CB -0.687 18.326 19.000 0.021 0.000 0.819 105 A HN 0.351 nan 8.150 nan 0.000 0.448 106 M N -0.983 118.687 119.600 0.117 0.000 2.200 106 M HA -0.091 4.390 4.480 0.001 0.000 0.265 106 M C 2.500 178.956 176.300 0.260 0.000 1.066 106 M CA 1.182 56.593 55.300 0.185 0.000 1.127 106 M CB -0.308 32.393 32.600 0.168 0.000 1.379 106 M HN 0.503 nan 8.290 nan 0.000 0.420 107 A N 0.316 123.281 122.820 0.242 0.000 1.930 107 A HA -0.039 4.282 4.320 0.001 0.000 0.217 107 A C 2.313 179.902 177.584 0.009 0.000 1.175 107 A CA 1.781 53.834 52.037 0.026 0.000 0.627 107 A CB -0.802 18.103 19.000 -0.159 0.000 0.815 107 A HN 0.491 nan 8.150 nan 0.000 0.443 108 A N -0.145 122.690 122.820 0.026 0.000 1.930 108 A HA -0.150 4.171 4.320 0.001 0.000 0.217 108 A C 1.895 179.495 177.584 0.028 0.000 1.175 108 A CA 1.591 53.637 52.037 0.015 0.000 0.627 108 A CB -0.454 18.555 19.000 0.015 0.000 0.815 108 A HN 0.645 nan 8.150 nan 0.000 0.443 109 E N -0.386 119.846 120.200 0.052 0.000 2.072 109 E HA -0.116 4.235 4.350 0.001 0.000 0.191 109 E C 1.976 178.609 176.600 0.055 0.000 0.985 109 E CA 1.250 57.682 56.400 0.053 0.000 0.801 109 E CB -0.270 29.470 29.700 0.067 0.000 0.750 109 E HN 0.384 nan 8.360 nan 0.000 0.452 110 V N 1.456 121.416 119.914 0.077 0.000 2.343 110 V HA -0.294 3.827 4.120 0.001 0.000 0.247 110 V C 2.312 178.424 176.094 0.030 0.000 1.051 110 V CA 1.928 64.272 62.300 0.072 0.000 1.036 110 V CB -0.709 31.182 31.823 0.113 0.000 0.654 110 V HN 0.328 nan 8.190 nan 0.000 0.451 111 A N 0.025 122.849 122.820 0.008 0.000 1.873 111 A HA -0.065 4.256 4.320 0.001 0.000 0.215 111 A C 2.363 179.949 177.584 0.003 0.000 1.186 111 A CA 1.823 53.857 52.037 -0.005 0.000 0.616 111 A CB -0.810 18.178 19.000 -0.020 0.000 0.823 111 A HN 0.592 nan 8.150 nan 0.000 0.442 112 A N 0.217 123.042 122.820 0.009 0.000 2.178 112 A HA -0.001 4.320 4.320 0.001 0.000 0.218 112 A C 2.181 179.772 177.584 0.011 0.000 1.157 112 A CA 1.859 53.901 52.037 0.009 0.000 0.689 112 A CB -0.738 18.270 19.000 0.013 0.000 0.787 112 A HN 1.012 nan 8.150 nan 0.000 0.465 113 S N -2.324 113.385 115.700 0.015 0.000 2.575 113 S HA 0.401 4.872 4.470 0.001 0.000 0.215 113 S C 1.289 175.894 174.600 0.008 0.000 0.966 113 S CA 0.971 59.179 58.200 0.014 0.000 0.911 113 S CB -0.157 63.057 63.200 0.023 0.000 0.780 113 S HN 1.818 nan 8.310 nan 0.000 0.514 114 G N 0.285 109.088 108.800 0.005 0.000 2.176 114 G HA2 -0.220 3.741 3.960 0.001 0.000 0.232 114 G HA3 -0.220 3.741 3.960 0.001 0.000 0.232 114 G C -0.028 174.872 174.900 -0.001 0.000 0.986 114 G CA -0.162 44.938 45.100 0.000 0.000 0.643 114 G HN 0.674 nan 8.290 nan 0.000 0.522 115 V N 1.014 120.929 119.914 0.003 0.000 2.479 115 V HA 0.370 4.490 4.120 0.001 0.000 0.281 115 V C 1.562 177.652 176.094 -0.008 0.000 1.031 115 V CA 1.075 63.377 62.300 0.002 0.000 1.038 115 V CB 1.313 33.144 31.823 0.012 0.000 0.981 115 V HN 0.433 nan 8.190 nan 0.000 0.478 116 R N 2.355 122.849 120.500 -0.009 0.000 2.287 116 R HA 0.196 4.537 4.340 0.001 0.000 0.197 116 R C -0.121 176.168 176.300 -0.017 0.000 0.900 116 R CA 0.492 56.583 56.100 -0.015 0.000 1.052 116 R CB 0.762 31.055 30.300 -0.012 0.000 1.117 116 R HN 0.785 nan 8.270 nan 0.000 0.568 117 T N 0.219 114.767 114.554 -0.011 0.000 3.032 117 T HA 0.268 4.619 4.350 0.001 0.000 0.312 117 T C -1.147 173.553 174.700 -0.001 0.000 1.078 117 T CA -0.549 61.545 62.100 -0.010 0.000 1.028 117 T CB 2.602 71.466 68.868 -0.007 0.000 1.091 117 T HN -0.239 nan 8.240 nan 0.000 0.457 118 V N 3.820 123.732 119.914 -0.002 0.000 2.353 118 V HA 0.283 4.404 4.120 0.001 0.000 0.264 118 V C 1.514 177.615 176.094 0.012 0.000 1.049 118 V CA -0.239 62.070 62.300 0.014 0.000 0.896 118 V CB 0.774 32.604 31.823 0.010 0.000 1.025 118 V HN 0.786 nan 8.190 nan 0.000 0.475 119 R N 3.527 124.042 120.500 0.024 0.000 2.119 119 R HA 0.120 4.461 4.340 0.001 0.000 0.222 119 R C 1.395 177.713 176.300 0.030 0.000 1.088 119 R CA 1.104 57.217 56.100 0.022 0.000 0.984 119 R CB 0.030 30.345 30.300 0.024 0.000 0.884 119 R HN 0.834 nan 8.270 nan 0.000 0.447 120 G N -0.754 108.076 108.800 0.050 0.000 2.714 120 G HA2 0.114 4.075 3.960 0.001 0.000 0.197 120 G HA3 0.114 4.075 3.960 0.001 0.000 0.197 120 G C -0.776 174.130 174.900 0.010 0.000 1.449 120 G CA -0.531 44.606 45.100 0.061 0.000 1.065 120 G HN 0.136 nan 8.290 nan 0.000 0.575 121 D N -0.482 119.908 120.400 -0.017 0.000 2.332 121 D HA 0.360 5.001 4.640 0.001 0.000 0.252 121 D C -0.760 175.386 176.300 -0.257 0.000 1.050 121 D CA -0.276 53.594 54.000 -0.218 0.000 0.970 121 D CB 2.540 43.057 40.800 -0.472 0.000 1.141 121 D HN 0.103 nan 8.370 nan 0.000 0.485 122 L N 1.730 122.766 121.223 -0.313 0.000 2.282 122 L HA 0.311 4.651 4.340 0.001 0.000 0.288 122 L C -1.580 175.042 176.870 -0.412 0.000 1.033 122 L CA -0.321 54.384 54.840 -0.225 0.000 0.807 122 L CB 0.442 42.465 42.059 -0.059 0.000 1.209 122 L HN 0.226 nan 8.230 nan 0.000 0.423 123 Y N 3.611 123.721 120.300 -0.316 0.000 2.409 123 Y HA 0.740 5.291 4.550 0.001 0.000 0.339 123 Y C 0.315 176.112 175.900 -0.172 0.000 1.033 123 Y CA -0.700 57.197 58.100 -0.338 0.000 1.094 123 Y CB 1.943 39.952 38.460 -0.752 0.000 1.210 123 Y HN 0.731 nan 8.280 nan 0.000 0.456 124 A N 2.168 125.047 122.820 0.097 0.000 2.260 124 A HA 0.381 4.702 4.320 0.001 0.000 0.314 124 A C -1.026 176.626 177.584 0.114 0.000 1.257 124 A CA -0.538 51.545 52.037 0.078 0.000 0.871 124 A CB 0.298 19.326 19.000 0.047 0.000 1.166 124 A HN 0.667 nan 8.150 nan 0.000 0.522 125 D N 2.620 123.083 120.400 0.106 0.000 2.454 125 D HA 0.232 4.873 4.640 0.001 0.000 0.225 125 D C -0.536 175.789 176.300 0.041 0.000 1.081 125 D CA -0.231 53.833 54.000 0.105 0.000 0.864 125 D CB 1.126 42.007 40.800 0.136 0.000 1.040 125 D HN 0.550 nan 8.370 nan 0.000 0.517 126 D N 1.339 121.767 120.400 0.046 0.000 2.462 126 D HA -0.075 4.566 4.640 0.001 0.000 0.221 126 D C 1.182 177.516 176.300 0.058 0.000 1.173 126 D CA -0.125 53.890 54.000 0.026 0.000 0.831 126 D CB -0.260 40.557 40.800 0.027 0.000 1.001 126 D HN 0.280 nan 8.370 nan 0.000 0.499 127 T N -3.775 110.821 114.554 0.070 0.000 3.155 127 T HA -0.140 4.211 4.350 0.001 0.000 0.264 127 T C 1.306 176.084 174.700 0.131 0.000 1.160 127 T CA -0.090 62.056 62.100 0.076 0.000 1.075 127 T CB -0.967 67.926 68.868 0.041 0.000 0.921 127 T HN 0.431 nan 8.240 nan 0.000 0.533 128 W N 0.768 122.021 121.300 -0.079 0.000 2.467 128 W HA 0.162 4.822 4.660 0.001 0.000 0.275 128 W C -0.739 175.846 176.519 0.111 0.000 1.239 128 W CA -0.056 57.243 57.345 -0.076 0.000 1.266 128 W CB 0.128 29.452 29.460 -0.226 0.000 1.112 128 W HN 0.133 nan 8.180 nan 0.000 0.576 129 F N 1.218 121.139 119.950 -0.049 0.000 2.572 129 F HA 0.274 4.802 4.527 0.001 0.000 0.342 129 F C 0.658 176.373 175.800 -0.142 0.000 1.064 129 F CA -1.956 55.931 58.000 -0.188 0.000 1.008 129 F CB -0.663 38.244 39.000 -0.155 0.000 1.303 129 F HN -0.411 nan 8.300 nan 0.000 0.492 130 D N -0.115 120.292 120.400 0.011 0.000 2.461 130 D HA -0.018 4.623 4.640 0.001 0.000 0.231 130 D C 0.759 177.070 176.300 0.018 0.000 1.208 130 D CA 0.558 54.537 54.000 -0.036 0.000 0.879 130 D CB 0.503 41.218 40.800 -0.141 0.000 1.220 130 D HN 0.458 nan 8.370 nan 0.000 0.480 131 S N -0.113 115.601 115.700 0.023 0.000 2.614 131 S HA 0.055 4.526 4.470 0.001 0.000 0.230 131 S C 0.452 175.085 174.600 0.056 0.000 0.952 131 S CA -0.498 57.730 58.200 0.046 0.000 0.949 131 S CB 0.052 63.281 63.200 0.048 0.000 0.786 131 S HN 0.417 nan 8.310 nan 0.000 0.478 132 E N 1.729 121.958 120.200 0.048 0.000 1.996 132 E HA 0.218 4.569 4.350 0.001 0.000 0.280 132 E C 0.493 177.211 176.600 0.196 0.000 1.092 132 E CA -0.496 55.980 56.400 0.127 0.000 0.862 132 E CB 0.346 30.158 29.700 0.187 0.000 1.066 132 E HN 0.177 nan 8.360 nan 0.000 0.396 133 R N 2.418 123.030 120.500 0.188 0.000 2.119 133 R HA 0.152 4.493 4.340 0.001 0.000 0.222 133 R C 0.441 176.939 176.300 0.330 0.000 1.088 133 R CA 0.720 56.948 56.100 0.213 0.000 0.984 133 R CB -0.188 30.212 30.300 0.166 0.000 0.884 133 R HN 0.418 nan 8.270 nan 0.000 0.447 134 L N -0.656 120.699 121.223 0.220 0.000 2.393 134 L HA 0.410 4.751 4.340 0.001 0.000 0.260 134 L C -0.334 176.178 176.870 -0.595 0.000 1.002 134 L CA -1.074 53.731 54.840 -0.058 0.000 0.818 134 L CB 2.426 44.575 42.059 0.150 0.000 1.369 134 L HN -0.367 nan 8.230 nan 0.000 0.412 135 V N 1.012 119.973 119.914 -1.589 0.000 2.811 135 V HA -0.015 4.105 4.120 0.001 0.000 0.302 135 V C 0.690 176.344 176.094 -0.735 0.000 1.063 135 V CA 0.080 61.433 62.300 -1.578 0.000 1.088 135 V CB 1.045 31.538 31.823 -2.217 0.000 0.982 135 V HN 0.787 nan 8.190 nan 0.000 0.485 136 D N 2.972 123.087 120.400 -0.475 0.000 2.127 136 D HA -0.196 4.445 4.640 0.001 0.000 0.190 136 D C 1.542 177.787 176.300 -0.091 0.000 1.000 136 D CA 2.144 56.019 54.000 -0.209 0.000 0.839 136 D CB -0.192 40.515 40.800 -0.155 0.000 0.955 136 D HN 0.933 nan 8.370 nan 0.000 0.446 137 D N -1.041 119.310 120.400 -0.082 0.000 2.328 137 D HA -0.097 4.544 4.640 0.001 0.000 0.226 137 D C 0.134 176.622 176.300 0.315 0.000 1.066 137 D CA -0.310 53.754 54.000 0.106 0.000 0.861 137 D CB -0.547 40.303 40.800 0.084 0.000 0.912 137 D HN 0.112 nan 8.370 nan 0.000 0.521 138 W N 0.991 122.315 121.300 0.040 0.000 2.158 138 W HA 0.218 4.879 4.660 0.001 0.000 0.339 138 W C 0.364 177.045 176.519 0.270 0.000 1.294 138 W CA -1.266 56.118 57.345 0.065 0.000 1.231 138 W CB -0.053 29.411 29.460 0.008 0.000 1.143 138 W HN -0.041 nan 8.180 nan 0.000 0.571 139 W N 4.097 125.530 121.300 0.223 0.000 2.311 139 W HA 0.206 4.867 4.660 0.001 0.000 0.310 139 W C -1.207 175.380 176.519 0.114 0.000 1.274 139 W CA -2.685 54.741 57.345 0.136 0.000 1.215 139 W CB -0.416 29.108 29.460 0.107 0.000 1.227 139 W HN 0.229 nan 8.180 nan 0.000 0.523 140 P HA -0.214 nan 4.420 nan 0.000 0.218 140 P C 1.000 178.373 177.300 0.122 0.000 1.148 140 P CA 1.916 65.111 63.100 0.158 0.000 0.822 140 P CB 0.450 32.205 31.700 0.092 0.000 0.784 141 E N -0.692 119.606 120.200 0.163 0.000 2.265 141 E HA -0.154 4.197 4.350 0.001 0.000 0.196 141 E C 1.284 177.977 176.600 0.155 0.000 0.996 141 E CA 0.982 57.470 56.400 0.146 0.000 0.832 141 E CB -0.671 29.138 29.700 0.182 0.000 0.756 141 E HN 0.316 nan 8.360 nan 0.000 0.491 142 D N 0.242 120.768 120.400 0.209 0.000 2.348 142 D HA -0.040 4.601 4.640 0.001 0.000 0.211 142 D C 1.107 177.297 176.300 -0.183 0.000 0.998 142 D CA 0.317 54.410 54.000 0.156 0.000 0.873 142 D CB 0.069 41.016 40.800 0.245 0.000 0.925 142 D HN 0.306 nan 8.370 nan 0.000 0.524 143 E N 0.534 120.649 120.200 -0.143 0.000 2.204 143 E HA -0.117 4.233 4.350 0.001 0.000 0.195 143 E C -0.810 175.611 176.600 -0.298 0.000 0.990 143 E CA 0.649 56.955 56.400 -0.156 0.000 0.821 143 E CB -0.556 29.125 29.700 -0.031 0.000 0.750 143 E HN 0.314 nan 8.360 nan 0.000 0.477 144 P HA -0.130 nan 4.420 nan 0.000 0.221 144 P C -0.279 176.688 177.300 -0.555 0.000 1.150 144 P CA 1.116 63.873 63.100 -0.570 0.000 0.800 144 P CB -0.018 31.226 31.700 -0.759 0.000 0.787 145 Y N -1.425 118.717 120.300 -0.264 0.000 2.307 145 Y HA 0.398 4.949 4.550 0.002 0.000 0.324 145 Y C 1.987 177.635 175.900 -0.421 0.000 1.238 145 Y CA -1.019 56.855 58.100 -0.377 0.000 1.280 145 Y CB 0.352 38.473 38.460 -0.565 0.000 1.248 145 Y HN -0.188 nan 8.280 nan 0.000 0.508 146 A N 2.139 124.907 122.820 -0.085 0.000 1.972 146 A HA -0.238 4.083 4.320 0.001 0.000 0.219 146 A C 1.743 179.293 177.584 -0.056 0.000 1.169 146 A CA 1.750 53.755 52.037 -0.054 0.000 0.635 146 A CB -1.224 17.779 19.000 0.004 0.000 0.810 146 A HN 0.951 nan 8.150 nan 0.000 0.446 147 Y N -1.838 118.466 120.300 0.007 0.000 2.497 147 Y HA 0.137 4.688 4.550 0.002 0.000 0.292 147 Y C 1.870 177.678 175.900 -0.153 0.000 1.137 147 Y CA 0.955 59.015 58.100 -0.068 0.000 1.285 147 Y CB -0.684 37.721 38.460 -0.092 0.000 0.991 147 Y HN 0.171 nan 8.280 nan 0.000 0.556 148 S N 0.400 115.870 115.700 -0.382 0.000 2.575 148 S HA 0.578 5.049 4.470 0.001 0.000 0.237 148 S C 0.777 175.343 174.600 -0.057 0.000 0.975 148 S CA -0.191 57.836 58.200 -0.289 0.000 0.960 148 S CB -1.072 61.921 63.200 -0.345 0.000 0.822 148 S HN 0.633 nan 8.310 nan 0.000 0.472 149 A N 1.448 124.263 122.820 -0.009 0.000 2.555 149 A HA 0.195 4.516 4.320 0.001 0.000 0.233 149 A C 0.395 178.104 177.584 0.209 0.000 1.060 149 A CA 0.260 52.347 52.037 0.083 0.000 0.759 149 A CB 0.065 19.113 19.000 0.081 0.000 0.995 149 A HN 0.687 nan 8.150 nan 0.000 0.506 150 Q N 0.374 120.290 119.800 0.195 0.000 2.364 150 Q HA 0.217 4.558 4.340 0.001 0.000 0.267 150 Q C -0.363 175.777 176.000 0.233 0.000 0.999 150 Q CA -0.055 55.891 55.803 0.237 0.000 