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 1w8q_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 GHQAPE 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 0.000 176.466 176.300 0.277 0.000 0.893 1 R CA 0.000 56.225 56.100 0.209 0.000 0.921 1 R CB 0.000 30.376 30.300 0.127 0.000 0.687 2 L N 1.783 123.143 121.223 0.229 0.000 2.042 2 L HA -0.140 4.201 4.340 0.002 0.000 0.210 2 L C 2.575 179.482 176.870 0.061 0.000 1.076 2 L CA 2.570 57.480 54.840 0.118 0.000 0.749 2 L CB -0.586 41.535 42.059 0.102 0.000 0.893 2 L HN 0.947 nan 8.230 nan 0.000 0.432 3 T N -3.329 111.264 114.554 0.065 0.000 2.759 3 T HA -0.289 4.063 4.350 0.002 0.000 0.269 3 T C 1.617 176.344 174.700 0.045 0.000 1.042 3 T CA 1.640 63.767 62.100 0.045 0.000 1.140 3 T CB -0.268 68.624 68.868 0.039 0.000 0.864 3 T HN 0.446 nan 8.240 nan 0.000 0.455 4 E N 0.272 120.506 120.200 0.057 0.000 2.076 4 E HA -0.013 4.338 4.350 0.002 0.000 0.190 4 E C 2.149 178.768 176.600 0.033 0.000 0.979 4 E CA 0.398 56.828 56.400 0.050 0.000 0.807 4 E CB -0.171 29.567 29.700 0.065 0.000 0.761 4 E HN 0.393 nan 8.360 nan 0.000 0.454 5 L N 1.637 122.869 121.223 0.015 0.000 2.012 5 L HA -0.171 4.170 4.340 0.002 0.000 0.210 5 L C 2.321 179.169 176.870 -0.037 0.000 1.073 5 L CA 1.759 56.549 54.840 -0.083 0.000 0.748 5 L CB -0.381 41.471 42.059 -0.346 0.000 0.891 5 L HN 0.030 nan 8.230 nan 0.000 0.431 6 R N -0.380 120.145 120.500 0.042 0.000 2.080 6 R HA -0.187 4.154 4.340 0.002 0.000 0.236 6 R C 2.170 178.561 176.300 0.152 0.000 1.137 6 R CA 1.967 58.179 56.100 0.188 0.000 0.943 6 R CB -0.548 29.826 30.300 0.122 0.000 0.846 6 R HN 0.543 nan 8.270 nan 0.000 0.431 7 E N 0.560 120.805 120.200 0.075 0.000 2.058 7 E HA -0.202 4.149 4.350 0.002 0.000 0.194 7 E C 1.585 178.204 176.600 0.031 0.000 0.997 7 E CA 1.621 58.054 56.400 0.054 0.000 0.801 7 E CB -0.110 29.611 29.700 0.034 0.000 0.746 7 E HN 0.319 nan 8.360 nan 0.000 0.450 8 D N 0.238 120.642 120.400 0.007 0.000 2.218 8 D HA -0.099 4.542 4.640 0.002 0.000 0.204 8 D C 1.762 178.026 176.300 -0.061 0.000 0.976 8 D CA 0.746 54.733 54.000 -0.023 0.000 0.853 8 D CB 0.008 40.792 40.800 -0.027 0.000 0.939 8 D HN 0.196 nan 8.370 nan 0.000 0.481 9 I N 0.577 121.092 120.570 -0.090 0.000 2.333 9 I HA -0.159 4.012 4.170 0.002 0.000 0.246 9 I C 1.626 177.670 176.117 -0.122 0.000 1.106 9 I CA 0.743 61.909 61.300 -0.222 0.000 1.411 9 I CB -0.061 37.594 38.000 -0.575 0.000 1.082 9 I HN -0.090 nan 8.210 nan 0.000 0.420 10 D N 1.508 121.932 120.400 0.041 0.000 2.123 10 D HA -0.193 4.448 4.640 0.002 0.000 0.196 10 D C 2.227 178.542 176.300 0.026 0.000 0.992 10 D CA 1.675 55.731 54.000 0.094 0.000 0.833 10 D CB -0.126 40.747 40.800 0.121 0.000 0.954 10 D HN 0.344 nan 8.370 nan 0.000 0.455 11 A N 1.197 124.021 122.820 0.006 0.000 1.865 11 A HA -0.174 4.147 4.320 0.002 0.000 0.217 11 A C 2.439 180.009 177.584 -0.023 0.000 1.191 11 A CA 1.109 53.143 52.037 -0.006 0.000 0.623 11 A CB -0.879 18.115 19.000 -0.010 0.000 0.826 11 A HN 0.188 nan 8.150 nan 0.000 0.444 12 I N -0.182 120.359 120.570 -0.048 0.000 2.194 12 I HA -0.275 3.896 4.170 0.002 0.000 0.246 12 I C 2.064 178.148 176.117 -0.056 0.000 1.093 12 I CA 1.202 62.465 61.300 -0.063 0.000 1.355 12 I CB -0.336 37.605 38.000 -0.098 0.000 1.046 12 I HN 0.284 nan 8.210 nan 0.000 0.413 13 L N 0.515 121.707 121.223 -0.053 0.000 2.549 13 L HA -0.122 4.219 4.340 0.002 0.000 0.229 13 L C 1.339 178.203 176.870 -0.010 0.000 1.158 13 L CA 0.538 55.359 54.840 -0.031 0.000 0.842 13 L CB -0.419 41.636 42.059 -0.006 0.000 0.952 13 L HN 0.248 nan 8.230 nan 0.000 0.452 14 E N 0.021 120.215 120.200 -0.010 0.000 2.320 14 E HA 0.033 4.384 4.350 0.002 0.000 0.189 14 E C -0.228 176.366 176.600 -0.009 0.000 1.100 14 E CA 0.050 56.449 56.400 -0.002 0.000 1.009 14 E CB -0.319 29.381 29.700 0.001 0.000 1.145 14 E HN 0.363 nan 8.360 nan 0.000 0.454 15 D N 0.621 121.011 120.400 -0.017 0.000 2.345 15 D HA 0.056 4.697 4.640 0.002 0.000 0.247 15 D C -1.515 174.778 176.300 -0.012 0.000 1.108 15 D CA -1.845 52.143 54.000 -0.020 0.000 0.894 15 D CB 1.478 42.257 40.800 -0.034 0.000 1.203 15 D HN -0.180 nan 8.370 nan 0.000 0.430 16 P HA -0.117 nan 4.420 nan 0.000 0.219 16 P C 0.579 177.880 177.300 0.002 0.000 1.146 16 P CA 0.840 63.939 63.100 -0.002 0.000 0.808 16 P CB 0.150 31.848 31.700 -0.003 0.000 0.779 17 A N -0.899 121.915 122.820 -0.009 0.000 2.121 17 A HA -0.059 4.262 4.320 0.002 0.000 0.218 17 A C 1.776 179.363 177.584 0.006 0.000 1.154 17 A CA 0.999 53.030 52.037 -0.010 0.000 0.679 17 A CB -1.170 17.803 19.000 -0.044 0.000 0.795 17 A HN 0.186 nan 8.150 nan 0.000 0.458 18 L N -0.289 120.936 121.223 0.004 0.000 2.741 18 L HA 0.160 4.501 4.340 0.002 0.000 0.237 18 L C 0.158 177.053 176.870 0.041 0.000 1.178 18 L CA -0.387 54.469 54.840 0.027 0.000 0.973 18 L CB -0.085 41.977 42.059 0.006 0.000 1.255 18 L HN 0.184 nan 8.230 nan 0.000 0.498 19 E N 1.414 121.635 120.200 0.036 0.000 2.603 19 E HA 0.085 4.436 4.350 0.002 0.000 0.242 19 E C 1.259 177.881 176.600 0.036 0.000 1.083 19 E CA 0.991 57.409 56.400 0.030 0.000 0.950 19 E CB -0.149 29.566 29.700 0.025 0.000 0.952 19 E HN 0.389 nan 8.360 nan 0.000 0.498 20 G N 2.611 111.429 108.800 0.030 0.000 2.153 20 G HA2 -0.258 3.703 3.960 0.002 0.000 0.252 20 G HA3 -0.258 3.703 3.960 0.002 0.000 0.252 20 G C 0.429 175.350 174.900 0.035 0.000 0.994 20 G CA 0.295 45.412 45.100 0.027 0.000 0.698 20 G HN 0.811 nan 8.290 nan 0.000 0.521 21 A N -1.342 121.508 122.820 0.050 0.000 2.298 21 A HA 0.908 5.229 4.320 0.002 0.000 0.302 21 A C 0.071 177.689 177.584 0.056 0.000 1.177 21 A CA 0.014 52.091 52.037 0.066 0.000 0.912 21 A CB 1.547 20.621 19.000 0.122 0.000 1.331 21 A HN 1.154 nan 8.150 nan 0.000 0.504 22 V N 0.704 120.656 119.914 0.064 0.000 2.487 22 V HA 0.531 4.652 4.120 0.002 0.000 0.298 22 V C -0.414 175.718 176.094 0.064 0.000 1.028 22 V CA -0.358 61.974 62.300 0.053 0.000 0.860 22 V CB 1.571 33.418 31.823 0.041 0.000 0.991 22 V HN 0.783 nan 8.190 nan 0.000 0.427 23 S N 2.833 118.568 115.700 0.059 0.000 2.519 23 S HA 0.667 5.138 4.470 0.002 0.000 0.309 23 S C 0.259 174.899 174.600 0.068 0.000 1.100 23 S CA -0.578 57.657 58.200 0.059 0.000 1.059 23 S CB 1.807 65.035 63.200 0.046 0.000 1.008 23 S HN 1.038 nan 8.310 nan 0.000 0.478 24 G N 1.852 110.693 108.800 0.068 0.000 2.356 24 G HA2 0.545 4.506 3.960 0.002 0.000 0.312 24 G HA3 0.545 4.506 3.960 0.002 0.000 0.312 24 G C -0.765 174.193 174.900 0.096 0.000 1.096 24 G CA -0.400 44.747 45.100 0.078 0.000 0.950 24 G HN 0.586 nan 8.290 nan 0.000 0.428 25 V N 2.789 122.784 119.914 0.134 0.000 2.487 25 V HA 0.639 4.760 4.120 0.002 0.000 0.298 25 V C -0.426 175.807 176.094 0.233 0.000 1.028 25 V CA -0.721 61.676 62.300 0.162 0.000 0.860 25 V CB 1.791 33.694 31.823 0.134 0.000 0.991 25 V HN 0.527 nan 8.190 nan 0.000 0.427 26 V N 4.765 124.798 119.914 0.199 0.000 2.777 26 V HA 0.572 4.693 4.120 0.002 0.000 0.306 26 V C -0.842 175.369 176.094 0.194 0.000 1.112 26 V CA -0.560 61.858 62.300 0.196 0.000 0.917 26 V CB 2.366 34.266 31.823 0.128 0.000 1.018 26 V HN 0.609 nan 8.190 nan 0.000 0.426 27 V N 4.977 125.009 119.914 0.197 0.000 2.525 27 V HA 0.660 4.781 4.120 0.002 0.000 0.299 27 V C -0.484 175.695 176.094 0.142 0.000 1.034 27 V CA -0.561 61.844 62.300 0.174 0.000 0.863 27 V CB 1.932 33.829 31.823 0.124 0.000 0.999 27 V HN 0.602 nan 8.190 nan 0.000 0.423 28 V N 2.661 122.661 119.914 0.143 0.000 2.769 28 V HA 0.492 4.613 4.120 0.002 0.000 0.312 28 V C -0.515 175.664 176.094 0.142 0.000 1.061 28 V CA -0.594 61.780 62.300 0.122 0.000 0.931 28 V CB 2.435 34.320 31.823 0.103 0.000 1.010 28 V HN 0.888 nan 8.190 nan 0.000 0.433 29 D N 2.335 122.811 120.400 0.127 0.000 2.500 29 D HA 0.103 4.744 4.640 0.002 0.000 0.219 29 D C 1.495 177.860 176.300 0.109 0.000 1.137 29 D CA 0.177 54.258 54.000 0.135 0.000 0.946 29 D CB 1.262 42.142 40.800 0.134 0.000 1.022 29 D HN 0.793 nan 8.370 nan 0.000 0.518 30 T N 0.430 115.056 114.554 0.121 0.000 2.882 30 T HA -0.250 4.101 4.350 0.002 0.000 0.268 30 T C 1.668 176.404 174.700 0.061 0.000 1.104 30 T CA 1.281 63.438 62.100 0.096 0.000 1.118 30 T CB -0.018 68.921 68.868 0.118 0.000 0.831 30 T HN 0.297 nan 8.240 nan 0.000 0.529 31 A N 2.032 124.889 122.820 0.061 0.000 1.855 31 A HA 0.094 4.415 4.320 0.002 0.000 0.213 31 A C 2.608 180.213 177.584 0.035 0.000 1.195 31 A CA 1.633 53.693 52.037 0.039 0.000 0.610 31 A CB -0.899 18.124 19.000 0.039 0.000 0.837 31 A HN 0.687 nan 8.150 nan 0.000 0.444 32 T N -4.387 110.194 114.554 0.046 0.000 3.105 32 T HA 0.411 4.762 4.350 0.002 0.000 0.253 32 T C 1.270 175.995 174.700 0.042 0.000 1.047 32 T CA 1.054 63.178 62.100 0.040 0.000 0.944 32 T CB 0.019 68.913 68.868 0.044 0.000 1.016 32 T HN 1.679 nan 8.240 nan 0.000 0.544 33 G N 1.330 110.159 108.800 0.049 0.000 2.212 33 G HA2 -0.311 3.650 3.960 0.002 0.000 0.267 33 G HA3 -0.311 3.650 3.960 0.002 0.000 0.267 33 G C -0.087 174.844 174.900 0.052 0.000 1.002 33 G CA 0.613 45.742 45.100 0.049 0.000 0.729 33 G HN 0.769 nan 8.290 nan 0.000 0.517 34 E N -0.191 120.046 120.200 0.061 0.000 2.410 34 E HA 0.267 4.618 4.350 0.002 0.000 0.255 34 E C 0.099 176.738 176.600 0.065 0.000 1.194 34 E CA -0.167 56.270 56.400 0.061 0.000 0.955 34 E CB 0.242 29.988 29.700 0.076 0.000 0.988 34 E HN 0.237 nan 8.360 nan 0.000 0.461 35 E N 2.879 123.111 120.200 0.055 0.000 2.751 35 E HA 0.090 4.441 4.350 0.002 0.000 0.219 35 E C 0.770 177.401 176.600 0.051 0.000 1.060 35 E CA -0.090 56.340 56.400 0.051 0.000 0.893 35 E CB 0.476 30.193 29.700 0.027 0.000 1.300 35 E HN 0.542 nan 8.360 nan 0.000 0.433 36 L N 1.174 122.440 121.223 0.071 0.000 2.013 36 L HA -0.131 4.210 4.340 0.002 0.000 0.212 36 L C 0.685 177.613 176.870 0.096 0.000 1.073 36 L CA 1.644 56.516 54.840 0.054 0.000 0.753 36 L CB -0.214 41.856 42.059 0.018 0.000 0.890 36 L HN 0.380 nan 8.230 nan 0.000 0.432 37 Y N -1.453 118.830 120.300 -0.028 0.000 2.552 37 Y HA 0.479 5.030 4.550 0.002 0.000 0.337 37 Y C -0.930 174.970 175.900 0.001 0.000 1.094 37 Y CA -1.079 57.005 58.100 -0.026 0.000 1.028 37 Y CB 2.033 40.464 38.460 -0.049 0.000 1.321 37 Y HN -0.220 nan 8.280 nan 0.000 0.456 38 S N 5.271 120.808 115.700 -0.270 0.000 2.626 38 S HA 0.596 5.067 4.470 0.002 0.000 0.275 38 S C -1.993 172.498 174.600 -0.181 0.000 1.175 38 S CA -0.688 57.471 58.200 -0.068 0.000 0.982 38 S CB 0.738 63.911 63.200 -0.046 0.000 1.093 38 S HN 0.831 nan 8.310 nan 0.000 0.472 39 R N 3.373 123.898 120.500 0.043 0.000 2.533 39 R HA 0.366 4.707 4.340 0.002 0.000 0.288 39 R C -0.912 175.432 176.300 0.074 0.000 1.039 39 R CA -0.298 55.830 56.100 0.047 0.000 0.909 39 R CB 0.711 31.117 30.300 0.178 0.000 1.195 39 R HN 0.715 nan 8.270 nan 0.000 0.438 40 D N 2.894 123.317 120.400 0.038 0.000 2.882 40 D HA -0.178 4.463 4.640 0.002 0.000 0.229 40 D C 0.963 177.290 176.300 0.046 0.000 1.167 40 D CA 1.428 55.452 54.000 0.039 0.000 0.759 40 D CB -0.735 40.094 40.800 0.047 0.000 1.088 40 D HN 0.941 nan 8.370 nan 0.000 0.425 41 G N 0.294 109.122 108.800 0.046 0.000 2.499 41 G HA2 -0.133 3.829 3.960 0.002 0.000 0.221 41 G HA3 -0.133 3.829 3.960 0.002 0.000 0.221 41 G C 1.538 176.464 174.900 0.044 0.000 1.109 41 G CA 1.255 46.387 45.100 0.053 0.000 0.749 41 G HN 0.498 nan 8.290 nan 0.000 0.568 42 G N -0.579 108.240 108.800 0.032 0.000 2.719 42 G HA2 0.210 4.171 3.960 0.002 0.000 0.211 42 G HA3 0.210 4.171 3.960 0.002 0.000 0.211 42 G C 0.434 175.347 174.900 0.022 0.000 1.140 42 G CA -0.204 44.912 45.100 0.026 0.000 0.790 42 G HN 0.340 nan 8.290 nan 0.000 0.529 43 E N 1.493 121.707 120.200 0.024 0.000 2.465 43 E HA 0.155 4.506 4.350 0.002 0.000 0.260 43 E C 0.329 176.940 176.600 0.018 0.000 0.980 43 E CA 0.228 56.640 56.400 0.020 0.000 0.927 43 E CB 0.344 30.058 29.700 0.024 0.000 0.934 43 E HN 0.385 nan 8.360 nan 0.000 0.459 44 Q N 2.974 122.779 119.800 0.009 0.000 2.304 44 Q HA 0.373 4.714 4.340 0.002 0.000 0.260 44 Q C -0.274 175.727 176.000 0.003 0.000 0.965 44 Q CA 0.084 55.887 55.803 0.000 0.000 0.898 44 Q CB 0.786 29.517 28.738 -0.011 0.000 1.196 44 Q HN 0.408 nan 8.270 nan 0.000 0.402 45 L N 1.070 122.295 121.223 0.003 0.000 2.322 45 L HA 0.478 4.819 4.340 0.002 0.000 0.252 45 L C -0.841 176.027 176.870 -0.004 0.000 1.055 45 L CA -1.310 53.534 54.840 0.007 0.000 0.849 45 L CB 1.224 43.297 42.059 0.024 0.000 1.446 45 L HN 0.380 nan 8.230 nan 0.000 0.416 46 L N 3.351 124.571 121.223 -0.004 0.000 2.315 46 L HA 0.208 4.549 4.340 0.002 0.000 0.283 46 L C -1.372 175.497 176.870 -0.001 0.000 1.089 46 L CA -1.057 53.774 54.840 -0.015 0.000 0.833 46 L CB 1.060 43.103 42.059 -0.026 0.000 1.170 46 L HN 0.384 nan 8.230 nan 0.000 0.442 47 P HA -0.041 nan 4.420 nan 0.000 0.221 47 P C 0.658 177.963 177.300 0.008 0.000 1.155 47 P CA 1.214 64.327 63.100 0.021 0.000 0.812 47 P CB 0.835 32.559 31.700 0.040 0.000 0.801 48 A N -0.007 122.804 122.820 -0.014 0.000 5.676 48 A HA -0.215 4.106 4.320 0.002 0.000 0.262 48 A C 1.666 179.239 177.584 -0.019 0.000 2.193 48 A CA 1.129 53.144 52.037 -0.038 0.000 0.712 48 A CB -2.443 16.530 19.000 -0.045 0.000 1.068 48 A HN 0.156 nan 8.150 nan 0.000 0.349 49 S N 0.668 116.344 115.700 -0.040 0.000 2.537 49 S HA -0.083 4.388 4.470 0.002 0.000 0.240 49 S C 1.316 175.900 174.600 -0.027 0.000 0.981 49 S CA 1.346 59.523 58.200 -0.037 0.000 0.948 49 S CB -0.662 62.492 63.200 -0.076 0.000 0.759 49 S HN 0.628 nan 8.310 nan 0.000 0.531 50 N N 1.034 119.732 118.700 -0.003 0.000 2.550 50 N HA 0.068 4.809 4.740 0.002 0.000 0.186 50 N C 1.373 176.963 175.510 0.134 0.000 1.110 50 N CA 0.299 53.361 53.050 0.020 0.000 0.912 50 N CB -0.184 38.320 38.487 0.028 0.000 0.968 50 N HN 0.280 nan 8.380 nan 0.000 0.448 51 M N 0.626 120.315 119.600 0.147 0.000 2.254 51 M HA 0.017 4.498 4.480 0.002 0.000 0.265 51 M C 1.340 177.814 176.300 0.290 0.000 1.066 51 M CA 1.433 56.881 55.300 0.247 0.000 1.123 51 M CB 0.041 32.720 32.600 0.131 0.000 1.388 51 M HN -0.118 nan 8.290 nan 0.000 0.425 52 K N -0.144 120.352 120.400 0.161 0.000 2.286 52 K HA -0.159 4.162 4.320 0.002 0.000 0.203 52 K C 1.801 178.491 176.600 0.150 0.000 1.045 52 K CA 1.254 57.629 56.287 0.146 0.000 0.935 52 K CB -0.486 31.947 32.500 -0.110 0.000 0.737 52 K HN 0.419 nan 8.250 nan 0.000 0.460 53 L N -0.404 120.883 121.223 0.105 0.000 1.994 53 L HA -0.194 4.147 4.340 0.002 0.000 0.208 53 L C 2.133 179.133 176.870 0.215 0.000 1.071 53 L CA 1.458 56.353 54.840 0.093 0.000 0.745 53 L CB -0.476 41.545 42.059 -0.062 0.000 0.892 53 L HN 0.096 nan 8.230 nan 0.000 0.431 54 F N -0.214 119.861 119.950 0.209 0.000 2.216 54 F HA -0.207 4.321 4.527 0.002 0.000 0.300 54 F C 2.633 178.532 175.800 0.166 0.000 1.085 54 F CA 1.559 59.661 58.000 0.170 0.000 1.326 54 F CB -1.152 37.915 39.000 0.112 0.000 1.027 54 F HN 0.038 nan 8.300 nan 0.000 0.497 55 T N -0.256 114.522 114.554 0.374 0.000 2.737 55 T HA -0.131 4.220 4.350 0.002 0.000 0.265 55 T C 2.339 177.207 174.700 0.281 0.000 1.038 55 T CA 1.237 63.520 62.100 0.305 0.000 1.144 55 T CB -0.675 68.406 68.868 0.356 0.000 0.866 55 T HN 0.291 nan 8.240 nan 0.000 0.434 56 A N 1.616 124.662 122.820 0.377 0.000 1.902 56 A HA 0.182 4.503 4.320 0.002 0.000 0.217 56 A C 2.649 180.342 177.584 0.182 0.000 1.181 56 A CA 1.829 54.096 52.037 0.384 0.000 0.623 56 A CB -1.211 18.057 19.000 0.446 0.000 0.818 56 A HN 0.497 nan 8.150 nan 0.000 0.443 57 A N 0.071 123.005 122.820 0.190 0.000 1.841 57 A HA 0.086 4.407 4.320 0.002 0.000 0.216 57 A C 2.583 180.009 177.584 -0.265 0.000 1.199 57 A CA 2.631 54.507 52.037 -0.268 0.000 0.621 57 A CB -1.357 17.545 19.000 -0.163 0.000 0.835 57 A HN 1.190 nan 8.150 nan 0.000 0.445 58 A N -0.226 122.574 122.820 -0.033 0.000 1.892 58 A HA 0.024 4.345 4.320 0.002 0.000 0.218 58 A C 2.566 180.109 177.584 -0.068 0.000 1.188 58 A CA 2.842 54.874 52.037 -0.009 0.000 0.631 58 A CB -1.293 17.750 19.000 0.072 0.000 0.822 58 A HN 1.307 nan 8.150 nan 0.000 0.447 59 A N -0.473 122.321 122.820 -0.043 0.000 1.917 59 A HA -0.139 4.182 4.320 0.002 0.000 0.219 59 A C 2.188 179.685 177.584 -0.145 0.000 1.182 59 A CA 1.735 53.743 52.037 -0.048 0.000 0.633 59 A CB -0.661 18.352 19.000 0.023 0.000 0.819 59 A HN 0.514 nan 8.150 nan 0.000 0.448 60 L N -0.977 120.049 121.223 -0.329 0.000 2.141 60 L HA -0.135 4.207 4.340 0.002 0.000 0.209 60 L C 2.673 179.306 176.870 -0.394 0.000 1.094 60 L CA 1.042 55.569 54.840 -0.523 0.000 0.763 60 L CB -0.435 40.873 42.059 -1.251 0.000 0.908 60 L HN 0.392 nan 8.230 nan 0.000 0.437 61 E N -0.149 119.875 120.200 -0.293 0.000 2.028 61 E HA -0.118 4.233 4.350 0.002 0.000 0.190 61 E C 2.281 178.870 176.600 -0.018 0.000 0.984 61 E CA 1.145 57.533 56.400 -0.021 0.000 0.800 61 E CB -0.047 29.681 29.700 0.046 0.000 0.758 61 E HN 0.280 nan 8.360 nan 0.000 0.448 62 V N 0.958 120.841 119.914 -0.052 0.000 2.788 62 V HA -0.099 4.022 4.120 0.002 0.000 0.251 62 V C 2.145 178.175 176.094 -0.107 0.000 1.068 62 V CA 1.029 63.298 62.300 -0.052 0.000 1.090 62 V CB -0.157 31.642 31.823 -0.039 0.000 0.710 62 V HN 0.148 nan 8.190 nan 0.000 0.467 63 L N -0.702 120.432 121.223 -0.148 0.000 2.685 63 L HA 0.573 4.915 4.340 0.002 0.000 0.235 63 L C 1.082 177.855 176.870 -0.163 0.000 1.070 63 L CA 0.592 55.256 54.840 -0.293 0.000 0.888 63 L CB 0.053 41.872 42.059 -0.400 0.000 1.203 63 L HN 0.441 nan 8.230 nan 0.000 0.499 64 G N 0.275 109.030 108.800 -0.076 0.000 2.767 64 G HA2 -0.121 3.840 3.960 0.002 0.000 0.686 64 G HA3 -0.121 3.840 3.960 0.002 0.000 0.686 64 G C 0.717 175.640 174.900 0.038 0.000 1.213 64 G CA -0.182 44.920 45.100 0.004 0.000 0.803 64 G HN 0.220 nan 8.290 nan 0.000 0.603 65 A N 1.374 124.236 122.820 0.070 0.000 1.903 65 A HA -0.135 4.186 4.320 0.002 0.000 0.219 65 A C 2.278 179.909 177.584 0.077 0.000 1.191 65 A CA 2.545 54.638 52.037 0.093 0.000 0.638 65 A CB -0.491 18.596 19.000 0.145 0.000 0.823 65 A HN 1.570 nan 8.150 nan 0.000 0.451 66 D N -0.915 119.525 120.400 0.067 0.000 2.384 66 D HA -0.157 4.484 4.640 0.002 0.000 0.222 66 D C 0.680 176.976 176.300 -0.007 0.000 0.976 66 D CA 0.582 54.600 54.000 0.031 0.000 0.915 66 D CB -0.727 40.090 40.800 0.029 0.000 0.896 66 D HN 0.624 nan 8.370 nan 0.000 0.523 67 H N 0.961 119.964 119.070 -0.111 0.000 2.871 67 H HA 0.237 4.794 4.556 0.002 0.000 0.355 67 H C 0.037 175.154 175.328 -0.351 0.000 1.092 67 H CA 0.441 56.351 56.048 -0.230 0.000 1.420 67 H CB 0.700 30.307 29.762 -0.258 0.000 1.400 67 H HN 0.084 nan 8.280 nan 0.000 0.604 68 S N 3.148 118.198 115.700 -1.083 0.000 2.579 68 S HA 0.575 5.046 4.470 0.002 0.000 0.272 68 S C -1.431 172.443 174.600 -1.209 0.000 1.141 68 S CA -1.014 56.657 58.200 -0.882 0.000 0.843 68 S CB 1.217 64.159 63.200 -0.430 0.000 1.122 68 S HN 0.368 nan 8.310 nan 0.000 0.468 69 F N 0.396 120.127 119.950 -0.365 0.000 2.458 69 F HA 0.831 5.359 4.527 0.002 0.000 0.330 69 F C 0.989 176.585 175.800 -0.341 0.000 1.082 69 F CA -0.378 57.428 58.000 -0.325 0.000 0.995 69 F CB 1.846 40.702 39.000 -0.239 0.000 1.170 69 F HN 0.995 nan 8.300 nan 0.000 0.478 70 G N 0.103 108.782 108.800 -0.200 0.000 2.519 70 G HA2 0.654 4.615 3.960 0.002 0.000 0.307 70 G HA3 0.654 4.615 3.960 0.002 0.000 0.307 70 G C -1.447 173.315 174.900 -0.229 0.000 1.266 70 G CA -0.739 44.219 45.100 -0.236 0.000 0.970 70 G HN 0.557 nan 8.290 nan 0.000 0.481 71 T N 0.462 114.916 114.554 -0.166 0.000 2.908 71 T HA 0.722 5.073 4.350 0.002 0.000 0.290 71 T C -0.680 173.951 174.700 -0.115 0.000 1.034 71 T CA -0.593 61.421 62.100 -0.143 0.000 1.010 71 T CB 2.400 71.223 68.868 -0.075 0.000 1.068 71 T HN 0.554 nan 8.240 nan 0.000 0.481 72 E N 0.218 120.342 120.200 -0.127 0.000 2.433 72 E HA 0.641 4.992 4.350 0.002 0.000 0.278 72 E C -1.640 174.911 176.600 -0.083 0.000 0.976 72 E CA -0.913 55.436 56.400 -0.086 0.000 0.793 72 E CB 2.510 32.164 29.700 -0.077 0.000 1.311 72 E HN 0.283 nan 8.360 nan 0.000 0.460 73 V N 0.897 120.799 119.914 -0.019 0.000 2.577 73 V HA 0.808 4.929 4.120 0.002 0.000 0.303 73 V C -0.846 175.318 176.094 0.117 0.000 1.042 73 V CA -0.582 61.739 62.300 0.035 0.000 0.872 73 V CB 1.406 33.275 31.823 0.075 0.000 0.998 73 V HN 0.756 nan 8.190 nan 0.000 0.423 74 A N 3.472 126.418 122.820 0.209 0.000 2.475 74 A HA 1.042 5.363 4.320 0.002 0.000 0.301 74 A C -0.545 177.273 177.584 0.390 0.000 1.059 74 A CA -0.234 51.959 52.037 0.259 0.000 0.710 74 A CB 2.047 21.206 19.000 0.265 0.000 1.288 74 A HN 1.555 nan 8.150 nan 0.000 0.408 75 A N 0.106 123.057 122.820 0.218 0.000 2.454 75 A HA 0.672 4.993 4.320 0.002 0.000 0.302 75 A C 0.599 177.902 177.584 -0.468 0.000 1.079 75 A CA 0.125 52.183 52.037 0.035 0.000 0.731 75 A CB 1.063 20.073 19.000 0.018 0.000 1.299 75 A HN 1.040 nan 8.150 nan 0.000 0.413 76 E N 0.576 120.079 120.200 -1.161 0.000 2.233 76 E HA -0.136 4.215 4.350 0.002 0.000 0.199 76 E C 0.354 176.570 176.600 -0.640 0.000 1.004 76 E CA 1.599 57.081 56.400 -1.530 0.000 0.819 76 E CB 0.014 28.907 29.700 -1.344 0.000 0.738 76 E HN 0.809 nan 8.360 nan 0.000 0.478 77 S N -2.018 113.459 115.700 -0.372 0.000 2.578 77 S HA 0.606 5.077 4.470 0.002 0.000 0.272 77 S C -0.574 173.955 174.600 -0.119 0.000 1.145 77 S CA -0.760 57.320 58.200 -0.201 0.000 0.835 77 S CB 1.051 64.143 63.200 -0.180 0.000 1.104 77 S HN 0.292 nan 8.310 nan 0.000 0.458 78 A N 2.115 124.890 122.820 -0.074 0.000 2.536 78 A HA 0.535 4.856 4.320 0.002 0.000 0.234 78 A C -1.892 175.669 177.584 -0.039 0.000 1.076 78 A CA -0.527 51.485 52.037 -0.042 0.000 0.769 78 A CB -1.052 17.930 19.000 -0.030 0.000 1.020 78 A HN 0.738 nan 8.150 nan 0.000 0.508 79 P HA 0.131 nan 4.420 nan 0.000 0.266 79 P C 0.582 177.870 177.300 -0.020 0.000 1.195 79 P CA 0.569 63.659 63.100 -0.017 0.000 0.768 79 P CB 0.341 32.037 31.700 -0.007 0.000 0.838 80 G N 2.186 110.974 108.800 -0.020 0.000 2.583 80 G HA2 -0.033 3.928 3.960 0.002 0.000 0.275 80 G HA3 -0.033 3.928 3.960 0.002 0.000 0.275 80 G C 0.999 175.891 174.900 -0.014 0.000 1.342 80 G CA -0.471 44.618 45.100 -0.019 0.000 1.030 80 G HN 0.579 nan 8.290 nan 0.000 0.520 81 R N -0.916 119.576 120.500 -0.012 0.000 2.237 81 R HA 0.025 4.367 4.340 0.002 0.000 0.219 81 R C 2.047 178.342 176.300 -0.009 0.000 1.080 81 R CA 0.869 56.963 56.100 -0.010 0.000 0.995 81 R CB -0.049 30.245 30.300 -0.009 0.000 0.875 81 R HN 0.438 nan 8.270 nan 0.000 0.462 82 R N -0.662 119.833 120.500 -0.008 0.000 2.466 82 R HA 0.098 4.439 4.340 0.002 0.000 0.279 82 R C 0.027 176.323 176.300 -0.007 0.000 0.976 82 R CA 0.538 56.634 56.100 -0.007 0.000 1.081 82 R CB 0.512 30.809 30.300 -0.006 0.000 1.215 82 R HN 0.382 nan 8.270 nan 0.000 0.546 83 G N 1.576 110.372 108.800 -0.008 0.000 2.341 83 G HA2 -0.306 3.655 3.960 0.002 0.000 0.292 83 G HA3 -0.306 3.655 3.960 0.002 0.000 0.292 83 G C -0.382 174.515 174.900 -0.005 0.000 1.021 83 G CA 0.621 45.717 45.100 -0.007 0.000 0.905 83 G HN 0.479 nan 8.290 nan 0.000 0.508 84 E N -1.578 118.619 120.200 -0.005 0.000 2.232 84 E HA 0.737 5.088 4.350 0.002 0.000 0.264 84 E C -0.176 176.424 176.600 0.001 0.000 0.973 84 E CA -0.955 55.445 56.400 0.000 0.000 0.849 84 E CB 2.455 32.156 29.700 0.001 0.000 1.198 84 E HN 0.124 nan 8.360 nan 0.000 0.407 85 V N 1.264 121.186 119.914 0.014 0.000 3.114 85 V HA 0.066 4.187 4.120 0.002 0.000 0.308 85 V C 0.094 176.216 176.094 0.046 0.000 1.168 85 V CA -0.692 61.621 62.300 0.022 0.000 1.015 85 V CB 1.955 33.805 31.823 0.044 0.000 1.050 85 V HN 0.611 nan 8.190 nan 0.000 0.433 86 Q N 1.125 120.962 119.800 0.062 0.000 2.050 86 Q HA 0.215 4.556 4.340 0.002 0.000 0.200 86 Q C -0.232 175.873 176.000 0.175 0.000 0.988 86 Q CA 1.245 57.110 55.803 0.103 0.000 0.845 86 Q CB 0.179 28.979 28.738 0.104 0.000 0.917 86 Q HN 0.791 nan 8.270 nan 0.000 0.481 87 D N 0.322 120.898 120.400 0.293 0.000 2.256 87 D HA 0.321 4.962 4.640 0.002 0.000 0.240 87 D C -1.145 175.449 176.300 0.491 0.000 1.062 87 D CA -0.398 53.849 54.000 0.412 0.000 0.832 87 D CB 1.420 42.594 40.800 0.623 0.000 1.135 87 D HN 0.125 nan 8.370 nan 0.000 0.484 88 L N 2.931 124.348 121.223 0.323 0.000 2.322 88 L HA 0.426 4.767 4.340 0.002 0.000 0.279 88 L C -1.503 175.526 176.870 0.264 0.000 1.036 88 L CA -0.536 54.510 54.840 0.343 0.000 0.807 88 L CB 0.763 42.962 42.059 0.234 0.000 1.226 88 L HN 0.260 nan 8.230 nan 0.000 0.433 89 Y N 4.845 125.310 120.300 0.275 0.000 2.326 89 Y HA 0.460 5.011 4.550 0.002 0.000 0.331 89 Y C -0.547 175.384 175.900 0.052 0.000 0.962 89 Y CA -0.744 57.461 58.100 0.176 0.000 1.167 89 Y CB 1.746 40.266 38.460 0.100 0.000 1.148 89 Y HN 0.426 nan 8.280 nan 0.000 0.463 90 L N 5.709 126.957 121.223 0.042 0.000 2.268 90 L HA 0.524 4.866 4.340 0.002 0.000 0.289 90 L C -1.082 175.744 176.870 -0.074 0.000 1.064 90 L CA -0.371 54.367 54.840 -0.171 0.000 0.824 90 L CB 0.124 41.968 42.059 -0.358 0.000 1.202 90 L HN 0.379 nan 8.230 nan 0.000 0.433 91 V N 5.415 125.287 119.914 -0.070 0.000 2.347 91 V HA 0.669 4.790 4.120 0.002 0.000 0.280 91 V C 0.816 176.823 176.094 -0.144 0.000 1.021 91 V CA -0.320 61.941 62.300 -0.066 0.000 0.847 91 V CB 0.963 32.757 31.823 -0.048 0.000 0.990 91 V HN 0.869 nan 8.190 nan 0.000 0.444 92 G N 3.925 112.637 108.800 -0.146 0.000 2.389 92 G HA2 0.626 4.587 3.960 0.002 0.000 0.328 92 G HA3 0.626 4.587 3.960 0.002 0.000 0.328 92 G C -0.077 174.628 174.900 -0.325 0.000 1.133 92 G CA -0.669 44.307 45.100 -0.206 0.000 0.891 92 G HN 0.642 nan 8.290 nan 0.000 0.485 93 R N 1.054 121.262 120.500 -0.488 0.000 2.772 93 R HA 0.336 4.677 4.340 0.002 0.000 0.358 93 R C 0.763 176.660 176.300 -0.670 0.000 1.143 93 R CA 0.120 55.640 56.100 -0.966 0.000 1.153 93 R CB 1.001 30.421 30.300 -1.467 0.000 1.329 93 R HN 1.068 nan 8.270 nan 0.000 0.615 94 G N 1.384 109.887 108.800 -0.495 0.000 2.149 94 G HA2 -0.251 3.710 3.960 0.002 0.000 0.235 94 G HA3 -0.251 3.710 3.960 0.002 0.000 0.235 94 G C -0.488 174.183 174.900 -0.383 0.000 1.018 94 G CA 0.126 44.989 45.100 -0.394 0.000 0.728 94 G HN 0.451 nan 8.290 nan 0.000 0.508 95 D N 0.483 120.709 120.400 -0.289 0.000 2.339 95 D HA 0.464 5.105 4.640 0.002 0.000 0.241 95 D C -0.252 175.857 176.300 -0.318 0.000 1.183 95 D CA -2.003 51.810 54.000 -0.312 0.000 0.859 95 D CB 1.230 41.944 40.800 -0.142 0.000 1.067 95 D HN 0.140 nan 8.370 nan 0.000 0.484 96 P HA 0.005 nan 4.420 nan 0.000 0.249 96 P C 0.444 177.573 177.300 -0.284 0.000 1.229 96 P CA 0.483 63.362 63.100 -0.368 0.000 0.788 96 P CB 0.203 31.462 31.700 -0.736 0.000 1.072 97 T N -3.901 110.430 114.554 -0.371 0.000 3.084 97 T HA 0.194 4.545 4.350 0.002 0.000 0.270 97 T C 0.479 175.118 174.700 -0.101 0.000 1.008 97 T CA -0.435 61.359 62.100 -0.511 0.000 0.900 97 T CB -0.608 67.674 68.868 -0.977 0.000 1.084 97 T HN -0.137 nan 8.240 nan 0.000 0.538 98 L N 4.699 125.915 121.223 -0.012 0.000 2.678 98 L HA 0.336 4.677 4.340 0.002 0.000 0.276 98 L C 0.559 177.499 176.870 0.117 0.000 1.142 98 L CA -0.167 54.718 54.840 0.076 0.000 0.961 98 L CB -0.668 41.413 42.059 0.036 0.000 1.291 98 L HN 0.482 nan 8.230 nan 0.000 0.476 99 S N 3.375 119.159 115.700 0.141 0.000 2.681 99 S HA 0.610 5.081 4.470 0.002 0.000 0.270 99 S C 1.308 175.952 174.600 0.073 0.000 1.209 99 S CA -0.284 57.997 58.200 0.136 0.000 0.988 99 S CB 1.237 64.531 63.200 0.156 0.000 1.006 99 S HN 0.721 nan 8.310 nan 0.000 0.558 100 A N 0.225 123.082 122.820 0.063 0.000 2.015 100 A HA 0.023 4.344 4.320 0.002 0.000 0.219 100 A C 1.905 179.505 177.584 0.026 0.000 1.163 100 A CA 1.359 53.425 52.037 0.049 0.000 0.646 100 A CB -1.011 18.015 19.000 0.044 0.000 0.806 100 A HN 0.857 nan 8.150 nan 0.000 0.448 101 E N 0.832 121.039 120.200 0.012 0.000 2.047 101 E HA -0.140 4.211 4.350 0.002 0.000 0.191 101 E C 1.536 178.108 176.600 -0.048 0.000 0.987 101 E CA 1.401 57.793 56.400 -0.013 0.000 0.799 101 E CB -0.255 29.439 29.700 -0.010 0.000 0.752 101 E HN 0.550 nan 8.360 nan 0.000 0.449 102 D N 0.436 120.783 120.400 -0.087 0.000 2.104 102 D HA -0.166 4.475 4.640 0.002 0.000 0.194 102 D C 2.073 178.315 176.300 -0.096 0.000 0.994 102 D CA 0.890 54.749 54.000 -0.235 0.000 0.830 102 D CB -0.292 40.316 40.800 -0.320 0.000 0.959 102 D HN 0.160 nan 8.370 nan 0.000 0.452 103 L N 0.852 122.081 121.223 0.011 0.000 2.079 103 L HA -0.181 4.160 4.340 0.002 0.000 0.210 103 L C 2.292 179.269 176.870 0.179 0.000 1.081 103 L CA 1.176 56.104 54.840 0.148 0.000 0.752 103 L CB -0.345 41.824 42.059 0.182 0.000 0.896 103 L HN 0.058 nan 8.230 nan 0.000 0.433 104 D N -0.052 120.384 120.400 0.059 0.000 2.123 104 D HA -0.140 4.501 4.640 0.002 0.000 0.200 104 D C 2.144 178.450 176.300 0.009 0.000 0.976 104 D CA 1.164 55.172 54.000 0.014 0.000 0.831 104 D CB 0.402 41.195 40.800 -0.012 0.000 0.974 104 D HN 0.279 nan 8.370 nan 0.000 0.469 105 A N 1.228 124.041 122.820 -0.012 0.000 1.873 105 A HA -0.216 4.105 4.320 0.002 0.000 0.218 105 A C 2.381 179.977 177.584 0.020 0.000 1.193 105 A CA 1.846 53.868 52.037 -0.025 0.000 0.629 105 A CB -0.688 18.257 19.000 -0.091 0.000 0.826 105 A HN 0.286 nan 8.150 nan 0.000 0.447 106 M N -0.787 118.853 119.600 0.067 0.000 2.175 106 M HA -0.129 4.352 4.480 0.002 0.000 0.264 106 M C 2.525 178.950 176.300 0.209 0.000 1.063 106 M CA 1.312 56.703 55.300 0.151 0.000 1.119 106 M CB -0.525 32.189 32.600 0.189 0.000 1.377 106 M HN 0.498 nan 8.290 nan 0.000 0.415 107 A N 0.558 123.487 122.820 0.182 0.000 1.978 107 A HA -0.073 4.248 4.320 0.002 0.000 0.220 107 A C 2.355 179.913 177.584 -0.044 0.000 1.170 107 A CA 1.968 53.964 52.037 -0.069 0.000 0.636 107 A CB -0.734 18.122 19.000 -0.240 0.000 0.810 107 A HN 0.513 nan 8.150 nan 0.000 0.448 108 A N -0.156 122.660 122.820 -0.007 0.000 1.872 108 A HA -0.089 4.232 4.320 0.002 0.000 0.214 108 A C 1.860 179.448 177.584 0.007 0.000 1.187 108 A CA 1.349 53.379 52.037 -0.012 0.000 0.614 108 A CB -0.502 18.492 19.000 -0.010 0.000 0.826 108 A HN 0.591 nan 8.150 nan 0.000 0.442 109 E N -0.088 120.130 120.200 0.030 0.000 2.209 109 E HA -0.128 4.223 4.350 0.002 0.000 0.196 109 E C 1.820 178.445 176.600 0.041 0.000 0.993 109 E CA 1.247 57.668 56.400 0.035 0.000 0.819 109 E CB -0.260 29.468 29.700 0.047 0.000 0.745 109 E HN 0.424 nan 8.360 nan 0.000 0.477 110 V N 0.984 120.932 119.914 0.057 0.000 2.548 110 V HA -0.192 3.929 4.120 0.002 0.000 0.249 110 V C 2.202 178.308 176.094 0.020 0.000 1.055 110 V CA 1.665 64.001 62.300 0.059 0.000 1.065 110 V CB -0.453 31.428 31.823 0.096 0.000 0.681 110 V HN 0.308 nan 8.190 nan 0.000 0.462 111 A N 0.266 123.084 122.820 -0.003 0.000 1.874 111 A HA 0.091 4.412 4.320 0.002 0.000 0.214 111 A C 2.305 179.886 177.584 -0.006 0.000 1.189 111 A CA 1.357 53.385 52.037 -0.015 0.000 0.615 111 A CB -0.729 18.253 19.000 -0.030 0.000 0.830 111 A HN 0.543 nan 8.150 nan 0.000 0.443 112 A N 0.394 123.213 122.820 -0.002 0.000 2.259 112 A HA 0.035 4.356 4.320 0.002 0.000 0.212 112 A C 2.019 179.606 177.584 0.004 0.000 1.178 112 A CA 1.731 53.769 52.037 0.000 0.000 0.734 112 A CB -0.747 18.254 19.000 0.003 0.000 0.774 112 A HN 0.978 nan 8.150 nan 0.000 0.481 113 S N -2.642 113.062 115.700 0.008 0.000 2.540 113 S HA 0.425 4.896 4.470 0.002 0.000 0.218 113 S C 1.225 175.827 174.600 0.003 0.000 0.977 113 S CA 0.903 59.108 58.200 0.009 0.000 0.918 113 S CB -0.084 63.127 63.200 0.018 0.000 0.806 113 S HN 1.815 nan 8.310 nan 0.000 0.496 114 G N 0.489 109.289 108.800 -0.000 0.000 2.157 114 G HA2 -0.218 3.743 3.960 0.002 0.000 0.239 114 G HA3 -0.218 3.743 3.960 0.002 0.000 0.239 114 G C -0.038 174.860 174.900 -0.004 0.000 0.982 114 G CA -0.100 44.998 45.100 -0.004 0.000 0.650 114 G HN 0.675 nan 8.290 nan 0.000 0.527 115 V N 1.029 120.942 119.914 -0.001 0.000 2.583 115 V HA 0.558 4.679 4.120 0.002 0.000 0.287 115 V C 1.427 177.515 176.094 -0.011 0.000 1.051 115 V CA 0.180 62.479 62.300 -0.002 0.000 1.010 115 V CB 1.603 33.430 31.823 0.007 0.000 0.988 115 V HN 0.322 nan 8.190 nan 0.000 0.478 116 R N 1.576 122.070 120.500 -0.011 0.000 2.320 116 R HA 0.243 4.584 4.340 0.002 0.000 0.193 116 R C 0.054 176.343 176.300 -0.019 0.000 0.885 116 R CA 0.622 56.712 56.100 -0.017 0.000 1.085 116 R CB 1.157 31.450 30.300 -0.013 0.000 1.253 116 R HN 0.777 nan 8.270 nan 0.000 0.636 117 T N 0.206 114.753 114.554 -0.011 0.000 2.900 117 T HA 0.422 4.773 4.350 0.002 0.000 0.303 117 T C -1.102 173.599 174.700 0.001 0.000 1.142 117 T CA -0.455 61.639 62.100 -0.010 0.000 1.007 117 T CB 2.986 71.850 68.868 -0.007 0.000 1.156 117 T HN -0.212 nan 8.240 nan 0.000 0.490 118 V N 3.087 123.003 119.914 0.003 0.000 2.293 118 V HA 0.320 4.441 4.120 0.002 0.000 0.275 118 V C 1.376 177.485 176.094 0.025 0.000 1.021 118 