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 1w79_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 0.000 176.455 176.300 0.258 0.000 0.893 1 R CA 0.000 56.195 56.100 0.159 0.000 0.921 1 R CB 0.000 30.356 30.300 0.094 0.000 0.687 2 L N 1.432 122.764 121.223 0.182 0.000 2.027 2 L HA -0.131 4.210 4.340 0.002 0.000 0.206 2 L C 2.621 179.531 176.870 0.066 0.000 1.074 2 L CA 2.618 57.522 54.840 0.106 0.000 0.745 2 L CB -0.581 41.518 42.059 0.067 0.000 0.898 2 L HN 0.994 nan 8.230 nan 0.000 0.433 3 T N -2.491 112.100 114.554 0.063 0.000 2.620 3 T HA -0.371 3.980 4.350 0.002 0.000 0.267 3 T C 1.616 176.348 174.700 0.053 0.000 1.044 3 T CA 1.934 64.063 62.100 0.048 0.000 1.161 3 T CB -0.586 68.306 68.868 0.040 0.000 0.862 3 T HN 0.451 nan 8.240 nan 0.000 0.438 4 E N 0.591 120.832 120.200 0.068 0.000 2.058 4 E HA -0.149 4.202 4.350 0.002 0.000 0.194 4 E C 2.235 178.869 176.600 0.056 0.000 0.997 4 E CA 1.238 57.678 56.400 0.066 0.000 0.801 4 E CB -0.309 29.441 29.700 0.083 0.000 0.746 4 E HN 0.447 nan 8.360 nan 0.000 0.450 5 L N 1.326 122.582 121.223 0.056 0.000 2.012 5 L HA -0.176 4.165 4.340 0.002 0.000 0.210 5 L C 2.387 179.247 176.870 -0.017 0.000 1.073 5 L CA 1.857 56.676 54.840 -0.036 0.000 0.748 5 L CB -0.389 41.498 42.059 -0.286 0.000 0.891 5 L HN 0.035 nan 8.230 nan 0.000 0.431 6 R N -0.459 120.071 120.500 0.049 0.000 2.105 6 R HA -0.163 4.178 4.340 0.002 0.000 0.239 6 R C 2.167 178.563 176.300 0.160 0.000 1.135 6 R CA 1.820 58.031 56.100 0.186 0.000 0.967 6 R CB -0.376 29.995 30.300 0.119 0.000 0.861 6 R HN 0.557 nan 8.270 nan 0.000 0.442 7 E N 0.240 120.488 120.200 0.079 0.000 2.106 7 E HA -0.155 4.196 4.350 0.002 0.000 0.192 7 E C 1.416 178.039 176.600 0.037 0.000 0.984 7 E CA 1.027 57.462 56.400 0.058 0.000 0.806 7 E CB 0.028 29.752 29.700 0.039 0.000 0.750 7 E HN 0.316 nan 8.360 nan 0.000 0.458 8 D N 0.711 121.120 120.400 0.014 0.000 2.144 8 D HA -0.109 4.532 4.640 0.002 0.000 0.200 8 D C 1.973 178.241 176.300 -0.053 0.000 0.978 8 D CA 0.842 54.832 54.000 -0.016 0.000 0.833 8 D CB -0.079 40.708 40.800 -0.021 0.000 0.961 8 D HN 0.214 nan 8.370 nan 0.000 0.470 9 I N 1.045 121.559 120.570 -0.093 0.000 2.353 9 I HA -0.189 3.982 4.170 0.002 0.000 0.248 9 I C 1.836 177.885 176.117 -0.112 0.000 1.119 9 I CA 0.786 61.952 61.300 -0.223 0.000 1.417 9 I CB -0.103 37.542 38.000 -0.592 0.000 1.078 9 I HN -0.153 nan 8.210 nan 0.000 0.421 10 D N 1.433 121.863 120.400 0.049 0.000 2.104 10 D HA -0.176 4.465 4.640 0.002 0.000 0.194 10 D C 2.283 178.603 176.300 0.032 0.000 0.994 10 D CA 1.747 55.808 54.000 0.102 0.000 0.830 10 D CB -0.133 40.737 40.800 0.118 0.000 0.959 10 D HN 0.331 nan 8.370 nan 0.000 0.452 11 A N 0.721 123.548 122.820 0.012 0.000 1.933 11 A HA -0.142 4.178 4.320 0.002 0.000 0.218 11 A C 2.414 179.988 177.584 -0.018 0.000 1.175 11 A CA 0.911 52.947 52.037 -0.001 0.000 0.628 11 A CB -0.708 18.290 19.000 -0.003 0.000 0.814 11 A HN 0.215 nan 8.150 nan 0.000 0.444 12 I N -0.380 120.165 120.570 -0.041 0.000 2.286 12 I HA -0.228 3.943 4.170 0.002 0.000 0.248 12 I C 1.929 178.016 176.117 -0.049 0.000 1.115 12 I CA 1.022 62.288 61.300 -0.056 0.000 1.392 12 I CB -0.259 37.686 38.000 -0.092 0.000 1.065 12 I HN 0.258 nan 8.210 nan 0.000 0.418 13 L N 0.419 121.616 121.223 -0.044 0.000 2.622 13 L HA -0.090 4.251 4.340 0.002 0.000 0.233 13 L C 1.480 178.347 176.870 -0.005 0.000 1.156 13 L CA 0.472 55.298 54.840 -0.024 0.000 0.866 13 L CB -0.350 41.709 42.059 0.001 0.000 0.980 13 L HN 0.200 nan 8.230 nan 0.000 0.448 14 E N 0.076 120.273 120.200 -0.005 0.000 2.368 14 E HA 0.016 4.367 4.350 0.002 0.000 0.188 14 E C -0.181 176.416 176.600 -0.004 0.000 1.061 14 E CA 0.030 56.431 56.400 0.002 0.000 0.933 14 E CB -0.208 29.495 29.700 0.005 0.000 1.091 14 E HN 0.393 nan 8.360 nan 0.000 0.458 15 D N 0.436 120.829 120.400 -0.012 0.000 2.414 15 D HA 0.013 4.654 4.640 0.002 0.000 0.242 15 D C -1.503 174.793 176.300 -0.008 0.000 1.129 15 D CA -1.571 52.420 54.000 -0.016 0.000 0.885 15 D CB 1.413 42.196 40.800 -0.029 0.000 1.198 15 D HN -0.162 nan 8.370 nan 0.000 0.437 16 P HA -0.114 nan 4.420 nan 0.000 0.219 16 P C 0.636 177.940 177.300 0.007 0.000 1.146 16 P CA 0.979 64.080 63.100 0.002 0.000 0.808 16 P CB 0.121 31.821 31.700 0.001 0.000 0.779 17 A N -0.857 121.961 122.820 -0.003 0.000 2.070 17 A HA -0.087 4.234 4.320 0.002 0.000 0.220 17 A C 1.807 179.397 177.584 0.009 0.000 1.159 17 A CA 1.121 53.156 52.037 -0.003 0.000 0.656 17 A CB -1.259 17.720 19.000 -0.034 0.000 0.800 17 A HN 0.187 nan 8.150 nan 0.000 0.453 18 L N -0.348 120.877 121.223 0.004 0.000 2.741 18 L HA 0.169 4.510 4.340 0.002 0.000 0.237 18 L C 0.255 177.150 176.870 0.040 0.000 1.178 18 L CA -0.402 54.451 54.840 0.021 0.000 0.973 18 L CB -0.050 42.007 42.059 -0.002 0.000 1.255 18 L HN 0.230 nan 8.230 nan 0.000 0.498 19 E N 0.993 121.216 120.200 0.037 0.000 2.493 19 E HA 0.159 4.510 4.350 0.002 0.000 0.255 19 E C 1.262 177.887 176.600 0.042 0.000 0.999 19 E CA 1.049 57.469 56.400 0.033 0.000 0.934 19 E CB 0.331 30.047 29.700 0.027 0.000 0.940 19 E HN 0.337 nan 8.360 nan 0.000 0.473 20 G N 2.591 111.412 108.800 0.035 0.000 2.166 20 G HA2 -0.253 3.708 3.960 0.002 0.000 0.260 20 G HA3 -0.253 3.708 3.960 0.002 0.000 0.260 20 G C 0.312 175.238 174.900 0.043 0.000 0.986 20 G CA 0.341 45.461 45.100 0.033 0.000 0.683 20 G HN 0.805 nan 8.290 nan 0.000 0.527 21 A N -1.234 121.623 122.820 0.060 0.000 2.269 21 A HA 0.900 5.221 4.320 0.002 0.000 0.327 21 A C 0.014 177.637 177.584 0.066 0.000 1.112 21 A CA -0.114 51.972 52.037 0.082 0.000 0.865 21 A CB 1.800 20.886 19.000 0.144 0.000 1.227 21 A HN 1.119 nan 8.150 nan 0.000 0.498 22 V N 0.865 120.823 119.914 0.073 0.000 2.417 22 V HA 0.575 4.696 4.120 0.002 0.000 0.291 22 V C -0.178 175.956 176.094 0.067 0.000 1.024 22 V CA -0.300 62.036 62.300 0.059 0.000 0.861 22 V CB 1.435 33.287 31.823 0.048 0.000 0.985 22 V HN 0.772 nan 8.190 nan 0.000 0.436 23 S N 2.841 118.576 115.700 0.058 0.000 2.707 23 S HA 0.599 5.070 4.470 0.002 0.000 0.303 23 S C 0.255 174.895 174.600 0.067 0.000 1.132 23 S CA -0.558 57.675 58.200 0.057 0.000 1.046 23 S CB 1.658 64.883 63.200 0.042 0.000 1.004 23 S HN 1.056 nan 8.310 nan 0.000 0.483 24 G N 1.797 110.637 108.800 0.066 0.000 2.333 24 G HA2 0.540 4.501 3.960 0.002 0.000 0.290 24 G HA3 0.540 4.501 3.960 0.002 0.000 0.290 24 G C -0.783 174.172 174.900 0.092 0.000 1.150 24 G CA -0.347 44.799 45.100 0.076 0.000 0.895 24 G HN 0.587 nan 8.290 nan 0.000 0.444 25 V N 3.251 123.244 119.914 0.131 0.000 2.482 25 V HA 0.457 4.578 4.120 0.002 0.000 0.295 25 V C -0.471 175.759 176.094 0.227 0.000 1.026 25 V CA -0.656 61.738 62.300 0.157 0.000 0.856 25 V CB 1.698 33.599 31.823 0.130 0.000 1.001 25 V HN 0.560 nan 8.190 nan 0.000 0.424 26 V N 5.270 125.293 119.914 0.181 0.000 2.638 26 V HA 0.666 4.787 4.120 0.002 0.000 0.306 26 V C -0.640 175.561 176.094 0.178 0.000 1.052 26 V CA -0.625 61.782 62.300 0.177 0.000 0.885 26 V CB 2.355 34.246 31.823 0.113 0.000 0.999 26 V HN 0.583 nan 8.190 nan 0.000 0.424 27 V N 4.942 124.964 119.914 0.181 0.000 2.577 27 V HA 0.670 4.790 4.120 0.002 0.000 0.303 27 V C -0.637 175.532 176.094 0.124 0.000 1.042 27 V CA -0.529 61.867 62.300 0.160 0.000 0.872 27 V CB 2.087 33.978 31.823 0.113 0.000 0.998 27 V HN 0.609 nan 8.190 nan 0.000 0.423 28 V N 2.746 122.735 119.914 0.125 0.000 2.789 28 V HA 0.473 4.594 4.120 0.002 0.000 0.311 28 V C -0.759 175.410 176.094 0.125 0.000 1.073 28 V CA -0.666 61.698 62.300 0.106 