0.886 150 Q CB 0.607 29.450 28.738 0.174 0.000 1.243 150 Q HN 0.556 nan 8.270 nan 0.000 0.415 151 I N 1.613 122.336 120.570 0.255 0.000 2.365 151 I HA 0.279 4.450 4.170 0.001 0.000 0.291 151 I C 0.199 176.398 176.117 0.138 0.000 1.004 151 I CA 0.295 61.707 61.300 0.187 0.000 1.311 151 I CB 0.978 39.052 38.000 0.123 0.000 1.401 151 I HN 0.519 nan 8.210 nan 0.000 0.491 152 S N 3.722 119.530 115.700 0.180 0.000 2.547 152 S HA 0.649 5.120 4.470 0.001 0.000 0.270 152 S C 0.437 175.142 174.600 0.176 0.000 1.150 152 S CA 0.064 58.373 58.200 0.182 0.000 0.850 152 S CB 1.700 64.964 63.200 0.106 0.000 1.118 152 S HN 0.669 nan 8.310 nan 0.000 0.461 153 A N 2.487 125.302 122.820 -0.007 0.000 2.014 153 A HA 0.323 4.644 4.320 0.001 0.000 0.218 153 A C 0.773 178.234 177.584 -0.205 0.000 1.163 153 A CA 0.593 52.363 52.037 -0.444 0.000 0.652 153 A CB -0.271 18.357 19.000 -0.619 0.000 0.808 153 A HN 0.728 nan 8.150 nan 0.000 0.449 154 L N 0.869 122.041 121.223 -0.084 0.000 2.301 154 L HA 0.436 4.777 4.340 0.001 0.000 0.278 154 L C -0.796 176.062 176.870 -0.020 0.000 1.022 154 L CA -0.041 54.761 54.840 -0.062 0.000 0.854 154 L CB 1.289 43.319 42.059 -0.049 0.000 1.226 154 L HN 0.184 nan 8.230 nan 0.000 0.429 155 T N 2.849 117.394 114.554 -0.015 0.000 2.916 155 T HA 0.506 4.857 4.350 0.001 0.000 0.305 155 T C -0.972 173.742 174.700 0.024 0.000 1.119 155 T CA -0.301 61.811 62.100 0.020 0.000 1.008 155 T CB 1.857 70.760 68.868 0.058 0.000 1.129 155 T HN 0.126 nan 8.240 nan 0.000 0.480 156 V N 3.666 123.604 119.914 0.041 0.000 2.407 156 V HA 0.724 4.845 4.120 0.001 0.000 0.278 156 V C 0.646 176.811 176.094 0.117 0.000 1.037 156 V CA -0.815 61.521 62.300 0.061 0.000 0.900 156 V CB 1.016 32.868 31.823 0.049 0.000 0.983 156 V HN 1.075 nan 8.190 nan 0.000 0.459 157 A N 3.425 126.344 122.820 0.165 0.000 2.301 157 A HA 0.540 4.861 4.320 0.001 0.000 0.298 157 A C -0.328 177.401 177.584 0.242 0.000 1.185 157 A CA -0.367 51.827 52.037 0.261 0.000 0.830 157 A CB -0.062 19.191 19.000 0.421 0.000 1.112 157 A HN 1.027 nan 8.150 nan 0.000 0.508 158 H N 1.817 120.960 119.070 0.121 0.000 2.580 158 H HA 0.502 5.059 4.556 0.001 0.000 0.322 158 H C 0.886 176.211 175.328 -0.005 0.000 1.082 158 H CA 1.294 57.375 56.048 0.055 0.000 1.383 158 H CB 0.639 30.419 29.762 0.031 0.000 1.450 158 H HN 1.530 nan 8.280 nan 0.000 0.505 159 G N 3.614 112.057 108.800 -0.594 0.000 2.782 159 G HA2 -0.298 3.663 3.960 0.001 0.000 0.228 159 G HA3 -0.298 3.663 3.960 0.001 0.000 0.228 159 G C 0.740 175.338 174.900 -0.503 0.000 1.372 159 G CA 0.167 44.970 45.100 -0.496 0.000 0.862 159 G HN 0.884 nan 8.290 nan 0.000 0.547 160 E N -0.493 119.460 120.200 -0.411 0.000 2.435 160 E HA 0.086 4.437 4.350 0.001 0.000 0.195 160 E C 2.068 178.445 176.600 -0.372 0.000 1.029 160 E CA 0.775 56.881 56.400 -0.489 0.000 0.865 160 E CB 0.071 29.678 29.700 -0.155 0.000 0.833 160 E HN 0.542 nan 8.360 nan 0.000 0.510 161 R N -0.405 119.946 120.500 -0.248 0.000 2.280 161 R HA 0.179 4.520 4.340 0.001 0.000 0.195 161 R C -0.395 175.997 176.300 0.152 0.000 0.935 161 R CA 0.159 56.214 56.100 -0.075 0.000 1.033 161 R CB -0.057 30.046 30.300 -0.329 0.000 0.964 161 R HN 0.110 nan 8.270 nan 0.000 0.489 162 F N 1.384 121.436 119.950 0.171 0.000 2.975 162 F HA -0.212 4.316 4.527 0.001 0.000 0.319 162 F C -0.819 175.077 175.800 0.161 0.000 0.976 162 F CA -0.005 58.126 58.000 0.217 0.000 1.072 162 F CB -1.318 37.899 39.000 0.362 0.000 1.165 162 F HN 0.063 nan 8.300 nan 0.000 0.758 163 D N 1.601 122.134 120.400 0.222 0.000 2.338 163 D HA 0.175 4.816 4.640 0.001 0.000 0.255 163 D C 0.834 177.237 176.300 0.172 0.000 1.237 163 D CA 0.432 54.513 54.000 0.135 0.000 0.883 163 D CB 1.085 41.938 40.800 0.089 0.000 1.087 163 D HN 0.316 nan 8.370 nan 0.000 0.485 164 T N -1.504 113.141 114.554 0.151 0.000 2.913 164 T HA 0.466 4.816 4.350 0.001 0.000 0.287 164 T C 1.236 176.006 174.700 0.117 0.000 1.008 164 T CA -0.118 62.077 62.100 0.157 0.000 1.067 164 T CB 1.621 70.590 68.868 0.169 0.000 0.996 164 T HN 0.535 nan 8.240 nan 0.000 0.513 165 G N 0.440 109.304 108.800 0.107 0.000 2.179 165 G HA2 -0.124 3.837 3.960 0.001 0.000 0.257 165 G HA3 -0.124 3.837 3.960 0.001 0.000 0.257 165 G C 0.095 175.039 174.900 0.073 0.000 1.010 165 G CA 0.330 45.484 45.100 0.090 0.000 0.736 165 G HN 1.877 nan 8.290 nan 0.000 0.513 166 V N -3.886 116.070 119.914 0.069 0.000 3.074 166 V HA 0.990 5.111 4.120 0.001 0.000 0.314 166 V C 0.009 176.127 176.094 0.040 0.000 1.117 166 V CA -0.097 62.226 62.300 0.038 0.000 1.014 166 V CB 2.009 33.833 31.823 0.002 0.000 1.057 166 V HN 0.774 nan 8.190 nan 0.000 0.438 167 T N 0.455 115.016 114.554 0.012 0.000 2.916 167 T HA 0.464 4.815 4.350 0.001 0.000 0.292 167 T C -0.983 173.679 174.700 -0.063 0.000 1.055 167 T CA -0.417 61.691 62.100 0.014 0.000 1.009 167 T CB 1.775 70.678 68.868 0.058 0.000 1.118 167 T HN 1.081 nan 8.240 nan 0.000 0.497 168 E N 2.716 122.874 120.200 -0.070 0.000 2.109 168 E HA 0.510 4.861 4.350 0.001 0.000 0.278 168 E C -1.011 175.570 176.600 -0.032 0.000 0.954 168 E CA -0.630 55.700 56.400 -0.117 0.000 0.779 168 E CB 0.883 30.497 29.700 -0.144 0.000 1.093 168 E HN 0.390 nan 8.360 nan 0.000 0.401 169 V N 3.677 123.573 119.914 -0.030 0.000 2.465 169 V HA 0.254 4.375 4.120 0.001 0.000 0.279 169 V C -0.176 175.916 176.094 -0.003 0.000 1.045 169 V CA -0.437 61.859 62.300 -0.006 0.000 0.938 169 V CB 1.591 33.413 31.823 -0.002 0.000 0.986 169 V HN 0.628 nan 8.190 nan 0.000 0.467 170 S N 3.645 119.348 115.700 0.006 0.000 2.519 170 S HA 0.645 5.116 4.470 0.001 0.000 0.309 170 S C -0.533 174.072 174.600 0.009 0.000 1.100 170 S CA -0.591 57.614 58.200 0.008 0.000 1.059 170 S CB 1.719 64.927 63.200 0.013 0.000 1.008 170 S HN 0.457 nan 8.310 nan 0.000 0.478 171 V N 3.270 123.188 119.914 0.007 0.000 2.378 171 V HA 0.648 4.768 4.120 0.001 0.000 0.288 171 V C 0.218 176.316 176.094 0.007 0.000 1.016 171 V CA -0.732 61.572 62.300 0.007 0.000 0.840 171 V CB 1.217 33.044 31.823 0.007 0.000 0.994 171 V HN 0.973 nan 8.190 nan 0.000 0.431 172 T N 3.229 117.787 114.554 0.007 0.000 2.863 172 T HA 0.669 5.020 4.350 0.001 0.000 0.285 172 T C -2.892 171.811 174.700 0.006 0.000 1.009 172 T CA -2.419 59.685 62.100 0.006 0.000 0.989 172 T CB 2.429 71.302 68.868 0.007 0.000 1.004 172 T HN 0.453 nan 8.240 nan 0.000 0.455 173 P HA 0.412 nan 4.420 nan 0.000 0.275 173 P C -0.193 177.109 177.300 0.004 0.000 1.227 173 P CA -0.310 62.792 63.100 0.004 0.000 0.781 173 P CB 1.024 32.727 31.700 0.004 0.000 0.906 174 A N 3.388 126.211 122.820 0.004 0.000 3.516 174 A HA 0.712 5.033 4.320 0.001 0.000 0.164 174 A C 0.330 177.916 177.584 0.003 0.000 1.887 174 A CA -0.117 51.923 52.037 0.004 0.000 0.978 174 A CB -0.600 18.402 19.000 0.003 0.000 1.863 174 A HN 0.577 nan 8.150 nan 0.000 0.697 175 A N -0.188 122.633 122.820 0.003 0.000 2.371 175 A HA 0.453 4.774 4.320 0.001 0.000 0.257 175 A C 0.327 177.912 177.584 0.002 0.000 1.089 175 A CA -0.123 51.916 52.037 0.002 0.000 0.794 175 A CB -0.232 18.769 19.000 0.002 0.000 1.029 175 A HN 0.689 nan 8.150 nan 0.000 0.488 176 E N 0.837 121.038 120.200 0.002 0.000 2.558 176 E HA 0.242 4.593 4.350 0.001 0.000 0.255 176 E C 1.236 177.837 176.600 0.002 0.000 0.968 176 E CA 1.116 57.518 56.400 0.002 0.000 0.939 176 E CB -0.114 29.587 29.700 0.002 0.000 0.921 176 E HN 1.429 nan 8.360 nan 0.000 0.477 177 G N 3.967 112.769 108.800 0.002 0.000 2.284 177 G HA2 -0.283 3.678 3.960 0.001 0.000 0.230 177 G HA3 -0.283 3.678 3.960 0.001 0.000 0.230 177 G C 0.147 175.048 174.900 0.002 0.000 1.021 177 G CA 0.210 45.311 45.100 0.002 0.000 0.619 177 G HN 0.609 nan 8.290 nan 0.000 0.510 178 E N 1.952 122.153 120.200 0.002 0.000 2.373 178 E HA 0.397 4.747 4.350 0.001 0.000 0.263 178 E C -2.204 174.397 176.600 0.002 0.000 1.073 178 E CA -1.746 54.655 56.400 0.002 0.000 0.894 178 E CB 0.791 30.492 29.700 0.002 0.000 1.008 178 E HN 0.151 nan 8.360 nan 0.000 0.420 179 P HA -0.082 nan 4.420 nan 0.000 0.266 179 P C -1.009 176.293 177.300 0.003 0.000 1.193 179 P CA 0.219 63.321 63.100 0.002 0.000 0.770 179 P CB 0.459 32.160 31.700 0.002 0.000 0.836 180 A N 2.506 125.328 122.820 0.004 0.000 2.406 180 A HA 0.140 4.461 4.320 0.001 0.000 0.243 180 A C 0.110 177.697 177.584 0.005 0.000 1.082 180 A CA -0.056 51.983 52.037 0.004 0.000 0.786 180 A CB -0.194 18.809 19.000 0.005 0.000 1.029 180 A HN 0.453 nan 8.150 nan 0.000 0.495 181 D N 0.626 121.030 120.400 0.005 0.000 2.277 181 D HA 0.435 5.076 4.640 0.001 0.000 0.249 181 D C -0.747 175.558 176.300 0.007 0.000 1.134 181 D CA 0.224 54.228 54.000 0.006 0.000 0.863 181 D CB 1.512 42.316 40.800 0.007 0.000 1.143 181 D HN 0.123 nan 8.370 nan 0.000 0.458 182 V N 2.988 122.906 119.914 0.008 0.000 2.487 182 V HA 0.198 4.319 4.120 0.001 0.000 0.298 182 V C -0.123 175.979 176.094 0.013 0.000 1.028 182 V CA -0.792 61.514 62.300 0.009 0.000 0.860 182 V CB 2.100 33.928 31.823 0.007 0.000 0.991 182 V HN 0.435 nan 8.190 nan 0.000 0.427 183 D N 3.938 124.347 120.400 0.016 0.000 2.278 183 D HA 0.373 5.013 4.640 0.001 0.000 0.245 183 D C 0.460 176.775 176.300 0.024 0.000 1.052 183 D CA -0.419 53.594 54.000 0.022 0.000 0.834 183 D CB 2.215 43.029 40.800 0.023 0.000 1.194 183 D HN 0.412 nan 8.370 nan 0.000 0.481 184 L N 3.119 124.362 121.223 0.032 0.000 2.591 184 L HA 0.216 4.557 4.340 0.001 0.000 0.228 184 L C 1.669 178.569 176.870 0.050 0.000 1.133 184 L CA 0.417 55.279 54.840 0.037 0.000 0.880 184 L CB -0.584 41.499 42.059 0.040 0.000 1.033 184 L HN 0.756 nan 8.230 nan 0.000 0.450 185 G N 0.663 109.495 108.800 0.054 0.000 2.531 185 G HA2 -0.423 3.537 3.960 0.001 0.000 0.274 185 G HA3 -0.423 3.537 3.960 0.001 0.000 0.274 185 G C 0.914 175.869 174.900 0.092 0.000 1.159 185 G CA 0.382 45.523 45.100 0.068 0.000 0.969 185 G HN 0.261 nan 8.290 nan 0.000 0.554 186 A N -0.284 122.598 122.820 0.104 0.000 1.933 186 A HA 0.329 4.650 4.320 0.001 0.000 0.218 186 A C 2.862 180.557 177.584 0.185 0.000 1.175 186 A CA 3.418 55.530 52.037 0.124 0.000 0.628 186 A CB -0.919 18.147 19.000 0.109 0.000 0.814 186 A HN 2.332 nan 8.150 nan 0.000 0.444 187 A N -0.355 122.562 122.820 0.161 0.000 2.239 187 A HA 0.103 4.424 4.320 0.001 0.000 0.209 187 A C 0.557 178.232 177.584 0.151 0.000 1.171 187 A CA 0.014 52.170 52.037 0.197 0.000 0.768 187 A CB -0.268 18.852 19.000 0.200 0.000 0.790 187 A HN 0.424 nan 8.150 nan 0.000 0.478 188 E N -0.259 120.031 120.200 0.150 0.000 2.480 188 E HA 0.238 4.589 4.350 0.001 0.000 0.258 188 E C 1.226 177.932 176.600 0.177 0.000 0.984 188 E CA 1.125 57.600 56.400 0.126 0.000 0.930 188 E CB 0.233 30.000 29.700 0.112 0.000 0.936 188 E HN 0.668 nan 8.360 nan 0.000 0.466 189 G N 3.080 111.922 108.800 0.071 0.000 2.176 189 G HA2 -0.370 3.591 3.960 0.001 0.000 0.253 189 G HA3 -0.370 3.591 3.960 0.001 0.000 0.253 189 G C 0.494 175.269 174.900 -0.208 0.000 0.979 189 G CA 0.670 45.791 45.100 0.035 0.000 0.641 189 G HN 0.606 nan 8.290 nan 0.000 0.530 190 Y N 0.447 120.491 120.300 -0.427 0.000 2.697 190 Y HA 0.707 5.258 4.550 0.001 0.000 0.268 190 Y C 1.663 177.446 175.900 -0.195 0.000 1.092 190 Y CA 1.381 59.208 58.100 -0.456 0.000 1.304 190 Y CB -0.055 38.053 38.460 -0.586 0.000 1.446 190 Y HN 0.657 nan 8.280 nan 0.000 0.491 191 A N 1.702 124.410 122.820 -0.186 0.000 2.322 191 A HA 0.328 4.649 4.320 0.001 0.000 0.269 191 A C -0.320 177.179 177.584 -0.142 0.000 1.094 191 A CA -0.485 51.423 52.037 -0.215 0.000 0.807 191 A CB 0.099 19.066 19.000 -0.056 0.000 1.047 191 A HN 0.497 nan 8.150 nan 0.000 0.487 192 E N -0.050 120.066 120.200 -0.139 0.000 2.301 192 E HA 0.326 4.677 4.350 0.001 0.000 0.275 192 E C -1.266 175.300 176.600 -0.057 0.000 1.030 192 E CA -0.511 55.835 56.400 -0.091 0.000 0.852 192 E CB 1.422 31.067 29.700 -0.091 0.000 1.060 192 E HN 0.451 nan 8.360 nan 0.000 0.401 193 L N 3.164 124.364 121.223 -0.039 0.000 2.287 193 L HA 0.271 4.612 4.340 0.001 0.000 0.287 193 L C -0.933 175.924 176.870 -0.022 0.000 1.022 193 L CA -0.258 54.567 54.840 -0.025 0.000 0.814 193 L CB 1.295 43.346 42.059 -0.014 0.000 1.217 193 L HN 0.294 nan 8.230 nan 0.000 0.420 194 D N 3.338 123.726 120.400 -0.020 0.000 2.472 194 D HA 0.220 4.860 4.640 0.001 0.000 0.234 194 D C -0.942 175.352 176.300 -0.010 0.000 1.088 194 D CA -0.153 53.837 54.000 -0.016 0.000 0.882 194 D CB 0.428 41.217 40.800 -0.019 0.000 1.037 194 D HN 0.454 nan 8.370 nan 0.000 0.520 195 N N 2.971 121.666 118.700 -0.007 0.000 2.546 195 N HA 0.241 4.982 4.740 0.001 0.000 0.238 195 N C -0.260 175.249 175.510 -0.002 0.000 0.984 195 N CA -0.280 52.768 53.050 -0.003 0.000 0.935 195 N CB 0.436 