V CA -0.640 61.673 62.300 0.023 0.000 0.815 118 V CB 0.924 32.761 31.823 0.025 0.000 1.025 118 V HN 0.756 nan 8.190 nan 0.000 0.448 119 R N 4.211 124.731 120.500 0.033 0.000 2.103 119 R HA -0.078 4.263 4.340 0.002 0.000 0.234 119 R C 1.615 177.943 176.300 0.046 0.000 1.132 119 R CA 2.131 58.252 56.100 0.035 0.000 0.925 119 R CB -0.688 29.634 30.300 0.037 0.000 0.842 119 R HN 0.784 nan 8.270 nan 0.000 0.430 120 G N -0.576 108.270 108.800 0.075 0.000 2.711 120 G HA2 0.037 3.998 3.960 0.002 0.000 0.186 120 G HA3 0.037 3.998 3.960 0.002 0.000 0.186 120 G C -0.400 174.536 174.900 0.060 0.000 1.635 120 G CA -0.006 45.152 45.100 0.096 0.000 1.065 120 G HN 0.355 nan 8.290 nan 0.000 0.545 121 D N -1.130 119.312 120.400 0.069 0.000 2.569 121 D HA 0.479 5.120 4.640 0.002 0.000 0.266 121 D C -0.834 175.378 176.300 -0.145 0.000 1.164 121 D CA -0.359 53.582 54.000 -0.099 0.000 1.071 121 D CB 2.028 42.658 40.800 -0.284 0.000 1.183 121 D HN 0.158 nan 8.370 nan 0.000 0.613 122 L N 0.735 121.760 121.223 -0.329 0.000 2.356 122 L HA 0.383 4.724 4.340 0.002 0.000 0.277 122 L C -1.792 174.785 176.870 -0.489 0.000 0.996 122 L CA -0.493 54.203 54.840 -0.240 0.000 0.822 122 L CB 0.881 42.890 42.059 -0.083 0.000 1.256 122 L HN 0.217 nan 8.230 nan 0.000 0.413 123 Y N 3.319 123.396 120.300 -0.372 0.000 2.468 123 Y HA 0.773 5.324 4.550 0.001 0.000 0.342 123 Y C 0.264 176.028 175.900 -0.227 0.000 1.021 123 Y CA -0.693 57.163 58.100 -0.407 0.000 1.079 123 Y CB 2.121 40.057 38.460 -0.873 0.000 1.226 123 Y HN 0.740 nan 8.280 nan 0.000 0.460 124 A N 2.140 124.987 122.820 0.045 0.000 2.249 124 A HA 0.404 4.726 4.320 0.002 0.000 0.314 124 A C -1.142 176.495 177.584 0.088 0.000 1.290 124 A CA -0.525 51.533 52.037 0.035 0.000 0.893 124 A CB 0.142 19.153 19.000 0.017 0.000 1.165 124 A HN 0.642 nan 8.150 nan 0.000 0.530 125 D N 2.585 123.039 120.400 0.089 0.000 2.427 125 D HA 0.280 4.921 4.640 0.002 0.000 0.226 125 D C -0.295 176.034 176.300 0.047 0.000 1.076 125 D CA -0.262 53.799 54.000 0.102 0.000 0.849 125 D CB 1.146 42.034 40.800 0.146 0.000 1.052 125 D HN 0.548 nan 8.370 nan 0.000 0.515 126 D N 1.095 121.531 120.400 0.059 0.000 2.469 126 D HA -0.085 4.556 4.640 0.002 0.000 0.215 126 D C 1.336 177.700 176.300 0.106 0.000 1.154 126 D CA 0.025 54.059 54.000 0.056 0.000 0.832 126 D CB -0.418 40.416 40.800 0.058 0.000 1.008 126 D HN 0.361 nan 8.370 nan 0.000 0.506 127 T N -2.942 111.672 114.554 0.101 0.000 2.969 127 T HA -0.231 4.120 4.350 0.002 0.000 0.271 127 T C 1.412 176.202 174.700 0.150 0.000 1.127 127 T CA 0.470 62.630 62.100 0.100 0.000 1.102 127 T CB -1.155 67.749 68.868 0.060 0.000 0.855 127 T HN 0.447 nan 8.240 nan 0.000 0.536 128 W N 0.738 122.009 121.300 -0.049 0.000 2.424 128 W HA 0.121 4.782 4.660 0.002 0.000 0.264 128 W C -0.753 175.820 176.519 0.090 0.000 1.229 128 W CA 0.066 57.370 57.345 -0.068 0.000 1.208 128 W CB -0.033 29.297 29.460 -0.217 0.000 1.127 128 W HN 0.140 nan 8.180 nan 0.000 0.588 129 F N 1.128 121.087 119.950 0.015 0.000 2.579 129 F HA 0.237 4.765 4.527 0.002 0.000 0.324 129 F C 0.519 176.242 175.800 -0.128 0.000 1.058 129 F CA -2.286 55.636 58.000 -0.130 0.000 0.944 129 F CB 0.244 39.195 39.000 -0.082 0.000 1.245 129 F HN -0.336 nan 8.300 nan 0.000 0.477 130 D N 0.497 120.873 120.400 -0.040 0.000 2.472 130 D HA -0.102 4.539 4.640 0.002 0.000 0.237 130 D C 0.754 177.021 176.300 -0.054 0.000 1.141 130 D CA 0.475 54.419 54.000 -0.094 0.000 0.875 130 D CB 1.272 41.952 40.800 -0.201 0.000 1.192 130 D HN 0.479 nan 8.370 nan 0.000 0.450 131 S N 2.280 117.972 115.700 -0.013 0.000 2.720 131 S HA -0.083 4.389 4.470 0.002 0.000 0.222 131 S C 0.576 175.189 174.600 0.022 0.000 0.958 131 S CA -0.101 58.109 58.200 0.017 0.000 0.943 131 S CB -0.114 63.105 63.200 0.031 0.000 0.779 131 S HN 0.437 nan 8.310 nan 0.000 0.526 132 E N 1.355 121.555 120.200 -0.001 0.000 2.070 132 E HA 0.126 4.478 4.350 0.002 0.000 0.282 132 E C 0.824 177.499 176.600 0.124 0.000 1.104 132 E CA -0.474 55.979 56.400 0.089 0.000 0.876 132 E CB 0.334 30.134 29.700 0.166 0.000 1.055 132 E HN 0.218 nan 8.360 nan 0.000 0.401 133 R N 2.809 123.406 120.500 0.162 0.000 2.093 133 R HA 0.125 4.466 4.340 0.002 0.000 0.224 133 R C 0.546 177.068 176.300 0.370 0.000 1.101 133 R CA 0.746 56.971 56.100 0.209 0.000 0.979 133 R CB -0.209 30.192 30.300 0.169 0.000 0.877 133 R HN 0.451 nan 8.270 nan 0.000 0.441 134 L N 0.562 121.940 121.223 0.258 0.000 2.362 134 L HA 0.386 4.727 4.340 0.002 0.000 0.271 134 L C -0.240 176.320 176.870 -0.517 0.000 1.002 134 L CA -1.150 53.700 54.840 0.016 0.000 0.818 134 L CB 2.597 44.772 42.059 0.192 0.000 1.298 134 L HN -0.312 nan 8.230 nan 0.000 0.420 135 V N 1.688 120.675 119.914 -1.546 0.000 2.673 135 V HA -0.090 4.031 4.120 0.002 0.000 0.303 135 V C 0.860 176.470 176.094 -0.806 0.000 1.046 135 V CA 0.126 61.430 62.300 -1.659 0.000 1.126 135 V CB 0.797 31.188 31.823 -2.387 0.000 0.934 135 V HN 0.989 nan 8.190 nan 0.000 0.487 136 D N 4.031 124.121 120.400 -0.515 0.000 2.191 136 D HA -0.280 4.361 4.640 0.002 0.000 0.190 136 D C 1.121 177.337 176.300 -0.140 0.000 1.007 136 D CA 1.923 55.779 54.000 -0.241 0.000 0.865 136 D CB -0.393 40.298 40.800 -0.182 0.000 0.929 136 D HN 0.796 nan 8.370 nan 0.000 0.447 137 D N -1.644 118.658 120.400 -0.163 0.000 2.395 137 D HA -0.034 4.607 4.640 0.002 0.000 0.226 137 D C -0.474 175.894 176.300 0.113 0.000 1.146 137 D CA -0.716 53.276 54.000 -0.013 0.000 0.830 137 D CB -0.760 40.020 40.800 -0.034 0.000 0.958 137 D HN 0.198 nan 8.370 nan 0.000 0.501 138 W N 0.931 122.172 121.300 -0.098 0.000 2.261 138 W HA 0.251 4.912 4.660 0.002 0.000 0.323 138 W C 0.424 177.001 176.519 0.096 0.000 1.243 138 W CA -1.396 55.894 57.345 -0.091 0.000 1.210 138 W CB 0.204 29.632 29.460 -0.054 0.000 1.149 138 W HN -0.024 nan 8.180 nan 0.000 0.562 139 W N 4.606 126.030 121.300 0.208 0.000 2.368 139 W HA 0.149 4.810 4.660 0.002 0.000 0.316 139 W C -1.272 175.321 176.519 0.124 0.000 1.375 139 W CA -2.403 55.021 57.345 0.131 0.000 1.261 139 W CB -0.368 29.148 29.460 0.094 0.000 1.298 139 W HN 0.280 nan 8.180 nan 0.000 0.539 140 P HA -0.202 nan 4.420 nan 0.000 0.221 140 P C 1.141 178.530 177.300 0.148 0.000 1.145 140 P CA 1.668 64.881 63.100 0.188 0.000 0.795 140 P CB 0.481 32.258 31.700 0.128 0.000 0.775 141 E N -0.883 119.423 120.200 0.177 0.000 2.204 141 E HA -0.132 4.219 4.350 0.002 0.000 0.194 141 E C 1.382 178.117 176.600 0.224 0.000 0.989 141 E CA 0.973 57.460 56.400 0.146 0.000 0.824 141 E CB -0.683 29.073 29.700 0.093 0.000 0.756 141 E HN 0.264 nan 8.360 nan 0.000 0.477 142 D N 0.032 120.608 120.400 0.295 0.000 2.333 142 D HA -0.034 4.607 4.640 0.002 0.000 0.208 142 D C 1.165 177.479 176.300 0.023 0.000 0.984 142 D CA 0.251 54.445 54.000 0.323 0.000 0.873 142 D CB 0.030 41.078 40.800 0.413 0.000 0.935 142 D HN 0.269 nan 8.370 nan 0.000 0.521 143 E N 0.500 120.698 120.200 -0.003 0.000 2.187 143 E HA -0.182 4.169 4.350 0.002 0.000 0.199 143 E C -0.810 175.643 176.600 -0.245 0.000 1.004 143 E CA 0.960 57.313 56.400 -0.077 0.000 0.813 143 E CB -0.630 29.074 29.700 0.008 0.000 0.736 143 E HN 0.340 nan 8.360 nan 0.000 0.468 144 P HA -0.112 nan 4.420 nan 0.000 0.221 144 P C -0.310 176.538 177.300 -0.754 0.000 1.150 144 P CA 1.062 63.785 63.100 -0.629 0.000 0.800 144 P CB 0.036 31.239 31.700 -0.830 0.000 0.787 145 Y N -1.539 118.597 120.300 -0.273 0.000 2.326 145 Y HA 0.392 4.943 4.550 0.002 0.000 0.324 145 Y C 2.032 177.663 175.900 -0.447 0.000 1.291 145 Y CA -0.837 57.015 58.100 -0.413 0.000 1.348 145 Y CB 0.161 38.212 38.460 -0.682 0.000 1.294 145 Y HN -0.209 nan 8.280 nan 0.000 0.525 146 A N 1.413 124.141 122.820 -0.153 0.000 1.902 146 A HA -0.241 4.080 4.320 0.002 0.000 0.217 146 A C 1.755 179.285 177.584 -0.090 0.000 1.181 146 A CA 1.906 53.889 52.037 -0.089 0.000 0.623 146 A CB -1.378 17.620 19.000 -0.004 0.000 0.818 146 A HN 0.929 nan 8.150 nan 0.000 0.443 147 Y N -1.714 118.601 120.300 0.025 0.000 2.639 147 Y HA 0.214 4.765 4.550 0.002 0.000 0.297 147 Y C 1.692 177.500 175.900 -0.153 0.000 1.151 147 Y CA 0.814 58.885 58.100 -0.049 0.000 1.335 147 Y CB -0.645 37.772 38.460 -0.073 0.000 0.994 147 Y HN 0.166 nan 8.280 nan 0.000 0.548 148 S N 0.187 115.667 115.700 -0.367 0.000 2.754 148 S HA 0.634 5.105 4.470 0.002 0.000 0.247 148 S C 0.507 175.070 174.600 -0.062 0.000 1.031 148 S CA -0.264 57.755 58.200 -0.302 0.000 1.014 148 S CB -0.970 62.036 63.200 -0.324 0.000 0.918 148 S HN 0.594 nan 8.310 nan 0.000 0.519 149 A N 1.396 124.216 122.820 -0.000 0.000 2.445 149 A HA 0.396 4.717 4.320 0.002 0.000 0.242 149 A C 0.377 178.094 177.584 0.223 0.000 1.075 149 A CA -0.095 51.993 52.037 0.086 0.000 0.777 149 A CB 0.151 19.197 19.000 0.077 0.000 1.013 149 A HN 0.682 nan 8.150 nan 0.000 0.493 150 Q N 0.324 120.246 119.800 0.203 0.000 2.386 150 Q HA 0.143 4.484 4.340 0.002 0.000 0.282 150 Q C -0.477 175.665 176.000 0.237 0.000 1.050 150 Q CA 0.168 56.116 55.803 0.242 0.000 0.918 150 Q CB 0.440 29.282 28.738 0.173 0.000 1.266 150 Q HN 0.532 nan 8.270 nan 0.000 0.423 151 I N 1.593 122.309 120.570 0.244 0.000 2.315 151 I HA 0.256 4.427 4.170 0.002 0.000 0.291 151 I C 0.058 176.238 176.117 0.106 0.000 1.006 151 I CA 0.153 61.550 61.300 0.163 0.000 1.265 151 I CB 0.816 38.857 38.000 0.068 0.000 1.387 151 I HN 0.442 nan 8.210 nan 0.000 0.475 152 S N 3.714 119.511 115.700 0.161 0.000 2.546 152 S HA 0.692 5.163 4.470 0.002 0.000 0.274 152 S C 0.684 175.419 174.600 0.226 0.000 1.121 152 S CA -0.092 58.216 58.200 0.180 0.000 0.887 152 S CB 1.907 65.175 63.200 0.113 0.000 1.094 152 S HN 0.677 nan 8.310 nan 0.000 0.474 153 A N 3.000 125.929 122.820 0.181 0.000 2.119 153 A HA 0.289 4.610 4.320 0.002 0.000 0.217 153 A C 0.661 178.155 177.584 -0.149 0.000 1.153 153 A CA 0.623 52.536 52.037 -0.206 0.000 0.692 153 A CB -0.236 18.555 19.000 -0.349 0.000 0.799 153 A HN 0.696 nan 8.150 nan 0.000 0.458 154 L N 0.565 121.762 121.223 -0.043 0.000 2.353 154 L HA 0.468 4.809 4.340 0.002 0.000 0.270 154 L C -0.944 175.919 176.870 -0.012 0.000 1.003 154 L CA -0.016 54.792 54.840 -0.053 0.000 0.862 154 L CB 1.447 43.479 42.059 -0.046 0.000 1.221 154 L HN 0.166 nan 8.230 nan 0.000 0.430 155 T N 2.851 117.399 114.554 -0.009 0.000 2.923 155 T HA 0.498 4.849 4.350 0.002 0.000 0.311 155 T C -1.045 173.677 174.700 0.036 0.000 1.183 155 T CA -0.285 61.831 62.100 0.026 0.000 1.020 155 T CB 1.854 70.760 68.868 0.064 0.000 1.165 155 T HN 0.129 nan 8.240 nan 0.000 0.482 156 V N 3.806 123.753 119.914 0.055 0.000 2.465 156 V HA 0.728 4.849 4.120 0.002 0.000 0.279 156 V C 0.886 177.066 176.094 0.144 0.000 1.045 156 V CA -0.627 61.724 62.300 0.086 0.000 0.938 156 V CB 0.855 32.724 31.823 0.078 0.000 0.986 156 V HN 1.097 nan 8.190 nan 0.000 0.467 157 A N 3.647 126.585 122.820 0.197 0.000 2.279 157 A HA 0.673 4.994 4.320 0.002 0.000 0.303 157 A C -0.514 177.253 177.584 0.305 0.000 1.108 157 A CA -0.373 51.847 52.037 0.305 0.000 0.830 157 A CB 0.424 19.701 19.000 0.462 0.000 1.106 157 A HN 1.053 nan 8.150 nan 0.000 0.493 158 H N -0.484 118.688 119.070 0.171 0.000 2.529 158 H HA 0.542 5.099 4.556 0.002 0.000 0.348 158 H C 0.474 175.794 175.328 -0.015 0.000 1.079 158 H CA 0.756 56.849 56.048 0.075 0.000 1.198 158 H CB 1.061 30.852 29.762 0.049 0.000 1.521 158 H HN 1.683 nan 8.280 nan 0.000 0.514 159 G N 3.449 111.958 108.800 -0.485 0.000 2.750 159 G HA2 -0.286 3.675 3.960 0.002 0.000 0.228 159 G HA3 -0.286 3.675 3.960 0.002 0.000 0.228 159 G C 0.544 175.141 174.900 -0.505 0.000 1.367 159 G CA 0.257 45.113 45.100 -0.406 0.000 0.871 159 G HN 0.744 nan 8.290 nan 0.000 0.560 160 E N 0.002 119.960 120.200 -0.403 0.000 2.274 160 E HA -0.022 4.329 4.350 0.002 0.000 0.194 160 E C 2.560 178.895 176.600 -0.442 0.000 0.996 160 E CA 0.910 57.030 56.400 -0.466 0.000 0.840 160 E CB 0.024 29.695 29.700 -0.048 0.000 0.772 160 E HN 0.482 nan 8.360 nan 0.000 0.491 161 R N 0.071 120.398 120.500 -0.289 0.000 2.275 161 R HA 0.063 4.404 4.340 0.002 0.000 0.199 161 R C -0.281 176.075 176.300 0.094 0.000 0.989 161 R CA -0.018 55.987 56.100 -0.157 0.000 1.016 161 R CB -0.170 29.893 30.300 -0.395 0.000 0.918 161 R HN 0.076 nan 8.270 nan 0.000 0.473 162 F N 1.912 121.968 119.950 0.177 0.000 2.457 162 F HA -0.226 4.302 4.527 0.002 0.000 0.290 162 F C -0.655 175.245 175.800 0.166 0.000 1.058 162 F CA 0.253 58.389 58.000 0.226 0.000 1.051 162 F CB -1.093 38.137 39.000 0.383 0.000 1.331 162 F HN 0.089 nan 8.300 nan 0.000 0.814 163 D N 1.718 122.279 120.400 0.268 0.000 2.317 163 D HA 0.272 4.913 4.640 0.002 0.000 0.234 163 D C 0.598 177.020 176.300 0.204 0.000 1.112 163 D CA -0.072 54.031 54.000 0.171 0.000 0.840 163 D CB 1.464 42.323 40.800 0.097 0.000 1.078 163 D HN 0.361 nan 8.370 nan 0.000 0.486 164 T N -1.963 112.706 114.554 0.192 0.000 2.899 164 T HA 0.464 4.815 4.350 0.002 0.000 0.284 164 T C 1.294 176.070 174.700 0.126 0.000 1.004 164 T CA -0.223 61.983 62.100 0.178 0.000 1.043 164 T CB 1.594 70.581 68.868 0.197 0.000 1.013 164 T HN 0.536 nan 8.240 nan 0.000 0.518 165 G N 0.151 109.017 108.800 0.109 0.000 2.233 165 G HA2 -0.151 3.810 3.960 0.002 0.000 0.270 165 G HA3 -0.151 3.810 3.960 0.002 0.000 0.270 165 G C 0.158 175.094 174.900 0.060 0.000 1.011 165 G CA 0.496 45.648 45.100 0.086 0.000 0.762 165 G HN 1.787 nan 8.290 nan 0.000 0.511 166 V N -4.156 115.787 119.914 0.048 0.000 3.113 166 V HA 0.999 5.121 4.120 0.002 0.000 0.316 166 V C 0.014 176.108 176.094 0.001 0.000 1.125 166 V CA -0.122 62.180 62.300 0.004 0.000 1.026 166 V CB 2.092 33.892 31.823 -0.040 0.000 1.080 166 V HN 0.806 nan 8.190 nan 0.000 0.444 167 T N 0.246 114.782 114.554 -0.030 0.000 2.900 167 T HA 0.414 4.765 4.350 0.002 0.000 0.295 167 T C -1.018 173.633 174.700 -0.082 0.000 1.044 167 T CA -0.384 61.707 62.100 -0.015 0.000 0.995 167 T CB 1.778 70.665 68.868 0.032 0.000 1.072 167 T HN 1.070 nan 8.240 nan 0.000 0.473 168 E N 3.519 123.672 120.200 -0.078 0.000 2.001 168 E HA 0.444 4.795 4.350 0.002 0.000 0.279 168 E C -0.600 175.989 176.600 -0.019 0.000 1.045 168 E CA -0.550 55.792 56.400 -0.097 0.000 0.833 168 E CB 0.538 30.201 29.700 -0.062 0.000 1.077 168 E HN 0.443 nan 8.360 nan 0.000 0.397 169 V N 3.660 123.560 119.914 -0.023 0.000 2.530 169 V HA 0.150 4.271 4.120 0.002 0.000 0.282 169 V C 0.013 176.109 176.094 0.003 0.000 1.048 169 V CA -0.273 62.025 62.300 -0.004 0.000 0.997 169 V CB 1.351 33.169 31.823 -0.008 0.000 0.987 169 V HN 0.607 nan 8.190 nan 0.000 0.477 170 S N 3.788 119.495 115.700 0.011 0.000 2.502 170 S HA 0.759 5.230 4.470 0.002 0.000 0.304 170 S C -0.651 173.955 174.600 0.011 0.000 1.097 170 S CA -0.734 57.474 58.200 0.014 0.000 1.045 170 S CB 1.883 65.095 63.200 0.020 0.000 1.019 170 S HN 0.434 nan 8.310 nan 0.000 0.481 171 V N 2.735 122.655 119.914 0.010 0.000 2.482 171 V HA 0.667 4.788 4.120 0.002 0.000 0.295 171 V C 0.049 176.148 176.094 0.009 0.000 1.026 171 V CA -0.641 61.665 62.300 0.009 0.000 0.856 171 V CB 1.535 33.363 31.823 0.008 0.000 1.001 171 V HN 1.059 nan 8.190 nan 0.000 0.424 172 T N 3.167 117.726 114.554 0.008 0.000 2.887 172 T HA 0.692 5.043 4.350 0.002 0.000 0.288 172 T C -2.869 171.835 174.700 0.006 0.000 1.021 172 T CA -2.422 59.683 62.100 0.008 0.000 1.000 172 T CB 2.473 71.346 68.868 0.008 0.000 1.034 172 T HN 0.450 nan 8.240 nan 0.000 0.467 173 P HA 0.422 nan 4.420 nan 0.000 0.271 173 P C -0.446 176.856 177.300 0.004 0.000 1.218 173 P CA -0.254 62.849 63.100 0.005 0.000 0.780 173 P CB 0.967 32.669 31.700 0.004 0.000 0.901 174 A N 2.644 125.467 122.820 0.004 0.000 3.837 174 A HA 0.774 5.095 4.320 0.002 0.000 0.159 174 A C -0.069 177.517 177.584 0.003 0.000 1.157 174 A CA -0.324 51.715 52.037 0.003 0.000 0.890 174 A CB -0.122 18.880 19.000 0.003 0.000 1.553 174 A HN 0.564 nan 8.150 nan 0.000 0.642 175 A N -0.076 122.746 122.820 0.002 0.000 2.371 175 A HA 0.480 4.801 4.320 0.002 0.000 0.257 175 A C 0.310 177.895 177.584 0.002 0.000 1.089 175 A CA 0.012 52.050 52.037 0.002 0.000 0.794 175 A CB -0.240 18.761 19.000 0.002 0.000 1.029 175 A HN 0.728 nan 8.150 nan 0.000 0.488 176 E N 0.810 121.011 120.200 0.002 0.000 2.465 176 E HA 0.295 4.647 4.350 0.002 0.000 0.260 176 E C 1.193 177.794 176.600 0.001 0.000 0.980 176 E CA 0.969 57.370 