0.000 0.921 28 V CB 2.399 34.277 31.823 0.091 0.000 1.009 28 V HN 0.913 nan 8.190 nan 0.000 0.426 29 D N 2.474 122.942 120.400 0.113 0.000 2.339 29 D HA 0.105 4.746 4.640 0.002 0.000 0.241 29 D C 1.233 177.595 176.300 0.104 0.000 1.183 29 D CA 0.145 54.219 54.000 0.124 0.000 0.859 29 D CB 1.908 42.780 40.800 0.119 0.000 1.067 29 D HN 0.784 nan 8.370 nan 0.000 0.484 30 T N 0.875 115.498 114.554 0.116 0.000 3.160 30 T HA 0.087 4.438 4.350 0.002 0.000 0.257 30 T C 1.436 176.174 174.700 0.063 0.000 1.147 30 T CA 0.562 62.718 62.100 0.094 0.000 1.064 30 T CB 0.195 69.135 68.868 0.120 0.000 0.949 30 T HN 0.286 nan 8.240 nan 0.000 0.526 31 A N 1.453 124.311 122.820 0.062 0.000 2.147 31 A HA 0.271 4.592 4.320 0.002 0.000 0.211 31 A C 2.349 179.955 177.584 0.036 0.000 1.160 31 A CA 0.992 53.054 52.037 0.041 0.000 0.781 31 A CB -0.277 18.747 19.000 0.041 0.000 0.842 31 A HN 0.667 nan 8.150 nan 0.000 0.475 32 T N -6.911 107.670 114.554 0.046 0.000 2.966 32 T HA 0.423 4.774 4.350 0.002 0.000 0.254 32 T C 1.430 176.154 174.700 0.039 0.000 0.961 32 T CA 1.106 63.230 62.100 0.040 0.000 0.915 32 T CB 0.306 69.202 68.868 0.046 0.000 1.186 32 T HN 1.600 nan 8.240 nan 0.000 0.505 33 G N 1.810 110.639 108.800 0.048 0.000 2.176 33 G HA2 -0.272 3.689 3.960 0.002 0.000 0.253 33 G HA3 -0.272 3.689 3.960 0.002 0.000 0.253 33 G C -0.130 174.798 174.900 0.047 0.000 0.979 33 G CA 0.281 45.408 45.100 0.045 0.000 0.641 33 G HN 0.947 nan 8.290 nan 0.000 0.530 34 E N 1.167 121.399 120.200 0.053 0.000 2.366 34 E HA 0.284 4.635 4.350 0.002 0.000 0.266 34 E C 0.052 176.686 176.600 0.056 0.000 1.015 34 E CA -0.168 56.264 56.400 0.053 0.000 0.906 34 E CB 0.182 29.919 29.700 0.062 0.000 0.979 34 E HN 0.465 nan 8.360 nan 0.000 0.443 35 E N 4.976 125.202 120.200 0.043 0.000 2.129 35 E HA 0.045 4.396 4.350 0.002 0.000 0.283 35 E C 0.676 177.298 176.600 0.036 0.000 1.080 35 E CA -0.163 56.263 56.400 0.042 0.000 0.867 35 E CB 0.833 30.549 29.700 0.025 0.000 1.056 35 E HN 0.659 nan 8.360 nan 0.000 0.404 36 L N 3.411 124.663 121.223 0.049 0.000 2.209 36 L HA 0.035 4.376 4.340 0.002 0.000 0.207 36 L C 0.359 177.276 176.870 0.078 0.000 1.094 36 L CA 0.727 55.580 54.840 0.022 0.000 0.790 36 L CB 0.110 42.143 42.059 -0.043 0.000 0.932 36 L HN 0.521 nan 8.230 nan 0.000 0.447 37 Y N -1.134 119.140 120.300 -0.043 0.000 2.519 37 Y HA 0.465 5.016 4.550 0.002 0.000 0.336 37 Y C -0.992 174.904 175.900 -0.007 0.000 1.089 37 Y CA -0.988 57.090 58.100 -0.036 0.000 1.025 37 Y CB 2.052 40.479 38.460 -0.055 0.000 1.318 37 Y HN -0.270 nan 8.280 nan 0.000 0.452 38 S N 5.495 121.026 115.700 -0.282 0.000 2.652 38 S HA 0.568 5.039 4.470 0.002 0.000 0.273 38 S C -1.978 172.516 174.600 -0.178 0.000 1.172 38 S CA -0.671 57.476 58.200 -0.090 0.000 1.009 38 S CB 0.645 63.811 63.200 -0.058 0.000 1.094 38 S HN 0.814 nan 8.310 nan 0.000 0.471 39 R N 3.449 123.956 120.500 0.011 0.000 2.533 39 R HA 0.353 4.694 4.340 0.002 0.000 0.288 39 R C -0.968 175.368 176.300 0.061 0.000 1.039 39 R CA -0.301 55.813 56.100 0.023 0.000 0.909 39 R CB 0.720 31.094 30.300 0.123 0.000 1.195 39 R HN 0.700 nan 8.270 nan 0.000 0.438 40 D N 2.994 123.413 120.400 0.031 0.000 2.811 40 D HA -0.171 4.470 4.640 0.002 0.000 0.231 40 D C 0.877 177.203 176.300 0.044 0.000 1.157 40 D CA 1.418 55.440 54.000 0.036 0.000 0.716 40 D CB -0.672 40.154 40.800 0.044 0.000 1.077 40 D HN 0.930 nan 8.370 nan 0.000 0.428 41 G N 0.180 109.005 108.800 0.042 0.000 2.470 41 G HA2 -0.032 3.929 3.960 0.002 0.000 0.220 41 G HA3 -0.032 3.929 3.960 0.002 0.000 0.220 41 G C 1.466 176.391 174.900 0.042 0.000 1.121 41 G CA 0.925 46.054 45.100 0.049 0.000 0.766 41 G HN 0.458 nan 8.290 nan 0.000 0.553 42 G N -0.552 108.266 108.800 0.030 0.000 3.126 42 G HA2 0.293 4.254 3.960 0.002 0.000 0.224 42 G HA3 0.293 4.254 3.960 0.002 0.000 0.224 42 G C 0.250 175.164 174.900 0.022 0.000 1.142 42 G CA -0.246 44.869 45.100 0.025 0.000 0.759 42 G HN 0.396 nan 8.290 nan 0.000 0.550 43 E N 0.914 121.130 120.200 0.026 0.000 2.316 43 E HA 0.246 4.597 4.350 0.002 0.000 0.275 43 E C 0.247 176.860 176.600 0.021 0.000 1.029 43 E CA -0.138 56.275 56.400 0.023 0.000 0.871 43 E CB 0.421 30.137 29.700 0.027 0.000 1.022 43 E HN 0.223 nan 8.360 nan 0.000 0.418 44 Q N 3.404 123.212 119.800 0.012 0.000 2.293 44 Q HA 0.363 4.704 4.340 0.002 0.000 0.263 44 Q C -0.717 175.289 176.000 0.009 0.000 1.002 44 Q CA 0.033 55.839 55.803 0.005 0.000 0.910 44 Q CB 0.648 29.383 28.738 -0.005 0.000 1.185 44 Q HN 0.474 nan 8.270 nan 0.000 0.401 45 L N 1.673 122.903 121.223 0.012 0.000 2.376 45 L HA 0.446 4.787 4.340 0.002 0.000 0.258 45 L C -0.871 176.005 176.870 0.011 0.000 1.013 45 L CA -1.186 53.664 54.840 0.017 0.000 0.822 45 L CB 1.431 43.511 42.059 0.034 0.000 1.388 45 L HN 0.360 nan 8.230 nan 0.000 0.413 46 L N 3.315 124.544 121.223 0.009 0.000 2.410 46 L HA 0.170 4.511 4.340 0.002 0.000 0.273 46 L C -1.444 175.436 176.870 0.016 0.000 1.152 46 L CA -0.670 54.170 54.840 0.000 0.000 0.855 46 L CB 0.625 42.678 42.059 -0.010 0.000 1.129 46 L HN 0.459 nan 8.230 nan 0.000 0.463 47 P HA 0.068 nan 4.420 nan 0.000 0.259 47 P C 0.577 177.893 177.300 0.026 0.000 1.233 47 P CA 0.839 63.965 63.100 0.043 0.000 0.827 47 P CB 1.014 32.764 31.700 0.083 0.000 1.154 48 A N 0.727 123.548 122.820 0.001 0.000 5.700 48 A HA -0.242 4.079 4.320 0.002 0.000 0.288 48 A C 1.642 179.224 177.584 -0.002 0.000 2.009 48 A CA 1.370 53.392 52.037 -0.025 0.000 0.716 48 A CB -2.462 16.518 19.000 -0.033 0.000 1.208 48 A HN 0.148 nan 8.150 nan 0.000 0.371 49 S N 0.817 116.504 115.700 -0.021 0.000 2.595 49 S HA -0.058 4.413 4.470 0.002 0.000 0.235 49 S C 1.288 175.889 174.600 0.002 0.000 0.974 49 S CA 1.164 59.360 58.200 -0.006 0.000 0.942 49 S CB -0.707 62.469 63.200 -0.039 0.000 0.766 49 S HN 0.605 nan 8.310 nan 0.000 0.536 50 N N 1.327 120.037 118.700 0.016 0.000 2.520 50 N HA 0.029 4.770 4.740 0.002 0.000 0.185 50 N C 1.363 176.964 175.510 0.151 0.000 1.068 50 N CA 0.346 53.411 53.050 0.026 0.000 0.911 50 N CB -0.259 38.247 38.487 0.032 0.000 0.961 50 N HN 0.305 nan 8.380 nan 0.000 0.446 51 M N 0.765 120.481 119.600 0.193 0.000 2.296 51 M HA -0.019 4.462 4.480 0.002 0.000 0.265 51 M C 1.276 177.779 176.300 0.338 0.000 1.064 51 M CA 1.452 56.950 55.300 0.329 0.000 1.109 51 M CB 0.010 32.722 32.600 0.187 0.000 1.396 51 M HN -0.104 nan 8.290 nan 0.000 0.430 52 K N -0.251 120.259 120.400 0.183 0.000 2.280 52 K HA -0.112 4.209 4.320 0.002 0.000 0.202 52 K C 1.802 178.459 176.600 0.095 0.000 1.047 52 K CA 1.177 57.552 56.287 0.146 0.000 0.942 52 K CB -0.422 32.042 32.500 -0.061 0.000 0.739 52 K HN 0.416 nan 8.250 nan 0.000 0.457 53 L N -0.332 120.910 121.223 0.030 0.000 2.046 53 L HA -0.182 4.159 4.340 0.002 0.000 0.208 53 L C 2.089 179.032 176.870 0.122 0.000 1.077 53 L CA 1.408 56.255 54.840 0.011 0.000 0.747 53 L CB -0.437 41.509 42.059 -0.187 0.000 0.896 53 L HN 0.098 nan 8.230 nan 0.000 0.432 54 F N -0.394 119.674 119.950 0.196 0.000 2.146 54 F HA -0.169 4.359 4.527 0.002 0.000 0.298 54 F C 2.673 178.566 175.800 0.154 0.000 1.096 54 F CA 1.465 59.557 58.000 0.154 0.000 1.275 54 F CB -1.121 37.942 39.000 0.104 0.000 1.008 54 F HN -0.040 nan 8.300 nan 0.000 0.480 55 T N -0.001 114.776 114.554 0.372 0.000 2.746 55 T HA -0.185 4.166 4.350 0.002 0.000 0.267 55 T C 2.299 177.170 174.700 0.285 0.000 1.039 55 T CA 1.335 63.619 62.100 0.306 0.000 1.142 55 T CB -0.668 68.414 68.868 0.358 0.000 0.866 55 T HN 0.298 nan 8.240 nan 0.000 0.444 56 A N 1.467 