38.922 38.487 -0.002 0.000 1.122 195 N HN 0.291 nan 8.380 nan 0.000 0.510 196 R N 1.565 122.064 120.500 -0.001 0.000 2.613 196 R HA 0.396 4.737 4.340 0.001 0.000 0.361 196 R C -0.009 176.292 176.300 0.002 0.000 1.072 196 R CA -0.416 55.684 56.100 -0.000 0.000 1.089 196 R CB 0.744 31.044 30.300 -0.001 0.000 1.343 196 R HN 0.426 nan 8.270 nan 0.000 0.571 197 A N 0.688 123.510 122.820 0.003 0.000 2.304 197 A HA 0.529 4.850 4.320 0.001 0.000 0.271 197 A C -0.300 177.286 177.584 0.003 0.000 1.091 197 A CA -0.329 51.711 52.037 0.004 0.000 0.812 197 A CB 1.152 20.155 19.000 0.005 0.000 1.056 197 A HN 0.074 nan 8.150 nan 0.000 0.489 198 V N 0.192 120.109 119.914 0.004 0.000 3.074 198 V HA 0.644 4.765 4.120 0.001 0.000 0.314 198 V C -0.106 175.990 176.094 0.004 0.000 1.117 198 V CA -0.422 61.880 62.300 0.003 0.000 1.014 198 V CB 2.536 34.361 31.823 0.003 0.000 1.057 198 V HN 0.955 nan 8.190 nan 0.000 0.438 199 T N 3.939 118.494 114.554 0.003 0.000 2.743 199 T HA 0.560 4.911 4.350 0.001 0.000 0.293 199 T C 0.300 175.002 174.700 0.003 0.000 0.945 199 T CA 0.377 62.479 62.100 0.003 0.000 1.030 199 T CB 0.874 69.744 68.868 0.003 0.000 0.912 199 T HN 1.073 nan 8.240 nan 0.000 0.483 200 G N 1.682 110.484 108.800 0.003 0.000 2.580 200 G HA2 0.574 4.535 3.960 0.001 0.000 0.278 200 G HA3 0.574 4.535 3.960 0.001 0.000 0.278 200 G C 0.075 174.977 174.900 0.002 0.000 1.212 200 G CA -0.831 44.270 45.100 0.003 0.000 0.939 200 G HN 0.969 nan 8.290 nan 0.000 0.513 201 A N -0.456 122.365 122.820 0.002 0.000 2.425 201 A HA 0.581 4.902 4.320 0.001 0.000 0.242 201 A C 1.068 178.654 177.584 0.002 0.000 1.077 201 A CA 0.360 52.398 52.037 0.002 0.000 0.781 201 A CB -0.142 18.859 19.000 0.002 0.000 1.020 201 A HN 1.953 nan 8.150 nan 0.000 0.494 202 A N 0.785 123.606 122.820 0.002 0.000 2.567 202 A HA 0.461 4.782 4.320 0.001 0.000 0.240 202 A C 1.581 179.166 177.584 0.002 0.000 1.053 202 A CA 0.875 52.913 52.037 0.002 0.000 0.755 202 A CB -0.941 18.060 19.000 0.002 0.000 0.978 202 A HN 2.780 nan 8.150 nan 0.000 0.507 203 G N 1.750 110.551 108.800 0.002 0.000 2.141 203 G HA2 -0.146 3.815 3.960 0.001 0.000 0.242 203 G HA3 -0.146 3.815 3.960 0.001 0.000 0.242 203 G C 0.491 175.392 174.900 0.002 0.000 0.982 203 G CA 0.839 45.940 45.100 0.001 0.000 0.662 203 G HN 2.049 nan 8.290 nan 0.000 0.527 204 S N -0.412 115.289 115.700 0.002 0.000 2.713 204 S HA 0.849 5.319 4.470 0.001 0.000 0.277 204 S C 0.666 175.268 174.600 0.002 0.000 1.168 204 S CA 0.223 58.424 58.200 0.002 0.000 0.994 204 S CB 1.834 65.035 63.200 0.002 0.000 1.054 204 S HN 1.868 nan 8.310 nan 0.000 0.555 205 A N 1.225 124.046 122.820 0.002 0.000 2.401 205 A HA 0.371 4.692 4.320 0.001 0.000 0.259 205 A C 0.337 177.923 177.584 0.003 0.000 1.103 205 A CA -0.584 51.454 52.037 0.003 0.000 0.789 205 A CB -0.373 18.628 19.000 0.003 0.000 1.035 205 A HN 0.762 nan 8.150 nan 0.000 0.491 206 N N 1.844 120.546 118.700 0.003 0.000 2.402 206 N HA 0.088 4.829 4.740 0.001 0.000 0.252 206 N C 0.646 176.159 175.510 0.005 0.000 1.118 206 N CA 0.756 53.808 53.050 0.004 0.000 0.945 206 N CB 0.631 39.120 38.487 0.003 0.000 1.147 206 N HN 0.678 nan 8.380 nan 0.000 0.495 207 T N 0.943 115.501 114.554 0.007 0.000 3.182 207 T HA 0.162 4.513 4.350 0.001 0.000 0.277 207 T C 0.651 175.358 174.700 0.011 0.000 1.013 207 T CA -0.512 61.593 62.100 0.009 0.000 0.900 207 T CB -0.165 68.708 68.868 0.008 0.000 1.098 207 T HN 0.212 nan 8.240 nan 0.000 0.543 208 L N 2.764 123.994 121.223 0.011 0.000 2.513 208 L HA 0.417 4.758 4.340 0.001 0.000 0.272 208 L C -0.584 176.298 176.870 0.020 0.000 1.187 208 L CA 0.266 55.114 54.840 0.014 0.000 0.895 208 L CB 0.562 42.628 42.059 0.012 0.000 1.147 208 L HN 0.154 nan 8.230 nan 0.000 0.483 209 V N 6.958 126.887 119.914 0.024 0.000 2.540 209 V HA 0.451 4.572 4.120 0.001 0.000 0.302 209 V C -0.118 175.997 176.094 0.035 0.000 1.035 209 V CA -0.514 61.808 62.300 0.037 0.000 0.873 209 V CB 1.803 33.650 31.823 0.040 0.000 0.992 209 V HN 0.537 nan 8.190 nan 0.000 0.428 210 I N 4.056 124.655 120.570 0.049 0.000 2.382 210 I HA 0.481 4.652 4.170 0.001 0.000 0.285 210 I C -0.767 175.375 176.117 0.043 0.000 1.007 210 I CA -0.081 61.242 61.300 0.038 0.000 1.142 210 I CB 1.560 39.581 38.000 0.035 0.000 1.289 210 I HN 0.560 nan 8.210 nan 0.000 0.453 211 D N 4.992 125.399 120.400 0.011 0.000 2.419 211 D HA 0.414 5.055 4.640 0.001 0.000 0.234 211 D C -0.731 175.537 176.300 -0.052 0.000 1.014 211 D CA -0.772 53.216 54.000 -0.020 0.000 0.919 211 D CB 2.039 42.835 40.800 -0.008 0.000 1.366 211 D HN 0.362 nan 8.370 nan 0.000 0.490 212 R N 2.503 122.945 120.500 -0.097 0.000 2.312 212 R HA 0.447 4.788 4.340 0.001 0.000 0.310 212 R C -2.462 173.790 176.300 -0.080 0.000 1.064 212 R CA -1.725 54.324 56.100 -0.085 0.000 0.983 212 R CB 1.047 31.289 30.300 -0.095 0.000 1.139 212 R HN 0.215 nan 8.270 nan 0.000 0.536 213 P HA -0.149 nan 4.420 nan 0.000 0.261 213 P C -0.156 177.120 177.300 -0.039 0.000 1.173 213 P CA -0.013 63.062 63.100 -0.041 0.000 0.760 213 P CB 0.674 32.356 31.700 -0.031 0.000 0.783 214 V N 4.640 124.535 119.914 -0.032 0.000 2.681 214 V HA 0.137 4.258 4.120 0.001 0.000 0.306 214 V C 1.420 177.506 176.094 -0.014 0.000 1.077 214 V CA 1.907 64.194 62.300 -0.022 0.000 1.224 214 V CB -0.796 31.022 31.823 -0.008 0.000 0.879 214 V HN 1.012 nan 8.190 nan 0.000 0.494 215 G N 3.591 112.385 108.800 -0.008 0.000 2.160 215 G HA2 -0.212 3.749 3.960 0.001 0.000 0.251 215 G HA3 -0.212 3.749 3.960 0.001 0.000 0.251 215 G C 0.217 175.108 174.900 -0.015 0.000 1.008 215 G CA 0.875 45.973 45.100 -0.003 0.000 0.724 215 G HN 1.796 nan 8.290 nan 0.000 0.514 216 T N -3.505 111.033 114.554 -0.026 0.000 2.888 216 T HA 0.661 5.011 4.350 0.001 0.000 0.288 216 T C -0.006 174.663 174.700 -0.053 0.000 1.063 216 T CA -0.225 61.850 62.100 -0.041 0.000 1.010 216 T CB 2.138 70.980 68.868 -0.045 0.000 1.214 216 T HN 0.210 nan 8.240 nan 0.000 0.533 217 N N 0.006 118.656 118.700 -0.084 0.000 2.541 217 N HA 0.325 5.066 4.740 0.001 0.000 0.297 217 N C -1.203 174.232 175.510 -0.125 0.000 1.503 217 N CA -0.313 52.665 53.050 -0.120 0.000 0.919 217 N CB 0.413 38.770 38.487 -0.216 0.000 1.305 217 N HN 0.687 nan 8.380 nan 0.000 0.501 218 T N 0.860 115.364 114.554 -0.083 0.000 2.807 218 T HA 0.424 4.775 4.350 0.001 0.000 0.279 218 T C -0.207 174.462 174.700 -0.051 0.000 0.993 218 T CA -0.512 61.547 62.100 -0.069 0.000 0.970 218 T CB 1.223 70.057 68.868 -0.057 0.000 0.950 218 T HN -0.031 nan 8.240 nan 0.000 0.441 219 I N 3.040 123.586 120.570 -0.040 0.000 2.315 219 I HA 0.479 4.650 4.170 0.001 0.000 0.291 219 I C 0.480 176.584 176.117 -0.022 0.000 1.006 219 I CA -0.905 60.378 61.300 -0.028 0.000 1.265 219 I CB 0.505 38.495 38.000 -0.017 0.000 1.387 219 I HN 0.691 nan 8.210 nan 0.000 0.475 220 A N 7.367 130.175 122.820 -0.020 0.000 2.258 220 A HA 0.651 4.972 4.320 0.001 0.000 0.316 220 A C -0.465 177.117 177.584 -0.004 0.000 1.279 220 A CA -0.466 51.563 52.037 -0.013 0.000 0.876 220 A CB 0.757 19.748 19.000 -0.015 0.000 1.170 220 A HN 0.433 nan 8.150 nan 0.000 0.520 221 V N 3.715 123.629 119.914 -0.001 0.000 2.334 221 V HA 0.597 4.717 4.120 0.001 0.000 0.281 221 V C 0.430 176.527 176.094 0.005 0.000 1.016 221 V CA -0.004 62.299 62.300 0.005 0.000 0.832 221 V CB 1.165 32.991 31.823 0.005 0.000 0.999 221 V HN 1.072 nan 8.190 nan 0.000 0.439 222 T N 1.309 115.868 114.554 0.009 0.000 2.926 222 T HA 0.959 5.310 4.350 0.001 0.000 0.289 222 T C 0.223 174.929 174.700 0.010 0.000 1.054 222 T CA -0.016 62.089 62.100 0.008 0.000 1.015 222 T CB 1.994 70.867 68.868 0.009 0.000 1.167 222 T HN 1.767 nan 8.240 nan 0.000 0.526 223 G N 0.351 109.156 108.800 0.009 0.000 2.548 223 G HA2 0.203 4.164 3.960 0.001 0.000 0.208 223 G HA3 0.203 4.164 3.960 0.001 0.000 0.208 223 G C -0.403 174.501 174.900 0.007 0.000 1.308 223 G CA -0.212 44.893 45.100 0.009 0.000 0.924 223 G HN 1.463 nan 8.290 nan 0.000 0.540 224 S N -1.039 114.665 115.700 0.007 0.000 2.532 224 S HA 0.652 5.123 4.470 0.001 0.000 0.299 224 S C -1.018 173.585 174.600 0.006 0.000 1.105 224 S CA -0.402 57.801 58.200 0.006 0.000 1.018 224 S CB 1.303 64.506 63.200 0.005 0.000 1.021 224 S HN 1.527 nan 8.310 nan 0.000 0.483 225 L N 6.947 128.173 121.223 0.005 0.000 2.298 225 L HA 0.646 4.986 4.340 0.001 0.000 0.284 225 L C -2.544 174.328 176.870 0.004 0.000 1.013 225 L CA -1.906 52.936 54.840 0.005 0.000 0.824 225 L CB 1.271 43.333 42.059 0.005 0.000 1.221 225 L HN 0.390 nan 8.230 nan 0.000 0.418 226 P HA 0.013 nan 4.420 nan 0.000 0.263 226 P C 0.181 177.482 177.300 0.003 0.000 1.175 226 P CA 0.340 63.442 63.100 0.003 0.000 0.761 226 P CB 0.692 32.393 31.700 0.003 0.000 0.794 227 A N 3.887 126.709 122.820 0.003 0.000 1.978 227 A HA -0.209 4.112 4.320 0.001 0.000 0.220 227 A C 1.461 179.047 177.584 0.003 0.000 1.170 227 A CA 2.105 54.143 52.037 0.003 0.000 0.636 227 A CB -0.994 18.007 19.000 0.002 0.000 0.810 227 A HN 0.642 nan 8.150 nan 0.000 0.448 228 D N -0.553 119.849 120.400 0.002 0.000 2.328 228 D HA 0.384 5.025 4.640 0.001 0.000 0.221 228 D C 0.499 176.801 176.300 0.003 0.000 1.072 228 D CA 0.455 54.457 54.000 0.002 0.000 0.850 228 D CB -0.472 40.330 40.800 0.002 0.000 0.922 228 D HN 0.355 nan 8.370 nan 0.000 0.516 229 A N 0.503 123.325 122.820 0.003 0.000 2.354 229 A HA 0.622 4.943 4.320 0.001 0.000 0.269 229 A C 0.709 178.295 177.584 0.003 0.000 1.109 229 A CA -0.203 51.836 52.037 0.003 0.000 0.800 229 A CB 0.450 19.452 19.000 0.003 0.000 1.045 229 A HN 0.356 nan 8.150 nan 0.000 0.489 230 A N 3.272 126.094 122.820 0.003 0.000 2.547 230 A HA 0.472 4.793 4.320 0.001 0.000 0.233 230 A C -2.116 175.470 177.584 0.004 0.000 1.067 230 A CA -0.647 51.392 52.037 0.003 0.000 0.763 230 A CB -0.861 18.141 19.000 0.003 0.000 1.007 230 A HN 0.656 nan 8.150 nan 0.000 0.506 231 P HA 0.204 nan 4.420 nan 0.000 0.266 231 P C -0.685 176.618 177.300 0.004 0.000 1.195 231 P CA -0.089 63.015 63.100 0.005 0.000 0.768 231 P CB 0.425 32.129 31.700 0.007 0.000 0.838 232 V N 3.794 123.710 119.914 0.004 0.000 2.465 232 V HA 0.296 4.417 4.120 0.001 0.000 0.279 232 V C 0.365 176.460 176.094 0.002 0.000 1.045 232 V CA 0.314 62.615 62.300 0.003 0.000 0.938 232 V CB 1.145 32.971 31.823 0.005 0.000 0.986 232 V HN 0.549 nan 8.190 nan 0.000 0.467 233 T N 4.443 118.996 114.554 -0.002 0.000 2.841 233 T HA 0.766 5.117 4.350 0.001 0.000 0.285 233 T C -0.342 174.348 174.700 -0.017 0.000 0.991 233 T CA -0.329 61.766 62.100 -0.008 0.000 0.966 233 T CB 1.607 70.472 68.868 -0.005 0.000 0.962 233 T HN 0.934 nan 8.240 nan 0.000 0.438 234 A N 3.206 126.011 122.820 -0.024 0.000 2.475 234 A HA 0.844 5.165 4.320 0.001 0.000 0.301 234 A C -1.106 176.444 177.584 -0.056 0.000 1.059 234 A CA -0.787 51.236 52.037 -0.024 0.000 0.710 234 A CB 1.123 20.128 19.000 0.009 0.000 1.288 234 A HN 0.804 nan 8.150 nan 0.000 0.408 235 L N 2.515 123.699 121.223 -0.065 0.000 2.276 235 L HA 0.540 4.881 4.340 0.001 0.000 0.286 235 L C 0.088 176.941 176.870 -0.029 0.000 1.061 235 L CA -0.539 54.245 54.840 -0.095 0.000 0.807 235 L CB 0.705 42.687 42.059 -0.128 0.000 1.177 235 L HN 0.598 nan 8.230 nan 0.000 0.429 236 R N 1.129 121.607 120.500 -0.035 0.000 2.750 236 R HA 0.437 4.777 4.340 0.001 0.000 0.281 236 R C -0.379 175.905 176.300 -0.027 0.000 0.972 236 R CA -0.752 55.332 56.100 -0.027 0.000 0.912 236 R CB 2.090 32.376 30.300 -0.022 0.000 1.187 236 R HN 0.677 nan 8.270 nan 0.000 0.464 237 T N -1.517 113.008 114.554 -0.048 0.000 2.913 237 T HA 0.388 4.739 4.350 0.001 0.000 0.297 237 T C 0.779 175.490 174.700 0.017 0.000 1.029 237 T CA -0.679 61.412 62.100 -0.015 0.000 1.104 237 T CB 0.859 69.706 68.868 -0.036 0.000 0.964 237 T HN 0.364 nan 8.240 nan 0.000 0.532 238 V N -0.571 119.386 119.914 0.071 0.000 2.881 238 V HA 0.641 4.762 4.120 0.001 0.000 0.316 238 V C -0.302 175.870 176.094 0.129 0.000 1.070 238 V CA -1.252 61.126 62.300 0.130 0.000 0.976 238 V CB 1.535 33.528 31.823 0.284 0.000 1.038 238 V HN 0.963 nan 8.190 nan 0.000 0.446 239 D N 1.891 122.368 120.400 0.127 0.000 2.304 239 D HA 0.231 4.872 4.640 0.001 0.000 0.250 239 D C -0.098 176.321 176.300 0.198 0.000 1.107 239 D CA 0.543 54.612 54.000 0.115 0.000 0.885 239 D CB 0.401 41.231 40.800 0.049 0.000 1.192 239 D HN 0.800 nan 8.370 nan 0.000 0.436 240 E N 2.651 122.947 120.200 0.159 0.000 2.937 240 E HA -0.142 4.209 4.350 0.001 0.000 0.152 240 E C -1.921 174.765 176.600 0.143 0.000 1.769 240 E CA 0.073 56.570 56.400 0.161 0.000 0.688 240 E CB -0.777 29.031 29.700 0.180 0.000 1.091 240 E HN 0.506 nan 8.360 nan 0.000 0.362 241 P HA -0.223 nan 4.420 nan 0.000 0.217 