56.400 0.001 0.000 0.927 176 E CB -0.052 29.649 29.700 0.001 0.000 0.934 176 E HN 1.458 nan 8.360 nan 0.000 0.459 177 G N 3.857 112.657 108.800 0.001 0.000 2.284 177 G HA2 -0.276 3.685 3.960 0.002 0.000 0.230 177 G HA3 -0.276 3.685 3.960 0.002 0.000 0.230 177 G C 0.039 174.939 174.900 0.001 0.000 1.021 177 G CA 0.224 45.324 45.100 0.001 0.000 0.619 177 G HN 0.610 nan 8.290 nan 0.000 0.510 178 E N 2.544 122.744 120.200 0.001 0.000 2.319 178 E HA 0.428 4.779 4.350 0.002 0.000 0.268 178 E C -2.178 174.423 176.600 0.001 0.000 1.050 178 E CA -1.686 54.714 56.400 0.001 0.000 0.878 178 E CB 1.324 31.025 29.700 0.001 0.000 1.066 178 E HN 0.246 nan 8.360 nan 0.000 0.406 179 P HA 0.004 nan 4.420 nan 0.000 0.272 179 P C -0.966 176.335 177.300 0.002 0.000 1.223 179 P CA -0.111 62.990 63.100 0.001 0.000 0.784 179 P CB 0.659 32.359 31.700 -0.000 0.000 0.923 180 A N 2.318 125.139 122.820 0.002 0.000 2.386 180 A HA 0.191 4.512 4.320 0.002 0.000 0.248 180 A C 0.140 177.726 177.584 0.003 0.000 1.082 180 A CA -0.318 51.721 52.037 0.003 0.000 0.789 180 A CB -0.253 18.749 19.000 0.004 0.000 1.025 180 A HN 0.482 nan 8.150 nan 0.000 0.490 181 D N 0.958 121.361 120.400 0.004 0.000 2.277 181 D HA 0.405 5.046 4.640 0.002 0.000 0.249 181 D C -0.663 175.641 176.300 0.006 0.000 1.134 181 D CA 0.229 54.232 54.000 0.005 0.000 0.863 181 D CB 1.449 42.253 40.800 0.006 0.000 1.143 181 D HN 0.119 nan 8.370 nan 0.000 0.458 182 V N 2.494 122.412 119.914 0.006 0.000 2.495 182 V HA 0.195 4.316 4.120 0.002 0.000 0.298 182 V C -0.198 175.902 176.094 0.010 0.000 1.031 182 V CA -0.734 61.570 62.300 0.007 0.000 0.871 182 V CB 2.100 33.925 31.823 0.003 0.000 0.988 182 V HN 0.407 nan 8.190 nan 0.000 0.432 183 D N 3.679 124.087 120.400 0.013 0.000 2.453 183 D HA 0.379 5.021 4.640 0.002 0.000 0.238 183 D C 0.772 177.085 176.300 0.022 0.000 1.088 183 D CA -0.374 53.638 54.000 0.020 0.000 0.854 183 D CB 1.659 42.473 40.800 0.023 0.000 1.076 183 D HN 0.375 nan 8.370 nan 0.000 0.533 184 L N 3.026 124.264 121.223 0.024 0.000 2.265 184 L HA 0.101 4.442 4.340 0.002 0.000 0.215 184 L C 1.791 178.684 176.870 0.039 0.000 1.117 184 L CA 0.902 55.758 54.840 0.026 0.000 0.782 184 L CB -0.745 41.330 42.059 0.026 0.000 0.914 184 L HN 0.737 nan 8.230 nan 0.000 0.441 185 G N -0.408 108.421 108.800 0.050 0.000 2.509 185 G HA2 -0.378 3.583 3.960 0.002 0.000 0.256 185 G HA3 -0.378 3.583 3.960 0.002 0.000 0.256 185 G C 0.805 175.757 174.900 0.086 0.000 1.152 185 G CA 0.331 45.470 45.100 0.064 0.000 0.951 185 G HN 0.269 nan 8.290 nan 0.000 0.559 186 A N -0.153 122.725 122.820 0.097 0.000 2.024 186 A HA 0.354 4.675 4.320 0.002 0.000 0.220 186 A C 2.732 180.397 177.584 0.136 0.000 1.164 186 A CA 3.155 55.262 52.037 0.116 0.000 0.643 186 A CB -0.785 18.284 19.000 0.114 0.000 0.806 186 A HN 2.317 nan 8.150 nan 0.000 0.451 187 A N -0.514 122.374 122.820 0.113 0.000 2.238 187 A HA 0.166 4.487 4.320 0.002 0.000 0.208 187 A C 0.578 178.226 177.584 0.107 0.000 1.177 187 A CA -0.130 51.991 52.037 0.139 0.000 0.804 187 A CB -0.182 18.902 19.000 0.141 0.000 0.823 187 A HN 0.394 nan 8.150 nan 0.000 0.482 188 E N -0.390 119.878 120.200 0.113 0.000 2.452 188 E HA 0.241 4.592 4.350 0.002 0.000 0.261 188 E C 1.315 177.993 176.600 0.129 0.000 0.987 188 E CA 1.109 57.570 56.400 0.102 0.000 0.926 188 E CB 0.431 30.196 29.700 0.108 0.000 0.934 188 E HN 0.635 nan 8.360 nan 0.000 0.452 189 G N 3.157 111.996 108.800 0.066 0.000 2.189 189 G HA2 -0.375 3.586 3.960 0.002 0.000 0.267 189 G HA3 -0.375 3.586 3.960 0.002 0.000 0.267 189 G C 0.620 175.478 174.900 -0.071 0.000 0.975 189 G CA 0.978 46.120 45.100 0.071 0.000 0.644 189 G HN 0.624 nan 8.290 nan 0.000 0.537 190 Y N 0.606 120.692 120.300 -0.356 0.000 2.539 190 Y HA 0.691 5.242 4.550 0.002 0.000 0.284 190 Y C 1.523 177.298 175.900 -0.208 0.000 1.134 190 Y CA 1.191 59.005 58.100 -0.475 0.000 1.251 190 Y CB 0.135 38.195 38.460 -0.667 0.000 1.260 190 Y HN 0.656 nan 8.280 nan 0.000 0.528 191 A N 0.947 123.602 122.820 -0.275 0.000 2.311 191 A HA 0.558 4.879 4.320 0.002 0.000 0.334 191 A C -0.525 176.960 177.584 -0.165 0.000 1.139 191 A CA -0.746 51.120 52.037 -0.285 0.000 0.830 191 A CB 0.648 19.569 19.000 -0.131 0.000 1.234 191 A HN 0.241 nan 8.150 nan 0.000 0.483 192 E N -0.318 119.792 120.200 -0.151 0.000 2.345 192 E HA 0.424 4.775 4.350 0.002 0.000 0.259 192 E C -1.229 175.331 176.600 -0.066 0.000 1.117 192 E CA -0.394 55.948 56.400 -0.096 0.000 0.913 192 E CB 1.603 31.249 29.700 -0.090 0.000 1.057 192 E HN 0.452 nan 8.360 nan 0.000 0.432 193 L N 1.670 122.865 121.223 -0.046 0.000 2.409 193 L HA 0.334 4.675 4.340 0.002 0.000 0.272 193 L C -1.096 175.758 176.870 -0.027 0.000 0.980 193 L CA -0.402 54.418 54.840 -0.033 0.000 0.826 193 L CB 1.767 43.813 42.059 -0.022 0.000 1.268 193 L HN 0.226 nan 8.230 nan 0.000 0.407 194 D N 3.069 123.454 120.400 -0.025 0.000 2.514 194 D HA 0.195 4.836 4.640 0.002 0.000 0.267 194 D C -0.725 175.566 176.300 -0.015 0.000 1.165 194 D CA -0.173 53.815 54.000 -0.021 0.000 0.958 194 D CB 0.207 40.993 40.800 -0.022 0.000 0.992 194 D HN 0.486 nan 8.370 nan 0.000 0.506 195 N N 2.083 120.776 118.700 -0.012 0.000 2.482 195 N HA 0.144 4.885 4.740 0.002 0.000 0.242 195 N C 0.207 175.713 175.510 -0.006 0.000 1.100 195 N CA 0.031 53.077 53.050 -0.008 0.000 0.946 195 N CB 0.277 38.761 38.487 -0.006 0.000 1.227 195 N HN 0.258 nan 8.380 nan 0.000 0.508 196 R N 1.615 122.112 120.500 -0.005 0.000 2.509 196 R HA 0.349 4.691 4.340 0.002 0.000 0.300 196 R C 0.064 176.363 176.300 -0.002 0.000 0.985 196 R CA -0.371 55.726 56.100 -0.004 0.000 1.092 196 R CB 0.620 30.917 30.300 -0.005 0.000 1.237 196 R HN 0.474 nan 8.270 nan 0.000 0.546 197 A N 0.699 123.519 122.820 -0.001 0.000 2.313 197 A HA 0.448 4.769 4.320 0.002 0.000 0.261 197 A C -0.311 177.274 177.584 0.001 0.000 1.090 197 A CA -0.235 51.802 52.037 0.001 0.000 0.807 197 A CB 1.043 20.044 19.000 0.002 0.000 1.055 197 A HN 0.064 nan 8.150 nan 0.000 0.492 198 V N 0.113 120.028 119.914 0.001 0.000 3.040 198 V HA 0.620 4.742 4.120 0.002 0.000 0.312 198 V C -0.132 175.963 176.094 0.002 0.000 1.115 198 V CA -0.408 61.893 62.300 0.001 0.000 0.998 198 V CB 2.486 34.309 31.823 0.001 0.000 1.042 198 V HN 0.947 nan 8.190 nan 0.000 0.433 199 T N 4.718 119.273 114.554 0.002 0.000 2.728 199 T HA 0.584 4.935 4.350 0.002 0.000 0.296 199 T C 0.246 174.948 174.700 0.002 0.000 0.940 199 T CA 0.372 62.473 62.100 0.002 0.000 1.013 199 T CB 0.760 69.629 68.868 0.002 0.000 0.912 199 T HN 1.068 nan 8.240 nan 0.000 0.484 200 G N 1.672 110.473 108.800 0.002 0.000 2.488 200 G HA2 0.623 4.584 3.960 0.002 0.000 0.318 200 G HA3 0.623 4.584 3.960 0.002 0.000 0.318 200 G C 0.068 174.969 174.900 0.002 0.000 1.188 200 G CA -0.929 44.172 45.100 0.002 0.000 0.944 200 G HN 0.980 nan 8.290 nan 0.000 0.495 201 A N -0.295 122.526 122.820 0.001 0.000 2.586 201 A HA 0.463 4.784 4.320 0.002 0.000 0.231 201 A C 1.176 178.761 177.584 0.002 0.000 1.055 201 A CA 0.599 52.637 52.037 0.001 0.000 0.756 201 A CB -0.300 18.700 19.000 0.001 0.000 0.988 201 A HN 2.019 nan 8.150 nan 0.000 0.509 202 A N 1.173 123.994 122.820 0.002 0.000 2.520 202 A HA 0.503 4.824 4.320 0.002 0.000 0.245 202 A C 1.643 179.228 177.584 0.002 0.000 1.072 202 A CA 0.793 52.831 52.037 0.002 0.000 0.761 202 A CB -0.739 18.262 19.000 0.002 0.000 1.004 202 A HN 2.804 nan 8.150 nan 0.000 0.499 203 G N 1.517 110.318 108.800 0.002 0.000 2.175 203 G HA2 -0.168 3.794 3.960 0.002 0.000 0.244 203 G HA3 -0.168 3.794 3.960 0.002 0.000 0.244 203 G C 0.532 175.433 174.900 0.001 0.000 0.982 203 G CA 0.753 45.853 45.100 0.002 0.000 0.641 203 G HN 2.069 nan 8.290 nan 0.000 0.527 204 S N 0.041 115.742 115.700 0.002 0.000 2.652 204 S HA 0.826 5.297 4.470 0.002 0.000 0.270 204 S C 0.777 175.378 174.600 0.002 0.000 1.243 204 S CA 0.379 58.580 58.200 0.001 0.000 0.999 204 S CB 1.920 65.121 63.200 0.001 0.000 0.973 204 S HN 1.905 nan 8.310 nan 0.000 0.544 205 A N 1.558 124.379 122.820 0.002 0.000 2.466 205 A HA 0.257 4.578 4.320 0.002 0.000 0.238 205 A C 0.528 178.113 177.584 0.003 0.000 1.074 205 A CA -0.393 51.645 52.037 0.002 0.000 0.774 205 A CB -0.365 18.635 19.000 0.001 0.000 1.015 205 A HN 0.841 nan 8.150 nan 0.000 0.498 206 N N 1.183 119.885 118.700 0.003 0.000 2.500 206 N HA 0.153 4.894 4.740 0.002 0.000 0.236 206 N C 0.332 175.845 175.510 0.005 0.000 1.022 206 N CA 0.465 53.518 53.050 0.004 0.000 0.935 206 N CB 0.701 39.191 38.487 0.005 0.000 1.147 206 N HN 0.650 nan 8.380 nan 0.000 0.512 207 T N 1.297 115.854 114.554 0.006 0.000 3.248 207 T HA 0.179 4.530 4.350 0.002 0.000 0.271 207 T C 0.627 175.332 174.700 0.009 0.000 1.005 207 T CA -0.549 61.555 62.100 0.007 0.000 0.902 207 T CB -0.342 68.529 68.868 0.005 0.000 1.102 207 T HN 0.256 nan 8.240 nan 0.000 0.548 208 L N 2.174 123.403 121.223 0.010 0.000 2.453 208 L HA 0.505 4.846 4.340 0.002 0.000 0.272 208 L C -0.650 176.231 176.870 0.018 0.000 1.182 208 L CA 0.205 55.052 54.840 0.012 0.000 0.858 208 L CB 0.778 42.844 42.059 0.011 0.000 1.120 208 L HN 0.165 nan 8.230 nan 0.000 0.474 209 V N 6.863 126.789 119.914 0.019 0.000 2.577 209 V HA 0.425 4.546 4.120 0.002 0.000 0.303 209 V C -0.259 175.850 176.094 0.026 0.000 1.042 209 V CA -0.433 61.884 62.300 0.029 0.000 0.872 209 V CB 1.808 33.648 31.823 0.029 0.000 0.998 209 V HN 0.571 nan 8.190 nan 0.000 0.423 210 I N 4.410 125.002 120.570 0.036 0.000 2.359 210 I HA 0.506 4.677 4.170 0.002 0.000 0.284 210 I C -0.724 175.400 176.117 0.013 0.000 1.018 210 I CA -0.088 61.224 61.300 0.020 0.000 1.173 210 I CB 1.515 39.526 38.000 0.020 0.000 1.326 210 I HN 0.646 nan 8.210 nan 0.000 0.462 211 D N 5.068 125.458 120.400 -0.017 0.000 2.547 211 D HA 0.420 5.061 4.640 0.002 0.000 0.231 211 D C -0.726 175.526 176.300 -0.080 0.000 1.099 211 D CA -0.794 53.171 54.000 -0.058 0.000 0.901 211 D CB 2.000 42.784 40.800 -0.027 0.000 1.478 211 D HN 0.392 nan 8.370 nan 0.000 0.471 212 R N 2.541 122.967 120.500 -0.124 0.000 2.310 212 R HA 0.475 4.816 4.340 0.002 0.000 0.316 212 R C -2.527 173.722 176.300 -0.086 0.000 1.004 212 R CA -1.780 54.259 56.100 -0.101 0.000 0.900 212 R CB 1.124 31.354 30.300 -0.117 0.000 1.152 212 R HN 0.251 nan 8.270 nan 0.000 0.513 213 P HA -0.169 nan 4.420 nan 0.000 0.263 213 P C -0.243 177.035 177.300 -0.037 0.000 1.175 213 P CA 0.004 63.080 63.100 -0.041 0.000 0.761 213 P CB 0.640 32.321 31.700 -0.032 0.000 0.794 214 V N 3.959 123.858 119.914 -0.025 0.000 2.901 214 V HA 0.214 4.335 4.120 0.002 0.000 0.307 214 V C 1.482 177.573 176.094 -0.005 0.000 1.084 214 V CA 1.700 63.994 62.300 -0.010 0.000 1.184 214 V CB -0.226 31.601 31.823 0.007 0.000 0.941 214 V HN 0.989 nan 8.190 nan 0.000 0.493 215 G N 3.683 112.485 108.800 0.004 0.000 2.203 215 G HA2 -0.225 3.736 3.960 0.002 0.000 0.263 215 G HA3 -0.225 3.736 3.960 0.002 0.000 0.263 215 G C 0.261 175.156 174.900 -0.009 0.000 1.012 215 G CA 0.971 46.074 45.100 0.005 0.000 0.749 215 G HN 1.749 nan 8.290 nan 0.000 0.512 216 T N -3.712 110.830 114.554 -0.020 0.000 2.883 216 T HA 0.628 4.979 4.350 0.002 0.000 0.296 216 T C -0.117 174.554 174.700 -0.049 0.000 1.117 216 T CA -0.192 61.886 62.100 -0.036 0.000 1.006 216 T CB 2.094 70.938 68.868 -0.040 0.000 1.191 216 T HN 0.208 nan 8.240 nan 0.000 0.508 217 N N 0.195 118.849 118.700 -0.078 0.000 2.467 217 N HA 0.307 5.048 4.740 0.002 0.000 0.278 217 N C -0.916 174.519 175.510 -0.124 0.000 1.306 217 N CA -0.308 52.675 53.050 -0.112 0.000 0.905 217 N CB 0.458 38.831 38.487 -0.190 0.000 1.236 217 N HN 0.706 nan 8.380 nan 0.000 0.509 218 T N 0.619 115.121 114.554 -0.086 0.000 2.823 218 T HA 0.400 4.751 4.350 0.002 0.000 0.279 218 T C -0.167 174.497 174.700 -0.061 0.000 0.998 218 T CA -0.490 61.565 62.100 -0.075 0.000 0.994 218 T CB 1.347 70.179 68.868 -0.061 0.000 0.960 218 T HN -0.034 nan 8.240 nan 0.000 0.448 219 I N 3.133 123.672 120.570 -0.053 0.000 2.307 219 I HA 0.396 4.567 4.170 0.002 0.000 0.287 219 I C 0.519 176.615 176.117 -0.035 0.000 1.054 219 I CA -0.823 60.451 61.300 -0.044 0.000 1.218 219 I CB 0.227 38.207 38.000 -0.034 0.000 1.398 219 I HN 0.700 nan 8.210 nan 0.000 0.475 220 A N 7.373 130.172 122.820 -0.034 0.000 2.276 220 A HA 0.621 4.942 4.320 0.002 0.000 0.300 220 A C -0.240 177.334 177.584 -0.016 0.000 1.235 220 A CA -0.381 51.642 52.037 -0.024 0.000 0.867 220 A CB 0.585 19.571 19.000 -0.024 0.000 1.137 220 A HN 0.425 nan 8.150 nan 0.000 0.527 221 V N 3.380 123.288 119.914 -0.011 0.000 2.417 221 V HA 0.719 4.840 4.120 0.002 0.000 0.291 221 V C 0.418 176.510 176.094 -0.002 0.000 1.024 221 V CA 0.101 62.398 62.300 -0.004 0.000 0.861 221 V CB 1.365 33.187 31.823 -0.003 0.000 0.985 221 V HN 1.141 nan 8.190 nan 0.000 0.436 222 T N 0.883 115.438 114.554 0.002 0.000 2.841 222 T HA 0.947 5.298 4.350 0.002 0.000 0.296 222 T C -0.005 174.698 174.700 0.005 0.000 1.166 222 T CA -0.044 62.057 62.100 0.002 0.000 1.007 222 T CB 1.916 70.785 68.868 0.001 0.000 1.253 222 T HN 1.937 nan 8.240 nan 0.000 0.511 223 G N 0.282 109.084 108.800 0.004 0.000 2.447 223 G HA2 0.308 4.269 3.960 0.002 0.000 0.220 223 G HA3 0.308 4.269 3.960 0.002 0.000 0.220 223 G C -0.519 174.383 174.900 0.004 0.000 1.261 223 G CA -0.172 44.931 45.100 0.005 0.000 1.000 223 G HN 1.650 nan 8.290 nan 0.000 0.515 224 S N -1.154 114.549 115.700 0.004 0.000 2.538 224 S HA 0.684 5.155 4.470 0.002 0.000 0.288 224 S C -1.186 173.417 174.600 0.004 0.000 1.108 224 S CA -0.419 57.783 58.200 0.004 0.000 0.971 224 S CB 1.414 64.615 63.200 0.003 0.000 1.041 224 S HN 1.657 nan 8.310 nan 0.000 0.483 225 L N 6.680 127.906 121.223 0.004 0.000 2.325 225 L HA 0.697 5.038 4.340 0.002 0.000 0.281 225 L C -2.428 174.445 176.870 0.004 0.000 1.004 225 L CA -1.950 52.893 54.840 0.005 0.000 0.823 225 L CB 1.758 43.821 42.059 0.005 0.000 1.236 225 L HN 0.429 nan 8.230 nan 0.000 0.415 226 P HA 0.081 nan 4.420 nan 0.000 0.271 226 P C 0.095 177.397 177.300 0.003 0.000 1.216 226 P CA -0.073 63.029 63.100 0.003 0.000 0.776 226 P CB 1.096 32.797 31.700 0.003 0.000 0.881 227 A N 4.360 127.182 122.820 0.003 0.000 1.892 227 A HA -0.246 4.075 4.320 0.002 0.000 0.218 227 A C 1.559 179.145 177.584 0.003 0.000 1.188 227 A CA 2.408 54.447 52.037 0.003 0.000 0.631 227 A CB -1.502 17.499 19.000 0.002 0.000 0.822 227 A HN 0.628 nan 8.150 nan 0.000 0.447 228 D N 0.351 120.753 120.400 0.003 0.000 2.371 228 D HA 0.263 4.904 4.640 0.002 0.000 0.221 228 D C 0.829 177.132 176.300 0.004 0.000 0.986 228 D CA 0.581 54.583 54.000 0.003 0.000 0.899 228 D CB -0.810 39.991 40.800 0.003 0.000 0.902 228 D HN 0.496 nan 8.370 nan 0.000 0.530 229 A N 0.260 123.082 122.820 0.004 0.000 2.483 229 A HA 0.492 4.813 4.320 0.002 0.000 0.238 229 A C 0.624 178.211 177.584 0.005 0.000 1.070 229 A CA 0.037 52.077 52.037 0.004 0.000 0.770 229 A CB 0.123 19.125 19.000 0.005 0.000 1.008 229 A HN 0.387 nan 8.150 nan 0.000 0.497 230 A N 2.942 125.765 122.820 0.006 0.000 2.302 230 A HA 0.646 4.967 4.320 0.002 0.000 0.285 230 A C -2.234 175.355 177.584 0.007 0.000 1.105 230 A CA -1.556 50.485 52.037 0.006 0.000 0.816 230 A CB -0.532 18.472 19.000 0.006 0.000 1.067 230 A HN 0.685 nan 8.150 nan 0.000 0.489 231 P HA 0.115 nan 4.420 nan 0.000 0.263 231 P C -0.682 176.624 177.300 0.010 0.000 1.168 231 P CA 0.215 63.321 63.100 0.010 0.000 0.759 231 P CB 0.288 31.995 31.700 0.011 0.000 0.782 232 V N 4.352 124.272 119.914 0.010 0.000 2.509 232 V HA 0.330 4.451 4.120 0.002 0.000 0.284 232 V C 0.343 176.444 176.094 0.011 0.000 1.047 232 V CA 0.206 62.512 62.300 0.010 0.000 0.952 232 V CB 1.510 33.340 31.823 0.011 0.000 0.988 232 V HN 0.543 nan 8.190 nan 0.000 0.469 233 T N 4.262 118.823 114.554 0.011 0.000 2.890 233 T HA 0.748 5.099 4.350 0.002 0.000 0.295 233 T C -0.316 174.386 174.700 0.003 0.000 0.993 233 T CA -0.329 61.776 62.100 0.009 0.000 0.979 233 T CB 1.537 70.413 68.868 0.014 0.000 0.967 233 T HN 0.917 nan 8.240 nan 0.000 0.441 234 A N 3.268 126.086 122.820 -0.003 0.000 2.413 234 A HA 0.868 5.189 4.320 0.002 0.000 0.307 234 A C -0.934 176.628 177.584 -0.037 0.000 1.087 234 A CA -0.801 51.233 52.037 -0.004 0.000 0.750 234 A CB 1.171 20.184 19.000 0.023 0.000 1.296 234 A HN 0.823 nan 8.150 nan 0.000 0.423 235 L N 2.601 123.797 