124.496 122.820 0.348 0.000 1.902 56 A HA 0.179 4.500 4.320 0.002 0.000 0.217 56 A C 2.655 180.316 177.584 0.129 0.000 1.181 56 A CA 1.807 54.048 52.037 0.342 0.000 0.623 56 A CB -1.126 18.070 19.000 0.327 0.000 0.818 56 A HN 0.503 nan 8.150 nan 0.000 0.443 57 A N -0.072 122.814 122.820 0.109 0.000 1.877 57 A HA 0.143 4.464 4.320 0.002 0.000 0.216 57 A C 2.527 179.975 177.584 -0.227 0.000 1.186 57 A CA 2.206 54.068 52.037 -0.291 0.000 0.620 57 A CB -1.085 17.794 19.000 -0.202 0.000 0.822 57 A HN 1.071 nan 8.150 nan 0.000 0.443 58 A N -0.159 122.650 122.820 -0.018 0.000 1.902 58 A HA 0.147 4.468 4.320 0.002 0.000 0.217 58 A C 2.518 180.074 177.584 -0.047 0.000 1.181 58 A CA 2.171 54.210 52.037 0.004 0.000 0.623 58 A CB -1.068 17.975 19.000 0.072 0.000 0.818 58 A HN 1.101 nan 8.150 nan 0.000 0.443 59 A N -0.266 122.536 122.820 -0.030 0.000 1.908 59 A HA -0.082 4.239 4.320 0.002 0.000 0.218 59 A C 2.167 179.674 177.584 -0.128 0.000 1.181 59 A CA 1.603 53.619 52.037 -0.035 0.000 0.627 59 A CB -0.610 18.419 19.000 0.047 0.000 0.818 59 A HN 0.484 nan 8.150 nan 0.000 0.445 60 L N -0.908 120.139 121.223 -0.293 0.000 2.093 60 L HA -0.126 4.215 4.340 0.002 0.000 0.208 60 L C 2.647 179.308 176.870 -0.349 0.000 1.085 60 L CA 1.034 55.587 54.840 -0.479 0.000 0.755 60 L CB -0.444 40.924 42.059 -1.152 0.000 0.904 60 L HN 0.336 nan 8.230 nan 0.000 0.435 61 E N -0.152 119.901 120.200 -0.244 0.000 2.072 61 E HA -0.128 4.223 4.350 0.002 0.000 0.190 61 E C 2.325 178.932 176.600 0.012 0.000 0.982 61 E CA 1.125 57.539 56.400 0.024 0.000 0.803 61 E CB -0.065 29.689 29.700 0.089 0.000 0.755 61 E HN 0.286 nan 8.360 nan 0.000 0.453 62 V N 1.004 120.899 119.914 -0.032 0.000 2.379 62 V HA -0.133 3.988 4.120 0.002 0.000 0.243 62 V C 2.392 178.442 176.094 -0.074 0.000 1.035 62 V CA 1.111 63.390 62.300 -0.035 0.000 1.035 62 V CB -0.292 31.509 31.823 -0.037 0.000 0.673 62 V HN 0.142 nan 8.190 nan 0.000 0.457 63 L N -0.312 120.833 121.223 -0.129 0.000 2.298 63 L HA 0.478 4.819 4.340 0.002 0.000 0.209 63 L C 1.113 177.929 176.870 -0.091 0.000 1.084 63 L CA 0.846 55.536 54.840 -0.249 0.000 0.816 63 L CB -0.437 41.352 42.059 -0.450 0.000 0.967 63 L HN 0.528 nan 8.230 nan 0.000 0.460 64 G N -0.705 108.069 108.800 -0.043 0.000 2.712 64 G HA2 -0.054 3.907 3.960 0.002 0.000 0.686 64 G HA3 -0.054 3.907 3.960 0.002 0.000 0.686 64 G C 0.421 175.347 174.900 0.044 0.000 1.181 64 G CA -0.375 44.741 45.100 0.026 0.000 0.762 64 G HN 0.177 nan 8.290 nan 0.000 0.641 65 A N 0.480 123.341 122.820 0.068 0.000 2.125 65 A HA 0.096 4.417 4.320 0.002 0.000 0.219 65 A C 1.967 179.601 177.584 0.084 0.000 1.156 65 A CA 2.237 54.327 52.037 0.089 0.000 0.671 65 A CB -0.217 18.872 19.000 0.147 0.000 0.794 65 A HN 1.291 nan 8.150 nan 0.000 0.459 66 D N -1.758 118.684 120.400 0.070 0.000 2.349 66 D HA -0.014 4.627 4.640 0.002 0.000 0.214 66 D C 0.415 176.710 176.300 -0.008 0.000 1.063 66 D CA -0.352 53.669 54.000 0.033 0.000 0.847 66 D CB -0.703 40.113 40.800 0.026 0.000 0.933 66 D HN 0.532 nan 8.370 nan 0.000 0.513 67 H N 1.435 120.446 119.070 -0.099 0.000 2.848 67 H HA 0.253 4.810 4.556 0.002 0.000 0.341 67 H C -0.046 175.097 175.328 -0.309 0.000 1.060 67 H CA 0.299 56.215 56.048 -0.220 0.000 1.444 67 H CB 0.704 30.307 29.762 -0.266 0.000 1.446 67 H HN 0.040 nan 8.280 nan 0.000 0.583 68 S N 3.759 118.909 115.700 -0.916 0.000 2.599 68 S HA 0.580 5.051 4.470 0.002 0.000 0.294 68 S C -1.214 172.817 174.600 -0.949 0.000 1.094 68 S CA -0.977 56.836 58.200 -0.646 0.000 0.931 68 S CB 1.326 64.309 63.200 -0.363 0.000 1.093 68 S HN 0.389 nan 8.310 nan 0.000 0.488 69 F N 0.478 120.256 119.950 -0.287 0.000 2.480 69 F HA 0.756 5.284 4.527 0.002 0.000 0.329 69 F C 0.966 176.595 175.800 -0.285 0.000 1.091 69 F CA -0.371 57.479 58.000 -0.249 0.000 0.972 69 F CB 1.981 40.887 39.000 -0.157 0.000 1.150 69 F HN 0.967 nan 8.300 nan 0.000 0.467 70 G N 0.414 109.119 108.800 -0.158 0.000 2.454 70 G HA2 0.669 4.630 3.960 0.002 0.000 0.329 70 G HA3 0.669 4.630 3.960 0.002 0.000 0.329 70 G C -1.359 173.425 174.900 -0.193 0.000 1.177 70 G CA -0.655 44.325 45.100 -0.200 0.000 0.951 70 G HN 0.540 nan 8.290 nan 0.000 0.485 71 T N 0.684 115.157 114.554 -0.135 0.000 2.933 71 T HA 0.608 4.959 4.350 0.002 0.000 0.305 71 T C -0.868 173.773 174.700 -0.099 0.000 1.092 71 T CA -0.532 61.494 62.100 -0.123 0.000 1.008 71 T CB 2.271 71.103 68.868 -0.060 0.000 1.102 71 T HN 0.608 nan 8.240 nan 0.000 0.469 72 E N 0.675 120.804 120.200 -0.119 0.000 2.449 72 E HA 0.679 5.030 4.350 0.002 0.000 0.278 72 E C -1.494 175.055 176.600 -0.085 0.000 0.992 72 E CA -1.036 55.315 56.400 -0.082 0.000 0.807 72 E CB 2.448 32.108 29.700 -0.067 0.000 1.350 72 E HN 0.253 nan 8.360 nan 0.000 0.462 73 V N 0.886 120.783 119.914 -0.029 0.000 2.487 73 V HA 0.762 4.883 4.120 0.002 0.000 0.298 73 V C -0.706 175.455 176.094 0.110 0.000 1.028 73 V CA -0.529 61.784 62.300 0.022 0.000 0.860 73 V CB 1.269 33.123 31.823 0.052 0.000 0.991 73 V HN 0.772 nan 8.190 nan 0.000 0.427 74 A N 3.677 126.616 122.820 0.198 0.000 2.454 74 A HA 1.054 5.375 4.320 0.002 0.000 0.302 74 A C -0.464 177.377 177.584 0.429 0.000 1.079 74 A CA -0.215 51.980 52.037 0.263 0.000 0.731 74 A CB 2.061 21.215 19.000 0.256 0.000 1.299 74 A HN 1.480 nan 8.150 nan 0.000 0.413 75 A N -0.139 122.842 122.820 0.268 0.000 2.479 75 A HA 0.684 5.005 4.320 0.002 0.000 0.296 75 A C 0.548 177.778 177.584 -0.590 0.000 1.121 75 A CA 0.183 52.241 52.037 0.035 0.000 0.743 75 A CB 1.008 20.014 19.000 0.010 0.000 1.323 75 A HN 1.016 nan 8.150 nan 0.000 0.415 76 E N 0.230 119.605 120.200 -1.375 0.000 2.160 76 E HA -0.079 4.272 4.350 0.002 0.000 0.195 76 E C 0.516 176.740 176.600 -0.626 0.000 0.991 76 E CA 1.568 57.032 56.400 -1.561 0.000 0.810 76 E CB 0.022 28.869 29.700 -1.421 0.000 0.742 76 E HN 0.827 nan 8.360 nan 0.000 0.466 77 S N -1.923 113.548 115.700 -0.382 0.000 2.611 77 S HA 0.643 5.114 4.470 0.002 0.000 0.268 77 S C -0.576 173.950 174.600 -0.123 0.000 1.156 77 S CA -0.763 57.316 58.200 -0.202 0.000 0.817 77 S CB 0.995 64.091 63.200 -0.174 0.000 1.122 77 S HN 0.256 nan 8.310 nan 0.000 0.466 78 A N 1.888 124.663 122.820 -0.076 0.000 2.492 78 A HA 0.591 4.912 4.320 0.002 0.000 0.236 78 A C -2.021 175.539 177.584 -0.040 0.000 1.078 78 A CA -0.802 51.209 52.037 -0.043 0.000 0.773 78 A CB -1.019 17.963 19.000 -0.030 0.000 1.023 78 A HN 0.742 nan 8.150 nan 0.000 0.504 79 P HA 0.151 nan 4.420 nan 0.000 0.268 79 P C 0.537 177.826 177.300 -0.019 0.000 1.205 79 P CA 0.459 63.549 63.100 -0.017 0.000 0.771 79 P CB 0.414 32.111 31.700 -0.006 0.000 0.858 80 G N 2.176 110.965 108.800 -0.019 0.000 2.631 80 G HA2 -0.029 3.932 3.960 0.002 0.000 0.271 80 G HA3 -0.029 3.932 3.960 0.002 0.000 0.271 80 G C 0.987 175.880 174.900 -0.013 0.000 1.302 80 G CA -0.502 44.587 45.100 -0.018 0.000 1.002 80 G HN 0.577 nan 8.290 nan 0.000 0.519 81 R N -0.846 119.647 120.500 -0.011 0.000 2.237 81 R HA 0.001 4.342 4.340 0.002 0.000 0.219 81 R C 2.168 178.464 176.300 -0.008 0.000 1.080 81 R CA 0.865 56.960 56.100 -0.009 0.000 0.995 81 R CB -0.055 30.240 30.300 -0.008 0.000 0.875 81 R HN 0.473 nan 8.270 nan 0.000 0.462 82 R N -0.639 119.857 120.500 -0.008 0.000 2.334 82 R HA 0.062 4.403 4.340 0.002 0.000 0.220 82 R C 0.345 176.641 176.300 -0.006 0.000 0.917 82 R CA 0.673 56.770 56.100 -0.006 0.000 1.073 82 R CB 0.267 30.564 30.300 -0.005 0.000 1.056 82 R HN 0.381 nan 8.270 nan 0.000 0.506 83 G N 1.114 109.911 108.800 -0.007 0.000 2.249 83 G HA2 -0.305 