241 P C 1.324 178.627 177.300 0.005 0.000 1.151 241 P CA 2.337 65.469 63.100 0.053 0.000 0.849 241 P CB 0.189 31.934 31.700 0.075 0.000 0.787 242 A N -0.401 122.435 122.820 0.027 0.000 1.968 242 A HA 0.013 4.334 4.320 0.001 0.000 0.217 242 A C 2.294 179.873 177.584 -0.008 0.000 1.169 242 A CA 1.660 53.703 52.037 0.010 0.000 0.638 242 A CB -1.449 17.570 19.000 0.032 0.000 0.812 242 A HN 0.185 nan 8.150 nan 0.000 0.446 243 A N -0.309 122.517 122.820 0.009 0.000 1.933 243 A HA -0.045 4.276 4.320 0.001 0.000 0.218 243 A C 2.106 179.518 177.584 -0.288 0.000 1.175 243 A CA 1.700 53.737 52.037 -0.001 0.000 0.628 243 A CB -0.559 18.559 19.000 0.196 0.000 0.814 243 A HN 0.660 nan 8.150 nan 0.000 0.444 244 L N -0.272 120.629 121.223 -0.537 0.000 2.056 244 L HA -0.028 4.313 4.340 0.001 0.000 0.207 244 L C 2.676 179.419 176.870 -0.212 0.000 1.078 244 L CA 2.128 56.558 54.840 -0.684 0.000 0.749 244 L CB -0.799 40.958 42.059 -0.503 0.000 0.901 244 L HN 0.335 nan 8.230 nan 0.000 0.433 245 A N -0.335 122.419 122.820 -0.109 0.000 1.892 245 A HA -0.158 4.163 4.320 0.001 0.000 0.218 245 A C 2.352 179.947 177.584 0.019 0.000 1.188 245 A CA 1.881 53.899 52.037 -0.032 0.000 0.631 245 A CB -1.712 17.267 19.000 -0.035 0.000 0.822 245 A HN 0.550 nan 8.150 nan 0.000 0.447 246 G N -1.224 107.585 108.800 0.015 0.000 2.459 246 G HA2 -0.332 3.629 3.960 0.001 0.000 0.217 246 G HA3 -0.332 3.629 3.960 0.001 0.000 0.217 246 G C 1.481 176.434 174.900 0.088 0.000 1.183 246 G CA 1.553 46.696 45.100 0.072 0.000 0.776 246 G HN 0.777 nan 8.290 nan 0.000 0.552 247 H N 0.613 119.649 119.070 -0.057 0.000 2.319 247 H HA -0.003 4.554 4.556 0.001 0.000 0.297 247 H C 2.484 177.802 175.328 -0.017 0.000 1.097 247 H CA 1.783 57.804 56.048 -0.045 0.000 1.285 247 H CB -0.339 29.352 29.762 -0.119 0.000 1.368 247 H HN 0.294 nan 8.280 nan 0.000 0.495 248 L N -1.278 119.873 121.223 -0.120 0.000 2.093 248 L HA -0.114 4.227 4.340 0.001 0.000 0.208 248 L C 2.131 178.982 176.870 -0.032 0.000 1.085 248 L CA 0.965 55.733 54.840 -0.120 0.000 0.755 248 L CB -0.399 41.652 42.059 -0.013 0.000 0.904 248 L HN 0.276 nan 8.230 nan 0.000 0.435 249 F N 0.700 120.584 119.950 -0.109 0.000 2.325 249 F HA -0.158 4.370 4.527 0.001 0.000 0.299 249 F C 2.492 178.242 175.800 -0.083 0.000 1.090 249 F CA 1.287 59.240 58.000 -0.078 0.000 1.392 249 F CB -0.118 38.852 39.000 -0.050 0.000 1.053 249 F HN 0.082 nan 8.300 nan 0.000 0.521 250 E N 0.156 120.276 120.200 -0.134 0.000 2.106 250 E HA -0.205 4.146 4.350 0.001 0.000 0.192 250 E C 1.958 178.419 176.600 -0.233 0.000 0.984 250 E CA 1.319 57.598 56.400 -0.202 0.000 0.806 250 E CB -0.050 29.587 29.700 -0.104 0.000 0.750 250 E HN 0.563 nan 8.360 nan 0.000 0.458 251 E N 0.146 120.203 120.200 -0.239 0.000 2.047 251 E HA -0.145 4.206 4.350 0.001 0.000 0.191 251 E C 2.030 178.519 176.600 -0.185 0.000 0.987 251 E CA 0.874 57.151 56.400 -0.205 0.000 0.799 251 E CB -0.108 29.456 29.700 -0.226 0.000 0.752 251 E HN 0.270 nan 8.360 nan 0.000 0.449 252 A N 1.101 123.800 122.820 -0.202 0.000 1.940 252 A HA -0.194 4.127 4.320 0.001 0.000 0.219 252 A C 2.162 179.581 177.584 -0.275 0.000 1.176 252 A CA 1.174 53.092 52.037 -0.198 0.000 0.631 252 A CB -0.638 18.270 19.000 -0.153 0.000 0.814 252 A HN 0.136 nan 8.150 nan 0.000 0.446 253 L N -0.717 120.255 121.223 -0.417 0.000 2.005 253 L HA -0.167 4.174 4.340 0.001 0.000 0.207 253 L C 2.708 179.453 176.870 -0.208 0.000 1.072 253 L CA 1.383 55.998 54.840 -0.374 0.000 0.744 253 L CB -0.599 41.185 42.059 -0.458 0.000 0.895 253 L HN 0.367 nan 8.230 nan 0.000 0.433 254 E N -0.365 119.731 120.200 -0.174 0.000 2.085 254 E HA -0.243 4.108 4.350 0.001 0.000 0.194 254 E C 2.319 178.863 176.600 -0.094 0.000 0.994 254 E CA 1.609 57.940 56.400 -0.114 0.000 0.801 254 E CB -0.323 29.319 29.700 -0.096 0.000 0.743 254 E HN 0.353 nan 8.360 nan 0.000 0.453 255 S N 0.853 116.492 115.700 -0.102 0.000 2.419 255 S HA -0.093 4.378 4.470 0.001 0.000 0.233 255 S C 1.301 175.860 174.600 -0.069 0.000 1.016 255 S CA 0.775 58.929 58.200 -0.077 0.000 0.974 255 S CB -0.055 63.098 63.200 -0.078 0.000 0.786 255 S HN 0.168 nan 8.310 nan 0.000 0.492 256 N N 0.249 118.898 118.700 -0.086 0.000 2.273 256 N HA 0.204 4.944 4.740 0.001 0.000 0.231 256 N C 0.914 176.388 175.510 -0.061 0.000 1.134 256 N CA 0.638 53.647 53.050 -0.069 0.000 0.856 256 N CB 0.784 39.224 38.487 -0.078 0.000 1.068 256 N HN 0.551 nan 8.380 nan 0.000 0.510 257 G N 0.321 109.085 108.800 -0.060 0.000 2.159 257 G HA2 -0.261 3.700 3.960 0.001 0.000 0.256 257 G HA3 -0.261 3.700 3.960 0.001 0.000 0.256 257 G C 0.010 174.879 174.900 -0.052 0.000 0.977 257 G CA 0.098 45.169 45.100 -0.048 0.000 0.652 257 G HN 0.188 nan 8.290 nan 0.000 0.531 258 V N 1.310 121.180 119.914 -0.072 0.000 2.427 258 V HA 0.653 4.774 4.120 0.001 0.000 0.286 258 V C 0.512 176.560 176.094 -0.076 0.000 1.034 258 V CA -0.014 62.243 62.300 -0.072 0.000 0.893 258 V CB 1.746 33.513 31.823 -0.093 0.000 0.982 258 V HN 0.286 nan 8.190 nan 0.000 0.452 259 T N 4.090 118.611 114.554 -0.055 0.000 2.771 259 T HA 0.450 4.801 4.350 0.001 0.000 0.281 259 T C -0.234 174.438 174.700 -0.047 0.000 0.982 259 T CA -0.379 61.691 62.100 -0.050 0.000 0.978 259 T CB 1.453 70.300 68.868 -0.035 0.000 0.930 259 T HN 0.337 nan 8.240 nan 0.000 0.447 260 V N 5.359 125.240 119.914 -0.055 0.000 2.334 260 V HA 0.202 4.323 4.120 0.001 0.000 0.267 260 V C 1.296 177.368 176.094 -0.036 0.000 1.040 260 V CA -0.416 61.856 62.300 -0.048 0.000 0.866 260 V CB 0.778 32.563 31.823 -0.064 0.000 1.019 260 V HN 0.808 nan 8.190 nan 0.000 0.468 261 K N 3.130 123.515 120.400 -0.025 0.000 2.186 261 K HA 0.111 4.432 4.320 0.001 0.000 0.202 261 K C 1.277 177.865 176.600 -0.020 0.000 1.052 261 K CA 0.788 57.064 56.287 -0.018 0.000 0.965 261 K CB 0.338 32.833 32.500 -0.008 0.000 0.746 261 K HN 0.740 nan 8.250 nan 0.000 0.457 262 G N 1.078 109.861 108.800 -0.029 0.000 2.509 262 G HA2 0.094 4.055 3.960 0.001 0.000 0.269 262 G HA3 0.094 4.055 3.960 0.001 0.000 0.269 262 G C -0.212 174.649 174.900 -0.064 0.000 1.416 262 G CA -0.475 44.599 45.100 -0.043 0.000 1.052 262 G HN 0.002 nan 8.290 nan 0.000 0.542 263 D N -1.451 118.892 120.400 -0.096 0.000 2.432 263 D HA 0.433 5.074 4.640 0.001 0.000 0.258 263 D C -0.474 175.732 176.300 -0.158 0.000 1.146 263 D CA -0.057 53.883 54.000 -0.099 0.000 1.015 263 D CB 1.989 42.738 40.800 -0.086 0.000 1.107 263 D HN 0.011 nan 8.370 nan 0.000 0.529 264 V N -0.128 119.723 119.914 -0.106 0.000 2.495 264 V HA 0.722 4.843 4.120 0.001 0.000 0.298 264 V C 0.616 176.657 176.094 -0.090 0.000 1.031 264 V CA -0.320 61.914 62.300 -0.109 0.000 0.871 264 V CB 1.456 33.279 31.823 -0.000 0.000 0.988 264 V HN 0.795 nan 8.190 nan 0.000 0.432 265 G N 3.198 111.917 108.800 -0.136 0.000 2.634 265 G HA2 0.618 4.579 3.960 0.001 0.000 0.309 265 G HA3 0.618 4.579 3.960 0.001 0.000 0.309 265 G C -1.631 173.306 174.900 0.063 0.000 1.299 265 G CA -0.882 44.205 45.100 -0.023 0.000 0.798 265 G HN 0.553 nan 8.290 nan 0.000 0.490 266 L N 0.087 121.393 121.223 0.139 0.000 2.379 266 L HA 0.748 5.089 4.340 0.001 0.000 0.269 266 L C 0.692 177.737 176.870 0.290 0.000 1.084 266 L CA -0.141 54.804 54.840 0.176 0.000 0.802 266 L CB 1.560 43.695 42.059 0.127 0.000 1.175 266 L HN 1.007 nan 8.230 nan 0.000 0.448 267 G N 0.499 109.438 108.800 0.231 0.000 2.433 267 G HA2 0.420 4.381 3.960 0.001 0.000 0.306 267 G HA3 0.420 4.381 3.960 0.001 0.000 0.306 267 G C -1.053 173.959 174.900 0.187 0.000 1.627 267 G CA -0.416 44.770 45.100 0.143 0.000 0.893 267 G HN 0.806 nan 8.290 nan 0.000 0.648 268 G N -0.163 108.661 108.800 0.041 0.000 2.377 268 G HA2 0.591 4.552 3.960 0.001 0.000 0.299 268 G HA3 0.591 4.552 3.960 0.001 0.000 0.299 268 G C 0.343 174.997 174.900 -0.411 0.000 1.150 268 G CA -0.448 44.605 45.100 -0.079 0.000 0.847 268 G HN 1.180 nan 8.290 nan 0.000 0.501 269 V N 4.518 123.990 119.914 -0.736 0.000 2.539 269 V HA -0.044 4.077 4.120 0.001 0.000 0.300 269 V C -0.557 174.979 176.094 -0.929 0.000 1.019 269 V CA -0.424 61.071 62.300 -1.342 0.000 1.160 269 V CB 0.954 32.242 31.823 -0.892 0.000 0.901 269 V HN 0.694 nan 8.190 nan 0.000 0.481 270 P HA -0.261 nan 4.420 nan 0.000 0.214 270 P C 1.068 178.143 177.300 -0.374 0.000 1.172 270 P CA 2.454 65.150 63.100 -0.673 0.000 0.925 270 P CB 0.065 31.297 31.700 -0.781 0.000 0.793 271 A N -3.451 119.188 122.820 -0.301 0.000 3.624 271 A HA -0.213 4.108 4.320 0.001 0.000 0.225 271 A C 1.561 179.134 177.584 -0.019 0.000 0.899 271 A CA 1.221 53.190 52.037 -0.113 0.000 1.848 271 A CB -2.637 16.303 19.000 -0.100 0.000 0.804 271 A HN 0.223 nan 8.150 nan 0.000 0.720 272 D N -0.999 119.398 120.400 -0.005 0.000 2.178 272 D HA -0.076 4.565 4.640 0.001 0.000 0.201 272 D C 0.446 176.896 176.300 0.251 0.000 0.980 272 D CA 1.110 55.180 54.000 0.117 0.000 0.842 272 D CB -0.173 40.725 40.800 0.163 0.000 0.948 272 D HN 0.652 nan 8.370 nan 0.000 0.472 273 W N 2.545 123.811 121.300 -0.057 0.000 2.692 273 W HA 0.092 4.752 4.660 0.001 0.000 0.339 273 W C 1.471 177.966 176.519 -0.041 0.000 1.415 273 W CA -0.507 56.807 57.345 -0.052 0.000 1.389 273 W CB 0.023 29.434 29.460 -0.081 0.000 1.492 273 W HN 0.011 nan 8.180 nan 0.000 0.545 274 Q N 1.102 120.980 119.800 0.129 0.000 2.083 274 Q HA -0.121 4.220 4.340 0.001 0.000 0.198 274 Q C -0.007 176.021 176.000 0.046 0.000 0.969 274 Q CA 1.345 57.187 55.803 0.064 0.000 0.838 274 Q CB 0.133 28.888 28.738 0.028 0.000 0.900 274 Q HN 0.436 nan 8.270 nan 0.000 0.436 275 D N -0.736 119.679 120.400 0.024 0.000 2.328 275 D HA 0.362 5.002 4.640 0.001 0.000 0.243 275 D C -1.457 174.838 176.300 -0.009 0.000 1.324 275 D CA -0.134 53.873 54.000 0.011 0.000 0.966 275 D CB 0.592 41.386 40.800 -0.010 0.000 1.324 275 D HN 0.102 nan 8.370 nan 0.000 0.549 276 A N 2.691 125.542 122.820 0.052 0.000 2.477 276 A HA 0.424 4.745 4.320 0.001 0.000 0.246 276 A C 0.341 177.935 177.584 0.017 0.000 1.078 276 A CA -0.204 51.871 52.037 0.063 0.000 0.770 276 A CB 0.521 19.670 19.000 0.247 0.000 1.011 276 A HN 0.482 nan 8.150 nan 0.000 0.494 277 E N 2.084 122.271 120.200 -0.022 0.000 2.089 277 E HA 0.402 4.753 4.350 0.001 0.000 0.284 277 E C -0.882 175.739 176.600 0.036 0.000 1.023 277 E CA -0.242 56.154 56.400 -0.007 0.000 0.819 277 E CB 0.783 30.461 29.700 -0.037 0.000 1.076 277 E HN 0.334 nan 8.360 nan 0.000 0.396 278 V N 7.609 127.544 119.914 0.035 0.000 2.415 278 V HA 0.027 4.147 4.120 0.001 0.000 0.267 278 V C 1.136 177.254 176.094 0.039 0.000 1.042 278 V CA 0.254 62.579 62.300 0.042 0.000 1.000 278 V CB 0.420 32.254 31.823 0.018 0.000 1.015 278 V HN 0.817 nan 8.190 nan 0.000 0.478 279 L N 4.104 125.364 121.223 0.061 0.000 2.298 279 L HA 0.469 4.809 4.340 0.001 0.000 0.209 279 L C 0.982 177.891 176.870 0.066 0.000 1.084 279 L CA 0.752 55.629 54.840 0.063 0.000 0.816 279 L CB 0.048 42.157 42.059 0.083 0.000 0.967 279 L HN 0.712 nan 8.230 nan 0.000 0.460 280 A N 0.145 123.006 122.820 0.070 0.000 2.520 280 A HA 0.612 4.933 4.320 0.001 0.000 0.298 280 A C -1.772 175.831 177.584 0.032 0.000 1.051 280 A CA -0.557 51.519 52.037 0.065 0.000 0.690 280 A CB 1.496 20.562 19.000 0.111 0.000 1.281 280 A HN 0.158 nan 8.150 nan 0.000 0.402 281 D N -0.424 119.994 120.400 0.031 0.000 2.652 281 D HA 0.724 5.365 4.640 0.001 0.000 0.285 281 D C -0.775 175.573 176.300 0.079 0.000 1.173 281 D CA -0.340 53.672 54.000 0.019 0.000 0.981 281 D CB 0.988 41.776 40.800 -0.021 0.000 1.440 281 D HN 0.727 nan 8.370 nan 0.000 0.485 282 H N -2.062 116.974 119.070 -0.057 0.000 3.085 282 H HA 0.606 5.163 4.556 0.001 0.000 0.356 282 H C -1.661 173.631 175.328 -0.060 0.000 1.178 282 H CA -0.360 55.660 56.048 -0.047 0.000 1.214 282 H CB 2.116 31.855 29.762 -0.039 0.000 1.881 282 H HN 0.362 nan 8.280 nan 0.000 0.538 283 T N 3.489 117.627 114.554 -0.693 0.000 2.812 283 T HA 0.364 4.715 4.350 0.001 0.000 0.282 283 T C -0.172 174.147 174.700 -0.636 0.000 0.990 283 T CA -0.487 61.319 62.100 -0.491 0.000 0.960 283 T CB 0.919 69.607 68.868 -0.299 0.000 0.948 283 T HN 0.749 nan 8.240 nan 0.000 0.438 284 S N 2.708 118.234 115.700 -0.290 0.000 2.598 284 S HA 0.568 5.039 4.470 0.001 0.000 0.256 284 S C 0.874 175.423 174.600 -0.085 0.000 1.350 284 S CA -0.689 57.450 58.200 -0.102 0.000 0.984 284 S CB 0.243 63.481 63.200 0.064 0.000 0.930 284 S HN 0.965 nan 8.310 nan 0.000 0.577 285 A N 0.710 123.516 122.820 -0.024 0.000 2.429 285 A HA 0.279 4.600 4.320 0.001 0.000 0.242 285 A C 0.547 178.146 177.584 0.024 0.000 1.088 285 A CA -0.309 51.729 52.037 0.002 0.000 0.784 285 A CB -0.414 18.607 19.000 0.035 0.000 1.038 285 A HN 0.882 nan 8.150 nan 