121.223 -0.044 0.000 2.264 235 L HA 0.500 4.841 4.340 0.002 0.000 0.289 235 L C -0.120 176.721 176.870 -0.049 0.000 1.044 235 L CA -0.576 54.207 54.840 -0.094 0.000 0.807 235 L CB 0.795 42.781 42.059 -0.123 0.000 1.192 235 L HN 0.651 nan 8.230 nan 0.000 0.425 236 R N 1.248 121.707 120.500 -0.067 0.000 2.807 236 R HA 0.494 4.835 4.340 0.002 0.000 0.276 236 R C -0.275 175.981 176.300 -0.073 0.000 0.979 236 R CA -0.661 55.389 56.100 -0.083 0.000 0.928 236 R CB 2.241 32.494 30.300 -0.078 0.000 1.191 236 R HN 0.640 nan 8.270 nan 0.000 0.471 237 T N -1.859 112.639 114.554 -0.094 0.000 2.874 237 T HA 0.564 4.915 4.350 0.002 0.000 0.281 237 T C 0.712 175.407 174.700 -0.010 0.000 0.994 237 T CA -0.633 61.440 62.100 -0.044 0.000 1.015 237 T CB 1.068 69.905 68.868 -0.053 0.000 1.028 237 T HN 0.357 nan 8.240 nan 0.000 0.523 238 V N -1.428 118.514 119.914 0.047 0.000 3.158 238 V HA 0.713 4.834 4.120 0.002 0.000 0.315 238 V C -0.702 175.459 176.094 0.112 0.000 1.148 238 V CA -1.274 61.087 62.300 0.101 0.000 1.042 238 V CB 1.561 33.521 31.823 0.228 0.000 1.101 238 V HN 0.968 nan 8.190 nan 0.000 0.448 239 D N 0.884 121.363 120.400 0.131 0.000 2.225 239 D HA 0.368 5.009 4.640 0.002 0.000 0.248 239 D C -0.427 175.983 176.300 0.184 0.000 1.096 239 D CA 0.435 54.504 54.000 0.116 0.000 0.863 239 D CB 0.470 41.304 40.800 0.057 0.000 1.156 239 D HN 0.775 nan 8.370 nan 0.000 0.450 240 E N 2.746 123.032 120.200 0.142 0.000 3.117 240 E HA -0.128 4.223 4.350 0.002 0.000 0.156 240 E C -1.999 174.669 176.600 0.112 0.000 1.699 240 E CA 0.041 56.522 56.400 0.135 0.000 0.728 240 E CB -0.885 28.907 29.700 0.154 0.000 1.091 240 E HN 0.506 nan 8.360 nan 0.000 0.369 241 P HA -0.205 nan 4.420 nan 0.000 0.217 241 P C 1.376 178.676 177.300 0.001 0.000 1.148 241 P CA 2.231 65.360 63.100 0.048 0.000 0.828 241 P CB 0.214 31.958 31.700 0.074 0.000 0.783 242 A N 0.066 122.900 122.820 0.023 0.000 1.902 242 A HA -0.118 4.203 4.320 0.002 0.000 0.217 242 A C 2.330 179.898 177.584 -0.026 0.000 1.181 242 A CA 2.035 54.075 52.037 0.005 0.000 0.623 242 A CB -1.614 17.406 19.000 0.033 0.000 0.818 242 A HN 0.197 nan 8.150 nan 0.000 0.443 243 A N -0.671 122.142 122.820 -0.012 0.000 1.978 243 A HA -0.049 4.272 4.320 0.002 0.000 0.220 243 A C 2.112 179.518 177.584 -0.296 0.000 1.170 243 A CA 1.778 53.798 52.037 -0.029 0.000 0.636 243 A CB -0.511 18.586 19.000 0.162 0.000 0.810 243 A HN 0.676 nan 8.150 nan 0.000 0.448 244 L N -0.497 120.429 121.223 -0.494 0.000 2.072 244 L HA 0.088 4.429 4.340 0.002 0.000 0.205 244 L C 2.632 179.381 176.870 -0.201 0.000 1.079 244 L CA 2.030 56.476 54.840 -0.657 0.000 0.752 244 L CB -0.852 40.911 42.059 -0.493 0.000 0.906 244 L HN 0.301 nan 8.230 nan 0.000 0.436 245 A N -0.499 122.258 122.820 -0.105 0.000 1.978 245 A HA -0.090 4.231 4.320 0.002 0.000 0.220 245 A C 2.279 179.872 177.584 0.015 0.000 1.170 245 A CA 1.597 53.618 52.037 -0.026 0.000 0.636 245 A CB -1.480 17.500 19.000 -0.034 0.000 0.810 245 A HN 0.543 nan 8.150 nan 0.000 0.448 246 G N -1.564 107.235 108.800 -0.001 0.000 2.396 246 G HA2 -0.178 3.783 3.960 0.002 0.000 0.214 246 G HA3 -0.178 3.783 3.960 0.002 0.000 0.214 246 G C 1.446 176.397 174.900 0.086 0.000 1.166 246 G CA 1.204 46.336 45.100 0.053 0.000 0.793 246 G HN 0.747 nan 8.290 nan 0.000 0.533 247 H N 0.564 119.593 119.070 -0.068 0.000 2.319 247 H HA 0.062 4.619 4.556 0.002 0.000 0.299 247 H C 2.459 177.782 175.328 -0.009 0.000 1.092 247 H CA 1.522 57.541 56.048 -0.049 0.000 1.302 247 H CB -0.265 29.413 29.762 -0.140 0.000 1.373 247 H HN 0.259 nan 8.280 nan 0.000 0.497 248 L N -1.070 120.151 121.223 -0.002 0.000 2.083 248 L HA -0.140 4.201 4.340 0.002 0.000 0.209 248 L C 2.195 179.069 176.870 0.008 0.000 1.083 248 L CA 1.096 55.925 54.840 -0.020 0.000 0.752 248 L CB -0.477 41.619 42.059 0.061 0.000 0.899 248 L HN 0.273 nan 8.230 nan 0.000 0.433 249 F N 0.907 120.804 119.950 -0.087 0.000 2.146 249 F HA -0.214 4.314 4.527 0.002 0.000 0.298 249 F C 2.631 178.379 175.800 -0.086 0.000 1.096 249 F CA 1.602 59.560 58.000 -0.070 0.000 1.275 249 F CB -0.239 38.732 39.000 -0.047 0.000 1.008 249 F HN 0.107 nan 8.300 nan 0.000 0.480 250 E N 0.415 120.557 120.200 -0.096 0.000 2.333 250 E HA -0.201 4.150 4.350 0.002 0.000 0.198 250 E C 1.622 178.083 176.600 -0.231 0.000 1.007 250 E CA 1.281 57.573 56.400 -0.179 0.000 0.845 250 E CB -0.116 29.519 29.700 -0.109 0.000 0.766 250 E HN 0.624 nan 8.360 nan 0.000 0.507 251 E N -0.380 119.675 120.200 -0.243 0.000 2.190 251 E HA 0.020 4.371 4.350 0.002 0.000 0.191 251 E C 1.928 178.414 176.600 -0.189 0.000 0.978 251 E CA 0.551 56.824 56.400 -0.212 0.000 0.839 251 E CB 0.111 29.680 29.700 -0.219 0.000 0.787 251 E HN 0.242 nan 8.360 nan 0.000 0.473 252 A N 1.344 124.030 122.820 -0.224 0.000 1.968 252 A HA -0.050 4.271 4.320 0.002 0.000 0.217 252 A C 2.158 179.567 177.584 -0.292 0.000 1.169 252 A CA 0.632 52.539 52.037 -0.217 0.000 0.638 252 A CB -0.414 18.476 19.000 -0.184 0.000 0.812 252 A HN 0.094 nan 8.150 nan 0.000 0.446 253 L N -0.799 120.165 121.223 -0.431 0.000 2.056 253 L HA -0.172 4.169 4.340 0.002 0.000 0.207 253 L C 2.466 179.208 176.870 -0.214 0.000 1.078 253 L CA 1.531 56.143 54.840 -0.380 0.000 0.749 253 L CB -0.457 41.338 42.059 -0.440 0.000 0.901 253 L HN 0.442 nan 8.230 nan 0.000 0.433 254 E N -0.648 119.442 120.200 -0.183 0.000 2.268 254 E HA -0.126 4.225 4.350 0.002 0.000 0.195 254 E C 2.112 178.652 176.600 -0.100 0.000 0.995 254 E CA 0.840 57.167 56.400 -0.122 0.000 0.836 254 E CB 0.134 29.770 29.700 -0.107 0.000 0.763 254 E HN 0.315 nan 8.360 nan 0.000 0.491 255 S N 0.719 116.352 115.700 -0.110 0.000 2.489 255 S HA 0.038 4.509 4.470 0.002 0.000 0.228 255 S C 1.036 175.591 174.600 -0.076 0.000 0.995 255 S CA 0.308 58.458 58.200 -0.083 0.000 0.934 255 S CB 0.135 63.286 63.200 -0.080 0.000 0.771 255 S HN 0.244 nan 8.310 nan 0.000 0.522 256 N N 0.344 118.988 118.700 -0.093 0.000 2.328 256 N HA 0.230 4.971 4.740 0.002 0.000 0.247 256 N C 1.080 176.550 175.510 -0.067 0.000 1.165 256 N CA 0.620 53.624 53.050 -0.077 0.000 0.873 256 N CB 1.154 39.588 38.487 -0.088 0.000 1.125 256 N HN 0.447 nan 8.380 nan 0.000 0.513 257 G N 0.117 108.878 108.800 -0.064 0.000 2.336 257 G HA2 -0.318 3.643 3.960 0.002 0.000 0.233 257 G HA3 -0.318 3.643 3.960 0.002 0.000 0.233 257 G C 0.214 175.080 174.900 -0.057 0.000 1.053 257 G CA 0.151 45.220 45.100 -0.052 0.000 0.625 257 G HN 0.205 nan 8.290 nan 0.000 0.511 258 V N 2.514 122.384 119.914 -0.073 0.000 2.617 258 V HA 0.405 4.526 4.120 0.002 0.000 0.304 258 V C 0.781 176.830 176.094 -0.075 0.000 1.040 258 V CA 1.215 63.471 62.300 -0.073 0.000 1.149 258 V CB 1.073 32.836 31.823 -0.099 0.000 0.914 258 V HN 0.409 nan 8.190 nan 0.000 0.487 259 T N 4.953 119.476 114.554 -0.053 0.000 2.779 259 T HA 0.433 4.784 4.350 0.002 0.000 0.280 259 T C -0.220 174.456 174.700 -0.041 0.000 0.987 259 T CA -0.366 61.706 62.100 -0.048 0.000 0.966 259 T CB 1.451 70.299 68.868 -0.034 0.000 0.933 259 T HN 0.379 nan 8.240 nan 0.000 0.442 260 V N 5.682 125.567 119.914 -0.048 0.000 2.334 260 V HA 0.213 4.334 4.120 0.002 0.000 0.267 260 V C 1.208 177.285 176.094 -0.028 0.000 1.040 260 V CA -0.573 61.703 62.300 -0.039 0.000 0.866 260 V CB 0.871 32.662 31.823 -0.054 0.000 1.019 260 V HN 0.756 nan 8.190 nan 0.000 0.468 261 K N 3.131 123.522 120.400 -0.016 0.000 2.296 261 K HA 0.111 4.432 4.320 0.002 0.000 0.200 261 K C 1.243 177.837 176.600 -0.010 0.000 1.048 261 K CA 0.683 56.965 56.287 -0.009 0.000 0.966 261 K CB 0.231 32.731 32.500 0.000 0.000 0.754 261 K HN 0.727 nan 8.250 nan 0.000 0.466 262 G N 0.764 109.555 108.800 -0.016 0.000 2.714 262 G HA2 0.167 4.128 3.960 0.002 0.000 0.197 262 G HA3 0.167 4.128 3.960 0.002 0.000 0.197 262 G C -0.429 174.442 174.900 -0.049 0.000 1.449 262 G CA -0.361 44.723 45.100 -0.026 0.000 1.065 262 G HN -0.006 nan 8.290 nan 0.000 0.575 263 D N -1.543 118.805 120.400 -0.087 0.000 2.450 263 D HA 0.507 5.148 4.640 0.002 0.000 0.238 263 D C -0.612 175.585 176.300 -0.171 0.000 1.020 263 D CA -0.257 53.686 54.000 -0.095 0.000 1.010 263 D CB 2.257 43.013 40.800 -0.074 0.000 1.342 263 D HN 0.090 nan 8.370 nan 0.000 0.530 264 V N -0.111 119.733 119.914 -0.116 0.000 2.532 264 V HA 0.821 4.942 4.120 0.002 0.000 0.295 264 V C 0.702 176.714 176.094 -0.137 0.000 1.041 264 V CA -0.193 62.027 62.300 -0.134 0.000 0.926 264 V CB 1.407 33.223 31.823 -0.010 0.000 0.992 264 V HN 0.798 nan 8.190 nan 0.000 0.457 265 G N 2.796 111.476 108.800 -0.199 0.000 2.548 265 G HA2 0.565 4.526 3.960 0.002 0.000 0.301 265 G HA3 0.565 4.526 3.960 0.002 0.000 0.301 265 G C -1.835 173.072 174.900 0.012 0.000 1.349 265 G CA -0.904 44.143 45.100 -0.088 0.000 0.792 265 G HN 0.570 nan 8.290 nan 0.000 0.481 266 L N 0.173 121.462 121.223 0.111 0.000 2.343 266 L HA 0.786 5.127 4.340 0.002 0.000 0.275 266 L C 0.681 177.710 176.870 0.263 0.000 1.056 266 L CA -0.091 54.844 54.840 0.158 0.000 0.804 266 L CB 1.716 43.843 42.059 0.114 0.000 1.203 266 L HN 1.135 nan 8.230 nan 0.000 0.440 267 G N 0.981 109.918 108.800 0.229 0.000 2.341 267 G HA2 0.409 4.370 3.960 0.002 0.000 0.300 267 G HA3 0.409 4.370 3.960 0.002 0.000 0.300 267 G C -0.954 174.048 174.900 0.171 0.000 1.706 267 G CA -0.341 44.856 45.100 0.162 0.000 0.916 267 G HN 0.832 nan 8.290 nan 0.000 0.716 268 G N -0.675 108.161 108.800 0.060 0.000 2.502 268 G HA2 0.641 4.602 3.960 0.002 0.000 0.305 268 G HA3 0.641 4.602 3.960 0.002 0.000 0.305 268 G C 0.333 175.075 174.900 -0.263 0.000 1.190 268 G CA -0.473 44.624 45.100 -0.005 0.000 0.933 268 G HN 1.263 nan 8.290 nan 0.000 0.503 269 V N 1.920 121.523 119.914 -0.517 0.000 2.617 269 V HA -0.009 4.112 4.120 0.002 0.000 0.304 269 V C -0.780 174.789 176.094 -0.875 0.000 1.040 269 V CA -0.311 61.324 62.300 -1.109 0.000 1.149 269 V CB 1.241 32.603 31.823 -0.769 0.000 0.914 269 V HN 0.638 nan 8.190 nan 0.000 0.487 270 P HA -0.216 nan 4.420 nan 0.000 0.218 270 P C 1.164 178.206 177.300 -0.431 0.000 1.146 270 P CA 1.763 64.439 63.100 -0.706 0.000 0.820 270 P CB 0.025 31.235 31.700 -0.818 0.000 0.778 271 A N -1.199 121.364 122.820 -0.429 0.000 3.930 271 A HA -0.316 4.005 4.320 0.002 0.000 0.267 271 A C 1.593 179.127 177.584 -0.084 0.000 0.971 271 A CA 1.766 53.690 52.037 -0.190 0.000 1.197 271 A CB -2.705 16.209 19.000 -0.142 0.000 1.073 271 A HN 0.370 nan 8.150 nan 0.000 0.871 272 D N -1.775 118.567 120.400 -0.096 0.000 2.349 272 D HA 0.073 4.714 4.640 0.002 0.000 0.224 272 D C 0.041 176.478 176.300 0.228 0.000 1.029 272 D CA 0.177 54.203 54.000 0.044 0.000 0.879 272 D CB -0.136 40.687 40.800 0.038 0.000 0.906 272 D HN 0.526 nan 8.370 nan 0.000 0.528 273 W N 2.348 123.602 121.300 -0.077 0.000 2.416 273 W HA 0.256 4.917 4.660 0.001 0.000 0.318 273 W C 1.266 177.754 176.519 -0.050 0.000 1.150 273 W CA -0.973 56.331 57.345 -0.069 0.000 1.392 273 W CB 0.597 29.997 29.460 -0.101 0.000 1.311 273 W HN -0.013 nan 8.180 nan 0.000 0.436 274 Q N 0.927 120.813 119.800 0.142 0.000 2.152 274 Q HA -0.181 4.160 4.340 0.002 0.000 0.206 274 Q C -0.059 175.974 176.000 0.055 0.000 0.985 274 Q CA 1.500 57.344 55.803 0.069 0.000 0.863 274 Q CB 0.078 28.833 28.738 0.028 0.000 0.904 274 Q HN 0.367 nan 8.270 nan 0.000 0.422 275 D N -1.243 119.182 120.400 0.041 0.000 2.478 275 D HA 0.433 5.074 4.640 0.002 0.000 0.240 275 D C -1.595 174.712 176.300 0.012 0.000 1.364 275 D CA -0.185 53.829 54.000 0.023 0.000 0.987 275 D CB 1.084 41.877 40.800 -0.012 0.000 1.328 275 D HN 0.093 nan 8.370 nan 0.000 0.584 276 A N 2.994 125.868 122.820 0.089 0.000 2.363 276 A HA 0.525 4.846 4.320 0.002 0.000 0.270 276 A C 0.117 177.728 177.584 0.045 0.000 1.121 276 A CA -0.370 51.746 52.037 0.132 0.000 0.800 276 A CB 0.752 19.908 19.000 0.261 0.000 1.052 276 A HN 0.440 nan 8.150 nan 0.000 0.493 277 E N 2.081 122.286 120.200 0.008 0.000 2.055 277 E HA 0.415 4.766 4.350 0.002 0.000 0.274 277 E C -1.093 175.533 176.600 0.044 0.000 0.949 277 E CA -0.320 56.082 56.400 0.002 0.000 0.775 277 E CB 0.946 30.621 29.700 -0.041 0.000 1.097 277 E HN 0.300 nan 8.360 nan 0.000 0.404 278 V N 7.840 127.777 119.914 0.040 0.000 2.341 278 V HA 0.004 4.125 4.120 0.002 0.000 0.248 278 V C 1.347 177.466 176.094 0.041 0.000 1.107 278 V CA 0.265 62.592 62.300 0.044 0.000 1.069 278 V CB -0.261 31.575 31.823 0.022 0.000 1.177 278 V HN 0.819 nan 8.190 nan 0.000 0.492 279 L N 3.351 124.611 121.223 0.061 0.000 2.156 279 L HA 0.234 4.576 4.340 0.002 0.000 0.208 279 L C 1.087 177.994 176.870 0.062 0.000 1.095 279 L CA 1.212 56.087 54.840 0.060 0.000 0.770 279 L CB -0.208 41.899 42.059 0.081 0.000 0.914 279 L HN 0.704 nan 8.230 nan 0.000 0.439 280 A N 0.130 122.992 122.820 0.071 0.000 2.574 280 A HA 0.586 4.907 4.320 0.002 0.000 0.297 280 A C -1.792 175.817 177.584 0.042 0.000 1.062 280 A CA -0.542 51.535 52.037 0.068 0.000 0.686 280 A CB 1.583 20.650 19.000 0.112 0.000 1.285 280 A HN 0.236 nan 8.150 nan 0.000 0.403 281 D N -0.576 119.847 120.400 0.039 0.000 2.609 281 D HA 0.615 5.256 4.640 0.002 0.000 0.239 281 D C -0.939 175.412 176.300 0.086 0.000 1.229 281 D CA -0.330 53.685 54.000 0.025 0.000 0.808 281 D CB 1.071 41.864 40.800 -0.011 0.000 1.448 281 D HN 0.671 nan 8.370 nan 0.000 0.433 282 H N -1.004 118.029 119.070 -0.062 0.000 2.928 282 H HA 0.783 5.340 4.556 0.002 0.000 0.371 282 H C -1.451 173.832 175.328 -0.075 0.000 1.186 282 H CA -0.408 55.607 56.048 -0.054 0.000 1.134 282 H CB 2.469 32.204 29.762 -0.045 0.000 1.824 282 H HN 0.407 nan 8.280 nan 0.000 0.554 283 T N 2.411 116.549 114.554 -0.693 0.000 2.881 283 T HA 0.381 4.732 4.350 0.002 0.000 0.290 283 T C -0.436 173.847 174.700 -0.695 0.000 1.000 283 T CA -0.560 61.212 62.100 -0.548 0.000 0.978 283 T CB 0.880 69.579 68.868 -0.283 0.000 0.997 283 T HN 0.755 nan 8.240 nan 0.000 0.443 284 S N 2.557 117.997 115.700 -0.433 0.000 2.617 284 S HA 0.748 5.219 4.470 0.002 0.000 0.259 284 S C 0.757 175.263 174.600 -0.157 0.000 1.301 284 S CA -0.605 57.443 58.200 -0.253 0.000 0.984 284 S CB 0.490 63.651 63.200 -0.066 0.000 0.954 284 S HN 0.937 nan 8.310 nan 0.000 0.572 285 A N 0.400 123.173 122.820 -0.078 0.000 2.280 285 A HA 0.397 4.718 4.320 0.002 0.000 0.268 285 A C 0.447 178.010 177.584 -0.035 0.000 1.111 285 A CA -0.564 51.451 52.037 -0.035 0.000 0.814 285 A CB -0.475 18.533 19.000 0.013 0.000 1.093 285 A HN 0.919 nan 8.150 nan 0.000 0.498 286 E N -1.137 119.052 120.200 -0.018 0.000 2.428 286 E HA 0.071 4.423 4.350 0.002 0.000 0.257 286 E C 0.861 177.487 176.600 0.045 0.000 1.197 286 E CA -0.333 56.057 56.400 -0.018 0.000 0.974 286 E CB 0.272 29.978 29.700 0.010 0.000 0.976 286 E HN 0.542 nan 8.360 nan 0.000 0.463 287 L N 1.908 123.166 121.223 0.059 0.000 2.093 287 L HA -0.178 4.163 4.340 0.002 0.000 0.208 287 L C 2.028 178.983 176.870 0.142 0.000 1.085 287 L CA 2.019 56.942 54.840 0.139 0.000 0.755 287 L CB -0.566 41.574 42.059 0.135 0.000 0.904 287 L HN 0.596 nan 8.230 nan 0.000 0.435 288 S N -1.390 114.385 115.700 0.125 0.000 2.469 288 S HA -0.107 4.364 4.470 0.002 0.000 0.238 288 S C 1.582 176.274 174.600 0.153 0.000 0.998 288 S CA 0.923 59.211 58.200 0.147 0.000 0.957 288 S CB -0.472 62.812 63.200 0.140 0.000 0.764 288 S HN 0.549 nan 8.310 nan 0.000 0.514 289 E N 1.922 122.205 120.200 0.139 0.000 2.057 289 E HA 0.186 4.537 4.350 0.002 0.000 0.190 289 E C 2.153 178.871 176.600 0.197 0.000 0.969 289 E CA 0.603 57.095 56.400 0.154 0.000 0.812 289 E CB -0.646 29.127 29.700 0.121 0.000 0.777 289 E HN 0.543 nan 8.360 nan 0.000 0.455 290 I N 1.497 122.164 120.570 0.162 0.000 2.423 290 I HA -0.235 3.936 4.170 0.002 0.000 0.254 290 I C 2.517 178.800 176.117 0.277 0.000 1.151 290 I CA 0.738 62.133 61.300 0.160 0.000 1.421 290 I CB -0.325 37.694 38.000 0.030 0.000 1.079 290 I HN 0.010 nan 8.210 nan 0.000 0.431 291 L N 0.224 121.608 121.223 0.269 0.000 2.187 291 L HA -0.216 4.125 4.340 0.002 0.000 0.213 291 L C 2.459 179.509 176.870 0.301 0.000 1.100 291 L CA 1.004 56.050 54.840 0.344 0.000 0.765 291 L CB -0.169 42.047 42.059 0.261 0.000 0.904 291 L HN 0.118 nan 8.230 nan 0.000 0.437 292 V N 0.340 120.412 119.914 0.264 0.000 2.255 292 V HA -0.133 3.988 4.120 0.002 0.000 0.243 292 V C -0.375 175.840 176.094 0.201 0.000 1.038 292 V CA 1.816 64.239 62.300 0.205 0.000 