3.656 3.960 0.002 0.000 0.273 83 G HA3 -0.305 3.656 3.960 0.002 0.000 0.273 83 G C -0.472 174.426 174.900 -0.003 0.000 1.036 83 G CA 0.544 45.641 45.100 -0.005 0.000 0.824 83 G HN 0.481 nan 8.290 nan 0.000 0.504 84 E N -1.227 118.971 120.200 -0.004 0.000 2.207 84 E HA 0.686 5.037 4.350 0.002 0.000 0.270 84 E C -0.163 176.437 176.600 -0.000 0.000 0.927 84 E CA -0.901 55.499 56.400 0.000 0.000 0.799 84 E CB 2.581 32.281 29.700 0.001 0.000 1.172 84 E HN 0.133 nan 8.360 nan 0.000 0.404 85 V N 1.675 121.596 119.914 0.011 0.000 3.130 85 V HA 0.128 4.248 4.120 0.002 0.000 0.310 85 V C 0.231 176.346 176.094 0.035 0.000 1.158 85 V CA -0.783 61.524 62.300 0.012 0.000 1.029 85 V CB 1.913 33.753 31.823 0.028 0.000 1.057 85 V HN 0.613 nan 8.190 nan 0.000 0.436 86 Q N 0.953 120.779 119.800 0.044 0.000 1.738 86 Q HA 0.186 4.527 4.340 0.002 0.000 0.471 86 Q C -0.074 176.019 176.000 0.155 0.000 0.931 86 Q CA 1.017 56.873 55.803 0.088 0.000 0.869 86 Q CB 0.002 28.794 28.738 0.088 0.000 1.561 86 Q HN 0.797 nan 8.270 nan 0.000 0.400 87 D N 0.031 120.592 120.400 0.269 0.000 2.253 87 D HA 0.384 5.025 4.640 0.002 0.000 0.249 87 D C -0.946 175.623 176.300 0.448 0.000 1.049 87 D CA -0.266 53.962 54.000 0.380 0.000 0.929 87 D CB 1.200 42.353 40.800 0.588 0.000 1.176 87 D HN 0.195 nan 8.370 nan 0.000 0.437 88 L N 1.966 123.392 121.223 0.339 0.000 2.381 88 L HA 0.448 4.789 4.340 0.002 0.000 0.268 88 L C -1.822 175.212 176.870 0.273 0.000 0.997 88 L CA -0.661 54.401 54.840 0.371 0.000 0.818 88 L CB 1.458 43.667 42.059 0.250 0.000 1.310 88 L HN 0.235 nan 8.230 nan 0.000 0.416 89 Y N 4.319 124.780 120.300 0.267 0.000 2.376 89 Y HA 0.600 5.151 4.550 0.001 0.000 0.340 89 Y C -0.745 175.177 175.900 0.038 0.000 0.965 89 Y CA -0.756 57.436 58.100 0.154 0.000 1.078 89 Y CB 2.035 40.525 38.460 0.050 0.000 1.193 89 Y HN 0.465 nan 8.280 nan 0.000 0.452 90 L N 4.868 126.133 121.223 0.070 0.000 2.262 90 L HA 0.668 5.009 4.340 0.002 0.000 0.288 90 L C -1.287 175.544 176.870 -0.063 0.000 1.035 90 L CA -0.622 54.125 54.840 -0.156 0.000 0.820 90 L CB 0.599 42.452 42.059 -0.342 0.000 1.204 90 L HN 0.396 nan 8.230 nan 0.000 0.424 91 V N 5.052 124.919 119.914 -0.078 0.000 2.347 91 V HA 0.720 4.841 4.120 0.002 0.000 0.280 91 V C 0.746 176.753 176.094 -0.145 0.000 1.021 91 V CA -0.382 61.872 62.300 -0.076 0.000 0.847 91 V CB 1.024 32.806 31.823 -0.068 0.000 0.990 91 V HN 0.879 nan 8.190 nan 0.000 0.444 92 G N 3.643 112.354 108.800 -0.149 0.000 2.371 92 G HA2 0.599 4.560 3.960 0.002 0.000 0.326 92 G HA3 0.599 4.560 3.960 0.002 0.000 0.326 92 G C -0.040 174.659 174.900 -0.335 0.000 1.127 92 G CA -0.687 44.287 45.100 -0.209 0.000 0.885 92 G HN 0.653 nan 8.290 nan 0.000 0.477 93 R N 1.302 121.515 120.500 -0.478 0.000 2.834 93 R HA 0.328 4.669 4.340 0.002 0.000 0.362 93 R C 0.991 176.938 176.300 -0.589 0.000 1.147 93 R CA 0.193 55.726 56.100 -0.945 0.000 1.125 93 R CB 0.888 30.423 30.300 -1.275 0.000 1.361 93 R HN 1.019 nan 8.270 nan 0.000 0.598 94 G N 1.031 109.543 108.800 -0.479 0.000 2.141 94 G HA2 -0.254 3.707 3.960 0.002 0.000 0.242 94 G HA3 -0.254 3.707 3.960 0.002 0.000 0.242 94 G C -0.276 174.376 174.900 -0.414 0.000 0.982 94 G CA 0.054 44.926 45.100 -0.380 0.000 0.662 94 G HN 0.444 nan 8.290 nan 0.000 0.527 95 D N 0.993 121.216 120.400 -0.295 0.000 2.358 95 D HA 0.357 4.998 4.640 0.002 0.000 0.258 95 D C -0.437 175.654 176.300 -0.349 0.000 1.223 95 D CA -1.631 52.169 54.000 -0.334 0.000 0.886 95 D CB 1.231 41.969 40.800 -0.103 0.000 1.120 95 D HN 0.215 nan 8.370 nan 0.000 0.482 96 P HA 0.048 nan 4.420 nan 0.000 0.257 96 P C 0.180 177.322 177.300 -0.264 0.000 1.281 96 P CA 0.287 63.166 63.100 -0.369 0.000 0.826 96 P CB 0.112 31.420 31.700 -0.654 0.000 1.237 97 T N -3.486 110.880 114.554 -0.312 0.000 3.393 97 T HA 0.248 4.599 4.350 0.002 0.000 0.298 97 T C 0.043 174.697 174.700 -0.078 0.000 1.004 97 T CA -0.487 61.370 62.100 -0.406 0.000 0.956 97 T CB -0.665 67.579 68.868 -1.040 0.000 1.182 97 T HN -0.131 nan 8.240 nan 0.000 0.497 98 L N 4.140 125.371 121.223 0.013 0.000 2.385 98 L HA 0.539 4.880 4.340 0.002 0.000 0.281 98 L C 0.454 177.380 176.870 0.094 0.000 1.106 98 L CA 0.041 54.917 54.840 0.059 0.000 0.856 98 L CB 0.279 42.351 42.059 0.022 0.000 1.186 98 L HN 0.495 nan 8.230 nan 0.000 0.453 99 S N 3.670 119.426 115.700 0.093 0.000 2.693 99 S HA 0.665 5.136 4.470 0.002 0.000 0.276 99 S C 1.222 175.842 174.600 0.034 0.000 1.192 99 S CA -0.255 58.004 58.200 0.098 0.000 0.994 99 S CB 1.393 64.665 63.200 0.121 0.000 1.012 99 S HN 0.786 nan 8.310 nan 0.000 0.550 100 A N 0.420 123.264 122.820 0.040 0.000 1.969 100 A HA -0.015 4.306 4.320 0.002 0.000 0.218 100 A C 1.982 179.571 177.584 0.008 0.000 1.169 100 A CA 1.444 53.498 52.037 0.029 0.000 0.635 100 A CB -1.047 17.973 19.000 0.033 0.000 0.810 100 A HN 0.941 nan 8.150 nan 0.000 0.445 101 E N 0.028 120.226 120.200 -0.004 0.000 2.106 101 E HA -0.162 4.189 4.350 0.002 0.000 0.192 101 E C 1.262 177.829 176.600 -0.055 0.000 0.984 101 E CA 1.115 57.503 56.400 -0.019 0.000 0.806 101 E CB -0.112 29.581 29.700 -0.012 0.000 0.750 101 E HN 0.537 nan 8.360 nan 0.000 0.458 102 D N 0.615 120.948 120.400 -0.111 0.000 2.144 102 D HA -0.121 4.520 4.640 0.002 0.000 0.200 102 D C 2.044 178.262 176.300 -0.137 0.000 0.978 102 D CA 0.781 54.614 54.000 -0.278 0.000 0.833 102 D CB -0.059 40.428 40.800 -0.522 0.000 0.961 102 D HN 0.194 nan 8.370 nan 0.000 0.470 103 L N 0.517 121.725 121.223 -0.024 0.000 2.093 103 L HA -0.169 4.172 4.340 0.002 0.000 0.208 103 L C 2.186 179.157 176.870 0.169 0.000 1.085 103 L CA 1.165 56.086 54.840 0.135 0.000 0.755 103 L CB -0.360 41.810 42.059 0.186 0.000 0.904 103 L HN -0.031 nan 8.230 nan 0.000 0.435 104 D N 0.023 120.454 120.400 0.052 0.000 2.117 104 D HA -0.161 4.480 4.640 0.002 0.000 0.198 104 D C 2.207 178.519 176.300 0.020 0.000 0.982 104 D CA 1.193 55.201 54.000 0.013 0.000 0.828 104 D CB 0.188 40.980 40.800 -0.013 0.000 0.967 104 D HN 0.245 nan 8.370 nan 0.000 0.464 105 A N 0.173 122.998 122.820 0.008 0.000 1.908 105 A HA -0.175 4.146 4.320 0.002 0.000 0.218 105 A C 2.293 179.907 177.584 0.050 0.000 1.181 105 A CA 1.518 53.560 52.037 0.010 0.000 0.627 105 A CB -0.646 18.341 19.000 -0.022 0.000 0.818 105 A HN 0.329 nan 8.150 nan 0.000 0.445 106 M N -0.780 118.875 119.600 0.091 0.000 2.229 106 M HA -0.097 4.384 4.480 0.002 0.000 0.264 106 M C 2.480 178.922 176.300 0.236 0.000 1.063 106 M CA 1.185 56.582 55.300 0.161 0.000 1.114 106 M CB -0.360 32.337 32.600 0.163 0.000 1.387 106 M HN 0.497 nan 8.290 nan 0.000 0.420 107 A N 0.407 123.359 122.820 0.221 0.000 1.969 107 A HA -0.018 4.303 4.320 0.002 0.000 0.218 107 A C 2.340 179.919 177.584 -0.008 0.000 1.169 107 A CA 1.773 53.811 52.037 0.001 0.000 0.635 107 A CB -0.729 18.130 19.000 -0.234 0.000 0.810 107 A HN 0.486 nan 8.150 nan 0.000 0.445 108 A N -0.127 122.699 122.820 0.011 0.000 1.930 108 A HA -0.130 4.191 4.320 0.002 0.000 0.217 108 A C 1.903 179.500 177.584 0.020 0.000 1.175 108 A CA 1.487 53.525 52.037 0.002 0.000 0.627 108 A CB -0.447 18.555 19.000 0.003 0.000 0.815 108 A HN 0.622 nan 8.150 nan 0.000 0.443 109 E N -0.279 119.948 120.200 0.045 0.000 2.106 109 E HA -0.108 4.243 4.350 0.002 0.000 0.192 109 E C 1.968 178.600 176.600 0.054 0.000 0.984 109 E CA 1.163 57.592 56.400 0.049 0.000 0.806 109 E CB -0.251 29.486 29.700 0.061 0.000 0.750 109 E HN 0.404 nan 8.360 nan 0.000 0.458 110 V N 1.553 121.513 119.914 0.077 0.000 2.295 110 V HA -0.295 3.826 4.120 0.002 0.000 