0.000 0.501 286 E N -0.484 119.732 120.200 0.026 0.000 2.349 286 E HA 0.180 4.530 4.350 0.001 0.000 0.262 286 E C 0.814 177.470 176.600 0.095 0.000 1.088 286 E CA -0.646 55.774 56.400 0.034 0.000 0.899 286 E CB 0.631 30.341 29.700 0.016 0.000 1.044 286 E HN 0.566 nan 8.360 nan 0.000 0.420 287 L N 2.729 124.026 121.223 0.124 0.000 2.081 287 L HA -0.275 4.066 4.340 0.001 0.000 0.212 287 L C 2.220 179.174 176.870 0.141 0.000 1.080 287 L CA 2.472 57.415 54.840 0.171 0.000 0.754 287 L CB -0.822 41.335 42.059 0.163 0.000 0.893 287 L HN 0.689 nan 8.230 nan 0.000 0.433 288 S N -1.409 114.363 115.700 0.120 0.000 2.383 288 S HA -0.177 4.294 4.470 0.001 0.000 0.229 288 S C 1.727 176.409 174.600 0.136 0.000 1.030 288 S CA 1.179 59.457 58.200 0.129 0.000 1.002 288 S CB -0.593 62.680 63.200 0.121 0.000 0.829 288 S HN 0.596 nan 8.310 nan 0.000 0.467 289 E N 1.645 121.921 120.200 0.126 0.000 2.051 289 E HA 0.119 4.470 4.350 0.001 0.000 0.189 289 E C 2.193 178.897 176.600 0.172 0.000 0.979 289 E CA 0.774 57.257 56.400 0.138 0.000 0.803 289 E CB -0.637 29.131 29.700 0.113 0.000 0.761 289 E HN 0.586 nan 8.360 nan 0.000 0.451 290 I N 1.424 122.078 120.570 0.140 0.000 2.315 290 I HA -0.269 3.902 4.170 0.001 0.000 0.251 290 I C 2.419 178.673 176.117 0.228 0.000 1.125 290 I CA 0.842 62.212 61.300 0.116 0.000 1.392 290 I CB -0.272 37.738 38.000 0.016 0.000 1.065 290 I HN 0.042 nan 8.210 nan 0.000 0.424 291 L N -0.147 121.223 121.223 0.244 0.000 2.187 291 L HA -0.220 4.121 4.340 0.001 0.000 0.213 291 L C 2.469 179.486 176.870 0.246 0.000 1.100 291 L CA 1.000 56.025 54.840 0.309 0.000 0.765 291 L CB -0.491 41.695 42.059 0.212 0.000 0.904 291 L HN 0.156 nan 8.230 nan 0.000 0.437 292 V N 0.437 120.492 119.914 0.235 0.000 2.229 292 V HA -0.135 3.986 4.120 0.001 0.000 0.243 292 V C -0.243 175.985 176.094 0.223 0.000 1.042 292 V CA 1.850 64.269 62.300 0.198 0.000 1.000 292 V CB -1.819 30.157 31.823 0.253 0.000 0.637 292 V HN 0.353 nan 8.190 nan 0.000 0.446 293 P HA -0.191 nan 4.420 nan 0.000 0.222 293 P C 1.689 179.281 177.300 0.486 0.000 1.147 293 P CA 1.599 65.007 63.100 0.515 0.000 0.790 293 P CB -0.139 32.004 31.700 0.738 0.000 0.780 294 F N 0.265 120.417 119.950 0.337 0.000 2.118 294 F HA -0.086 4.442 4.527 0.002 0.000 0.293 294 F C 2.051 177.912 175.800 0.101 0.000 1.102 294 F CA 1.127 59.316 58.000 0.314 0.000 1.247 294 F CB -0.263 38.953 39.000 0.360 0.000 1.017 294 F HN -0.311 nan 8.300 nan 0.000 0.475 295 M N 0.459 119.844 119.600 -0.359 0.000 2.334 295 M HA -0.036 4.445 4.480 0.001 0.000 0.266 295 M C 1.842 177.911 176.300 -0.385 0.000 1.082 295 M CA 0.995 55.973 55.300 -0.537 0.000 1.141 295 M CB -0.921 31.373 32.600 -0.511 0.000 1.380 295 M HN 0.088 nan 8.290 nan 0.000 0.440 296 K N 0.094 120.261 120.400 -0.389 0.000 2.057 296 K HA -0.033 4.288 4.320 0.001 0.000 0.206 296 K C 1.463 177.604 176.600 -0.766 0.000 1.050 296 K CA 1.342 57.234 56.287 -0.658 0.000 0.935 296 K CB -0.215 31.697 32.500 -0.980 0.000 0.715 296 K HN 0.308 nan 8.250 nan 0.000 0.439 297 F N 0.039 119.899 119.950 -0.149 0.000 2.682 297 F HA 0.244 4.772 4.527 0.001 0.000 0.308 297 F C 0.530 176.271 175.800 -0.098 0.000 1.093 297 F CA -0.501 57.419 58.000 -0.133 0.000 1.244 297 F CB 0.229 39.140 39.000 -0.148 0.000 1.052 297 F HN -0.238 nan 8.300 nan 0.000 0.573 298 S N 1.367 117.064 115.700 -0.006 0.000 3.766 298 S HA -0.291 4.180 4.470 0.001 0.000 0.416 298 S C 0.058 174.709 174.600 0.085 0.000 0.902 298 S CA 0.042 58.225 58.200 -0.028 0.000 1.283 298 S CB -1.889 61.276 63.200 -0.057 0.000 0.891 298 S HN 0.603 nan 8.310 nan 0.000 0.556 299 N N 1.436 120.251 118.700 0.192 0.000 2.405 299 N HA 0.258 4.999 4.740 0.001 0.000 0.260 299 N C 1.170 176.821 175.510 0.236 0.000 1.152 299 N CA -0.421 52.707 53.050 0.129 0.000 0.948 299 N CB 0.381 38.753 38.487 -0.192 0.000 1.111 299 N HN 0.364 nan 8.380 nan 0.000 0.485 300 N N 2.634 121.419 118.700 0.142 0.000 2.106 300 N HA -0.083 4.658 4.740 0.001 0.000 0.188 300 N C 1.843 177.473 175.510 0.199 0.000 1.029 300 N CA 1.137 54.288 53.050 0.169 0.000 0.848 300 N CB -0.619 37.908 38.487 0.067 0.000 1.007 300 N HN 0.683 nan 8.380 nan 0.000 0.423 301 G N 1.319 110.205 108.800 0.144 0.000 2.513 301 G HA2 -0.304 3.657 3.960 0.001 0.000 0.219 301 G HA3 -0.304 3.657 3.960 0.001 0.000 0.219 301 G C 1.244 176.261 174.900 0.196 0.000 1.160 301 G CA 1.227 46.435 45.100 0.179 0.000 0.767 301 G HN 0.367 nan 8.290 nan 0.000 0.571 302 H N 1.006 120.087 119.070 0.017 0.000 2.289 302 H HA -0.022 4.535 4.556 0.001 0.000 0.296 302 H C 2.915 178.005 175.328 -0.398 0.000 1.091 302 H CA 1.267 57.173 56.048 -0.236 0.000 1.274 302 H CB -0.975 28.560 29.762 -0.378 0.000 1.364 302 H HN 0.389 nan 8.280 nan 0.000 0.490 303 A N 1.355 124.095 122.820 -0.132 0.000 1.902 303 A HA -0.166 4.155 4.320 0.001 0.000 0.217 303 A C 2.280 179.919 177.584 0.092 0.000 1.181 303 A CA 1.715 53.742 52.037 -0.017 0.000 0.623 303 A CB -0.143 19.080 19.000 0.372 0.000 0.818 303 A HN 0.302 nan 8.150 nan 0.000 0.443 304 E N -0.188 120.130 120.200 0.197 0.000 2.106 304 E HA -0.141 4.210 4.350 0.001 0.000 0.192 304 E C 2.053 178.609 176.600 -0.073 0.000 0.984 304 E CA 1.242 57.775 56.400 0.222 0.000 0.806 304 E CB -0.500 29.479 29.700 0.465 0.000 0.750 304 E HN 0.742 nan 8.360 nan 0.000 0.458 305 M N 0.128 119.708 119.600 -0.032 0.000 2.175 305 M HA -0.070 4.411 4.480 0.001 0.000 0.264 305 M C 2.351 178.599 176.300 -0.086 0.000 1.063 305 M CA 1.057 56.337 55.300 -0.032 0.000 1.119 305 M CB -0.263 32.394 32.600 0.095 0.000 1.377 305 M HN 0.038 nan 8.290 nan 0.000 0.415 306 L N -0.656 120.505 121.223 -0.104 0.000 2.141 306 L HA -0.158 4.183 4.340 0.001 0.000 0.209 306 L C 2.411 179.243 176.870 -0.063 0.000 1.094 306 L CA 0.657 55.461 54.840 -0.060 0.000 0.763 306 L CB -0.595 41.397 42.059 -0.111 0.000 0.908 306 L HN 0.128 nan 8.230 nan 0.000 0.437 307 V N 0.069 119.923 119.914 -0.100 0.000 2.307 307 V HA -0.273 3.848 4.120 0.001 0.000 0.245 307 V C 2.449 178.379 176.094 -0.272 0.000 1.045 307 V CA 1.753 63.990 62.300 -0.105 0.000 1.024 307 V CB -0.376 31.452 31.823 0.009 0.000 0.651 307 V HN 0.427 nan 8.190 nan 0.000 0.449 308 K N -0.234 119.825 120.400 -0.568 0.000 2.097 308 K HA -0.107 4.213 4.320 0.001 0.000 0.205 308 K C 2.389 178.659 176.600 -0.549 0.000 1.050 308 K CA 1.504 57.269 56.287 -0.871 0.000 0.938 308 K CB -0.291 31.148 32.500 -1.768 0.000 0.718 308 K HN 0.350 nan 8.250 nan 0.000 0.442 309 S N 1.546 117.120 115.700 -0.210 0.000 2.370 309 S HA -0.136 4.334 4.470 0.001 0.000 0.226 309 S C 1.965 176.588 174.600 0.038 0.000 1.033 309 S CA 1.154 59.474 58.200 0.201 0.000 1.011 309 S CB -0.250 63.197 63.200 0.411 0.000 0.852 309 S HN 0.207 nan 8.310 nan 0.000 0.457 310 I N 1.365 121.912 120.570 -0.039 0.000 2.208 310 I HA -0.194 3.977 4.170 0.001 0.000 0.245 310 I C 2.675 178.747 176.117 -0.075 0.000 1.097 310 I CA 1.217 62.488 61.300 -0.049 0.000 1.363 310 I CB -0.886 37.093 38.000 -0.035 0.000 1.051 310 I HN 0.381 nan 8.210 nan 0.000 0.413 311 G N -0.161 108.558 108.800 -0.135 0.000 2.459 311 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 311 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 311 G C 1.561 176.366 174.900 -0.158 0.000 1.183 311 G CA 0.446 45.453 45.100 -0.154 0.000 0.776 311 G HN 0.284 nan 8.290 nan 0.000 0.552 312 Q N -0.012 119.663 119.800 -0.208 0.000 2.061 312 Q HA -0.138 4.202 4.340 0.001 0.000 0.204 312 Q C 2.490 178.440 176.000 -0.083 0.000 0.984 312 Q CA 1.713 57.358 55.803 -0.263 0.000 0.846 312 Q CB -0.370 28.051 28.738 -0.528 0.000 0.902 312 Q HN 0.537 nan 8.270 nan 0.000 0.421 313 E N -0.318 119.882 120.200 -0.001 0.000 2.110 313 E HA -0.094 4.257 4.350 0.001 0.000 0.193 313 E C 1.666 178.269 176.600 0.006 0.000 0.988 313 E CA 1.500 57.921 56.400 0.035 0.000 0.804 313 E CB -0.069 29.641 29.700 0.016 0.000 0.745 313 E HN 0.186 nan 8.360 nan 0.000 0.458 314 T N -1.631 112.910 114.554 -0.021 0.000 3.031 314 T HA 0.322 4.673 4.350 0.001 0.000 0.254 314 T C 0.992 175.677 174.700 -0.024 0.000 1.060 314 T CA 0.909 62.998 62.100 -0.019 0.000 1.135 314 T CB 0.222 69.076 68.868 -0.023 0.000 0.896 314 T HN 0.223 nan 8.240 nan 0.000 0.472 315 A N -0.614 122.179 122.820 -0.045 0.000 2.701 315 A HA 0.595 4.915 4.320 0.001 0.000 0.241 315 A C 1.349 178.897 177.584 -0.061 0.000 1.231 315 A CA 0.618 52.627 52.037 -0.046 0.000 1.003 315 A CB -0.023 18.948 19.000 -0.049 0.000 1.281 315 A HN 0.584 nan 8.150 nan 0.000 0.600 316 G N -0.565 108.185 108.800 -0.083 0.000 2.198 316 G HA2 0.171 4.132 3.960 0.001 0.000 0.260 316 G HA3 0.171 4.132 3.960 0.001 0.000 0.260 316 G C 0.270 175.077 174.900 -0.154 0.000 1.025 316 G CA 0.485 45.517 45.100 -0.114 0.000 0.769 316 G HN 1.921 nan 8.290 nan 0.000 0.507 317 A N -0.283 122.433 122.820 -0.174 0.000 2.357 317 A HA 0.784 5.105 4.320 0.001 0.000 0.295 317 A C 0.630 178.063 177.584 -0.252 0.000 1.121 317 A CA 0.412 52.339 52.037 -0.184 0.000 0.742 317 A CB 1.348 20.273 19.000 -0.124 0.000 1.181 317 A HN 1.663 nan 8.150 nan 0.000 0.454 318 G N 2.580 111.200 108.800 -0.300 0.000 3.213 318 G HA2 0.440 4.401 3.960 0.001 0.000 0.263 318 G HA3 0.440 4.401 3.960 0.001 0.000 0.263 318 G C 0.346 174.995 174.900 -0.420 0.000 0.829 318 G CA 0.651 45.532 45.100 -0.365 0.000 1.983 318 G HN 1.103 nan 8.290 nan 0.000 0.616 319 T N -3.776 110.548 114.554 -0.383 0.000 2.887 319 T HA 0.382 4.733 4.350 0.001 0.000 0.292 319 T C 0.591 175.102 174.700 -0.315 0.000 1.087 319 T CA -0.936 60.967 62.100 -0.329 0.000 1.009 319 T CB 1.678 70.458 68.868 -0.148 0.000 1.203 319 T HN 0.152 nan 8.240 nan 0.000 0.518 320 W N 0.728 121.919 121.300 -0.181 0.000 2.407 320 W HA 0.010 4.670 4.660 0.001 0.000 0.305 320 W C 1.534 177.982 176.519 -0.120 0.000 1.196 320 W CA 1.360 58.611 57.345 -0.157 0.000 1.311 320 W CB -0.741 28.621 29.460 -0.163 0.000 1.135 320 W HN 0.782 nan 8.180 nan 0.000 0.514 321 D N -0.025 120.442 120.400 0.112 0.000 2.092 321 D HA -0.161 4.479 4.640 0.001 0.000 0.193 321 D C 2.274 178.578 176.300 0.005 0.000 0.994 321 D CA 2.333 56.358 54.000 0.041 0.000 0.828 321 D CB -0.851 39.959 40.800 0.017 0.000 0.963 321 D HN -0.010 nan 8.370 nan 0.000 0.450 322 A N 0.428 123.230 122.820 -0.031 0.000 1.873 322 A HA 0.017 4.338 4.320 0.001 0.000 0.215 322 A C 2.377 179.930 177.584 -0.050 0.000 1.186 322 A CA 2.100 54.106 52.037 -0.052 0.000 0.616 322 A CB -1.129 17.820 19.000 -0.086 0.000 0.823 322 A HN 0.307 nan 8.150 nan 0.000 0.442 323 G N -0.460 108.296 108.800 -0.073 0.000 2.418 323 G HA2 -0.095 3.866 3.960 0.001 0.000 0.217 323 G HA3 -0.095 3.866 3.960 0.001 0.000 0.217 323 G C 1.336 176.238 174.900 0.002 0.000 1.158 323 G CA 1.096 46.157 45.100 -0.064 0.000 0.771 323 G HN 0.328 nan 8.290 nan 0.000 0.545 324 L N 0.561 121.808 121.223 0.040 0.000 2.141 324 L HA 0.051 4.392 4.340 0.001 0.000 0.209 324 L C 3.078 179.964 176.870 0.027 0.000 1.094 324 L CA 0.625 55.498 54.840 0.054 0.000 0.763 324 L CB -0.832 41.267 42.059 0.066 0.000 0.908 324 L HN 0.095 nan 8.230 nan 0.000 0.437 325 V N -0.184 119.737 119.914 0.013 0.000 2.237 325 V HA -0.231 3.890 4.120 0.001 0.000 0.245 325 V C 2.608 178.708 176.094 0.009 0.000 1.046 325 V CA 1.893 64.196 62.300 0.005 0.000 1.007 325 V CB -1.366 30.455 31.823 -0.004 0.000 0.638 325 V HN 0.537 nan 8.190 nan 0.000 0.445 326 G N -0.025 108.777 108.800 0.003 0.000 2.529 326 G HA2 -0.283 3.678 3.960 0.001 0.000 0.219 326 G HA3 -0.283 3.678 3.960 0.001 0.000 0.219 326 G C 1.685 176.600 174.900 0.026 0.000 1.177 326 G CA 1.576 46.680 45.100 0.007 0.000 0.773 326 G HN 0.368 nan 8.290 nan 0.000 0.573 327 V N 0.852 120.788 119.914 0.037 0.000 2.250 327 V HA -0.241 3.880 4.120 0.001 0.000 0.250 327 V C 2.755 178.891 176.094 0.070 0.000 1.060 327 V CA 2.383 64.723 62.300 0.066 0.000 1.030 327 V CB -0.475 31.399 31.823 0.086 0.000 0.643 327 V HN 0.455 nan 8.190 nan 0.000 0.445 328 E N 0.154 120.381 120.200 0.046 0.000 2.077 328 E HA -0.251 4.099 4.350 0.001 0.000 0.193 328 E C 2.233 178.858 176.600 0.041 0.000 0.989 328 E CA 1.795 58.218 56.400 0.037 0.000 0.800 328 E CB -0.107 29.600 29.700 0.012 0.000 0.746 328 E HN 0.727 nan 8.360 nan 0.000 0.452 329 E N -0.149 120.071 120.200 0.033 0.000 2.110 329 E HA -0.149 4.202 4.350 0.001 0.000 0.193 329 E C 1.964 178.590 176.600 0.043 0.000 0.988 329 E CA 1.096 57.515 56.400 0.031 0.000 0.804 329 E CB -0.110 29.602 29.700 0.021 0.000 0.745 329 E HN 0.324 nan 8.360 nan 0.000 0.458 330 A N 0.598 123.449 122.820 0.051 0.000 1.930 330 A HA -0.152 4.168 4.320 0.001 0.000 0.217 330 A C 2.108 179.744 177.584 0.086 