1.008 292 V CB -1.987 29.998 31.823 0.270 0.000 0.645 292 V HN 0.381 nan 8.190 nan 0.000 0.449 293 P HA -0.183 nan 4.420 nan 0.000 0.226 293 P C 1.690 179.273 177.300 0.472 0.000 1.153 293 P CA 1.513 64.923 63.100 0.517 0.000 0.777 293 P CB -0.083 32.095 31.700 0.796 0.000 0.794 294 F N 0.400 120.524 119.950 0.290 0.000 2.118 294 F HA -0.057 4.472 4.527 0.002 0.000 0.293 294 F C 2.121 177.963 175.800 0.069 0.000 1.102 294 F CA 1.044 59.186 58.000 0.236 0.000 1.247 294 F CB -0.203 38.974 39.000 0.295 0.000 1.017 294 F HN -0.312 nan 8.300 nan 0.000 0.475 295 M N 0.289 119.715 119.600 -0.289 0.000 2.388 295 M HA -0.027 4.454 4.480 0.002 0.000 0.265 295 M C 1.800 177.863 176.300 -0.394 0.000 1.088 295 M CA 0.916 55.915 55.300 -0.502 0.000 1.134 295 M CB -0.805 31.547 32.600 -0.413 0.000 1.384 295 M HN 0.072 nan 8.290 nan 0.000 0.447 296 K N 0.173 120.324 120.400 -0.415 0.000 2.062 296 K HA -0.009 4.312 4.320 0.002 0.000 0.205 296 K C 1.419 177.554 176.600 -0.775 0.000 1.051 296 K CA 1.315 57.189 56.287 -0.687 0.000 0.941 296 K CB -0.260 31.605 32.500 -1.058 0.000 0.719 296 K HN 0.296 nan 8.250 nan 0.000 0.440 297 F N 0.588 120.435 119.950 -0.173 0.000 2.653 297 F HA 0.240 4.768 4.527 0.002 0.000 0.304 297 F C 0.526 176.254 175.800 -0.121 0.000 1.092 297 F CA -0.579 57.330 58.000 -0.151 0.000 1.279 297 F CB -0.062 38.843 39.000 -0.159 0.000 1.044 297 F HN -0.211 nan 8.300 nan 0.000 0.564 298 S N 1.549 117.207 115.700 -0.070 0.000 3.477 298 S HA -0.317 4.154 4.470 0.002 0.000 0.426 298 S C 0.053 174.672 174.600 0.032 0.000 0.874 298 S CA 0.131 58.268 58.200 -0.105 0.000 1.341 298 S CB -1.768 61.374 63.200 -0.097 0.000 0.917 298 S HN 0.630 nan 8.310 nan 0.000 0.607 299 N N 2.209 120.990 118.700 0.135 0.000 2.415 299 N HA 0.306 5.047 4.740 0.002 0.000 0.246 299 N C 1.208 176.899 175.510 0.303 0.000 1.078 299 N CA -0.626 52.526 53.050 0.171 0.000 0.942 299 N CB 0.354 38.825 38.487 -0.027 0.000 1.140 299 N HN 0.421 nan 8.380 nan 0.000 0.501 300 N N 2.590 121.417 118.700 0.211 0.000 2.120 300 N HA -0.119 4.622 4.740 0.002 0.000 0.188 300 N C 1.796 177.490 175.510 0.307 0.000 1.024 300 N CA 1.150 54.353 53.050 0.255 0.000 0.852 300 N CB -0.485 38.094 38.487 0.154 0.000 1.003 300 N HN 0.684 nan 8.380 nan 0.000 0.424 301 G N 1.156 110.101 108.800 0.241 0.000 2.491 301 G HA2 -0.288 3.673 3.960 0.002 0.000 0.218 301 G HA3 -0.288 3.673 3.960 0.002 0.000 0.218 301 G C 1.267 176.348 174.900 0.302 0.000 1.180 301 G CA 1.129 46.390 45.100 0.269 0.000 0.774 301 G HN 0.346 nan 8.290 nan 0.000 0.562 302 H N 1.134 120.271 119.070 0.111 0.000 2.265 302 H HA -0.022 4.535 4.556 0.002 0.000 0.295 302 H C 2.948 178.136 175.328 -0.234 0.000 1.084 302 H CA 1.259 57.233 56.048 -0.123 0.000 1.261 302 H CB -1.054 28.577 29.762 -0.218 0.000 1.360 302 H HN 0.364 nan 8.280 nan 0.000 0.487 303 A N 1.470 124.337 122.820 0.077 0.000 1.903 303 A HA -0.256 4.065 4.320 0.002 0.000 0.219 303 A C 2.305 180.008 177.584 0.198 0.000 1.191 303 A CA 2.220 54.371 52.037 0.191 0.000 0.638 303 A CB -0.304 19.032 19.000 0.559 0.000 0.823 303 A HN 0.375 nan 8.150 nan 0.000 0.451 304 E N -0.469 119.905 120.200 0.289 0.000 2.072 304 E HA -0.135 4.216 4.350 0.002 0.000 0.191 304 E C 2.113 178.747 176.600 0.057 0.000 0.985 304 E CA 1.265 57.868 56.400 0.337 0.000 0.801 304 E CB -0.527 29.501 29.700 0.546 0.000 0.750 304 E HN 0.753 nan 8.360 nan 0.000 0.452 305 M N 0.236 119.868 119.600 0.053 0.000 2.159 305 M HA -0.119 4.362 4.480 0.002 0.000 0.263 305 M C 2.377 178.693 176.300 0.027 0.000 1.063 305 M CA 1.154 56.480 55.300 0.044 0.000 1.110 305 M CB -0.312 32.340 32.600 0.088 0.000 1.374 305 M HN 0.056 nan 8.290 nan 0.000 0.411 306 L N -0.710 120.496 121.223 -0.027 0.000 2.046 306 L HA -0.185 4.156 4.340 0.002 0.000 0.208 306 L C 2.438 179.327 176.870 0.032 0.000 1.077 306 L CA 0.882 55.730 54.840 0.013 0.000 0.747 306 L CB -0.714 41.307 42.059 -0.062 0.000 0.896 306 L HN 0.122 nan 8.230 nan 0.000 0.432 307 V N 0.018 119.935 119.914 0.006 0.000 2.332 307 V HA -0.303 3.818 4.120 0.002 0.000 0.248 307 V C 2.431 178.439 176.094 -0.143 0.000 1.055 307 V CA 1.788 64.086 62.300 -0.003 0.000 1.038 307 V CB -0.574 31.312 31.823 0.104 0.000 0.651 307 V HN 0.441 nan 8.190 nan 0.000 0.450 308 K N -0.150 120.013 120.400 -0.394 0.000 2.217 308 K HA -0.055 4.266 4.320 0.002 0.000 0.202 308 K C 2.316 178.730 176.600 -0.310 0.000 1.051 308 K CA 1.342 57.192 56.287 -0.728 0.000 0.952 308 K CB -0.184 31.255 32.500 -1.768 0.000 0.736 308 K HN 0.391 nan 8.250 nan 0.000 0.453 309 S N 1.268 117.022 115.700 0.090 0.000 2.436 309 S HA 0.036 4.508 4.470 0.002 0.000 0.228 309 S C 1.892 176.597 174.600 0.175 0.000 1.014 309 S CA 0.600 59.049 58.200 0.414 0.000 0.950 309 S CB -0.025 63.506 63.200 0.552 0.000 0.784 309 S HN 0.207 nan 8.310 nan 0.000 0.504 310 I N 1.391 121.999 120.570 0.063 0.000 2.353 310 I HA -0.072 4.100 4.170 0.002 0.000 0.248 310 I C 2.648 178.750 176.117 -0.025 0.000 1.119 310 I CA 0.894 62.201 61.300 0.012 0.000 1.417 310 I CB -0.738 37.267 38.000 0.008 0.000 1.078 310 I HN 0.354 nan 8.210 nan 0.000 0.421 311 G N 0.212 108.973 108.800 -0.065 0.000 2.442 311 G HA2 -0.241 3.720 3.960 0.002 0.000 0.219 311 G HA3 -0.241 3.720 3.960 0.002 0.000 0.219 311 G C 1.596 176.429 174.900 -0.111 0.000 1.141 311 G CA 0.446 45.485 45.100 -0.101 0.000 0.763 311 G HN 0.287 nan 8.290 nan 0.000 0.554 312 Q N -0.002 119.731 119.800 -0.112 0.000 2.016 312 Q HA -0.070 4.271 4.340 0.002 0.000 0.200 312 Q C 2.471 178.422 176.000 -0.081 0.000 0.978 312 Q CA 1.516 57.211 55.803 -0.179 0.000 0.833 312 Q CB -0.435 28.151 28.738 -0.254 0.000 0.895 312 Q HN 0.543 nan 8.270 nan 0.000 0.427 313 E N -0.007 120.184 120.200 -0.016 0.000 2.118 313 E HA -0.131 4.220 4.350 0.002 0.000 0.195 313 E C 1.757 178.341 176.600 -0.027 0.000 0.992 313 E CA 1.807 58.199 56.400 -0.013 0.000 0.804 313 E CB 0.007 29.680 29.700 -0.044 0.000 0.741 313 E HN 0.253 nan 8.360 nan 0.000 0.458 314 T N -1.026 113.506 114.554 -0.036 0.000 2.755 314 T HA 0.161 4.512 4.350 0.002 0.000 0.251 314 T C 1.282 175.959 174.700 -0.038 0.000 1.044 314 T CA 1.246 63.326 62.100 -0.032 0.000 1.154 314 T CB -0.075 68.776 68.868 -0.028 0.000 0.866 314 T HN 0.230 nan 8.240 nan 0.000 0.416 315 A N -0.012 122.775 122.820 -0.054 0.000 2.564 315 A HA 0.601 4.922 4.320 0.002 0.000 0.279 315 A C 1.381 178.918 177.584 -0.078 0.000 1.232 315 A CA 0.421 52.424 52.037 -0.056 0.000 0.950 315 A CB -0.425 18.544 19.000 -0.052 0.000 1.138 315 A HN 0.694 nan 8.150 nan 0.000 0.526 316 G N -0.763 107.977 108.800 -0.099 0.000 2.283 316 G HA2 0.118 4.079 3.960 0.002 0.000 0.280 316 G HA3 0.118 4.079 3.960 0.002 0.000 0.280 316 G C 0.260 175.049 174.900 -0.185 0.000 1.029 316 G CA 0.539 45.552 45.100 -0.144 0.000 0.840 316 G HN 1.846 nan 8.290 nan 0.000 0.505 317 A N -0.452 122.256 122.820 -0.186 0.000 2.357 317 A HA 0.786 5.107 4.320 0.002 0.000 0.295 317 A C 0.595 178.041 177.584 -0.229 0.000 1.121 317 A CA 0.364 52.288 52.037 -0.188 0.000 0.742 317 A CB 1.453 20.374 19.000 -0.131 0.000 1.181 317 A HN 1.636 nan 8.150 nan 0.000 0.454 318 G N 2.404 111.049 108.800 -0.259 0.000 3.458 318 G HA2 0.447 4.408 3.960 0.002 0.000 0.256 318 G HA3 0.447 4.408 3.960 0.002 0.000 0.256 318 G C 0.303 174.949 174.900 -0.424 0.000 0.938 318 G CA 0.598 45.530 45.100 -0.280 0.000 1.890 318 G HN 1.142 nan 8.290 nan 0.000 0.639 319 T N -3.683 110.649 114.554 -0.370 0.000 2.906 319 T HA 0.336 4.687 4.350 0.002 0.000 0.295 319 T C 0.640 175.178 174.700 -0.270 0.000 1.075 319 T CA -0.917 60.982 62.100 -0.334 0.000 1.005 319 T CB 1.720 70.492 68.868 -0.160 0.000 1.136 319 T HN 0.170 nan 8.240 nan 0.000 0.498 320 W N 1.052 122.227 121.300 -0.208 0.000 2.358 320 W HA -0.067 4.594 4.660 0.002 0.000 0.303 320 W C 1.645 178.083 176.519 -0.135 0.000 1.208 320 W CA 1.380 58.617 57.345 -0.180 0.000 1.274 320 W CB -0.686 28.661 29.460 -0.189 0.000 1.138 320 W HN 0.820 nan 8.180 nan 0.000 0.515 321 D N -0.133 120.333 120.400 0.111 0.000 2.108 321 D HA -0.178 4.463 4.640 0.002 0.000 0.190 321 D C 2.218 178.521 176.300 0.005 0.000 0.995 321 D CA 2.335 56.357 54.000 0.036 0.000 0.834 321 D CB -0.795 40.011 40.800 0.009 0.000 0.967 321 D HN 0.016 nan 8.370 nan 0.000 0.446 322 A N 0.890 123.693 122.820 -0.027 0.000 1.902 322 A HA -0.070 4.251 4.320 0.002 0.000 0.217 322 A C 2.380 179.943 177.584 -0.035 0.000 1.181 322 A CA 2.397 54.408 52.037 -0.042 0.000 0.623 322 A CB -1.167 17.789 19.000 -0.073 0.000 0.818 322 A HN 0.323 nan 8.150 nan 0.000 0.443 323 G N -0.076 108.696 108.800 -0.047 0.000 2.491 323 G HA2 -0.198 3.764 3.960 0.002 0.000 0.218 323 G HA3 -0.198 3.764 3.960 0.002 0.000 0.218 323 G C 1.323 176.236 174.900 0.022 0.000 1.180 323 G CA 1.216 46.297 45.100 -0.031 0.000 0.774 323 G HN 0.339 nan 8.290 nan 0.000 0.562 324 L N 0.697 121.951 121.223 0.051 0.000 2.191 324 L HA -0.013 4.329 4.340 0.002 0.000 0.212 324 L C 3.138 180.021 176.870 0.023 0.000 1.103 324 L CA 0.722 55.590 54.840 0.047 0.000 0.769 324 L CB -1.113 40.968 42.059 0.037 0.000 0.908 324 L HN 0.126 nan 8.230 nan 0.000 0.438 325 V N -0.047 119.874 119.914 0.010 0.000 2.307 325 V HA -0.162 3.959 4.120 0.002 0.000 0.245 325 V C 2.649 178.749 176.094 0.009 0.000 1.045 325 V CA 1.746 64.049 62.300 0.004 0.000 1.024 325 V CB -1.311 30.509 31.823 -0.005 0.000 0.651 325 V HN 0.512 nan 8.190 nan 0.000 0.449 326 G N -0.082 108.722 108.800 0.006 0.000 2.442 326 G HA2 -0.208 3.753 3.960 0.002 0.000 0.219 326 G HA3 -0.208 3.753 3.960 0.002 0.000 0.219 326 G C 1.657 176.572 174.900 0.026 0.000 1.141 326 G CA 1.291 46.396 45.100 0.008 0.000 0.763 326 G HN 0.374 nan 8.290 nan 0.000 0.554 327 V N 0.778 120.715 119.914 0.038 0.000 2.261 327 V HA -0.186 3.935 4.120 0.002 0.000 0.246 327 V C 2.731 178.869 176.094 0.073 0.000 1.047 327 V CA 2.174 64.514 62.300 0.066 0.000 1.015 327 V CB -0.367 31.506 31.823 0.084 0.000 0.642 327 V HN 0.444 nan 8.190 nan 0.000 0.446 328 E N 0.416 120.646 120.200 0.051 0.000 2.085 328 E HA -0.265 4.086 4.350 0.002 0.000 0.194 328 E C 2.163 178.792 176.600 0.049 0.000 0.994 328 E CA 1.906 58.333 56.400 0.046 0.000 0.801 328 E CB -0.110 29.599 29.700 0.016 0.000 0.743 328 E HN 0.735 nan 8.360 nan 0.000 0.453 329 E N 0.115 120.337 120.200 0.036 0.000 2.051 329 E HA -0.164 4.187 4.350 0.002 0.000 0.192 329 E C 2.084 178.710 176.600 0.044 0.000 0.991 329 E CA 1.069 57.488 56.400 0.033 0.000 0.799 329 E CB -0.179 29.533 29.700 0.021 0.000 0.748 329 E HN 0.337 nan 8.360 nan 0.000 0.449 330 A N 1.169 124.017 122.820 0.048 0.000 1.933 330 A HA -0.160 4.161 4.320 0.002 0.000 0.218 330 A C 2.185 179.816 177.584 0.078 0.000 1.175 330 A CA 1.025 53.095 52.037 0.056 0.000 0.628 330 A CB -0.589 18.438 19.000 0.045 0.000 0.814 330 A HN 0.133 nan 8.150 nan 0.000 0.444 331 L N -0.649 120.631 121.223 0.096 0.000 2.046 331 L HA -0.157 4.184 4.340 0.002 0.000 0.208 331 L C 2.847 179.778 176.870 0.102 0.000 1.077 331 L CA 1.520 56.437 54.840 0.128 0.000 0.747 331 L CB -0.402 41.773 42.059 0.193 0.000 0.896 331 L HN 0.337 nan 8.230 nan 0.000 0.432 332 S N -0.093 115.654 115.700 0.078 0.000 2.371 332 S HA -0.084 4.387 4.470 0.002 0.000 0.224 332 S C 1.969 176.598 174.600 0.049 0.000 1.029 332 S CA 1.112 59.347 58.200 0.059 0.000 0.978 332 S CB -0.464 62.762 63.200 0.043 0.000 0.833 332 S HN 0.584 nan 8.310 nan 0.000 0.466 333 G N 1.043 109.872 108.800 0.048 0.000 2.498 333 G HA2 -0.119 3.842 3.960 0.002 0.000 0.219 333 G HA3 -0.119 3.842 3.960 0.002 0.000 0.219 333 G C 1.217 176.145 174.900 0.046 0.000 1.119 333 G CA 0.441 45.566 45.100 0.042 0.000 0.766 333 G HN 0.428 nan 8.290 nan 0.000 0.552 334 L N 0.050 121.310 121.223 0.061 0.000 2.558 334 L HA 0.400 4.741 4.340 0.002 0.000 0.225 334 L C 1.818 178.707 176.870 0.031 0.000 1.128 334 L CA 1.347 56.224 54.840 0.062 0.000 0.868 334 L CB 0.131 42.252 42.059 0.105 0.000 1.006 334 L HN 0.335 nan 8.230 nan 0.000 0.454 335 G N -1.290 107.531 108.800 0.035 0.000 2.168 335 G HA2 -0.178 3.783 3.960 0.002 0.000 0.197 335 G HA3 -0.178 3.783 3.960 0.002 0.000 0.197 335 G C 0.000 174.924 174.900 0.039 0.000 0.997 335 G CA -0.013 45.102 45.100 0.025 0.000 0.658 335 G HN 0.170 nan 8.290 nan 0.000 0.513 336 V N 1.328 121.279 119.914 0.061 0.000 2.432 336 V HA 0.479 4.600 4.120 0.002 0.000 0.275 336 V C 0.252 176.398 176.094 0.087 0.000 1.043 336 V CA -0.339 62.014 62.300 0.088 0.000 0.925 336 V CB 1.681 33.587 31.823 0.138 0.000 0.985 336 V HN 0.338 nan 8.190 nan 0.000 0.466 337 D N 3.666 124.112 120.400 0.077 0.000 2.374 337 D HA 0.077 4.718 4.640 0.002 0.000 0.240 337 D C 1.218 177.556 176.300 0.064 0.000 1.229 337 D CA -0.156 53.880 54.000 0.059 0.000 0.895 337 D CB 0.864 41.691 40.800 0.045 0.000 1.046 337 D HN 0.716 nan 8.370 nan 0.000 0.498 338 T N 1.380 115.966 114.554 0.054 0.000 3.609 338 T HA 0.326 4.677 4.350 0.002 0.000 0.245 338 T C 1.414 176.115 174.700 0.002 0.000 0.980 338 T CA -0.059 62.059 62.100 0.028 0.000 0.940 338 T CB 0.215 69.097 68.868 0.023 0.000 1.105 338 T HN 0.283 nan 8.240 nan 0.000 0.627 339 A N 1.893 124.719 122.820 0.010 0.000 1.832 339 A HA 0.333 4.654 4.320 0.002 0.000 0.214 339 A C 2.386 179.963 177.584 -0.012 0.000 1.200 339 A CA 0.971 53.009 52.037 0.002 0.000 0.610 339 A CB -1.224 17.782 19.000 0.010 0.000 0.842 339 A HN 0.660 nan 8.150 nan 0.000 0.444 340 G N -0.841 107.952 108.800 -0.012 0.000 3.262 340 G HA2 0.402 4.363 3.960 0.002 0.000 0.228 340 G HA3 0.402 4.363 3.960 0.002 0.000 0.228 340 G C 0.318 175.186 174.900 -0.053 0.000 1.197 340 G CA -0.322 44.764 45.100 -0.023 0.000 0.819 340 G HN 0.333 nan 8.290 nan 0.000 0.531 341 L N 0.562 121.739 121.223 -0.077 0.000 2.375 341 L HA 0.513 4.854 4.340 0.002 0.000 0.271 341 L C -0.512 176.290 176.870 -0.114 0.000 1.107 341 L CA -0.670 54.085 54.840 -0.142 0.000 0.806 341 L CB 2.098 44.035 42.059 -0.204 0.000 1.146 341 L HN -0.178 nan 8.230 nan 0.000 0.447 342 V N 4.394 124.229 119.914 -0.131 0.000 2.501 342 V HA 0.266 4.387 4.120 0.002 0.000 0.277 342 V C -0.232 175.796 176.094 -0.110 0.000 1.004 342 V CA -0.402 61.839 62.300 -0.098 0.000 0.862 342 V CB 1.505 33.283 31.823 -0.076 0.000 1.035 342 V HN 0.499 nan 8.190 nan 0.000 0.448 343 L N 3.769 124.932 121.223 -0.101 0.000 2.281 343 L HA 0.502 4.843 4.340 0.002 0.000 0.285 343 L C 1.081 177.901 176.870 -0.083 0.000 1.074 343 L CA -0.060 54.727 54.840 -0.087 0.000 0.817 343 L CB 0.782 42.804 42.059 -0.060 0.000 1.168 343 L HN 0.506 nan 8.230 nan 0.000 0.434 344 N N 1.144 119.786 118.700 -0.096 0.000 2.397 344 N HA 0.019 4.760 4.740 0.002 0.000 0.190 344 N C -0.565 174.810 175.510 -0.226 0.000 1.099 344 N CA 0.323 53.284 53.050 -0.149 0.000 0.876 344 N CB 0.656 39.059 38.487 -0.141 0.000 1.143 344 N HN 0.847 nan 8.380 nan 0.000 0.468 345 D N -3.430 116.894 120.400 -0.128 0.000 2.639 345 D HA 0.324 4.965 4.640 0.002 0.000 0.271 345 D C 0.814 177.167 176.300 0.088 0.000 1.254 345 D CA -0.554 53.381 54.000 -0.109 0.000 0.810 345 D CB 0.401 41.120 40.800 -0.135 0.000 1.351 345 D HN -0.102 nan 8.370 nan 0.000 0.427 346 G N -0.778 108.149 108.800 0.211 0.000 2.453 346 G HA2 -0.065 3.896 3.960 0.002 0.000 0.215 346 G HA3 -0.065 3.896 3.960 0.002 0.000 0.215 346 G C 1.207 176.278 174.900 0.284 0.000 1.147 346 G CA 0.979 46.232 45.100 0.256 0.000 0.802 346 G HN 0.622 nan 8.290 nan 0.000 0.535 347 S N -0.432 115.454 115.700 0.309 0.000 2.436 347 S HA 0.310 4.781 4.470 0.002 0.000 0.228 347 S C 1.908 176.604 174.600 0.160 0.000 1.014 347 S CA 1.215 59.578 58.200 0.272 0.000 0.950 347 S CB -0.197 63.175 63.200 0.286 0.000 0.784 347 S HN 1.536 nan 8.310 nan 0.000 0.504 348 G N 0.797 109.682 108.800 0.141 0.000 2.131 348 G HA2 -0.191 3.770 3.960 0.002 0.000 0.223 348 G HA3 -0.191 3.770 3.960 0.002 0.000 0.223 348 G C 0.345 175.249 174.900 0.007 0.000 0.990 348 G CA 0.302 45.440 45.100 0.064 0.000 0.671 348 G HN 0.486 nan 8.290 nan 0.000 0.521 349 L N 0.427 121.669 121.223 0.032 0.000 2.270 349 L HA 0.274 4.615 4.340 0.002 0.000 0.210 349 L C 1.753 178.553 176.870 -0.118 0.000 1.104 349 L CA 1.311 56.067 54.840 -0.140 0.000 0.804 349 L CB -0.125 41.709 42.059 -0.375 0.000 0.937 349 L HN 0.412 nan 8.230 nan 0.000 