0.246 110 V C 2.376 178.491 176.094 0.034 0.000 1.049 110 V CA 1.936 64.282 62.300 0.078 0.000 1.024 110 V CB -0.744 31.147 31.823 0.113 0.000 0.648 110 V HN 0.315 nan 8.190 nan 0.000 0.447 111 A N 0.075 122.901 122.820 0.010 0.000 1.877 111 A HA -0.146 4.175 4.320 0.002 0.000 0.216 111 A C 2.415 180.000 177.584 0.002 0.000 1.186 111 A CA 2.150 54.184 52.037 -0.005 0.000 0.620 111 A CB -0.897 18.091 19.000 -0.021 0.000 0.822 111 A HN 0.602 nan 8.150 nan 0.000 0.443 112 A N 0.237 123.062 122.820 0.008 0.000 2.024 112 A HA -0.071 4.250 4.320 0.002 0.000 0.220 112 A C 2.318 179.907 177.584 0.009 0.000 1.164 112 A CA 2.082 54.124 52.037 0.008 0.000 0.643 112 A CB -0.886 18.121 19.000 0.011 0.000 0.806 112 A HN 1.103 nan 8.150 nan 0.000 0.451 113 S N -1.724 113.985 115.700 0.015 0.000 2.607 113 S HA 0.340 4.811 4.470 0.002 0.000 0.224 113 S C 1.344 175.948 174.600 0.008 0.000 0.969 113 S CA 1.111 59.320 58.200 0.014 0.000 0.927 113 S CB -0.453 62.761 63.200 0.024 0.000 0.772 113 S HN 1.931 nan 8.310 nan 0.000 0.533 114 G N -0.152 108.651 108.800 0.005 0.000 2.159 114 G HA2 -0.209 3.752 3.960 0.002 0.000 0.227 114 G HA3 -0.209 3.752 3.960 0.002 0.000 0.227 114 G C -0.059 174.842 174.900 0.000 0.000 0.986 114 G CA -0.139 44.962 45.100 0.001 0.000 0.651 114 G HN 0.661 nan 8.290 nan 0.000 0.523 115 V N 1.341 121.258 119.914 0.004 0.000 2.530 115 V HA 0.514 4.635 4.120 0.002 0.000 0.282 115 V C 1.446 177.537 176.094 -0.006 0.000 1.048 115 V CA 0.289 62.592 62.300 0.004 0.000 0.997 115 V CB 1.531 33.363 31.823 0.015 0.000 0.987 115 V HN 0.350 nan 8.190 nan 0.000 0.477 116 R N 2.071 122.566 120.500 -0.008 0.000 2.310 116 R HA 0.221 4.562 4.340 0.002 0.000 0.199 116 R C -0.098 176.192 176.300 -0.016 0.000 0.891 116 R CA 0.530 56.622 56.100 -0.014 0.000 1.060 116 R CB 1.126 31.419 30.300 -0.011 0.000 1.188 116 R HN 0.749 nan 8.270 nan 0.000 0.607 117 T N 0.368 114.917 114.554 -0.008 0.000 2.952 117 T HA 0.339 4.690 4.350 0.002 0.000 0.305 117 T C -1.059 173.644 174.700 0.004 0.000 1.064 117 T CA -0.429 61.667 62.100 -0.007 0.000 1.008 117 T CB 2.918 71.783 68.868 -0.005 0.000 1.078 117 T HN -0.227 nan 8.240 nan 0.000 0.459 118 V N 3.687 123.604 119.914 0.006 0.000 2.259 118 V HA 0.275 4.396 4.120 0.002 0.000 0.267 118 V C 1.435 177.543 176.094 0.023 0.000 1.051 118 V CA -0.518 61.797 62.300 0.024 0.000 0.830 118 V CB 0.676 32.515 31.823 0.027 0.000 1.080 118 V HN 0.702 nan 8.190 nan 0.000 0.467 119 R N 3.462 123.979 120.500 0.029 0.000 2.120 119 R HA -0.004 4.337 4.340 0.002 0.000 0.234 119 R C 1.407 177.730 176.300 0.039 0.000 1.123 119 R CA 1.449 57.565 56.100 0.028 0.000 0.975 119 R CB -0.288 30.028 30.300 0.028 0.000 0.866 119 R HN 0.770 nan 8.270 nan 0.000 0.446 120 G N -1.128 107.709 108.800 0.062 0.000 2.714 120 G HA2 0.137 4.098 3.960 0.002 0.000 0.197 120 G HA3 0.137 4.098 3.960 0.002 0.000 0.197 120 G C -0.777 174.148 174.900 0.042 0.000 1.449 120 G CA -0.490 44.659 45.100 0.082 0.000 1.065 120 G HN 0.168 nan 8.290 nan 0.000 0.575 121 D N -0.506 119.918 120.400 0.039 0.000 2.268 121 D HA 0.385 5.026 4.640 0.002 0.000 0.249 121 D C -0.751 175.433 176.300 -0.194 0.000 1.008 121 D CA -0.331 53.585 54.000 -0.140 0.000 0.939 121 D CB 2.561 43.164 40.800 -0.329 0.000 1.170 121 D HN 0.117 nan 8.370 nan 0.000 0.468 122 L N 1.902 122.955 121.223 -0.283 0.000 2.282 122 L HA 0.323 4.663 4.340 0.002 0.000 0.288 122 L C -1.587 175.040 176.870 -0.405 0.000 1.033 122 L CA -0.337 54.387 54.840 -0.193 0.000 0.807 122 L CB 0.383 42.412 42.059 -0.050 0.000 1.209 122 L HN 0.225 nan 8.230 nan 0.000 0.423 123 Y N 3.635 123.731 120.300 -0.341 0.000 2.393 123 Y HA 0.719 5.269 4.550 0.001 0.000 0.341 123 Y C 0.285 176.074 175.900 -0.184 0.000 0.988 123 Y CA -0.746 57.130 58.100 -0.373 0.000 1.078 123 Y CB 1.983 39.928 38.460 -0.858 0.000 1.203 123 Y HN 0.729 nan 8.280 nan 0.000 0.453 124 A N 2.428 125.296 122.820 0.079 0.000 2.252 124 A HA 0.370 4.691 4.320 0.002 0.000 0.309 124 A C -0.969 176.679 177.584 0.106 0.000 1.285 124 A CA -0.489 51.584 52.037 0.059 0.000 0.900 124 A CB 0.128 19.147 19.000 0.032 0.000 1.157 124 A HN 0.648 nan 8.150 nan 0.000 0.536 125 D N 2.630 123.091 120.400 0.102 0.000 2.427 125 D HA 0.289 4.930 4.640 0.002 0.000 0.226 125 D C -0.531 175.795 176.300 0.043 0.000 1.076 125 D CA -0.303 53.760 54.000 0.104 0.000 0.849 125 D CB 1.156 42.039 40.800 0.138 0.000 1.052 125 D HN 0.525 nan 8.370 nan 0.000 0.515 126 D N 1.254 121.685 120.400 0.052 0.000 2.538 126 D HA -0.048 4.593 4.640 0.002 0.000 0.231 126 D C 1.161 177.512 176.300 0.085 0.000 1.229 126 D CA -0.160 53.864 54.000 0.041 0.000 0.828 126 D CB -0.276 40.547 40.800 0.037 0.000 1.035 126 D HN 0.286 nan 8.370 nan 0.000 0.495 127 T N -3.876 110.732 114.554 0.090 0.000 3.025 127 T HA -0.174 4.177 4.350 0.002 0.000 0.270 127 T C 1.444 176.230 174.700 0.144 0.000 1.126 127 T CA 0.140 62.295 62.100 0.091 0.000 1.105 127 T CB -0.887 68.011 68.868 0.051 0.000 0.884 127 T HN 0.442 nan 8.240 nan 0.000 0.522 128 W N 0.839 122.112 121.300 -0.046 0.000 2.374 128 W HA 0.082 4.743 4.660 0.001 0.000 0.288 128 W C -0.542 176.066 176.519 0.148 0.000 1.218 128 W CA 0.278 57.601 57.345 -0.038 0.000 1.245 128 W CB 0.021 29.369 29.460 -0.186 0.000 1.126 128 W HN 0.130 nan 8.180 nan 0.000 0.545 129 F N 0.866 120.828 119.950 0.021 0.000 2.594 129 F HA 0.265 4.793 4.527 0.001 0.000 0.335 129 F C 0.755 176.487 175.800 -0.113 0.000 1.058 129 F CA -2.000 55.924 58.000 -0.126 0.000 0.981 129 F CB -0.381 38.568 39.000 -0.087 0.000 1.289 129 F HN -0.389 nan 8.300 nan 0.000 0.490 130 D N -0.062 120.350 120.400 0.020 0.000 2.346 130 D HA 0.002 4.643 4.640 0.002 0.000 0.236 130 D C 0.689 176.994 176.300 0.008 0.000 1.259 130 D CA 0.457 54.431 54.000 -0.044 0.000 0.898 130 D CB 0.957 41.664 40.800 -0.155 0.000 1.178 130 D HN 0.463 nan 8.370 nan 0.000 0.457 131 S N 0.020 115.730 115.700 0.017 0.000 2.582 131 S HA 0.055 4.526 4.470 0.002 0.000 0.234 131 S C 0.420 175.051 174.600 0.051 0.000 0.961 131 S CA -0.510 57.716 58.200 0.043 0.000 0.953 131 S CB -0.002 63.226 63.200 0.047 0.000 0.800 131 S HN 0.475 nan 8.310 nan 0.000 0.471 132 E N 1.724 121.948 120.200 0.039 0.000 2.070 132 E HA 0.194 4.545 4.350 0.002 0.000 0.282 132 E C 0.815 177.510 176.600 0.158 0.000 1.104 132 E CA -0.624 55.845 56.400 0.114 0.000 0.876 132 E CB 0.387 30.194 29.700 0.179 0.000 1.055 132 E HN 0.139 nan 8.360 nan 0.000 0.401 133 R N 3.217 123.819 120.500 0.170 0.000 2.161 133 R HA 0.186 4.526 4.340 0.002 0.000 0.213 133 R C 0.257 176.744 176.300 0.313 0.000 1.055 133 R CA 0.580 56.803 56.100 0.205 0.000 0.996 133 R CB -0.273 30.126 30.300 0.165 0.000 0.901 133 R HN 0.480 nan 8.270 nan 0.000 0.456 134 L N -0.372 120.983 121.223 0.220 0.000 2.393 134 L HA 0.405 4.746 4.340 0.002 0.000 0.260 134 L C -0.428 176.084 176.870 -0.596 0.000 1.002 134 L CA -1.150 53.662 54.840 -0.046 0.000 0.818 134 L CB 2.612 44.763 42.059 0.152 0.000 1.369 134 L HN -0.367 nan 8.230 nan 0.000 0.412 135 V N 1.220 120.151 119.914 -1.638 0.000 2.637 135 V HA -0.038 4.083 4.120 0.002 0.000 0.296 135 V C 0.647 176.242 176.094 -0.832 0.000 1.046 135 V CA 0.090 61.380 62.300 -1.683 0.000 1.066 135 V CB 1.054 31.498 31.823 -2.298 0.000 0.968 135 V HN 1.006 nan 8.190 nan 0.000 0.483 136 D N 3.873 123.954 120.400 -0.531 0.000 2.154 136 D HA -0.294 4.347 4.640 0.002 0.000 0.190 136 D C 1.181 177.400 176.300 -0.135 0.000 1.003 136 D CA 1.950 55.801 54.000 -0.248 0.000 0.849 136 D CB -0.367 40.321 40.800 -0.187 0.000 0.942 136 D HN 0.778 nan 8.370 nan 0.000 0.446 137 D N -1.796 118.513 120.400 -0.150 0.000 2.328 137 D HA -0.050 4.591 4.640 0.002 0.000 0.226 137 D C -0.126 176.242 176.300 0.114 0.000 1.066 137 D CA -0.584 53.416 54.000 -0.001 0.000 0.861 137 D CB -0.643 40.147 40.800 -0.017 0.000 0.912 137 D HN 0.232 nan 8.370 nan 0.000 0.521 138 W N 0.966 122.203 121.300 -0.105 0.000 2.137 138 W HA 0.213 4.874 4.660 0.002 0.000 0.344 138 W C 0.538 177.108 176.519 0.085 0.000 1.286 138 W CA -1.146 56.135 57.345 -0.106 0.000 1.240 138 W CB 0.055 29.481 29.460 -0.056 0.000 1.141 138 W HN -0.028 nan 8.180 nan 0.000 0.579 139 W N 3.401 124.842 121.300 0.235 0.000 2.322 139 W HA 0.203 4.864 4.660 0.001 0.000 0.307 139 W C -1.297 175.308 176.519 0.142 0.000 1.220 139 W CA -2.660 54.773 57.345 0.147 0.000 1.210 139 W CB -0.125 29.398 29.460 0.106 0.000 1.223 139 W HN 0.218 nan 8.180 nan 0.000 0.511 140 P HA -0.193 nan 4.420 nan 0.000 0.219 140 P C 1.094 178.499 177.300 0.174 0.000 1.146 140 P CA 1.793 65.016 63.100 0.204 0.000 0.808 140 P CB 0.493 32.275 31.700 0.137 0.000 0.779 141 E N -0.722 119.597 120.200 0.198 0.000 2.265 141 E HA -0.150 4.201 4.350 0.002 0.000 0.196 141 E C 1.289 178.049 176.600 0.266 0.000 0.996 141 E CA 0.986 57.493 56.400 0.178 0.000 0.832 141 E CB -0.635 29.141 29.700 0.127 0.000 0.756 141 E HN 0.318 nan 8.360 nan 0.000 0.491 142 D N 0.010 120.600 120.400 0.317 0.000 2.348 142 D HA -0.033 4.608 4.640 0.002 0.000 0.211 142 D C 1.108 177.447 176.300 0.066 0.000 0.998 142 D CA 0.214 54.413 54.000 0.332 0.000 0.873 142 D CB 0.077 41.108 40.800 0.386 0.000 0.925 142 D HN 0.286 nan 8.370 nan 0.000 0.524 143 E N 0.532 120.754 120.200 0.036 0.000 2.171 143 E HA -0.164 4.187 4.350 0.002 0.000 0.197 143 E C -0.836 175.640 176.600 -0.207 0.000 0.997 143 E CA 0.892 57.266 56.400 -0.045 0.000 0.810 143 E CB -0.520 29.199 29.700 0.031 0.000 0.738 143 E HN 0.315 nan 8.360 nan 0.000 0.467 144 P HA -0.085 nan 4.420 nan 0.000 0.229 144 P C -0.514 176.339 177.300 -0.744 0.000 1.160 144 P CA 0.930 63.668 63.100 -0.604 0.000 0.777 144 P CB 0.064 31.288 31.700 -0.794 0.000 0.814 145 Y N -1.396 118.731 120.300 -0.289 0.000 2.320 145 Y HA 0.446 4.997 4.550 0.002 0.000 0.324 145 Y C 1.973 177.611 175.900 -0.435 0.000 1.190 145 Y CA -0.927 56.927 58.100 -0.410 0.000 1.215 145 Y CB 0.330 38.396 38.460 -0.657 0.000 1.221 145 Y HN -0.210 nan 8.280 nan 0.000 0.486 146 A N 2.110 124.871 122.820 -0.099 0.000 1.958 146 A HA -0.289 4.032 4.320 0.002 0.000 0.221 146 A C 1.697 179.264 177.584 -0.028 0.000 1.178 146 A CA 2.252 54.265 52.037 -0.040 0.000 0.642 146 A CB -1.374 17.646 19.000 0.034 0.000 0.816 146 A HN 0.944 nan 8.150 nan 0.000 0.453 147 Y N -2.125 118.195 120.300 0.034 0.000 2.616 147 Y HA 0.310 4.861 4.550 0.002 0.000 0.296 147 Y C 1.693 177.514 175.900 -0.132 0.000 1.154 147 Y CA 0.740 58.817 58.100 -0.039 0.000 1.325 147 Y CB -0.566 37.857 38.460 -0.062 0.000 1.007 147 Y HN 0.167 nan 8.280 nan 0.000 0.542 148 S N 0.320 115.845 115.700 -0.292 0.000 2.754 148 S HA 0.616 5.087 4.470 0.002 0.000 0.247 148 S C 0.582 175.169 174.600 -0.022 0.000 1.031 148 S CA -0.248 57.804 58.200 -0.248 0.000 1.014 148 S CB -1.004 62.025 63.200 -0.286 0.000 0.918 148 S HN 0.599 nan 8.310 nan 0.000 0.519 149 A N 1.509 124.345 122.820 0.027 0.000 2.531 149 A HA 0.268 4.589 4.320 0.002 0.000 0.236 149 A C 0.434 178.157 177.584 0.231 0.000 1.062 149 A CA 0.202 52.301 52.037 0.104 0.000 0.760 149 A CB 0.088 19.148 19.000 0.101 0.000 0.995 149 A HN 0.704 nan 8.150 nan 0.000 0.501 150 Q N 0.342 120.267 119.800 0.208 0.000 2.392 150 Q HA 0.206 4.547 4.340 0.002 0.000 0.262 150 Q C -0.383 175.761 176.000 0.240 0.000 1.003 150 Q CA -0.013 55.939 55.803 0.248 0.000 0.888 150 Q CB 0.566 29.412 28.738 0.180 0.000 1.260 150 Q HN 0.557 nan 8.270 nan 0.000 0.435 151 I N 1.437 122.159 120.570 0.254 0.000 2.353 151 I HA 0.284 4.455 4.170 0.002 0.000 0.293 151 I C 0.155 176.354 176.117 0.137 0.000 0.992 151 I CA 0.210 61.620 61.300 0.184 0.000 1.268 151 I CB 0.998 39.060 38.000 0.104 0.000 1.387 151 I HN 0.490 nan 8.210 nan 0.000 0.478 152 S N 3.589 119.392 115.700 0.171 0.000 2.570 152 S HA 0.681 5.152 4.470 0.002 0.000 0.270 152 S C 0.508 175.199 174.600 0.151 0.000 1.149 152 S CA 0.032 58.332 58.200 0.166 0.000 0.837 152 S CB 1.844 65.104 63.200 0.100 0.000 1.124 152 S HN 0.671 nan 8.310 nan 0.000 0.465 153 A N 2.360 125.188 122.820 0.013 0.000 2.067 153 A HA 0.338 4.659 4.320 0.002 0.000 0.217 153 A C 0.657 178.099 177.584 -0.237 0.000 1.156 153 A CA 0.543 52.325 52.037 -0.424 0.000 0.683 153 A CB -0.244 18.475 19.000 -0.469 0.000 0.808 153 A HN 0.702 nan 8.150 nan 0.000 0.455 154 L N 0.647 121.812 121.223 -0.096 0.000 2.353 154 L HA 0.477 4.818 4.340 0.002 0.000 0.270 154 L C -0.885 175.968 176.870 -0.028 0.000 1.003 154 L CA -0.073 54.721 54.840 -0.077 0.000 0.862 154 L CB 1.551 43.574 42.059 -0.060 0.000 1.221 154 L HN 0.174 nan 8.230 nan 0.000 0.430 155 T N 2.973 117.513 114.554 -0.022 0.000 2.923 155 T HA 0.495 4.846 4.350 0.002 0.000 0.311 155 T C -1.081 173.636 174.700 0.029 0.000 1.183 155 T CA -0.298 61.813 62.100 0.019 0.000 1.020 155 T CB 1.840 70.742 68.868 0.056 0.000 1.165 155 T HN 0.131 nan 8.240 nan 0.000 0.482 156 V N 3.721 123.664 119.914 0.049 0.000 2.465 156 V HA 0.719 4.840 4.120 0.002 0.000 0.279 156 V C 0.728 176.900 176.094 0.131 0.000 1.045 156 V CA -0.672 61.672 62.300 0.074 0.000 0.938 156 V CB 0.995 32.856 31.823 0.063 0.000 0.986 156 V HN 1.086 nan 8.190 nan 0.000 0.467 157 A N 3.640 126.567 122.820 0.178 0.000 2.290 157 A HA 0.582 4.903 4.320 0.002 0.000 0.310 157 A C -0.452 177.286 177.584 0.256 0.000 1.202 157 A CA -0.363 51.838 52.037 0.273 0.000 0.837 157 A CB 0.058 19.309 19.000 0.419 0.000 1.139 157 A HN 1.019 nan 8.150 nan 0.000 0.509 158 H N 1.667 120.811 119.070 0.123 0.000 2.473 158 H HA 0.537 5.093 4.556 0.002 0.000 0.327 158 H C 0.775 176.086 175.328 -0.028 0.000 1.105 158 H CA 1.072 57.148 56.048 0.048 0.000 1.280 158 H CB 0.964 30.744 29.762 0.030 0.000 1.450 158 H HN 1.553 nan 8.280 nan 0.000 0.492 159 G N 3.451 111.806 108.800 -0.742 0.000 2.877 159 G HA2 -0.298 3.663 3.960 0.002 0.000 0.279 159 G HA3 -0.298 3.663 3.960 0.002 0.000 0.279 159 G C 0.784 175.355 174.900 -0.548 0.000 1.431 159 G CA 0.199 44.951 45.100 -0.580 0.000 0.883 159 G HN 0.896 nan 8.290 nan 0.000 0.547 160 E N -0.466 119.469 120.200 -0.442 0.000 2.418 160 E HA -0.019 4.332 4.350 0.002 0.000 0.197 160 E C 2.069 178.380 176.600 -0.481 0.000 1.026 160 E CA 1.012 57.101 56.400 -0.518 0.000 0.862 160 E CB 0.026 29.626 29.700 -0.166 0.000 0.799 160 E HN 0.567 nan 8.360 nan 0.000 0.518 161 R N -0.051 120.268 120.500 -0.302 0.000 2.300 161 R HA 0.128 4.469 4.340 0.002 0.000 0.199 161 R C -0.377 175.977 176.300 0.090 0.000 0.920 161 R CA 0.035 56.073 56.100 -0.103 0.000 1.046 161 R CB -0.214 29.882 30.300 -0.339 0.000 0.984 161 R HN 0.109 nan 8.270 nan 0.000 0.493 162 F N 1.679 121.725 119.950 0.160 0.000 2.905 162 F HA -0.227 4.301 4.527 0.002 0.000 0.291 162 F C -0.668 175.231 175.800 0.164 0.000 1.002 162 F CA 0.215 58.337 58.000 0.203 0.000 0.978 162 F CB -1.471 37.732 39.000 0.339 0.000 1.036 162 F HN 0.065 nan 8.300 nan 0.000 0.820 163 D N 1.313 121.839 120.400 0.210 0.000 2.325 163 D HA 0.214 4.855 4.640 0.002 0.000 0.251 163 D C 0.844 177.259 176.300 0.191 0.000 1.196 163 D CA 0.292 54.379 54.000 0.146 0.000 0.866 163 D CB 1.228 42.092 40.800 