0.000 1.175 330 A CA 0.982 53.058 52.037 0.065 0.000 0.627 330 A CB -0.509 18.527 19.000 0.061 0.000 0.815 330 A HN 0.151 nan 8.150 nan 0.000 0.443 331 L N -0.514 120.769 121.223 0.099 0.000 2.005 331 L HA -0.159 4.182 4.340 0.001 0.000 0.207 331 L C 2.908 179.834 176.870 0.094 0.000 1.072 331 L CA 1.502 56.417 54.840 0.124 0.000 0.744 331 L CB -0.560 41.601 42.059 0.170 0.000 0.895 331 L HN 0.326 nan 8.230 nan 0.000 0.433 332 S N 0.228 115.971 115.700 0.071 0.000 2.374 332 S HA -0.206 4.265 4.470 0.001 0.000 0.227 332 S C 1.986 176.614 174.600 0.045 0.000 1.037 332 S CA 1.441 59.672 58.200 0.051 0.000 1.024 332 S CB -0.870 62.352 63.200 0.037 0.000 0.861 332 S HN 0.637 nan 8.310 nan 0.000 0.456 333 G N 0.930 109.759 108.800 0.048 0.000 2.448 333 G HA2 -0.121 3.840 3.960 0.001 0.000 0.219 333 G HA3 -0.121 3.840 3.960 0.001 0.000 0.219 333 G C 1.217 176.144 174.900 0.045 0.000 1.127 333 G CA 0.483 45.609 45.100 0.044 0.000 0.766 333 G HN 0.438 nan 8.290 nan 0.000 0.552 334 L N 0.530 121.789 121.223 0.060 0.000 2.552 334 L HA 0.340 4.681 4.340 0.001 0.000 0.227 334 L C 1.927 178.808 176.870 0.018 0.000 1.146 334 L CA 1.263 56.133 54.840 0.049 0.000 0.858 334 L CB -0.129 41.985 42.059 0.091 0.000 0.969 334 L HN 0.397 nan 8.230 nan 0.000 0.451 335 G N -1.468 107.348 108.800 0.027 0.000 2.176 335 G HA2 -0.207 3.754 3.960 0.001 0.000 0.232 335 G HA3 -0.207 3.754 3.960 0.001 0.000 0.232 335 G C 0.209 175.127 174.900 0.030 0.000 0.986 335 G CA 0.097 45.208 45.100 0.018 0.000 0.643 335 G HN 0.200 nan 8.290 nan 0.000 0.522 336 V N 1.396 121.341 119.914 0.052 0.000 2.583 336 V HA 0.455 4.576 4.120 0.001 0.000 0.287 336 V C 0.481 176.617 176.094 0.071 0.000 1.051 336 V CA -0.138 62.208 62.300 0.076 0.000 1.010 336 V CB 1.702 33.602 31.823 0.128 0.000 0.988 336 V HN 0.373 nan 8.190 nan 0.000 0.478 337 D N 3.200 123.639 120.400 0.066 0.000 2.325 337 D HA 0.159 4.800 4.640 0.001 0.000 0.251 337 D C 0.975 177.306 176.300 0.051 0.000 1.196 337 D CA -0.056 53.974 54.000 0.049 0.000 0.866 337 D CB 1.430 42.254 40.800 0.039 0.000 1.101 337 D HN 0.715 nan 8.370 nan 0.000 0.476 338 T N 1.016 115.589 114.554 0.032 0.000 3.186 338 T HA 0.398 4.748 4.350 0.001 0.000 0.257 338 T C 1.533 176.223 174.700 -0.017 0.000 1.029 338 T CA 0.125 62.228 62.100 0.006 0.000 0.916 338 T CB 0.331 69.201 68.868 0.003 0.000 1.041 338 T HN 0.265 nan 8.240 nan 0.000 0.562 339 A N 1.890 124.708 122.820 -0.004 0.000 1.883 339 A HA 0.239 4.559 4.320 0.001 0.000 0.217 339 A C 2.418 179.989 177.584 -0.020 0.000 1.186 339 A CA 1.444 53.476 52.037 -0.009 0.000 0.624 339 A CB -1.325 17.675 19.000 0.001 0.000 0.822 339 A HN 0.639 nan 8.150 nan 0.000 0.444 340 G N -1.398 107.389 108.800 -0.021 0.000 2.985 340 G HA2 0.367 4.328 3.960 0.001 0.000 0.209 340 G HA3 0.367 4.328 3.960 0.001 0.000 0.209 340 G C 0.370 175.232 174.900 -0.062 0.000 1.165 340 G CA -0.308 44.775 45.100 -0.029 0.000 0.776 340 G HN 0.366 nan 8.290 nan 0.000 0.541 341 L N 1.528 122.693 121.223 -0.096 0.000 2.305 341 L HA 0.407 4.747 4.340 0.001 0.000 0.281 341 L C -0.644 176.153 176.870 -0.122 0.000 1.085 341 L CA -0.491 54.249 54.840 -0.168 0.000 0.813 341 L CB 1.906 43.813 42.059 -0.254 0.000 1.157 341 L HN -0.177 nan 8.230 nan 0.000 0.436 342 V N 6.100 125.943 119.914 -0.119 0.000 2.407 342 V HA 0.354 4.474 4.120 0.001 0.000 0.291 342 V C -0.081 175.961 176.094 -0.086 0.000 1.018 342 V CA -0.482 61.769 62.300 -0.081 0.000 0.842 342 V CB 1.721 33.511 31.823 -0.055 0.000 0.996 342 V HN 0.510 nan 8.190 nan 0.000 0.426 343 L N 4.319 125.499 121.223 -0.071 0.000 2.276 343 L HA 0.514 4.855 4.340 0.001 0.000 0.286 343 L C 0.728 177.572 176.870 -0.043 0.000 1.024 343 L CA -0.203 54.605 54.840 -0.053 0.000 0.826 343 L CB 1.195 43.233 42.059 -0.035 0.000 1.211 343 L HN 0.590 nan 8.230 nan 0.000 0.422 344 N N 0.835 119.506 118.700 -0.048 0.000 2.397 344 N HA 0.007 4.748 4.740 0.001 0.000 0.190 344 N C -0.419 174.994 175.510 -0.162 0.000 1.099 344 N CA 0.252 53.243 53.050 -0.100 0.000 0.876 344 N CB 0.763 39.194 38.487 -0.095 0.000 1.143 344 N HN 0.806 nan 8.380 nan 0.000 0.468 345 D N -3.207 117.168 120.400 -0.041 0.000 2.759 345 D HA 0.331 4.972 4.640 0.001 0.000 0.321 345 D C 0.807 177.218 176.300 0.184 0.000 1.267 345 D CA -0.561 53.456 54.000 0.030 0.000 0.933 345 D CB 0.357 41.188 40.800 0.051 0.000 1.431 345 D HN -0.084 nan 8.370 nan 0.000 0.504 346 G N -1.114 107.867 108.800 0.302 0.000 2.595 346 G HA2 0.009 3.970 3.960 0.001 0.000 0.213 346 G HA3 0.009 3.970 3.960 0.001 0.000 0.213 346 G C 1.178 176.259 174.900 0.302 0.000 1.141 346 G CA 0.838 46.112 45.100 0.289 0.000 0.806 346 G HN 0.568 nan 8.290 nan 0.000 0.530 347 S N -0.745 115.146 115.700 0.318 0.000 2.425 347 S HA 0.349 4.820 4.470 0.001 0.000 0.225 347 S C 1.985 176.685 174.600 0.166 0.000 1.024 347 S CA 1.253 59.615 58.200 0.270 0.000 0.951 347 S CB 0.005 63.356 63.200 0.252 0.000 0.796 347 S HN 1.449 nan 8.310 nan 0.000 0.498 348 G N 1.017 109.908 108.800 0.151 0.000 2.213 348 G HA2 -0.231 3.730 3.960 0.001 0.000 0.226 348 G HA3 -0.231 3.730 3.960 0.001 0.000 0.226 348 G C 0.608 175.510 174.900 0.003 0.000 0.992 348 G CA 0.254 45.399 45.100 0.074 0.000 0.632 348 G HN 0.444 nan 8.290 nan 0.000 0.511 349 L N 1.112 122.317 121.223 -0.030 0.000 2.081 349 L HA 0.032 4.373 4.340 0.001 0.000 0.212 349 L C 1.908 178.700 176.870 -0.130 0.000 1.080 349 L CA 1.882 56.583 54.840 -0.232 0.000 0.754 349 L CB -0.426 41.251 42.059 -0.636 0.000 0.893 349 L HN 0.465 nan 8.230 nan 0.000 0.433 350 S N -0.415 115.384 115.700 0.166 0.000 2.549 350 S HA 0.053 4.524 4.470 0.001 0.000 0.279 350 S C 1.055 175.687 174.600 0.054 0.000 1.321 350 S CA -0.334 58.001 58.200 0.225 0.000 1.054 350 S CB 0.743 64.078 63.200 0.226 0.000 0.899 350 S HN 0.269 nan 8.310 nan 0.000 0.497 351 R N 3.101 123.625 120.500 0.040 0.000 2.310 351 R HA 0.118 4.459 4.340 0.001 0.000 0.202 351 R C 1.793 178.114 176.300 0.035 0.000 0.933 351 R CA 0.481 56.595 56.100 0.023 0.000 1.054 351 R CB -0.105 30.224 30.300 0.049 0.000 0.985 351 R HN 0.737 nan 8.270 nan 0.000 0.489 352 G N 0.178 108.996 108.800 0.029 0.000 2.985 352 G HA2 -0.046 3.915 3.960 0.001 0.000 0.209 352 G HA3 -0.046 3.915 3.960 0.001 0.000 0.209 352 G C 0.170 175.062 174.900 -0.013 0.000 1.165 352 G CA -0.274 44.827 45.100 0.003 0.000 0.776 352 G HN 0.130 nan 8.290 nan 0.000 0.541 353 N N 0.440 119.136 118.700 -0.006 0.000 2.518 353 N HA 0.538 5.278 4.740 0.001 0.000 0.283 353 N C -0.776 174.718 175.510 -0.026 0.000 1.119 353 N CA 0.019 53.057 53.050 -0.020 0.000 0.983 353 N CB 2.041 40.527 38.487 -0.003 0.000 1.139 353 N HN -0.001 nan 8.380 nan 0.000 0.465 354 L N 0.974 122.167 121.223 -0.050 0.000 2.422 354 L HA 0.589 4.930 4.340 0.001 0.000 0.264 354 L C -0.056 176.763 176.870 -0.086 0.000 0.984 354 L CA -1.029 53.783 54.840 -0.047 0.000 0.819 354 L CB 2.042 44.080 42.059 -0.036 0.000 1.330 354 L HN 0.245 nan 8.230 nan 0.000 0.410 355 V N -1.291 118.591 119.914 -0.053 0.000 3.155 355 V HA 0.903 5.024 4.120 0.001 0.000 0.313 355 V C -0.178 175.918 176.094 0.003 0.000 1.162 355 V CA -0.473 61.791 62.300 -0.060 0.000 1.048 355 V CB 2.050 33.880 31.823 0.012 0.000 1.092 355 V HN 0.835 nan 8.190 nan 0.000 0.447 356 T N -1.725 112.848 114.554 0.032 0.000 2.942 356 T HA 0.776 5.127 4.350 0.001 0.000 0.289 356 T C 0.962 175.718 174.700 0.094 0.000 1.044 356 T CA -0.100 62.033 62.100 0.054 0.000 1.023 356 T CB 1.644 70.537 68.868 0.041 0.000 1.123 356 T HN 1.575 nan 8.240 nan 0.000 0.512 357 A N 0.807 123.677 122.820 0.083 0.000 1.969 357 A HA -0.021 4.300 4.320 0.001 0.000 0.218 357 A C 1.938 179.575 177.584 0.087 0.000 1.169 357 A CA 1.399 53.490 52.037 0.089 0.000 0.635 357 A CB -0.960 18.091 19.000 0.086 0.000 0.810 357 A HN 0.907 nan 8.150 nan 0.000 0.445 358 D N -0.200 120.247 120.400 0.078 0.000 2.123 358 D HA -0.117 4.524 4.640 0.001 0.000 0.196 358 D C 1.984 178.340 176.300 0.094 0.000 0.992 358 D CA 1.967 56.011 54.000 0.072 0.000 0.833 358 D CB -0.560 40.273 40.800 0.055 0.000 0.954 358 D HN 0.427 nan 8.370 nan 0.000 0.455 359 T N 0.642 115.271 114.554 0.126 0.000 2.746 359 T HA -0.085 4.266 4.350 0.001 0.000 0.267 359 T C 2.307 177.182 174.700 0.292 0.000 1.039 359 T CA 0.772 62.993 62.100 0.201 0.000 1.142 359 T CB -0.329 68.653 68.868 0.191 0.000 0.866 359 T HN -0.013 nan 8.240 nan 0.000 0.444 360 V N 1.209 121.286 119.914 0.271 0.000 2.343 360 V HA -0.126 3.995 4.120 0.001 0.000 0.247 360 V C 2.681 178.764 176.094 -0.019 0.000 1.051 360 V CA 1.199 63.568 62.300 0.115 0.000 1.036 360 V CB -0.750 31.121 31.823 0.080 0.000 0.654 360 V HN 0.303 nan 8.190 nan 0.000 0.451 361 V N 0.445 120.368 119.914 0.016 0.000 2.427 361 V HA -0.252 3.869 4.120 0.001 0.000 0.248 361 V C 2.404 178.509 176.094 0.019 0.000 1.051 361 V CA 2.253 64.550 62.300 -0.005 0.000 1.048 361 V CB -0.615 31.227 31.823 0.030 0.000 0.666 361 V HN 0.615 nan 8.190 nan 0.000 0.456 362 D N 0.151 120.580 120.400 0.048 0.000 2.092 362 D HA -0.185 4.456 4.640 0.001 0.000 0.193 362 D C 2.059 178.377 176.300 0.030 0.000 0.994 362 D CA 1.613 55.643 54.000 0.051 0.000 0.828 362 D CB -0.267 40.579 40.800 0.077 0.000 0.963 362 D HN 0.273 nan 8.370 nan 0.000 0.450 363 L N 0.638 121.875 121.223 0.023 0.000 1.990 363 L HA -0.171 4.170 4.340 0.001 0.000 0.213 363 L C 2.415 179.249 176.870 -0.061 0.000 1.072 363 L CA 1.660 56.469 54.840 -0.051 0.000 0.755 363 L CB -0.866 41.060 42.059 -0.222 0.000 0.889 363 L HN 0.175 nan 8.230 nan 0.000 0.432 364 L N -0.690 120.521 121.223 -0.020 0.000 2.079 364 L HA -0.176 4.165 4.340 0.001 0.000 0.210 364 L C 2.519 179.511 176.870 0.203 0.000 1.081 364 L CA 1.336 56.229 54.840 0.088 0.000 0.752 364 L CB -1.403 40.555 42.059 -0.168 0.000 0.896 364 L HN 0.526 nan 8.230 nan 0.000 0.433 365 G N -1.147 107.711 108.800 0.096 0.000 2.402 365 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 365 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 365 G C 1.533 176.427 174.900 -0.009 0.000 1.162 365 G CA 0.208 45.354 45.100 0.077 0.000 0.777 365 G HN 0.266 nan 8.290 nan 0.000 0.539 366 Q N 0.584 120.351 119.800 -0.056 0.000 2.049 366 Q HA 0.095 4.436 4.340 0.001 0.000 0.198 366 Q C 2.964 178.798 176.000 -0.276 0.000 0.971 366 Q CA 1.319 57.045 55.803 -0.129 0.000 0.833 366 Q CB -0.888 27.797 28.738 -0.087 0.000 0.896 366 Q HN 0.415 nan 8.270 nan 0.000 0.434 367 A N 1.029 123.650 122.820 -0.332 0.000 1.972 367 A HA -0.078 4.243 4.320 0.001 0.000 0.219 367 A C 2.296 179.489 177.584 -0.652 0.000 1.169 367 A CA 1.712 53.338 52.037 -0.685 0.000 0.635 367 A CB -1.011 17.325 19.000 -1.106 0.000 0.810 367 A HN 0.446 nan 8.150 nan 0.000 0.446 368 G N -0.580 108.055 108.800 -0.275 0.000 2.509 368 G HA2 -0.035 3.926 3.960 0.001 0.000 0.218 368 G HA3 -0.035 3.926 3.960 0.001 0.000 0.218 368 G C 1.550 176.300 174.900 -0.249 0.000 1.124 368 G CA 1.504 46.480 45.100 -0.208 0.000 0.776 368 G HN 0.920 nan 8.290 nan 0.000 0.547 369 S N -0.947 114.577 115.700 -0.294 0.000 2.559 369 S HA 0.657 5.128 4.470 0.001 0.000 0.226 369 S C 1.078 175.461 174.600 -0.362 0.000 1.000 369 S CA 0.404 58.449 58.200 -0.259 0.000 0.948 369 S CB 0.477 63.573 63.200 -0.173 0.000 0.870 369 S HN 0.477 nan 8.310 nan 0.000 0.497 370 A N 2.687 125.137 122.820 -0.617 0.000 2.366 370 A HA 0.604 4.925 4.320 0.001 0.000 0.249 370 A C -1.211 175.939 177.584 -0.724 0.000 1.084 370 A CA -1.404 50.130 52.037 -0.838 0.000 0.794 370 A CB -0.109 17.932 19.000 -1.598 0.000 1.034 370 A HN 0.247 nan 8.150 nan 0.000 0.491 371 P HA -0.124 nan 4.420 nan 0.000 0.219 371 P C 0.929 178.156 177.300 -0.122 0.000 1.146 371 P CA 1.406 64.361 63.100 -0.242 0.000 0.808 371 P CB -0.031 31.609 31.700 -0.101 0.000 0.779 372 W N -1.939 119.365 121.300 0.006 0.000 3.405 372 W HA 0.571 5.232 4.660 0.002 0.000 0.300 372 W C 1.046 177.611 176.519 0.077 0.000 1.286 372 W CA 0.069 57.442 57.345 0.047 0.000 1.762 372 W CB -1.263 28.235 29.460 0.064 0.000 1.087 372 W HN -0.114 nan 8.180 nan 0.000 0.703 373 A N 1.659 124.474 122.820 -0.009 0.000 1.986 373 A HA -0.305 4.015 4.320 0.001 0.000 0.220 373 A C 2.137 179.872 177.584 0.253 0.000 1.171 373 A CA 2.143 54.208 52.037 0.046 0.000 0.640 373 A CB -0.714 18.180 19.000 -0.176 0.000 0.811 373 A HN 0.468 nan 8.150 nan 0.000 0.451 374 Q N -1.842 118.068 119.800 0.183 0.000 2.269 374 Q HA -0.071 4.270 4.340 0.001 0.000 0.201 374 Q C 2.020 178.141 176.000 0.202 0.000 0.946 374 Q CA 1.361 57.259 55.803 0.157 0.000 0.877 374 Q CB -0.066 28.727 28.738 0.092 0.000 0.963 374 Q HN 0.603 nan 8.270 nan 0.000 0.472 375 T N -0.252 114.460 114.554 0.264 0.000 3.055 375 T HA -0.109 4.241 4.350 0.001 0.000 0.265 375 T C 1.052 175.940 174.700 0.313 0.000 1.111 375 T CA 0.655 62.907 62.100 0.252 0.000 1.118 375 T CB -0.204 68.804 68.868 0.233 0.000 0.909 375 T HN 0.552 nan 8.240 nan 0.000 0.501 376 W N 0.921 122.362 121.300 0.235 0.000 2.413 376 W HA -0.027 4.634 4.660 0.001 0.000 0.315 376 W C 2.089 178.699 176.519 0.151 0.000 1.186 376 W CA 0.979 58.464 57.345 0.233 0.000 1.326 376 W CB -0.709 29.032 29.460 0.469 0.000 1.153 376 W HN 0.192 nan 8.180 nan 0.000 0.489 377 S N 1.103 116.939 115.700 0.227 0.000 2.399 377 S HA -0.127 4.344 4.470 0.001 0.000 0.231 377 S C 2.020 176.609 174.600 -0.019 0.000 1.022 377 S CA 1.579 59.799 58.200 0.033 0.000 0.983 377 S CB -0.580 62.668 63.200 0.080 0.000 0.803 377 S HN 0.389 nan 8.310 nan 0.000 0.480 378 A N 1.288 124.129 122.820 0.036 0.000 2.014 378 A HA -0.032 4.289 4.320 0.001 0.000 0.218 378 A C 2.226 179.801 177.584 -0.015 0.000 1.163 378 A CA 1.556 53.607 52.037 0.024 0.000 0.652 378 A CB -0.606 18.433 19.000 0.065 0.000 0.808 378 A HN 0.604 nan 8.150 nan 0.000 0.449 379 S N -0.426 115.244 115.700 -0.050 0.000 2.453 379 S HA 0.157 4.628 4.470 0.001 0.000 0.231 379 S C 0.675 175.149 174.600 -0.210 0.000 1.005 379 S CA -0.080 58.058 58.200 -0.103 0.000 0.949 379 S CB -0.616 62.522 63.200 -0.103 0.000 0.774 379 S HN 0.386 nan 8.310 nan 0.000 0.510 380 L N 2.600 123.679 121.223 -0.240 0.000 2.380 380 L HA 0.350 4.691 4.340 0.001 0.000 0.273 380 L C -2.470 174.284 176.870 -0.194 0.000 1.138 380 L CA -2.254 52.427 54.840 -0.266 0.000 0.832 380 L CB 0.092 41.998 42.059 -0.255 0.000 1.124 380 L HN -0.000 nan 8.230 nan 0.000 0.454 381 P HA -0.010 nan 4.420 nan 0.000 0.265 381 P C -0.773 176.462 177.300 -0.108 0.000 1.193 381 P CA -0.035 62.955 63.100 -0.183 0.000 0.765 381 P CB 0.543 32.125 31.700 -0.197 0.000 0.823 382 V N 3.091 122.956 119.914 -0.082 0.000 2.370 382 V HA 0.443 4.564 4.120 0.001 0.000 0.279 382 V C 0.670 176.741 176.094 -0.039 0.000 1.029 382 V CA -1.105 61.169 62.300 -0.044 0.000 0.870 382 V CB 0.790 32.594 31.823 -0.031 0.000 0.984 382 V HN 0.687 nan 8.190 nan 0.000 0.451 383 A N 3.959 126.764 122.820 -0.025 0.000 2.584 383 A HA 0.418 4.739 4.320 0.001 0.000 0.239 383 A C 1.610 179.177 177.584 -0.027 0.000 1.043 383 A CA 0.810 52.832 52.037 -0.025 0.000 0.756 383 A CB -0.647 18.341 19.000 -0.020 0.000 0.963 383 A HN 2.328 nan 8.150 nan 0.000 0.511 384 G N 1.485 110.270 108.800 -0.025 0.000 2.168 384 G HA2 -0.205 3.756 3.960 0.001 0.000 0.257 384 G HA3 -0.205 3.756 3.960 0.001 0.000 0.257 384 G C -0.007 174.886 174.900 -0.012 0.000 0.997 384 G CA 0.534 45.623 45.100 -0.019 0.000 0.708 384 G HN 0.852 nan 8.290 nan 0.000 0.520 385 E N 0.456 120.649 120.200 -0.012 0.000 2.115 385 E HA 0.395 4.745 4.350 0.001 0.000 0.282 385 E C 1.377 177.982 176.600 0.010 0.000 0.987 385 E CA 0.337 56.736 56.400 -0.002 0.000 0.797 385 E CB 1.341 31.039 29.700 -0.004 0.000 1.086 385 E HN 0.347 nan 8.360 nan 0.000 0.397 386 S N 2.178 117.890 115.700 0.020 0.000 2.453 386 S HA -0.121 4.350 4.470 0.001 0.000 0.231 386 S C 0.700 175.334 174.600 0.055 0.000 1.005 386 S CA 0.306 58.524 58.200 0.031 0.000 0.949 386 S CB 0.157 63.373 63.200 0.027 0.000 0.774 386 S HN 0.372 nan 8.310 nan 0.000 0.510 387 D N 2.964 123.404 120.400 0.066 0.000 2.358 387 D HA 0.214 4.854 4.640 0.001 0.000 0.258 387 D C -1.656 174.731 176.300 0.144 0.000 1.223 387 D CA -2.040 52.027 54.000 0.111 0.000 0.886 387 D CB 1.524 42.390 40.800 0.110 0.000 1.120 387 D HN 0.088 nan 8.370 nan 0.000 0.482 388 P HA -0.131 nan 4.420 nan 0.000 0.216 388 P C 1.138 178.534 177.300 0.159 0.000 1.153 388 P CA 0.965 64.215 63.100 0.251 0.000 0.858 388 P CB -0.026 31.876 31.700 0.336 0.000 0.789 389 F N -1.681 118.400 119.950 0.219 0.000 2.641 389 F HA -0.080 4.448 4.527 0.001 0.000 0.298 389 F C 1.933 177.707 175.800 -0.044 0.000 1.146 389 F CA 0.756 58.816 58.000 0.100 0.000 1.464 389 F CB -0.387 38.710 39.000 0.162 0.000 1.101 389 F HN -0.208 nan 8.300 nan 0.000 0.585 390 V N -1.880 118.083 119.914 0.081 0.000 2.854 390 V HA 0.158 4.279 4.120 0.001 0.000 0.236 390 V C 2.398 178.453 176.094 -0.064 0.000 1.157 390 V CA 1.239 63.548 62.300 0.016 0.000 1.187 390 V CB -0.720 31.131 31.823 0.047 0.000 0.949 390 V HN 0.219 nan 8.190 nan 0.000 0.488 391 G N -0.496 108.270 108.800 -0.056 0.000 2.464 391 G HA2 0.299 4.260 3.960 0.001 0.000 0.217 391 G HA3 0.299 4.260 3.960 0.001 0.000 0.217 391 G C 1.229 176.035 174.900 -0.156 0.000 1.138 391 G CA 1.082 46.134 45.100 -0.079 0.000 0.793 391 G HN 0.806 nan 8.290 nan 0.000 0.539 392 G N 0.388 109.028 108.800 -0.266 0.000 2.672 392 G HA2 -0.416 3.545 3.960 0.001 0.000 0.324 392 G HA3 -0.416 3.545 3.960 0.001 0.000 0.324 392 G C 1.525 176.326 174.900 -0.165 0.000 1.286 392 G CA 2.550 47.372 45.100 -0.463 0.000 1.004 392 G HN 1.207 nan 8.290 nan 0.000 0.548 393 T N -1.400 113.057 114.554 -0.163 0.000 3.163 393 T HA 0.325 4.676 4.350 0.001 0.000 0.260 393 T C 1.694 176.355 174.700 -0.065 0.000 1.156 393 T CA 1.554 63.611 62.100 -0.072 0.000 1.072 393 T CB 0.147 68.966 68.868 -0.081 0.000 0.937 393 T HN 0.383 nan 8.240 nan 0.000 0.528 394 L N 0.345 121.521 121.223 -0.079 0.000 2.728 394 L HA 0.610 4.951 4.340 0.001 0.000 0.238 394 L C 2.267 179.114 176.870 -0.039 0.000 1.143 394 L CA -0.368 54.438 54.840 -0.056 0.000 0.937 394 L CB -0.691 41.333 42.059 -0.059 0.000 1.225 394 L HN 0.338 nan 8.230 nan 0.000 0.507 395 A N -0.077 122.724 122.820 -0.031 0.000 1.933 395 A HA -0.153 4.168 4.320 0.001 0.000 0.218 395 A C 1.752 179.332 177.584 -0.007 0.000 1.175 395 A CA 1.620 53.651 52.037 -0.011 0.000 0.628 395 A CB -0.255 18.753 19.000 0.014 0.000 0.814 395 A HN 0.476 nan 8.150 nan 0.000 0.444 396 N N -0.532 118.162 118.700 -0.010 0.000 2.270 396 N HA 0.111 4.852 4.740 0.001 0.000 0.198 396 N C -0.043 175.456 175.510 -0.017 0.000 1.117 396 N CA 0.170 53.214 53.050 -0.010 0.000 0.845 396 N CB 0.355 38.837 38.487 -0.008 0.000 0.980 396 N HN 0.462 nan 8.380 nan 0.000 0.486 397 R N -0.112 120.375 120.500 -0.022 0.000 2.664 397 R HA 0.419 4.760 4.340 0.001 0.000 0.286 397 R C 0.644 176.928 176.300 -0.027 0.000 0.967 397 R CA -0.514 55.570 56.100 -0.027 0.000 0.933 397 R CB 1.370 31.651 30.300 -0.031 0.000 1.146 397 R HN -0.045 nan 8.270 nan 0.000 0.468 398 M N -0.036 119.546 119.600 -0.030 0.000 2.856 398 M HA -0.288 4.193 4.480 0.001 0.000 0.189 398 M C -0.449 175.836 176.300 -0.025 0.000 0.612 398 M CA 1.072 56.353 55.300 -0.031 0.000 0.673 398 M CB -1.319 31.259 32.600 -0.038 0.000 2.440 398 M HN 0.557 nan 8.290 nan 0.000 0.437 399 R N 1.012 121.500 120.500 -0.020 0.000 2.570 399 R HA 0.268 4.609 4.340 0.001 0.000 0.277 399 R C 1.413 177.705 176.300 -0.014 0.000 1.039 399 R CA 1.061 57.152 56.100 -0.015 0.000 1.065 399 R CB 0.166 30.460 30.300 -0.011 0.000 0.964 399 R HN 0.539 nan 8.270 nan 0.000 0.428 400 G N 1.747 110.540 108.800 -0.011 0.000 2.160 400 G HA2 -0.304 3.656 3.960 0.001 0.000 0.251 400 G HA3 -0.304 3.656 3.960 0.001 0.000 0.251 400 G C 0.184 175.078 174.900 -0.009 0.000 1.008 400 G CA 0.754 45.849 45.100 -0.008 0.000 0.724 400 G HN 0.755 nan 8.290 nan 0.000 0.514 401 T N -4.219 110.326 114.554 -0.014 0.000 2.942 401 T HA 0.806 5.157 4.350 0.001 0.000 0.289 401 T C 1.558 176.252 174.700 -0.011 0.000 1.044 401 T CA 0.326 62.418 62.100 -0.014 0.000 1.023 401 T CB 1.785 70.639 68.868 -0.024 0.000 1.123 401 T HN 1.435 nan 8.240 nan 0.000 0.512 402 A N 0.776 123.597 122.820 0.001 0.000 2.093 402 A HA 0.077 4.397 4.320 0.001 0.000 0.222 402 A C 2.345 179.918 177.584 -0.018 0.000 1.162 402 A CA 2.053 54.103 52.037 0.022 0.000 0.655 402 A CB -1.389 17.643 19.000 0.053 0.000 0.805 402 A HN 1.356 nan 8.150 nan 0.000 0.461 403 A N -0.742 122.055 122.820 -0.038 0.000 2.208 403 A HA 0.166 4.486 4.320 0.001 0.000 0.209 403 A C 0.940 178.482 177.584 -0.070 0.000 1.161 403 A CA 0.452 52.450 52.037 -0.064 0.000 0.782 403 A CB -0.277 18.689 19.000 -0.057 0.000 0.816 403 A HN 0.640 nan 8.150 nan 0.000 0.477 404 E N -0.079 120.088 120.200 -0.055 0.000 2.366 404 E HA 0.320 4.671 4.350 0.001 0.000 0.266 404 E C 1.154 177.718 176.600 -0.060 0.000 1.015 404 E CA 0.521 56.894 56.400 -0.045 0.000 0.906 404 E CB -0.036 29.648 29.700 -0.027 0.000 0.979 404 E HN 0.630 nan 8.360 nan 0.000 0.443 405 G N 2.686 111.457 108.800 -0.049 0.000 2.168 405 G HA2 -0.286 3.675 3.960 0.001 0.000 0.263 405 G HA3 -0.286 3.675 3.960 0.001 0.000 0.263 405 G C 0.549 175.403 174.900 -0.077 0.000 0.977 405 G CA 0.444 45.515 45.100 -0.048 0.000 0.659 405 G HN 0.459 nan 8.290 nan 0.000 0.533 406 V N -0.705 119.144 119.914 -0.108 0.000 3.001 406 V HA 0.241 4.362 4.120 0.001 0.000 0.228 406 V C 1.753 177.817 176.094 -0.051 0.000 1.204 406 V CA 0.717 62.918 62.300 -0.165 0.000 1.247 406 V CB 0.192 31.766 31.823 -0.415 0.000 1.093 406 V HN 0.185 nan 8.190 nan 0.000 0.504 407 V N 2.324 122.228 119.914 -0.017 0.000 2.540 407 V HA 0.039 4.159 4.120 0.001 0.000 0.297 407 V C -0.004 176.140 176.094 0.083 0.000 1.024 407 V CA 0.535 62.886 62.300 0.085 0.000 1.105 407 V CB 0.252 32.125 31.823 0.083 0.000 0.938 407 V HN 0.533 nan 8.190 nan 0.000 0.482 408 E N 3.697 123.976 120.200 0.132 0.000 2.145 408 E HA 0.733 5.084 4.350 0.001 0.000 0.270 408 E C -0.384 176.229 176.600 0.021 0.000 0.906 408 E CA -0.285 56.158 56.400 0.071 0.000 0.761 408 E CB 1.802 31.565 29.700 0.106 0.000 1.116 408 E HN 0.842 nan 8.360 nan 0.000 0.408 409 A N 3.025 125.810 122.820 -0.059 0.000 2.547 409 A HA 0.549 4.870 4.320 0.001 0.000 0.297 409 A C -1.306 176.168 177.584 -0.183 0.000 1.056 409 A CA -0.885 51.066 52.037 -0.144 0.000 0.688 409 A CB 1.458 20.474 19.000 0.027 0.000 1.282 409 A HN 0.384 nan 8.150 nan 0.000 0.400 410 K N 1.160 121.409 120.400 -0.251 0.000 2.172 410 K HA 0.628 4.949 4.320 0.001 0.000 0.276 410 K C 0.502 177.007 176.600 -0.159 0.000 1.013 410 K CA 0.400 56.547 56.287 -0.233 0.000 0.913 410 K CB 0.801 33.131 32.500 -0.284 0.000 1.055 410 K HN 0.881 nan 8.250 nan 0.000 0.461 411 T N -0.193 114.280 114.554 -0.134 0.000 2.884 411 T HA 0.817 5.168 4.350 0.001 0.000 0.277 411 T C 0.143 174.792 174.700 -0.085 0.000 0.976 411 T CA -0.721 61.325 62.100 -0.090 0.000 0.956 411 T CB 1.543 70.360 68.868 -0.085 0.000 1.113 411 T HN 0.582 nan 8.240 nan 0.000 0.554 412 G N 0.114 108.876 108.800 -0.064 0.000 2.378 412 G HA2 0.493 4.454 3.960 0.001 0.000 0.306 412 G HA3 0.493 4.454 3.960 0.001 0.000 0.306 412 G C -1.078 173.788 174.900 -0.057 0.000 1.413 412 G CA -0.684 44.378 45.100 -0.064 0.000 1.123 412 G HN 0.812 nan 8.290 nan 0.000 0.587 413 T N 2.929 117.433 114.554 -0.084 0.000 2.881 413 T HA 0.759 5.110 4.350 0.001 0.000 0.290 413 T C 0.125 174.743 174.700 -0.136 0.000 1.000 413 T CA -0.364 61.689 62.100 -0.079 0.000 0.978 413 T CB 1.529 70.353 68.868 -0.072 0.000 0.997 413 T HN 0.527 nan 8.240 nan 0.000 0.443 414 M N 1.081 120.611 119.600 -0.117 0.000 2.744 414 M HA 0.469 4.950 4.480 0.001 0.000 0.283 414 M C -0.083 176.163 176.300 -0.090 0.000 1.275 414 M CA -1.121 54.075 55.300 -0.173 0.000 0.796 414 M CB 2.083 34.541 32.600 -0.236 0.000 1.739 414 M HN 0.595 nan 8.290 nan 0.000 0.454 415 S N 0.103 115.748 115.700 -0.093 0.000 2.481 415 S HA 0.466 4.936 4.470 0.001 0.000 0.282 415 S C 0.850 175.412 174.600 -0.063 0.000 1.243 415 S CA 0.252 58.437 58.200 -0.025 0.000 1.078 415 S CB 0.003 63.214 63.200 0.019 0.000 0.916 415 S HN 1.160 nan 8.310 nan 0.000 0.495 416 G N 1.500 110.221 108.800 -0.132 0.000 2.141 416 G HA2 -0.175 3.786 3.960 0.001 0.000 0.242 416 G HA3 -0.175 3.786 3.960 0.001 0.000 0.242 416 G C -0.113 174.487 174.900 -0.499 0.000 0.982 416 G CA -0.107 44.710 45.100 -0.471 0.000 0.662 416 G HN 1.403 nan 8.290 nan 0.000 0.527 417 V N -0.168 119.666 119.914 -0.132 0.000 2.711 417 V HA 0.829 4.950 4.120 0.001 0.000 0.304 417 V C -0.223 175.971 176.094 0.166 0.000 1.097 417 V CA -0.084 62.235 62.300 0.031 0.000 0.906 417 V CB 1.900 33.702 31.823 -0.034 0.000 1.015 417 V HN 0.722 nan 8.190 nan 0.000 0.427 418 S N 2.486 118.305 115.700 0.199 0.000 2.536 418 S HA 0.928 5.399 4.470 0.001 0.000 0.271 418 S C -1.031 173.599 174.600 0.051 0.000 1.134 418 S CA 0.232 58.487 58.200 0.091 0.000 0.897 418 S CB 1.845 65.065 63.200 0.033 0.000 1.094 418 S HN 1.542 nan 8.310 nan 0.000 0.473 419 A N 2.647 125.477 122.820 0.016 0.000 2.520 419 A HA 0.831 5.152 4.320 0.001 0.000 0.298 419 A C -1.932 175.655 177.584 0.006 0.000 1.051 419 A CA -0.511 51.537 52.037 0.018 0.000 0.690 419 A CB 1.619 20.629 19.000 0.016 0.000 1.281 419 A