0.450 350 S N -0.131 115.639 115.700 0.116 0.000 2.548 350 S HA 0.097 4.568 4.470 0.002 0.000 0.277 350 S C 1.091 175.650 174.600 -0.069 0.000 1.315 350 S CA -0.411 57.833 58.200 0.074 0.000 1.050 350 S CB 0.828 64.081 63.200 0.089 0.000 0.918 350 S HN 0.286 nan 8.310 nan 0.000 0.497 351 R N 3.117 123.536 120.500 -0.134 0.000 2.323 351 R HA 0.069 4.410 4.340 0.002 0.000 0.198 351 R C 1.728 177.986 176.300 -0.070 0.000 0.988 351 R CA 0.618 56.646 56.100 -0.120 0.000 1.041 351 R CB -0.195 30.017 30.300 -0.145 0.000 0.926 351 R HN 0.733 nan 8.270 nan 0.000 0.476 352 G N -0.040 108.721 108.800 -0.066 0.000 3.141 352 G HA2 -0.029 3.932 3.960 0.002 0.000 0.218 352 G HA3 -0.029 3.932 3.960 0.002 0.000 0.218 352 G C 0.151 175.012 174.900 -0.065 0.000 1.170 352 G CA -0.345 44.718 45.100 -0.061 0.000 0.769 352 G HN 0.120 nan 8.290 nan 0.000 0.546 353 N N 0.653 119.316 118.700 -0.062 0.000 2.499 353 N HA 0.479 5.220 4.740 0.002 0.000 0.281 353 N C -0.881 174.590 175.510 -0.066 0.000 1.098 353 N CA 0.111 53.121 53.050 -0.066 0.000 0.979 353 N CB 1.970 40.426 38.487 -0.052 0.000 1.121 353 N HN 0.019 nan 8.380 nan 0.000 0.466 354 L N 1.703 122.875 121.223 -0.084 0.000 2.431 354 L HA 0.596 4.937 4.340 0.002 0.000 0.266 354 L C -0.148 176.656 176.870 -0.111 0.000 0.978 354 L CA -0.897 53.898 54.840 -0.075 0.000 0.822 354 L CB 2.073 44.096 42.059 -0.059 0.000 1.310 354 L HN 0.269 nan 8.230 nan 0.000 0.409 355 V N -0.572 119.294 119.914 -0.080 0.000 3.112 355 V HA 0.904 5.025 4.120 0.002 0.000 0.310 355 V C -0.714 175.373 176.094 -0.011 0.000 1.364 355 V CA -0.522 61.725 62.300 -0.088 0.000 1.058 355 V CB 2.208 33.980 31.823 -0.086 0.000 1.079 355 V HN 0.805 nan 8.190 nan 0.000 0.463 356 T N -2.650 111.922 114.554 0.030 0.000 2.916 356 T HA 0.784 5.135 4.350 0.002 0.000 0.305 356 T C 0.811 175.561 174.700 0.083 0.000 1.119 356 T CA 0.011 62.140 62.100 0.048 0.000 1.008 356 T CB 1.595 70.487 68.868 0.039 0.000 1.129 356 T HN 1.902 nan 8.240 nan 0.000 0.480 357 A N 1.618 124.484 122.820 0.076 0.000 1.917 357 A HA -0.127 4.194 4.320 0.002 0.000 0.219 357 A C 1.916 179.551 177.584 0.085 0.000 1.182 357 A CA 2.148 54.234 52.037 0.082 0.000 0.633 357 A CB -1.120 17.929 19.000 0.082 0.000 0.819 357 A HN 0.909 nan 8.150 nan 0.000 0.448 358 D N -0.512 119.935 120.400 0.079 0.000 2.116 358 D HA -0.120 4.521 4.640 0.002 0.000 0.193 358 D C 2.085 178.442 176.300 0.095 0.000 0.998 358 D CA 2.006 56.051 54.000 0.075 0.000 0.836 358 D CB -0.755 40.081 40.800 0.060 0.000 0.951 358 D HN 0.453 nan 8.370 nan 0.000 0.449 359 T N 0.343 114.972 114.554 0.124 0.000 2.759 359 T HA -0.101 4.250 4.350 0.002 0.000 0.269 359 T C 2.214 177.078 174.700 0.273 0.000 1.042 359 T CA 0.896 63.114 62.100 0.197 0.000 1.140 359 T CB -0.291 68.700 68.868 0.205 0.000 0.864 359 T HN -0.006 nan 8.240 nan 0.000 0.455 360 V N 1.191 121.248 119.914 0.239 0.000 2.283 360 V HA -0.113 4.008 4.120 0.002 0.000 0.243 360 V C 2.692 178.779 176.094 -0.011 0.000 1.039 360 V CA 1.209 63.582 62.300 0.122 0.000 1.016 360 V CB -0.790 31.089 31.823 0.093 0.000 0.650 360 V HN 0.306 nan 8.190 nan 0.000 0.449 361 V N 0.785 120.704 119.914 0.009 0.000 2.568 361 V HA -0.266 3.855 4.120 0.002 0.000 0.253 361 V C 2.338 178.446 176.094 0.023 0.000 1.072 361 V CA 2.194 64.490 62.300 -0.007 0.000 1.084 361 V CB -0.758 31.084 31.823 0.031 0.000 0.676 361 V HN 0.618 nan 8.190 nan 0.000 0.469 362 D N 0.273 120.701 120.400 0.045 0.000 2.084 362 D HA -0.157 4.484 4.640 0.002 0.000 0.196 362 D C 1.967 178.283 176.300 0.027 0.000 0.985 362 D CA 1.264 55.294 54.000 0.051 0.000 0.826 362 D CB -0.154 40.692 40.800 0.078 0.000 0.978 362 D HN 0.322 nan 8.370 nan 0.000 0.456 363 L N 0.344 121.565 121.223 -0.004 0.000 2.131 363 L HA -0.004 4.338 4.340 0.002 0.000 0.210 363 L C 2.168 179.017 176.870 -0.035 0.000 1.092 363 L CA 1.292 56.087 54.840 -0.075 0.000 0.759 363 L CB -0.476 41.402 42.059 -0.303 0.000 0.903 363 L HN 0.130 nan 8.230 nan 0.000 0.435 364 L N -0.964 120.262 121.223 0.005 0.000 2.201 364 L HA -0.067 4.274 4.340 0.002 0.000 0.212 364 L C 2.360 179.386 176.870 0.260 0.000 1.105 364 L CA 0.953 55.869 54.840 0.127 0.000 0.775 364 L CB -1.139 40.841 42.059 -0.132 0.000 0.913 364 L HN 0.460 nan 8.230 nan 0.000 0.440 365 G N -1.297 107.574 108.800 0.119 0.000 2.439 365 G HA2 -0.162 3.799 3.960 0.002 0.000 0.212 365 G HA3 -0.162 3.799 3.960 0.002 0.000 0.212 365 G C 1.425 176.329 174.900 0.006 0.000 1.199 365 G CA -0.045 45.111 45.100 0.092 0.000 0.807 365 G HN 0.161 nan 8.290 nan 0.000 0.537 366 Q N 0.774 120.557 119.800 -0.027 0.000 2.014 366 Q HA -0.176 4.165 4.340 0.002 0.000 0.207 366 Q C 2.994 178.867 176.000 -0.211 0.000 0.993 366 Q CA 1.776 57.525 55.803 -0.090 0.000 0.850 366 Q CB -0.959 27.747 28.738 -0.053 0.000 0.916 366 Q HN 0.407 nan 8.270 nan 0.000 0.417 367 A N 0.915 123.594 122.820 -0.236 0.000 1.986 367 A HA -0.138 4.183 4.320 0.002 0.000 0.220 367 A C 2.359 179.605 177.584 -0.563 0.000 1.171 367 A CA 1.916 53.636 52.037 -0.528 0.000 0.640 367 A CB -1.122 17.448 19.000 -0.716 0.000 0.811 367 A HN 0.497 nan 8.150 nan 0.000 0.451 368 G N -0.264 108.398 108.800 -0.231 0.000 2.422 368 G HA2 -0.107 3.854 3.960 0.002 0.000 0.218 368 G HA3 -0.107 3.854 3.960 0.002 0.000 0.218 368 G C 1.334 176.077 174.900 -0.263 0.000 1.146 368 G CA 1.366 46.341 45.100 -0.208 0.000 0.769 368 G HN 1.016 nan 8.290 nan 0.000 0.547 369 S N -0.237 115.305 115.700 -0.265 0.000 2.481 369 S HA 0.762 5.233 4.470 0.002 0.000 0.243 369 S C 0.242 174.633 174.600 -0.349 0.000 1.152 369 S CA -0.055 57.997 58.200 -0.247 0.000 1.168 369 S CB 0.653 63.758 63.200 -0.158 0.000 0.835 369 S HN 0.575 nan 8.310 nan 0.000 0.474 370 A N 1.710 124.187 122.820 -0.571 0.000 2.346 370 A HA 0.857 5.178 4.320 0.002 0.000 0.313 370 A C -1.875 175.286 177.584 -0.705 0.000 1.140 370 A CA -2.101 49.466 52.037 -0.784 0.000 0.826 370 A CB 0.383 18.487 19.000 -1.493 0.000 1.332 370 A HN 0.266 nan 8.150 nan 0.000 0.457 371 P HA -0.147 nan 4.420 nan 0.000 0.216 371 P C 1.020 178.196 177.300 -0.206 0.000 1.153 371 P CA 1.800 64.722 63.100 -0.297 0.000 0.858 371 P CB -0.032 31.587 31.700 -0.135 0.000 0.789 372 W N -1.786 119.506 121.300 -0.013 0.000 3.256 372 W HA 0.512 5.173 4.660 0.002 0.000 0.269 372 W C 1.340 177.891 176.519 0.055 0.000 1.310 372 W CA 0.257 57.620 57.345 0.031 0.000 1.673 372 W CB -1.421 28.068 29.460 0.048 0.000 1.115 372 W HN -0.123 nan 8.180 nan 0.000 0.686 373 A N 1.628 124.324 122.820 -0.207 0.000 2.104 373 A HA -0.323 3.998 4.320 0.002 0.000 0.223 373 A C 2.089 179.792 177.584 0.198 0.000 1.164 373 A CA 2.432 54.420 52.037 -0.081 0.000 0.659 373 A CB -0.572 18.252 19.000 -0.293 0.000 0.808 373 A HN 0.332 nan 8.150 nan 0.000 0.465 374 Q N -0.689 119.212 119.800 0.169 0.000 2.089 374 Q HA -0.066 4.275 4.340 0.002 0.000 0.195 374 Q C 2.318 178.455 176.000 0.230 0.000 0.963 374 Q CA 2.334 58.235 55.803 0.163 0.000 0.834 374 Q CB -0.659 28.138 28.738 0.098 0.000 0.906 374 Q HN 0.730 nan 8.270 nan 0.000 0.452 375 T N -1.502 113.218 114.554 0.277 0.000 3.007 375 T HA -0.131 4.220 4.350 0.002 0.000 0.270 375 T C 1.468 176.370 174.700 0.336 0.000 1.107 375 T CA 0.920 63.179 62.100 0.265 0.000 1.118 375 T CB -0.485 68.537 68.868 0.256 0.000 0.889 375 T HN 0.527 nan 8.240 nan 0.000 0.506 376 W N 2.120 123.562 121.300 0.237 0.000 2.418 376 W HA -0.048 4.613 4.660 0.002 0.000 0.319 376 W C 1.932 178.558 176.519 0.178 0.000 1.183 376 W CA 1.094 58.588 57.345 0.249 0.000 1.327 376 W CB -0.698 29.035 29.460 0.455 0.000 1.163 376 W HN 0.323 nan 8.180 nan 0.000 0.479 377 S N 1.470 117.362 115.700 0.321 0.000 2.419 377 S HA -0.155 4.316 4.470 0.002 0.000 0.235 377 S C 2.039 176.657 174.600 0.030 0.000 1.019 377 S CA 1.532 59.795 58.200 0.105 0.000 0.982 377 S CB -0.710 62.572 63.200 0.137 0.000 0.789 377 S HN 0.421 nan 8.310 nan 0.000 0.490 378 A N 1.769 124.635 122.820 0.076 0.000 1.930 378 A HA -0.057 4.264 4.320 0.002 0.000 0.217 378 A C 2.254 179.847 177.584 0.015 0.000 1.175 378 A CA 1.639 53.709 52.037 0.057 0.000 0.627 378 A CB -0.715 18.342 19.000 0.094 0.000 0.815 378 A HN 0.610 nan 8.150 nan 0.000 0.443 379 S N -0.908 114.788 115.700 -0.007 0.000 2.607 379 S HA 0.255 4.726 4.470 0.002 0.000 0.224 379 S C 0.471 174.970 174.600 -0.169 0.000 0.969 379 S CA -0.216 57.954 58.200 -0.050 0.000 0.927 379 S CB -0.566 62.632 63.200 -0.003 0.000 0.772 379 S HN 0.350 nan 8.310 nan 0.000 0.533 380 L N 2.434 123.541 121.223 -0.194 0.000 2.331 380 L HA 0.392 4.733 4.340 0.002 0.000 0.278 380 L C -2.499 174.271 176.870 -0.167 0.000 1.106 380 L CA -2.554 52.146 54.840 -0.234 0.000 0.824 380 L CB 0.875 42.796 42.059 -0.229 0.000 1.142 380 L HN -0.024 nan 8.230 nan 0.000 0.443 381 P HA -0.003 nan 4.420 nan 0.000 0.264 381 P C -0.877 176.366 177.300 -0.095 0.000 1.193 381 P CA -0.066 62.934 63.100 -0.167 0.000 0.763 381 P CB 0.599 32.182 31.700 -0.195 0.000 0.810 382 V N 3.664 123.536 119.914 -0.069 0.000 2.407 382 V HA 0.420 4.541 4.120 0.002 0.000 0.278 382 V C 0.746 176.820 176.094 -0.033 0.000 1.037 382 V CA -0.928 61.352 62.300 -0.034 0.000 0.900 382 V CB 0.783 32.595 31.823 -0.019 0.000 0.983 382 V HN 0.649 nan 8.190 nan 0.000 0.459 383 A N 3.966 126.772 122.820 -0.024 0.000 2.565 383 A HA 0.457 4.778 4.320 0.002 0.000 0.237 383 A C 1.626 179.194 177.584 -0.026 0.000 1.053 383 A CA 0.656 52.677 52.037 -0.027 0.000 0.755 383 A CB -0.532 18.452 19.000 -0.026 0.000 0.980 383 A HN 2.249 nan 8.150 nan 0.000 0.506 384 G N 1.075 109.861 108.800 -0.023 0.000 2.186 384 G HA2 -0.224 3.737 3.960 0.002 0.000 0.266 384 G HA3 -0.224 3.737 3.960 0.002 0.000 0.266 384 G C 0.087 174.982 174.900 -0.008 0.000 0.982 384 G CA 0.581 45.671 45.100 -0.016 0.000 0.670 384 G HN 0.851 nan 8.290 nan 0.000 0.533 385 E N 1.166 121.362 120.200 -0.007 0.000 1.932 385 E HA 0.309 4.660 4.350 0.002 0.000 0.275 385 E C 1.727 178.337 176.600 0.018 0.000 1.159 385 E CA 0.489 56.892 56.400 0.005 0.000 0.905 385 E CB 0.723 30.425 29.700 0.004 0.000 1.059 385 E HN 0.537 nan 8.360 nan 0.000 0.400 386 S N 1.708 117.422 115.700 0.023 0.000 2.407 386 S HA -0.221 4.250 4.470 0.002 0.000 0.235 386 S C 0.894 175.528 174.600 0.057 0.000 1.036 386 S CA 0.764 58.984 58.200 0.034 0.000 1.013 386 S CB -0.057 63.161 63.200 0.030 0.000 0.820 386 S HN 0.449 nan 8.310 nan 0.000 0.476 387 D N 3.442 123.880 120.400 0.065 0.000 2.451 387 D HA 0.127 4.768 4.640 0.002 0.000 0.254 387 D C -1.574 174.806 176.300 0.135 0.000 1.204 387 D CA -1.679 52.383 54.000 0.103 0.000 0.896 387 D CB 1.169 42.028 40.800 0.099 0.000 1.136 387 D HN 0.078 nan 8.370 nan 0.000 0.499 388 P HA -0.142 nan 4.420 nan 0.000 0.215 388 P C 0.941 178.370 177.300 0.214 0.000 1.157 388 P CA 1.043 64.297 63.100 0.256 0.000 0.874 388 P CB -0.000 31.894 31.700 0.323 0.000 0.790 389 F N -1.960 118.105 119.950 0.192 0.000 2.804 389 F HA -0.010 4.518 4.527 0.002 0.000 0.303 389 F C 1.694 177.475 175.800 -0.032 0.000 1.154 389 F CA 0.556 58.614 58.000 0.097 0.000 1.401 389 F CB -0.254 38.845 39.000 0.165 0.000 1.106 389 F HN -0.216 nan 8.300 nan 0.000 0.568 390 V N -2.161 117.802 119.914 0.082 0.000 3.137 390 V HA 0.207 4.328 4.120 0.002 0.000 0.236 390 V C 2.291 178.357 176.094 -0.047 0.000 1.260 390 V CA 1.083 63.397 62.300 0.025 0.000 1.244 390 V CB -0.383 31.474 31.823 0.055 0.000 1.016 390 V HN 0.212 nan 8.190 nan 0.000 0.477 391 G N -0.280 108.497 108.800 -0.039 0.000 2.603 391 G HA2 0.368 4.329 3.960 0.002 0.000 0.214 391 G HA3 0.368 4.329 3.960 0.002 0.000 0.214 391 G C 1.144 175.970 174.900 -0.122 0.000 1.140 391 G CA 0.967 46.033 45.100 -0.058 0.000 0.800 391 G HN 0.825 nan 8.290 nan 0.000 0.533 392 G N 0.356 109.027 108.800 -0.216 0.000 2.602 392 G HA2 -0.348 3.613 3.960 0.002 0.000 0.306 392 G HA3 -0.348 3.613 3.960 0.002 0.000 0.306 392 G C 1.309 176.129 174.900 -0.133 0.000 1.301 392 G CA 2.043 46.927 45.100 -0.360 0.000 0.974 392 G HN 1.199 nan 8.290 nan 0.000 0.547 393 T N -1.666 112.807 114.554 -0.134 0.000 3.284 393 T HA 0.388 4.739 4.350 0.002 0.000 0.252 393 T C 1.341 176.004 174.700 -0.062 0.000 1.144 393 T CA 1.457 63.522 62.100 -0.060 0.000 1.021 393 T CB 0.181 69.008 68.868 -0.069 0.000 0.984 393 T HN 0.711 nan 8.240 nan 0.000 0.545 394 L N -0.355 120.825 121.223 -0.072 0.000 3.069 394 L HA 0.669 5.010 4.340 0.002 0.000 0.271 394 L C 1.941 178.788 176.870 -0.039 0.000 1.201 394 L CA -0.075 54.732 54.840 -0.054 0.000 1.015 394 L CB -0.169 41.853 42.059 -0.062 0.000 1.371 394 L HN 0.276 nan 8.230 nan 0.000 0.574 395 A N -0.110 122.693 122.820 -0.029 0.000 1.873 395 A HA -0.097 4.224 4.320 0.002 0.000 0.215 395 A C 1.591 179.171 177.584 -0.006 0.000 1.186 395 A CA 1.532 53.562 52.037 -0.010 0.000 0.616 395 A CB -0.280 18.726 19.000 0.011 0.000 0.823 395 A HN 0.504 nan 8.150 nan 0.000 0.442 396 N N 0.077 118.773 118.700 -0.006 0.000 2.314 396 N HA 0.078 4.819 4.740 0.002 0.000 0.200 396 N C -0.126 175.375 175.510 -0.015 0.000 1.135 396 N CA 0.218 53.264 53.050 -0.007 0.000 0.835 396 N CB 0.289 38.774 38.487 -0.004 0.000 0.989 396 N HN 0.460 nan 8.380 nan 0.000 0.478 397 R N -0.118 120.370 120.500 -0.020 0.000 2.711 397 R HA 0.423 4.764 4.340 0.002 0.000 0.284 397 R C 0.620 176.903 176.300 -0.028 0.000 0.968 397 R CA -0.598 55.487 56.100 -0.026 0.000 0.924 397 R CB 1.494 31.776 30.300 -0.031 0.000 1.162 397 R HN -0.037 nan 8.270 nan 0.000 0.465 398 M N 0.421 120.002 119.600 -0.032 0.000 2.751 398 M HA -0.274 4.207 4.480 0.002 0.000 0.199 398 M C -0.563 175.720 176.300 -0.028 0.000 0.550 398 M CA 1.067 56.346 55.300 -0.035 0.000 0.640 398 M CB -1.268 31.306 32.600 -0.043 0.000 2.351 398 M HN 0.542 nan 8.290 nan 0.000 0.613 399 R N 0.596 121.083 120.500 -0.022 0.000 2.491 399 R HA 0.367 4.708 4.340 0.002 0.000 0.283 399 R C 1.359 177.650 176.300 -0.015 0.000 1.072 399 R CA 0.865 56.956 56.100 -0.016 0.000 1.048 399 R CB 0.562 30.856 30.300 -0.010 0.000 0.983 399 R HN 0.513 nan 8.270 nan 0.000 0.450 400 G N 1.572 110.364 108.800 -0.013 0.000 2.143 400 G HA2 -0.286 3.675 3.960 0.002 0.000 0.248 400 G HA3 -0.286 3.675 3.960 0.002 0.000 0.248 400 G C 0.126 175.019 174.900 -0.011 0.000 0.991 400 G CA 0.530 45.624 45.100 -0.009 0.000 0.689 400 G HN 0.730 nan 8.290 nan 0.000 0.522 401 T N -3.861 110.683 114.554 -0.017 0.000 2.930 401 T HA 0.800 5.151 4.350 0.002 0.000 0.290 401 T C 1.458 176.147 174.700 -0.018 0.000 1.052 401 T CA 0.283 62.372 62.100 -0.018 0.000 1.017 401 T CB 1.813 70.663 68.868 -0.029 0.000 1.137 401 T HN 1.443 nan 8.240 nan 0.000 0.511 402 A N 0.574 123.391 122.820 -0.006 0.000 2.194 402 A HA 0.173 4.494 4.320 0.002 0.000 0.220 402 A C 2.270 179.826 177.584 -0.047 0.000 1.162 402 A CA 1.763 53.806 52.037 0.010 0.000 0.674 402 A CB -1.283 17.748 19.000 0.052 0.000 0.789 402 A HN 1.271 nan 8.150 nan 0.000 0.470 403 A N -0.716 122.068 122.820 -0.060 0.000 2.132 403 A HA 0.153 4.474 4.320 0.002 0.000 0.213 403 A C 0.992 178.523 177.584 -0.088 0.000 1.154 403 A CA 0.369 52.352 52.037 -0.091 0.000 0.753 403 A CB -0.245 18.708 19.000 -0.078 0.000 0.826 403 A HN 0.594 nan 8.150 nan 0.000 0.469 404 E N 0.195 120.357 120.200 -0.064 0.000 2.585 404 E HA 0.241 4.592 4.350 0.002 0.000 0.252 404 E C 1.152 177.718 176.600 -0.058 0.000 0.981 404 E CA 0.603 56.974 56.400 -0.048 0.000 0.943 404 E CB -0.176 29.506 29.700 -0.030 0.000 0.923 404 E HN 0.704 nan 8.360 nan 0.000 0.486 405 G N 2.728 111.500 108.800 -0.046 0.000 2.168 405 G HA2 -0.288 3.673 3.960 0.002 0.000 0.263 405 G HA3 -0.288 3.673 3.960 0.002 0.000 0.263 405 G C 0.590 175.452 174.900 -0.064 0.000 0.977 405 G CA 0.399 45.476 45.100 -0.039 0.000 0.659 405 G HN 0.473 nan 8.290 nan 0.000 0.533 406 V N -0.642 119.209 119.914 -0.105 0.000 2.950 406 V HA 0.216 4.337 4.120 0.002 0.000 0.231 406 V C 1.732 177.790 176.094 -0.059 0.000 1.205 406 V CA 0.842 63.045 62.300 -0.161 0.000 1.239 406 V CB 0.354 31.921 31.823 -0.428 0.000 1.050 406 V HN 0.212 nan 8.190 nan 0.000 0.498 407 V N 3.298 123.190 119.914 -0.037 0.000 2.655 407 V HA 0.113 4.234 4.120 0.002 0.000 0.300 407 V C 0.185 176.322 176.094 0.070 0.000 1.044 407 V CA 0.169 62.502 62.300 0.055 0.000 1.095 407 V CB 0.396 32.243 31.823 0.040 0.000 0.952 