0.106 0.000 1.101 163 D HN 0.355 nan 8.370 nan 0.000 0.476 164 T N -1.703 112.959 114.554 0.180 0.000 2.874 164 T HA 0.465 4.816 4.350 0.002 0.000 0.281 164 T C 1.241 176.017 174.700 0.126 0.000 0.994 164 T CA -0.159 62.044 62.100 0.172 0.000 1.015 164 T CB 1.578 70.558 68.868 0.187 0.000 1.028 164 T HN 0.523 nan 8.240 nan 0.000 0.523 165 G N 0.168 109.035 108.800 0.112 0.000 2.258 165 G HA2 -0.120 3.841 3.960 0.002 0.000 0.274 165 G HA3 -0.120 3.841 3.960 0.002 0.000 0.274 165 G C 0.146 175.089 174.900 0.070 0.000 1.021 165 G CA 0.526 45.682 45.100 0.093 0.000 0.798 165 G HN 1.832 nan 8.290 nan 0.000 0.507 166 V N -4.353 115.597 119.914 0.060 0.000 3.155 166 V HA 1.002 5.123 4.120 0.002 0.000 0.313 166 V C -0.034 176.059 176.094 -0.001 0.000 1.162 166 V CA -0.125 62.184 62.300 0.016 0.000 1.048 166 V CB 2.077 33.892 31.823 -0.015 0.000 1.092 166 V HN 0.816 nan 8.190 nan 0.000 0.447 167 T N 0.254 114.783 114.554 -0.043 0.000 2.906 167 T HA 0.442 4.793 4.350 0.002 0.000 0.295 167 T C -1.093 173.522 174.700 -0.142 0.000 1.061 167 T CA -0.382 61.684 62.100 -0.057 0.000 1.000 167 T CB 1.798 70.674 68.868 0.013 0.000 1.103 167 T HN 1.105 nan 8.240 nan 0.000 0.486 168 E N 3.042 123.130 120.200 -0.186 0.000 2.089 168 E HA 0.499 4.850 4.350 0.002 0.000 0.284 168 E C -0.890 175.664 176.600 -0.076 0.000 1.023 168 E CA -0.604 55.677 56.400 -0.198 0.000 0.819 168 E CB 0.735 30.282 29.700 -0.255 0.000 1.076 168 E HN 0.401 nan 8.360 nan 0.000 0.396 169 V N 3.848 123.727 119.914 -0.058 0.000 2.465 169 V HA 0.233 4.354 4.120 0.002 0.000 0.279 169 V C -0.168 175.916 176.094 -0.016 0.000 1.045 169 V CA -0.433 61.850 62.300 -0.027 0.000 0.938 169 V CB 1.563 33.372 31.823 -0.024 0.000 0.986 169 V HN 0.621 nan 8.190 nan 0.000 0.467 170 S N 3.812 119.509 115.700 -0.005 0.000 2.552 170 S HA 0.621 5.092 4.470 0.002 0.000 0.314 170 S C -0.506 174.096 174.600 0.003 0.000 1.099 170 S CA -0.548 57.653 58.200 0.001 0.000 1.070 170 S CB 1.660 64.864 63.200 0.007 0.000 0.998 170 S HN 0.445 nan 8.310 nan 0.000 0.474 171 V N 3.621 123.537 119.914 0.004 0.000 2.409 171 V HA 0.660 4.781 4.120 0.002 0.000 0.291 171 V C 0.225 176.322 176.094 0.005 0.000 1.020 171 V CA -0.687 61.615 62.300 0.004 0.000 0.848 171 V CB 1.479 33.304 31.823 0.004 0.000 0.990 171 V HN 0.971 nan 8.190 nan 0.000 0.430 172 T N 3.398 117.955 114.554 0.005 0.000 2.863 172 T HA 0.661 5.012 4.350 0.002 0.000 0.285 172 T C -2.898 171.804 174.700 0.004 0.000 1.009 172 T CA -2.366 59.737 62.100 0.005 0.000 0.989 172 T CB 2.418 71.290 68.868 0.005 0.000 1.004 172 T HN 0.463 nan 8.240 nan 0.000 0.455 173 P HA 0.448 nan 4.420 nan 0.000 0.275 173 P C -0.375 176.927 177.300 0.003 0.000 1.228 173 P CA -0.298 62.804 63.100 0.003 0.000 0.786 173 P CB 1.148 32.850 31.700 0.004 0.000 0.927 174 A N 2.970 125.792 122.820 0.002 0.000 3.944 174 A HA 0.766 5.087 4.320 0.002 0.000 0.151 174 A C 0.069 177.654 177.584 0.002 0.000 1.301 174 A CA -0.246 51.792 52.037 0.002 0.000 1.020 174 A CB -0.318 18.682 19.000 0.002 0.000 1.627 174 A HN 0.566 nan 8.150 nan 0.000 0.661 175 A N -0.073 122.748 122.820 0.001 0.000 2.340 175 A HA 0.479 4.800 4.320 0.002 0.000 0.268 175 A C 0.281 177.866 177.584 0.001 0.000 1.100 175 A CA -0.152 51.886 52.037 0.001 0.000 0.803 175 A CB -0.192 18.809 19.000 0.001 0.000 1.043 175 A HN 0.689 nan 8.150 nan 0.000 0.488 176 E N 0.798 120.999 120.200 0.001 0.000 2.558 176 E HA 0.246 4.597 4.350 0.002 0.000 0.255 176 E C 1.257 177.858 176.600 0.001 0.000 0.968 176 E CA 1.150 57.551 56.400 0.001 0.000 0.939 176 E CB -0.042 29.659 29.700 0.001 0.000 0.921 176 E HN 1.444 nan 8.360 nan 0.000 0.477 177 G N 3.871 112.672 108.800 0.001 0.000 2.268 177 G HA2 -0.276 3.684 3.960 0.002 0.000 0.240 177 G HA3 -0.276 3.684 3.960 0.002 0.000 0.240 177 G C 0.106 175.006 174.900 -0.000 0.000 1.010 177 G CA 0.302 45.402 45.100 0.000 0.000 0.618 177 G HN 0.610 nan 8.290 nan 0.000 0.516 178 E N 2.266 122.466 120.200 0.000 0.000 2.314 178 E HA 0.409 4.760 4.350 0.002 0.000 0.262 178 E C -2.227 174.373 176.600 -0.000 0.000 1.093 178 E CA -1.718 54.682 56.400 -0.000 0.000 0.908 178 E CB 1.185 30.885 29.700 0.000 0.000 1.091 178 E HN 0.223 nan 8.360 nan 0.000 0.425 179 P HA -0.014 nan 4.420 nan 0.000 0.269 179 P C -0.890 176.410 177.300 -0.000 0.000 1.209 179 P CA 0.028 63.127 63.100 -0.001 0.000 0.776 179 P CB 0.594 32.293 31.700 -0.002 0.000 0.876 180 A N 2.748 125.568 122.820 0.000 0.000 2.366 180 A HA 0.195 4.516 4.320 0.002 0.000 0.249 180 A C 0.179 177.764 177.584 0.001 0.000 1.084 180 A CA -0.229 51.809 52.037 0.001 0.000 0.794 180 A CB -0.182 18.819 19.000 0.001 0.000 1.034 180 A HN 0.483 nan 8.150 nan 0.000 0.491 181 D N 0.445 120.847 120.400 0.002 0.000 2.225 181 D HA 0.467 5.108 4.640 0.002 0.000 0.248 181 D C -0.802 175.500 176.300 0.002 0.000 1.096 181 D CA 0.176 54.177 54.000 0.002 0.000 0.863 181 D CB 1.621 42.423 40.800 0.003 0.000 1.156 181 D HN 0.133 nan 8.370 nan 0.000 0.450 182 V N 2.382 122.297 119.914 0.002 0.000 2.540 182 V HA 0.240 4.361 4.120 0.002 0.000 0.302 182 V C -0.330 175.767 176.094 0.004 0.000 1.035 182 V CA -0.803 61.498 62.300 0.001 0.000 0.873 182 V CB 2.214 34.036 31.823 -0.002 0.000 0.992 182 V HN 0.419 nan 8.190 nan 0.000 0.428 183 D N 3.716 124.120 120.400 0.006 0.000 2.408 183 D HA 0.389 5.029 4.640 0.002 0.000 0.243 183 D C 0.446 176.752 176.300 0.011 0.000 1.075 183 D CA -0.412 53.595 54.000 0.012 0.000 0.832 183 D CB 1.962 42.770 40.800 0.014 0.000 1.162 183 D HN 0.411 nan 8.370 nan 0.000 0.515 184 L N 3.219 124.452 121.223 0.017 0.000 2.599 184 L HA 0.241 4.582 4.340 0.002 0.000 0.230 184 L C 1.698 178.585 176.870 0.028 0.000 1.141 184 L CA 0.328 55.179 54.840 0.018 0.000 0.877 184 L CB -0.782 41.290 42.059 0.022 0.000 1.009 184 L HN 0.730 nan 8.230 nan 0.000 0.447 185 G N 0.813 109.633 108.800 0.033 0.000 2.556 185 G HA2 -0.441 3.520 3.960 0.002 0.000 0.283 185 G HA3 -0.441 3.520 3.960 0.002 0.000 0.283 185 G C 0.964 175.906 174.900 0.071 0.000 1.177 185 G CA 0.452 45.577 45.100 0.042 0.000 0.978 185 G HN 0.288 nan 8.290 nan 0.000 0.554 186 A N -0.358 122.508 122.820 0.078 0.000 1.940 186 A HA 0.278 4.599 4.320 0.002 0.000 0.219 186 A C 2.863 180.545 177.584 0.163 0.000 1.176 186 A CA 3.389 55.489 52.037 0.105 0.000 0.631 186 A CB -0.899 18.158 19.000 0.095 0.000 0.814 186 A HN 2.325 nan 8.150 nan 0.000 0.446 187 A N -0.512 122.395 122.820 0.145 0.000 2.239 187 A HA 0.104 4.425 4.320 0.002 0.000 0.209 187 A C 0.611 178.290 177.584 0.157 0.000 1.171 187 A CA 0.035 52.190 52.037 0.197 0.000 0.768 187 A CB -0.225 18.875 19.000 0.166 0.000 0.790 187 A HN 0.404 nan 8.150 nan 0.000 0.478 188 E N -0.212 120.076 120.200 0.148 0.000 2.415 188 E HA 0.268 4.619 4.350 0.002 0.000 0.260 188 E C 1.196 177.907 176.600 0.185 0.000 1.016 188 E CA 1.098 57.572 56.400 0.123 0.000 0.924 188 E CB 0.312 30.076 29.700 0.107 0.000 0.961 188 E HN 0.659 nan 8.360 nan 0.000 0.459 189 G N 3.181 112.026 108.800 0.075 0.000 2.176 189 G HA2 -0.361 3.600 3.960 0.002 0.000 0.253 189 G HA3 -0.361 3.600 3.960 0.002 0.000 0.253 189 G C 0.467 175.232 174.900 -0.226 0.000 0.979 189 G CA 0.585 45.704 45.100 0.032 0.000 0.641 189 G HN 0.591 nan 8.290 nan 0.000 0.530 190 Y N 0.417 120.482 120.300 -0.392 0.000 2.886 190 Y HA 0.714 5.265 4.550 0.002 0.000 0.244 190 Y C 1.633 177.419 175.900 -0.191 0.000 1.017 190 Y CA 1.363 59.201 58.100 -0.437 0.000 1.389 190 Y CB -0.097 38.079 38.460 -0.473 0.000 1.477 190 Y HN 0.661 nan 