HN 0.966 nan 8.150 nan 0.000 0.402 420 L N 1.679 122.924 121.223 0.036 0.000 2.491 420 L HA 0.721 5.062 4.340 0.001 0.000 0.267 420 L C -0.904 175.999 176.870 0.055 0.000 0.971 420 L CA 0.364 55.242 54.840 0.063 0.000 0.857 420 L CB 1.883 44.024 42.059 0.136 0.000 1.226 420 L HN 0.603 nan 8.230 nan 0.000 0.408 421 S N 2.667 118.246 115.700 -0.201 0.000 2.538 421 S HA 1.021 5.492 4.470 0.001 0.000 0.288 421 S C -0.075 174.014 174.600 -0.852 0.000 1.108 421 S CA -0.089 57.769 58.200 -0.570 0.000 0.971 421 S CB 1.862 64.862 63.200 -0.333 0.000 1.041 421 S HN 1.067 nan 8.310 nan 0.000 0.483 422 G N 1.180 109.080 108.800 -1.501 0.000 2.441 422 G HA2 0.430 4.391 3.960 0.001 0.000 0.225 422 G HA3 0.430 4.391 3.960 0.001 0.000 0.225 422 G C -2.422 171.855 174.900 -1.038 0.000 1.200 422 G CA -0.533 43.893 45.100 -1.124 0.000 0.947 422 G HN 0.480 nan 8.290 nan 0.000 0.484 423 Y N -0.995 119.245 120.300 -0.099 0.000 2.524 423 Y HA 0.647 5.198 4.550 0.001 0.000 0.344 423 Y C 0.012 176.073 175.900 0.268 0.000 1.012 423 Y CA -0.912 57.261 58.100 0.122 0.000 1.068 423 Y CB 2.729 41.242 38.460 0.088 0.000 1.249 423 Y HN 0.290 nan 8.280 nan 0.000 0.468 424 V N 4.424 124.600 119.914 0.436 0.000 2.315 424 V HA 0.294 4.415 4.120 0.001 0.000 0.265 424 V C -2.399 173.858 176.094 0.271 0.000 1.019 424 V CA -1.911 60.573 62.300 0.306 0.000 0.824 424 V CB 0.503 32.480 31.823 0.256 0.000 1.072 424 V HN 0.535 nan 8.190 nan 0.000 0.448 425 P HA 0.452 nan 4.420 nan 0.000 0.269 425 P C 0.166 177.665 177.300 0.332 0.000 1.215 425 P CA 0.511 63.729 63.100 0.197 0.000 0.780 425 P CB 1.646 33.419 31.700 0.122 0.000 0.898 426 G N 1.092 110.032 108.800 0.232 0.000 2.519 426 G HA2 0.350 4.310 3.960 0.001 0.000 0.292 426 G HA3 0.350 4.310 3.960 0.001 0.000 0.292 426 G C -2.623 172.290 174.900 0.022 0.000 1.507 426 G CA -0.843 44.347 45.100 0.149 0.000 0.806 426 G HN 0.099 nan 8.290 nan 0.000 0.523 427 P HA -0.164 nan 4.420 nan 0.000 0.214 427 P C 1.743 179.022 177.300 -0.035 0.000 1.172 427 P CA 2.171 65.243 63.100 -0.047 0.000 0.925 427 P CB 0.258 31.905 31.700 -0.089 0.000 0.793 428 E N -0.454 119.711 120.200 -0.059 0.000 2.014 428 E HA 0.016 4.367 4.350 0.001 0.000 0.190 428 E C 1.253 177.854 176.600 0.001 0.000 0.980 428 E CA 1.264 57.639 56.400 -0.041 0.000 0.807 428 E CB -1.048 28.603 29.700 -0.082 0.000 0.770 428 E HN 0.185 nan 8.360 nan 0.000 0.451 429 G N 1.755 110.568 108.800 0.022 0.000 2.533 429 G HA2 0.282 4.243 3.960 0.001 0.000 0.310 429 G HA3 0.282 4.243 3.960 0.001 0.000 0.310 429 G C -1.268 173.708 174.900 0.127 0.000 1.266 429 G CA -0.575 44.577 45.100 0.086 0.000 0.967 429 G HN 0.049 nan 8.290 nan 0.000 0.493 430 E N 3.007 123.279 120.200 0.120 0.000 1.932 430 E HA 0.296 4.647 4.350 0.001 0.000 0.275 430 E C -0.287 176.431 176.600 0.196 0.000 1.159 430 E CA -0.513 55.975 56.400 0.146 0.000 0.905 430 E CB 0.241 29.997 29.700 0.093 0.000 1.059 430 E HN 0.133 nan 8.360 nan 0.000 0.400 431 L N 3.446 124.816 121.223 0.244 0.000 2.312 431 L HA 0.598 4.938 4.340 0.001 0.000 0.281 431 L C 0.162 177.229 176.870 0.328 0.000 1.070 431 L CA -0.554 54.441 54.840 0.260 0.000 0.805 431 L CB 1.164 43.374 42.059 0.251 0.000 1.174 431 L HN 0.639 nan 8.230 nan 0.000 0.434 432 A N 3.817 126.791 122.820 0.258 0.000 2.337 432 A HA 0.854 5.174 4.320 0.001 0.000 0.329 432 A C -0.907 176.765 177.584 0.146 0.000 1.146 432 A CA -0.409 51.708 52.037 0.133 0.000 0.800 432 A CB 0.771 19.813 19.000 0.070 0.000 1.220 432 A HN 0.565 nan 8.150 nan 0.000 0.472 433 F N 0.250 120.160 119.950 -0.066 0.000 2.613 433 F HA 0.853 5.381 4.527 0.001 0.000 0.314 433 F C -0.375 175.385 175.800 -0.065 0.000 1.075 433 F CA -0.859 57.114 58.000 -0.045 0.000 0.945 433 F CB 1.771 40.745 39.000 -0.042 0.000 1.310 433 F HN 0.510 nan 8.300 nan 0.000 0.467 434 S N 2.483 118.246 115.700 0.105 0.000 2.619 434 S HA 0.754 5.225 4.470 0.001 0.000 0.280 434 S C -1.483 173.208 174.600 0.152 0.000 1.150 434 S CA -0.527 57.689 58.200 0.026 0.000 0.978 434 S CB 0.862 64.059 63.200 -0.005 0.000 1.041 434 S HN 0.688 nan 8.310 nan 0.000 0.485 435 I N 4.676 125.337 120.570 0.152 0.000 2.411 435 I HA 0.444 4.614 4.170 0.001 0.000 0.284 435 I C -1.037 175.127 176.117 0.079 0.000 1.012 435 I CA -0.801 60.572 61.300 0.122 0.000 1.119 435 I CB 1.932 40.007 38.000 0.126 0.000 1.261 435 I HN 0.352 nan 8.210 nan 0.000 0.448 436 V N 5.762 125.720 119.914 0.074 0.000 2.349 436 V HA 0.380 4.501 4.120 0.001 0.000 0.284 436 V C -0.280 175.858 176.094 0.074 0.000 1.014 436 V CA -0.770 61.571 62.300 0.067 0.000 0.826 436 V CB 1.237 33.100 31.823 0.066 0.000 1.009 436 V HN 0.625 nan 8.190 nan 0.000 0.431 437 N N 4.451 123.204 118.700 0.088 0.000 2.438 437 N HA 0.486 5.226 4.740 0.001 0.000 0.282 437 N C -0.779 174.831 175.510 0.167 0.000 1.037 437 N CA -0.252 52.879 53.050 0.136 0.000 0.942 437 N CB 1.951 40.519 38.487 0.135 0.000 1.136 437 N HN 0.698 nan 8.380 nan 0.000 0.481 438 N N -0.575 118.198 118.700 0.121 0.000 2.321 438 N HA 0.426 5.167 4.740 0.001 0.000 0.290 438 N C 0.548 176.033 175.510 -0.041 0.000 1.212 438 N CA -0.493 52.562 53.050 0.008 0.000 0.767 438 N CB 2.435 40.920 38.487 -0.002 0.000 1.494 438 N HN 0.583 nan 8.380 nan 0.000 0.479 439 G N 0.351 109.040 108.800 -0.186 0.000 2.225 439 G HA2 -0.277 3.684 3.960 0.001 0.000 0.254 439 G HA3 -0.277 3.684 3.960 0.001 0.000 0.254 439 G C 0.070 174.901 174.900 -0.114 0.000 0.988 439 G CA 0.537 45.564 45.100 -0.122 0.000 0.625 439 G HN 0.886 nan 8.290 nan 0.000 0.527 440 H N 0.470 119.545 119.070 0.009 0.000 2.948 440 H HA 0.534 5.091 4.556 0.001 0.000 0.351 440 H C 0.915 176.248 175.328 0.008 0.000 1.079 440 H CA 0.610 56.662 56.048 0.007 0.000 1.407 440 H CB 0.870 30.633 29.762 0.002 0.000 1.373 440 H HN 0.064 nan 8.280 nan 0.000 0.605 441 S N 1.668 117.453 115.700 0.143 0.000 2.502 441 S HA 0.182 4.653 4.470 0.001 0.000 0.215 441 S C 1.213 175.874 174.600 0.102 0.000 1.009 441 S CA 0.050 58.296 58.200 0.076 0.000 0.908 441 S CB 0.532 63.761 63.200 0.047 0.000 0.801 441 S HN 0.896 nan 8.310 nan 0.000 0.505 442 G N 1.833 110.723 108.800 0.149 0.000 2.828 442 G HA2 0.574 4.534 3.960 0.001 0.000 0.244 442 G HA3 0.574 4.534 3.960 0.001 0.000 0.244 442 G C -2.835 172.137 174.900 0.121 0.000 1.365 442 G CA -1.495 43.663 45.100 0.098 0.000 1.041 442 G HN 0.085 nan 8.290 nan 0.000 0.560 443 P HA 0.313 nan 4.420 nan 0.000 0.269 443 P C 0.134 177.404 177.300 -0.050 0.000 1.211 443 P CA 0.015 63.124 63.100 0.014 0.000 0.781 443 P CB 0.264 31.955 31.700 -0.015 0.000 0.877 444 A N 3.751 126.531 122.820 -0.067 0.000 2.587 444 A HA 0.121 4.442 4.320 0.001 0.000 0.235 444 A C -1.532 175.910 177.584 -0.238 0.000 1.044 444 A CA -0.470 51.450 52.037 -0.196 0.000 0.754 444 A CB -1.107 17.838 19.000 -0.091 0.000 0.968 444 A HN 0.439 nan 8.150 nan 0.000 0.509 445 P HA 0.155 nan 4.420 nan 0.000 0.218 445 P C 0.697 177.913 177.300 -0.140 0.000 1.793 445 P CA -0.080 62.887 63.100 -0.222 0.000 0.941 445 P CB -0.069 31.480 31.700 -0.252 0.000 1.919 446 L N 0.505 121.662 121.223 -0.111 0.000 2.046 446 L HA -0.171 4.170 4.340 0.001 0.000 0.208 446 L C 2.606 179.435 176.870 -0.069 0.000 1.077 446 L CA 1.764 56.557 54.840 -0.078 0.000 0.747 446 L CB -1.261 40.760 42.059 -0.065 0.000 0.896 446 L HN 0.105 nan 8.230 nan 0.000 0.432 447 A N -0.059 122.721 122.820 -0.068 0.000 1.978 447 A HA -0.145 4.176 4.320 0.001 0.000 0.220 447 A C 2.347 179.890 177.584 -0.068 0.000 1.170 447 A CA 1.861 53.861 52.037 -0.061 0.000 0.636 447 A CB -0.814 18.154 19.000 -0.053 0.000 0.810 447 A HN 0.227 nan 8.150 nan 0.000 0.448 448 V N -0.388 119.481 119.914 -0.075 0.000 2.358 448 V HA -0.304 3.817 4.120 0.001 0.000 0.246 448 V C 2.577 178.619 176.094 -0.087 0.000 1.047 448 V CA 2.219 64.472 62.300 -0.078 0.000 1.035 448 V CB -0.918 30.859 31.823 -0.076 0.000 0.658 448 V HN 0.645 nan 8.190 nan 0.000 0.452 449 Q N -0.390 119.363 119.800 -0.079 0.000 2.119 449 Q HA -0.191 4.150 4.340 0.001 0.000 0.201 449 Q C 2.068 178.010 176.000 -0.098 0.000 0.972 449 Q CA 1.624 57.383 55.803 -0.073 0.000 0.847 449 Q CB -0.188 28.529 28.738 -0.036 0.000 0.903 449 Q HN 0.609 nan 8.270 nan 0.000 0.433 450 D N 0.426 120.776 120.400 -0.083 0.000 2.117 450 D HA -0.136 4.505 4.640 0.001 0.000 0.197 450 D C 1.752 177.989 176.300 -0.106 0.000 0.987 450 D CA 1.369 55.318 54.000 -0.085 0.000 0.829 450 D CB -0.195 40.567 40.800 -0.063 0.000 0.961 450 D HN 0.262 nan 8.370 nan 0.000 0.460 451 A N 0.780 123.540 122.820 -0.100 0.000 1.858 451 A HA -0.134 4.187 4.320 0.001 0.000 0.216 451 A C 2.394 179.896 177.584 -0.136 0.000 1.190 451 A CA 0.985 52.962 52.037 -0.100 0.000 0.617 451 A CB -0.813 18.136 19.000 -0.085 0.000 0.827 451 A HN 0.169 nan 8.150 nan 0.000 0.443 452 I N 0.091 120.558 120.570 -0.172 0.000 2.118 452 I HA -0.353 3.818 4.170 0.001 0.000 0.241 452 I C 2.989 178.922 176.117 -0.306 0.000 1.070 452 I CA 1.410 62.565 61.300 -0.242 0.000 1.327 452 I CB -0.457 37.383 38.000 -0.267 0.000 1.034 452 I HN 0.350 nan 8.210 nan 0.000 0.405 453 A N 0.217 122.823 122.820 -0.358 0.000 1.948 453 A HA -0.184 4.137 4.320 0.001 0.000 0.220 453 A C 2.442 179.884 177.584 -0.236 0.000 1.177 453 A CA 2.140 53.918 52.037 -0.433 0.000 0.636 453 A CB -1.059 17.735 19.000 -0.343 0.000 0.815 453 A HN 0.287 nan 8.150 nan 0.000 0.449 454 V N -0.309 119.513 119.914 -0.153 0.000 2.427 454 V HA -0.196 3.925 4.120 0.001 0.000 0.248 454 V C 2.638 178.695 176.094 -0.062 0.000 1.051 454 V CA 2.200 64.450 62.300 -0.084 0.000 1.048 454 V CB -0.767 31.017 31.823 -0.064 0.000 0.666 454 V HN 0.618 nan 8.190 nan 0.000 0.456 455 R N 0.633 121.078 120.500 -0.091 0.000 2.083 455 R HA -0.121 4.220 4.340 0.001 0.000 0.237 455 R C 2.050 178.335 176.300 -0.025 0.000 1.137 455 R CA 1.893 57.954 56.100 -0.064 0.000 0.951 455 R CB -0.889 29.347 30.300 -0.107 0.000 0.851 455 R HN 0.485 nan 8.270 nan 0.000 0.434 456 L N -0.294 120.879 121.223 -0.083 0.000 2.056 456 L HA -0.053 4.288 4.340 0.001 0.000 0.207 456 L C 2.513 179.441 176.870 0.096 0.000 1.078 456 L CA 1.272 56.100 54.840 -0.020 0.000 0.749 456 L CB -0.754 41.219 42.059 -0.143 0.000 0.901 456 L HN 0.299 nan 8.230 nan 0.000 0.433 457 A N 0.217 123.069 122.820 0.055 0.000 1.948 457 A HA -0.267 4.054 4.320 0.001 0.000 0.220 457 A C 2.172 179.868 177.584 0.188 0.000 1.177 457 A CA 2.032 54.159 52.037 0.150 0.000 0.636 457 A CB -0.489 18.546 19.000 0.058 0.000 0.815 457 A HN 0.483 nan 8.150 nan 0.000 0.449 458 E N -2.063 118.204 120.200 0.112 0.000 2.106 458 E HA -0.180 4.171 4.350 0.001 0.000 0.192 458 E C 1.847 178.503 176.600 0.094 0.000 0.984 458 E CA 1.301 57.754 56.400 0.088 0.000 0.806 458 E CB -0.273 29.464 29.700 0.061 0.000 0.750 458 E HN 0.790 nan 8.360 nan 0.000 0.458 459 Y N 0.866 121.168 120.300 0.004 0.000 2.200 459 Y HA -0.146 4.405 4.550 0.001 0.000 0.290 459 Y C 2.082 177.978 175.900 -0.007 0.000 1.137 459 Y CA 1.353 59.453 58.100 -0.000 0.000 1.163 459 Y CB -0.152 38.311 38.460 0.005 0.000 0.988 459 Y HN -0.014 nan 8.280 nan 0.000 0.518 460 A N -0.482 122.407 122.820 0.115 0.000 2.239 460 A HA 0.249 4.570 4.320 0.001 0.000 0.209 460 A C 1.750 179.200 177.584 -0.223 0.000 1.171 460 A CA 1.032 53.071 52.037 0.004 0.000 0.768 460 A CB -1.358 17.738 19.000 0.161 0.000 0.790 460 A HN 0.961 nan 8.150 nan 0.000 0.478 461 G N -1.236 107.441 108.800 -0.205 0.000 2.140 461 G HA2 -0.164 3.797 3.960 0.001 0.000 0.211 461 G HA3 -0.164 3.797 3.960 0.001 0.000 0.211 461 G C -0.098 174.612 174.900 -0.316 0.000 1.013 461 G CA 0.095 45.043 45.100 -0.253 0.000 0.705 461 G HN 0.673 nan 8.290 nan 0.000 0.508 462 H N -0.130 118.940 119.070 0.001 0.000 2.508 462 H HA 0.671 5.228 4.556 0.001 0.000 0.344 462 H C 0.308 175.635 175.328 -0.000 0.000 1.192 462 H CA 0.107 56.157 56.048 0.003 0.000 1.290 462 H CB 1.256 31.025 29.762 0.011 0.000 1.571 462 H HN 0.428 nan 8.280 nan 0.000 0.555 463 Q N -0.180 119.703 119.800 0.139 0.000 2.421 463 Q HA 0.516 4.857 4.340 0.001 0.000 0.280 463 Q C -0.864 175.170 176.000 0.056 0.000 1.085 463 Q CA -1.151 54.694 55.803 0.069 0.000 0.807 463 Q CB 3.173 31.934 28.738 0.038 0.000 1.405 463 Q HN 0.786 nan 8.270 nan 0.000 0.419 464 A N 2.656 125.495 122.820 0.032 0.000 2.567 464 A HA 0.275 4.596 4.320 0.001 0.000 0.240 464 A C -2.014 175.581 177.584 0.017 0.000 1.053 464 A CA -0.499 51.549 52.037 0.018 0.000 0.755 464 A CB -0.717 18.288 19.000 0.009 0.000 0.978 464 A HN 0.380 nan 8.150 nan 0.000 0.507 465 P HA 0.000 nan 4.420 nan 0.000 0.216 465 P CA 0.000 63.107 63.100 0.011 0.000 0.800 465 P CB 0.000 31.703 31.700 0.005 0.000 0.726