407 V HN 0.778 nan 8.190 nan 0.000 0.485 408 E N 4.020 124.296 120.200 0.126 0.000 2.873 408 E HA 0.699 5.050 4.350 0.002 0.000 0.232 408 E C -0.522 176.093 176.600 0.025 0.000 1.123 408 E CA -0.515 55.926 56.400 0.069 0.000 0.809 408 E CB 1.483 31.234 29.700 0.086 0.000 1.366 408 E HN 0.632 nan 8.360 nan 0.000 0.400 409 A N 2.295 125.110 122.820 -0.009 0.000 2.344 409 A HA 0.722 5.043 4.320 0.002 0.000 0.307 409 A C -0.758 176.730 177.584 -0.159 0.000 1.151 409 A CA -0.925 51.043 52.037 -0.115 0.000 0.842 409 A CB 1.593 20.613 19.000 0.033 0.000 1.350 409 A HN 0.333 nan 8.150 nan 0.000 0.459 410 K N 0.307 120.581 120.400 -0.210 0.000 2.182 410 K HA 0.565 4.886 4.320 0.002 0.000 0.262 410 K C 0.083 176.601 176.600 -0.137 0.000 0.957 410 K CA 0.141 56.305 56.287 -0.205 0.000 0.842 410 K CB 1.131 33.480 32.500 -0.252 0.000 1.099 410 K HN 0.876 nan 8.250 nan 0.000 0.438 411 T N -0.338 114.142 114.554 -0.123 0.000 2.897 411 T HA 0.826 5.177 4.350 0.002 0.000 0.278 411 T C 0.099 174.749 174.700 -0.083 0.000 0.981 411 T CA -0.703 61.346 62.100 -0.085 0.000 0.973 411 T CB 1.528 70.349 68.868 -0.078 0.000 1.092 411 T HN 0.634 nan 8.240 nan 0.000 0.543 412 G N 0.279 109.041 108.800 -0.063 0.000 2.378 412 G HA2 0.496 4.457 3.960 0.002 0.000 0.306 412 G HA3 0.496 4.457 3.960 0.002 0.000 0.306 412 G C -1.077 173.795 174.900 -0.047 0.000 1.413 412 G CA -0.676 44.389 45.100 -0.060 0.000 1.123 412 G HN 0.839 nan 8.290 nan 0.000 0.587 413 T N 2.926 117.441 114.554 -0.065 0.000 2.991 413 T HA 0.720 5.071 4.350 0.002 0.000 0.303 413 T C 0.136 174.790 174.700 -0.076 0.000 1.015 413 T CA -0.408 61.665 62.100 -0.045 0.000 1.007 413 T CB 1.547 70.394 68.868 -0.036 0.000 1.034 413 T HN 0.548 nan 8.240 nan 0.000 0.446 414 M N 0.442 120.014 119.600 -0.046 0.000 3.022 414 M HA 0.497 4.978 4.480 0.002 0.000 0.289 414 M C -0.306 175.988 176.300 -0.010 0.000 1.256 414 M CA -1.053 54.203 55.300 -0.072 0.000 0.750 414 M CB 1.542 34.071 32.600 -0.119 0.000 1.788 414 M HN 0.343 nan 8.290 nan 0.000 0.428 415 S N 0.761 116.460 115.700 -0.003 0.000 2.505 415 S HA 0.388 4.859 4.470 0.002 0.000 0.276 415 S C 0.734 175.283 174.600 -0.085 0.000 1.274 415 S CA 0.480 58.682 58.200 0.003 0.000 1.053 415 S CB 0.413 63.662 63.200 0.082 0.000 0.919 415 S HN 1.011 nan 8.310 nan 0.000 0.490 416 G N 2.042 110.683 108.800 -0.265 0.000 2.203 416 G HA2 -0.220 3.741 3.960 0.002 0.000 0.263 416 G HA3 -0.220 3.741 3.960 0.002 0.000 0.263 416 G C -0.077 174.598 174.900 -0.375 0.000 1.012 416 G CA 0.310 45.057 45.100 -0.589 0.000 0.749 416 G HN 0.797 nan 8.290 nan 0.000 0.512 417 V N -0.750 119.125 119.914 -0.064 0.000 2.711 417 V HA 0.796 4.918 4.120 0.002 0.000 0.304 417 V C -0.254 175.956 176.094 0.192 0.000 1.097 417 V CA -0.138 62.228 62.300 0.111 0.000 0.906 417 V CB 2.104 33.931 31.823 0.006 0.000 1.015 417 V HN 0.700 nan 8.190 nan 0.000 0.427 418 S N 2.585 118.396 115.700 0.185 0.000 2.603 418 S HA 0.893 5.364 4.470 0.002 0.000 0.274 418 S C -0.737 173.878 174.600 0.026 0.000 1.168 418 S CA 0.291 58.527 58.200 0.060 0.000 0.963 418 S CB 1.597 64.774 63.200 -0.038 0.000 1.078 418 S HN 1.430 nan 8.310 nan 0.000 0.477 419 A N 2.861 125.684 122.820 0.005 0.000 2.469 419 A HA 0.952 5.273 4.320 0.002 0.000 0.299 419 A C -1.702 175.883 177.584 0.001 0.000 1.098 419 A CA -0.656 51.386 52.037 0.009 0.000 0.737 419 A CB 1.739 20.745 19.000 0.010 0.000 1.312 419 A HN 1.102 nan 8.150 nan 0.000 0.414 420 L N 0.877 122.115 121.223 0.026 0.000 2.680 420 L HA 0.617 4.958 4.340 0.002 0.000 0.260 420 L C -1.140 175.761 176.870 0.052 0.000 0.975 420 L CA 0.325 55.202 54.840 0.062 0.000 0.920 420 L CB 1.546 43.680 42.059 0.125 0.000 1.234 420 L HN 0.543 nan 8.230 nan 0.000 0.429 421 S N 2.578 118.173 115.700 -0.174 0.000 2.557 421 S HA 1.016 5.487 4.470 0.002 0.000 0.291 421 S C -0.056 174.096 174.600 -0.746 0.000 1.116 421 S CA -0.065 57.809 58.200 -0.543 0.000 0.992 421 S CB 1.804 64.797 63.200 -0.344 0.000 1.028 421 S HN 1.056 nan 8.310 nan 0.000 0.484 422 G N 1.439 109.400 108.800 -1.398 0.000 2.450 422 G HA2 0.531 4.492 3.960 0.002 0.000 0.273 422 G HA3 0.531 4.492 3.960 0.002 0.000 0.273 422 G C -2.328 172.003 174.900 -0.948 0.000 1.221 422 G CA -0.505 44.011 45.100 -0.973 0.000 0.900 422 G HN 0.461 nan 8.290 nan 0.000 0.483 423 Y N -1.254 119.032 120.300 -0.024 0.000 2.549 423 Y HA 0.654 5.205 4.550 0.002 0.000 0.339 423 Y C 0.135 176.200 175.900 0.275 0.000 1.053 423 Y CA -0.934 57.252 58.100 0.143 0.000 1.105 423 Y CB 2.615 41.136 38.460 0.101 0.000 1.258 423 Y HN 0.251 nan 8.280 nan 0.000 0.478 424 V N 3.739 123.911 119.914 0.431 0.000 2.383 424 V HA 0.251 4.372 4.120 0.002 0.000 0.264 424 V C -2.505 173.740 176.094 0.252 0.000 1.001 424 V CA -1.825 60.649 62.300 0.290 0.000 0.828 424 V CB 0.670 32.641 31.823 0.247 0.000 1.069 424 V HN 0.546 nan 8.190 nan 0.000 0.451 425 P HA 0.302 nan 4.420 nan 0.000 0.267 425 P C 0.120 177.595 177.300 0.291 0.000 1.209 425 P CA 0.758 63.971 63.100 0.187 0.000 0.763 425 P CB 1.580 33.358 31.700 0.130 0.000 0.816 426 G N 3.944 112.865 108.800 0.202 0.000 2.718 426 G HA2 0.462 4.423 3.960 0.002 0.000 0.295 426 G HA3 0.462 4.423 3.960 0.002 0.000 0.295 426 G C -2.115 172.794 174.900 0.014 0.000 1.421 426 G CA -1.112 44.063 45.100 0.125 0.000 0.902 426 G HN 0.137 nan 8.290 nan 0.000 0.501 427 P HA -0.121 nan 4.420 nan 0.000 0.215 427 P C 1.172 178.444 177.300 -0.047 0.000 1.153 427 P CA 1.139 64.208 63.100 -0.051 0.000 0.853 427 P CB 0.402 32.052 31.700 -0.083 0.000 0.788 428 E N 0.571 120.726 120.200 -0.075 0.000 2.013 428 E HA -0.056 4.295 4.350 0.002 0.000 0.202 428 E C 1.389 177.973 176.600 -0.026 0.000 1.018 428 E CA 1.648 58.006 56.400 -0.069 0.000 0.834 428 E CB -0.850 28.781 29.700 -0.116 0.000 0.770 428 E HN 0.345 nan 8.360 nan 0.000 0.459 429 G N 0.720 109.521 108.800 0.003 0.000 2.752 429 G HA2 0.241 4.202 3.960 0.002 0.000 0.298 429 G HA3 0.241 4.202 3.960 0.002 0.000 0.298 429 G C -1.468 173.482 174.900 0.083 0.000 1.434 429 G CA -0.745 44.380 45.100 0.040 0.000 1.004 429 G HN -0.017 nan 8.290 nan 0.000 0.560 430 E N 0.219 120.469 120.200 0.083 0.000 2.502 430 E HA 0.322 4.673 4.350 0.002 0.000 0.261 430 E C -0.598 176.104 176.600 0.170 0.000 0.974 430 E CA 0.084 56.553 56.400 0.116 0.000 0.936 430 E CB 0.602 30.345 29.700 0.072 0.000 0.926 430 E HN 0.254 nan 8.360 nan 0.000 0.459 431 L N 3.339 124.702 121.223 0.234 0.000 2.362 431 L HA 0.669 5.010 4.340 0.002 0.000 0.275 431 L C -0.634 176.451 176.870 0.358 0.000 0.998 431 L CA -0.490 54.514 54.840 0.273 0.000 0.820 431 L CB 1.660 43.881 42.059 0.270 0.000 1.270 431 L HN 0.657 nan 8.230 nan 0.000 0.415 432 A N 3.483 126.482 122.820 0.298 0.000 2.337 432 A HA 0.937 5.258 4.320 0.002 0.000 0.329 432 A C -1.134 176.561 177.584 0.184 0.000 1.146 432 A CA -0.367 51.788 52.037 0.197 0.000 0.800 432 A CB 0.987 20.086 19.000 0.165 0.000 1.220 432 A HN 0.622 nan 8.150 nan 0.000 0.472 433 F N -0.210 119.716 119.950 -0.040 0.000 2.693 433 F HA 0.819 5.347 4.527 0.002 0.000 0.309 433 F C -0.707 175.058 175.800 -0.058 0.000 1.129 433 F CA -0.663 57.319 58.000 -0.030 0.000 0.948 433 F CB 1.351 40.334 39.000 -0.029 0.000 1.315 433 F HN 0.653 nan 8.300 nan 0.000 0.447 434 S N 2.424 118.155 115.700 0.051 0.000 2.614 434 S HA 0.790 5.261 4.470 0.002 0.000 0.275 434 S C -1.654 173.031 174.600 0.143 0.000 1.161 434 S CA -0.550 57.639 58.200 -0.019 0.000 0.969 434 S CB 0.905 64.083 63.200 -0.037 0.000 1.059 434 S HN 0.740 nan 8.310 nan 0.000 0.482 435 I N 4.494 125.150 120.570 0.143 0.000 2.439 435 I HA 0.501 4.672 4.170 0.002 0.000 0.285 435 I C -1.019 175.138 176.117 0.067 0.000 1.021 435 I CA -0.955 60.412 61.300 0.112 0.000 1.091 435 I CB 1.999 40.067 38.000 0.112 0.000 1.242 435 I HN 0.331 nan 8.210 nan 0.000 0.439 436 V N 5.714 125.664 119.914 0.059 0.000 2.487 436 V HA 0.463 4.584 4.120 0.002 0.000 0.298 436 V C -0.415 175.713 176.094 0.057 0.000 1.028 436 V CA -0.691 61.641 62.300 0.053 0.000 0.860 436 V CB 1.980 33.836 31.823 0.055 0.000 0.991 436 V HN 0.652 nan 8.190 nan 0.000 0.427 437 N N 3.998 122.739 118.700 0.068 0.000 2.399 437 N HA 0.480 5.221 4.740 0.002 0.000 0.280 437 N C -1.121 174.502 175.510 0.188 0.000 1.008 437 N CA -0.378 52.737 53.050 0.109 0.000 0.894 437 N CB 2.121 40.634 38.487 0.043 0.000 1.273 437 N HN 0.724 nan 8.380 nan 0.000 0.486 438 N N 0.048 118.837 118.700 0.148 0.000 2.352 438 N HA 0.435 5.176 4.740 0.002 0.000 0.291 438 N C 0.298 175.832 175.510 0.041 0.000 1.040 438 N CA -0.470 52.624 53.050 0.073 0.000 0.864 438 N CB 2.314 40.821 38.487 0.032 0.000 1.440 438 N HN 0.700 nan 8.380 nan 0.000 0.483 439 G N 1.148 109.898 108.800 -0.083 0.000 2.184 439 G HA2 -0.223 3.738 3.960 0.002 0.000 0.206 439 G HA3 -0.223 3.738 3.960 0.002 0.000 0.206 439 G C -0.041 174.816 174.900 -0.071 0.000 0.995 439 G CA -0.320 44.734 45.100 -0.076 0.000 0.651 439 G HN 0.822 nan 8.290 nan 0.000 0.511 440 H N 0.602 119.675 119.070 0.005 0.000 2.871 440 H HA 0.521 5.078 4.556 0.002 0.000 0.355 440 H C 1.010 176.340 175.328 0.004 0.000 1.092 440 H CA 0.545 56.594 56.048 0.003 0.000 1.420 440 H CB 0.871 30.633 29.762 -0.001 0.000 1.400 440 H HN 0.013 nan 8.280 nan 0.000 0.604 441 S N 1.628 117.373 115.700 0.076 0.000 2.501 441 S HA 0.124 4.595 4.470 0.002 0.000 0.220 441 S C 1.373 175.999 174.600 0.043 0.000 0.997 441 S CA 0.256 58.471 58.200 0.025 0.000 0.919 441 S CB 0.290 63.503 63.200 0.021 0.000 0.778 441 S HN 0.893 nan 8.310 nan 0.000 0.523 442 G N 1.559 110.416 108.800 0.095 0.000 3.194 442 G HA2 0.557 4.518 3.960 0.002 0.000 0.160 442 G HA3 0.557 4.518 3.960 0.002 0.000 0.160 442 G C -2.770 172.208 174.900 0.130 0.000 1.267 442 G CA -0.912 44.236 45.100 0.081 0.000 0.962 442 G HN 0.161 nan 8.290 nan 0.000 0.612 443 P HA 0.441 nan 4.420 nan 0.000 0.274 443 P C -0.263 177.076 177.300 0.064 0.000 1.246 443 P CA -0.186 62.955 63.100 0.069 0.000 0.795 443 P CB 0.621 32.333 31.700 0.018 0.000 1.006 444 A N 3.131 125.967 122.820 0.026 0.000 2.548 444 A HA 0.179 4.500 4.320 0.002 0.000 0.247 444 A C -1.497 175.971 177.584 -0.194 0.000 1.067 444 A CA -0.663 51.310 52.037 -0.105 0.000 0.757 444 A CB -1.006 17.970 19.000 -0.039 0.000 0.996 444 A HN 0.446 nan 8.150 nan 0.000 0.504 445 P HA 0.059 nan 4.420 nan 0.000 0.249 445 P C 0.796 178.004 177.300 -0.154 0.000 1.686 445 P CA 0.032 62.991 63.100 -0.235 0.000 0.873 445 P CB -0.097 31.424 31.700 -0.298 0.000 1.828 446 L N 0.268 121.422 121.223 -0.117 0.000 2.042 446 L HA -0.172 4.170 4.340 0.002 0.000 0.210 446 L C 2.562 179.388 176.870 -0.073 0.000 1.076 446 L CA 1.800 56.590 54.840 -0.083 0.000 0.749 446 L CB -1.155 40.866 42.059 -0.064 0.000 0.893 446 L HN 0.099 nan 8.230 nan 0.000 0.432 447 A N -0.532 122.246 122.820 -0.069 0.000 2.067 447 A HA -0.066 4.255 4.320 0.002 0.000 0.219 447 A C 2.257 179.799 177.584 -0.070 0.000 1.158 447 A CA 1.272 53.272 52.037 -0.062 0.000 0.661 447 A CB -0.482 18.487 19.000 -0.051 0.000 0.801 447 A HN 0.242 nan 8.150 nan 0.000 0.452 448 V N -0.547 119.319 119.914 -0.080 0.000 2.535 448 V HA -0.214 3.907 4.120 0.002 0.000 0.246 448 V C 2.476 178.513 176.094 -0.095 0.000 1.045 448 V CA 1.784 64.034 62.300 -0.084 0.000 1.058 448 V CB -0.770 31.002 31.823 -0.085 0.000 0.689 448 V HN 0.614 nan 8.190 nan 0.000 0.461 449 Q N -0.043 119.703 119.800 -0.091 0.000 2.084 449 Q HA -0.209 4.132 4.340 0.002 0.000 0.202 449 Q C 2.006 177.941 176.000 -0.109 0.000 0.978 449 Q CA 1.732 57.483 55.803 -0.087 0.000 0.844 449 Q CB -0.233 28.472 28.738 -0.055 0.000 0.898 449 Q HN 0.593 nan 8.270 nan 0.000 0.426 450 D N 0.674 121.019 120.400 -0.092 0.000 2.144 450 D HA -0.129 4.512 4.640 0.002 0.000 0.199 450 D C 1.822 178.055 176.300 -0.112 0.000 0.984 450 D CA 1.269 55.213 54.000 -0.095 0.000 0.834 450 D CB -0.203 40.555 40.800 -0.070 0.000 0.955 450 D HN 0.256 nan 8.370 nan 0.000 0.465 451 A N 0.947 123.705 122.820 -0.103 0.000 1.908 451 A HA -0.174 4.147 4.320 0.002 0.000 0.218 451 A C 2.386 179.888 177.584 -0.136 0.000 1.181 451 A CA 1.065 53.041 52.037 -0.102 0.000 0.627 451 A CB -0.734 18.213 19.000 -0.089 0.000 0.818 451 A HN 0.198 nan 8.150 nan 0.000 0.445 452 I N -0.449 120.017 120.570 -0.174 0.000 2.202 452 I HA -0.249 3.922 4.170 0.002 0.000 0.242 452 I C 3.008 178.946 176.117 -0.298 0.000 1.091 452 I CA 1.018 62.176 61.300 -0.238 0.000 1.368 452 I CB -0.438 37.405 38.000 -0.262 0.000 1.058 452 I HN 0.352 nan 8.210 nan 0.000 0.410 453 A N 0.525 123.137 122.820 -0.346 0.000 1.908 453 A HA -0.174 4.147 4.320 0.002 0.000 0.218 453 A C 2.452 179.896 177.584 -0.233 0.000 1.181 453 A CA 1.909 53.694 52.037 -0.420 0.000 0.627 453 A CB -1.047 17.741 19.000 -0.354 0.000 0.818 453 A HN 0.248 nan 8.150 nan 0.000 0.445 454 V N -0.109 119.712 119.914 -0.155 0.000 2.295 454 V HA -0.255 3.866 4.120 0.002 0.000 0.246 454 V C 2.687 178.743 176.094 -0.063 0.000 1.049 454 V CA 2.423 64.669 62.300 -0.090 0.000 1.024 454 V CB -0.785 30.997 31.823 -0.068 0.000 0.648 454 V HN 0.629 nan 8.190 nan 0.000 0.447 455 R N 0.233 120.681 120.500 -0.086 0.000 2.105 455 R HA -0.109 4.232 4.340 0.002 0.000 0.239 455 R C 2.031 178.321 176.300 -0.017 0.000 1.135 455 R CA 1.701 57.768 56.100 -0.054 0.000 0.967 455 R CB -0.772 29.469 30.300 -0.099 0.000 0.861 455 R HN 0.511 nan 8.270 nan 0.000 0.442 456 L N -0.561 120.614 121.223 -0.081 0.000 2.083 456 L HA -0.074 4.267 4.340 0.002 0.000 0.209 456 L C 2.420 179.357 176.870 0.111 0.000 1.083 456 L CA 1.308 56.135 54.840 -0.021 0.000 0.752 456 L CB -0.570 41.394 42.059 -0.159 0.000 0.899 456 L HN 0.294 nan 8.230 nan 0.000 0.433 457 A N 0.004 122.862 122.820 0.064 0.000 1.897 457 A HA -0.160 4.161 4.320 0.002 0.000 0.215 457 A C 2.141 179.839 177.584 0.189 0.000 1.181 457 A CA 1.198 53.321 52.037 0.143 0.000 0.620 457 A CB -0.314 18.708 19.000 0.037 0.000 0.821 457 A HN 0.430 nan 8.150 nan 0.000 0.443 458 E N -1.720 118.554 120.200 0.124 0.000 2.204 458 E HA -0.193 4.158 4.350 0.002 0.000 0.194 458 E C 1.749 178.419 176.600 0.118 0.000 0.989 458 E CA 1.342 57.805 56.400 0.105 0.000 0.824 458 E CB -0.254 29.488 29.700 0.071 0.000 0.756 458 E HN 0.807 nan 8.360 nan 0.000 0.477 459 Y N 1.018 121.330 120.300 0.019 0.000 2.243 459 Y HA 0.023 4.574 4.550 0.002 0.000 0.293 459 Y C 2.107 178.019 175.900 0.020 0.000 1.124 459 Y CA 1.103 59.212 58.100 0.015 0.000 1.159 459 Y CB -0.132 38.335 38.460 0.011 0.000 1.008 459 Y HN -0.052 nan 8.280 nan 0.000 0.527 460 A N 0.144 123.049 122.820 0.141 0.000 2.255 460 A HA 0.278 4.599 4.320 0.002 0.000 0.206 460 A C 1.449 178.972 177.584 -0.102 0.000 1.193 460 A CA 0.855 52.925 52.037 0.056 0.000 0.794 460 A CB -1.701 17.429 19.000 0.217 0.000 0.794 460 A HN 0.980 nan 8.150 nan 0.000 0.481 461 G N -0.428 108.294 108.800 -0.130 0.000 2.401 461 G HA2 -0.145 3.816 3.960 0.002 0.000 0.283 461 G HA3 -0.145 3.816 3.960 0.002 0.000 0.283 461 G C -0.340 174.347 174.900 -0.355 0.000 1.117 461 G CA 0.176 45.147 45.100 -0.215 0.000 1.051 461 G HN 0.699 nan 8.290 nan 0.000 0.510 462 H N -0.605 118.463 119.070 -0.004 0.000 2.946 462 H HA 0.673 5.230 4.556 0.002 0.000 0.365 462 H C 0.107 175.436 175.328 0.001 0.000 1.197 462 H CA -0.279 55.771 56.048 0.002 0.000 1.131 462 H CB 2.052 31.821 29.762 0.011 0.000 1.849 462 H HN 0.514 nan 8.280 nan 0.000 0.555 463 Q N -0.156 119.735 119.800 0.152 0.000 2.511 463 Q HA 0.545 4.886 4.340 0.002 0.000 0.289 463 Q C -0.942 175.092 176.000 0.056 0.000 1.021 463 Q CA -1.201 54.647 55.803 0.076 0.000 0.785 463 Q CB 3.013 31.777 28.738 0.045 0.000 1.472 463 Q HN 0.754 nan 8.270 nan 0.000 0.411 464 A N 2.893 125.732 122.820 0.032 0.000 2.563 464 A HA 0.164 4.485 4.320 0.002 0.000 0.256 464 A C -1.589 176.008 177.584 0.021 0.000 1.056 464 A CA -0.465 51.583 52.037 0.018 0.000 0.775 464 A CB -0.909 18.098 19.000 0.011 0.000 0.973 464 A HN 0.403 nan 8.150 nan 0.000 0.516 465 P HA 0.535 nan 4.420 nan 0.000 0.281 465 P C 0.034 177.343 177.300 0.014 0.000 1.274 465 P CA 0.831 63.942 63.100 0.019 0.000 0.794 465 P CB 0.446 32.153 31.700 0.012 0.000 1.201 466 E N 0.000 120.208 120.200 0.014 0.000 2.725 466 E HA 0.000 4.351 4.350 0.002 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440