8.280 nan 0.000 0.466 191 A N 1.756 124.422 122.820 -0.257 0.000 2.302 191 A HA 0.404 4.725 4.320 0.002 0.000 0.285 191 A C -0.303 177.179 177.584 -0.170 0.000 1.105 191 A CA -0.529 51.339 52.037 -0.281 0.000 0.816 191 A CB 0.140 19.072 19.000 -0.114 0.000 1.067 191 A HN 0.496 nan 8.150 nan 0.000 0.489 192 E N -0.226 119.879 120.200 -0.157 0.000 2.318 192 E HA 0.416 4.767 4.350 0.002 0.000 0.265 192 E C -1.263 175.294 176.600 -0.071 0.000 1.069 192 E CA -0.664 55.674 56.400 -0.103 0.000 0.893 192 E CB 1.536 31.177 29.700 -0.099 0.000 1.076 192 E HN 0.428 nan 8.360 nan 0.000 0.414 193 L N 1.723 122.915 121.223 -0.051 0.000 2.341 193 L HA 0.344 4.685 4.340 0.002 0.000 0.278 193 L C -1.174 175.676 176.870 -0.032 0.000 1.005 193 L CA -0.364 54.453 54.840 -0.037 0.000 0.818 193 L CB 1.585 43.629 42.059 -0.025 0.000 1.259 193 L HN 0.338 nan 8.230 nan 0.000 0.418 194 D N 3.216 123.598 120.400 -0.030 0.000 2.432 194 D HA 0.220 4.861 4.640 0.002 0.000 0.265 194 D C -1.134 175.155 176.300 -0.019 0.000 1.160 194 D CA -0.200 53.785 54.000 -0.025 0.000 0.911 194 D CB 0.395 41.179 40.800 -0.027 0.000 1.052 194 D HN 0.491 nan 8.370 nan 0.000 0.508 195 N N 2.751 121.442 118.700 -0.015 0.000 2.527 195 N HA 0.240 4.981 4.740 0.002 0.000 0.236 195 N C -0.085 175.420 175.510 -0.009 0.000 0.999 195 N CA -0.180 52.864 53.050 -0.011 0.000 0.935 195 N CB 0.475 38.957 38.487 -0.009 0.000 1.132 195 N HN 0.290 nan 8.380 nan 0.000 0.511 196 R N 1.614 122.109 120.500 -0.008 0.000 2.577 196 R HA 0.377 4.717 4.340 0.002 0.000 0.344 196 R C -0.137 176.160 176.300 -0.004 0.000 1.037 196 R CA -0.387 55.710 56.100 -0.006 0.000 1.102 196 R CB 0.690 30.986 30.300 -0.006 0.000 1.313 196 R HN 0.465 nan 8.270 nan 0.000 0.561 197 A N 0.689 123.507 122.820 -0.003 0.000 2.322 197 A HA 0.490 4.811 4.320 0.002 0.000 0.269 197 A C -0.335 177.249 177.584 -0.000 0.000 1.094 197 A CA -0.314 51.722 52.037 -0.001 0.000 0.807 197 A CB 1.196 20.197 19.000 0.000 0.000 1.047 197 A HN 0.074 nan 8.150 nan 0.000 0.487 198 V N 0.618 120.532 119.914 0.001 0.000 2.960 198 V HA 0.639 4.760 4.120 0.002 0.000 0.315 198 V C -0.013 176.082 176.094 0.001 0.000 1.087 198 V CA -0.395 61.905 62.300 0.001 0.000 0.982 198 V CB 2.441 34.264 31.823 0.000 0.000 1.039 198 V HN 0.925 nan 8.190 nan 0.000 0.437 199 T N 4.522 119.076 114.554 0.001 0.000 2.727 199 T HA 0.536 4.887 4.350 0.002 0.000 0.298 199 T C 0.322 175.024 174.700 0.002 0.000 0.942 199 T CA 0.412 62.513 62.100 0.002 0.000 0.997 199 T CB 0.663 69.532 68.868 0.002 0.000 0.917 199 T HN 1.069 nan 8.240 nan 0.000 0.487 200 G N 1.925 110.726 108.800 0.002 0.000 2.580 200 G HA2 0.575 4.536 3.960 0.002 0.000 0.278 200 G HA3 0.575 4.536 3.960 0.002 0.000 0.278 200 G C 0.121 175.022 174.900 0.002 0.000 1.212 200 G CA -0.799 44.303 45.100 0.002 0.000 0.939 200 G HN 0.943 nan 8.290 nan 0.000 0.513 201 A N -0.494 122.327 122.820 0.002 0.000 2.425 201 A HA 0.581 4.902 4.320 0.002 0.000 0.242 201 A C 1.047 178.632 177.584 0.002 0.000 1.077 201 A CA 0.376 52.414 52.037 0.002 0.000 0.781 201 A CB -0.135 18.866 19.000 0.001 0.000 1.020 201 A HN 1.909 nan 8.150 nan 0.000 0.494 202 A N 0.572 123.393 122.820 0.002 0.000 2.540 202 A HA 0.477 4.797 4.320 0.002 0.000 0.239 202 A C 1.612 179.197 177.584 0.002 0.000 1.061 202 A CA 0.815 52.854 52.037 0.002 0.000 0.758 202 A CB -0.805 18.196 19.000 0.002 0.000 0.991 202 A HN 2.764 nan 8.150 nan 0.000 0.502 203 G N 1.458 110.259 108.800 0.002 0.000 2.176 203 G HA2 -0.198 3.763 3.960 0.002 0.000 0.253 203 G HA3 -0.198 3.763 3.960 0.002 0.000 0.253 203 G C 0.626 175.528 174.900 0.002 0.000 0.979 203 G CA 0.943 46.044 45.100 0.002 0.000 0.641 203 G HN 2.062 nan 8.290 nan 0.000 0.530 204 S N 0.009 115.710 115.700 0.002 0.000 2.655 204 S HA 0.795 5.266 4.470 0.002 0.000 0.265 204 S C 0.727 175.329 174.600 0.003 0.000 1.240 204 S CA 0.340 58.541 58.200 0.002 0.000 0.986 204 S CB 1.710 64.911 63.200 0.002 0.000 0.985 204 S HN 1.886 nan 8.310 nan 0.000 0.562 205 A N 1.251 124.073 122.820 0.003 0.000 2.425 205 A HA 0.367 4.688 4.320 0.002 0.000 0.249 205 A C 0.365 177.951 177.584 0.004 0.000 1.084 205 A CA -0.535 51.504 52.037 0.003 0.000 0.781 205 A CB -0.391 18.611 19.000 0.003 0.000 1.019 205 A HN 0.782 nan 8.150 nan 0.000 0.490 206 N N 1.520 120.223 118.700 0.005 0.000 2.406 206 N HA 0.168 4.909 4.740 0.002 0.000 0.251 206 N C 0.500 176.014 175.510 0.007 0.000 1.069 206 N CA 0.564 53.618 53.050 0.006 0.000 0.947 206 N CB 0.757 39.248 38.487 0.007 0.000 1.111 206 N HN 0.639 nan 8.380 nan 0.000 0.497 207 T N 1.128 115.687 114.554 0.008 0.000 3.252 207 T HA 0.175 4.526 4.350 0.002 0.000 0.286 207 T C 0.591 175.298 174.700 0.011 0.000 1.013 207 T CA -0.527 61.579 62.100 0.009 0.000 0.914 207 T CB -0.297 68.576 68.868 0.007 0.000 1.131 207 T HN 0.236 nan 8.240 nan 0.000 0.529 208 L N 2.640 123.870 121.223 0.012 0.000 2.525 208 L HA 0.419 4.760 4.340 0.002 0.000 0.278 208 L C -0.560 176.322 176.870 0.020 0.000 1.218 208 L CA 0.393 55.241 54.840 0.014 0.000 0.878 208 L CB 0.619 42.685 42.059 0.012 0.000 1.127 208 L HN 0.187 nan 8.230 nan 0.000 0.492 209 V N 6.752 126.679 119.914 0.021 0.000 2.638 209 V HA 0.465 4.586 4.120 0.002 0.000 0.306 209 V C -0.192 175.917 176.094 0.025 0.000 1.052 209 V CA -0.527 61.792 62.300 0.031 0.000 0.885 209 V CB 1.801 33.643 31.823 0.031 0.000 0.999 209 V HN 0.555 nan 8.190 nan 0.000 0.424 210 I N 4.084 124.675 120.570 0.035 0.000 2.389 210 I HA 0.597 4.767 4.170 0.002 0.000 0.288 210 I C -0.787 175.327 176.117 -0.004 0.000 0.999 210 I CA -0.100 61.207 61.300 0.012 0.000 1.129 210 I CB 1.835 39.842 38.000 0.012 0.000 1.288 210 I HN 0.673 nan 8.210 nan 0.000 0.444 211 D N 4.855 125.232 120.400 -0.039 0.000 2.579 211 D HA 0.452 5.093 4.640 0.002 0.000 0.257 211 D C -1.028 175.209 176.300 -0.105 0.000 1.176 211 D CA -0.765 53.182 54.000 -0.088 0.000 0.914 211 D CB 2.146 42.921 40.800 -0.043 0.000 1.431 211 D HN 0.415 nan 8.370 nan 0.000 0.454 212 R N 1.688 122.103 120.500 -0.142 0.000 2.412 212 R HA 0.484 4.825 4.340 0.002 0.000 0.304 212 R C -2.606 173.640 176.300 -0.089 0.000 1.066 212 R CA -1.744 54.289 56.100 -0.112 0.000 0.923 212 R CB 1.375 31.598 30.300 -0.129 0.000 1.156 212 R HN 0.230 nan 8.270 nan 0.000 0.513 213 P HA -0.153 nan 4.420 nan 0.000 0.264 213 P C -0.248 177.032 177.300 -0.034 0.000 1.183 213 P CA -0.054 63.022 63.100 -0.040 0.000 0.763 213 P CB 0.676 32.357 31.700 -0.032 0.000 0.807 214 V N 4.350 124.253 119.914 -0.019 0.000 2.720 214 V HA 0.158 4.279 4.120 0.002 0.000 0.307 214 V C 1.463 177.556 176.094 -0.002 0.000 1.071 214 V CA 1.961 64.259 62.300 -0.004 0.000 1.199 214 V CB -0.590 31.241 31.823 0.014 0.000 0.900 214 V HN 0.999 nan 8.190 nan 0.000 0.494 215 G N 3.646 112.449 108.800 0.005 0.000 2.148 215 G HA2 -0.226 3.735 3.960 0.002 0.000 0.254 215 G HA3 -0.226 3.735 3.960 0.002 0.000 0.254 215 G C 0.296 175.189 174.900 -0.011 0.000 0.981 215 G CA 0.959 46.062 45.100 0.004 0.000 0.670 215 G HN 1.796 nan 8.290 nan 0.000 0.528 216 T N -3.297 111.243 114.554 -0.023 0.000 2.907 216 T HA 0.649 5.000 4.350 0.002 0.000 0.290 216 T C -0.061 174.605 174.700 -0.056 0.000 1.066 216 T CA -0.138 61.938 62.100 -0.041 0.000 1.012 216 T CB 2.110 70.951 68.868 -0.046 0.000 1.184 216 T HN 0.220 nan 8.240 nan 0.000 0.522 217 N N 0.160 118.807 118.700 -0.088 0.000 2.535 217 N HA 0.312 5.053 4.740 0.002 0.000 0.294 217 N C -1.097 174.333 175.510 -0.134 0.000 1.408 217 N CA -0.313 52.662 53.050 -0.125 0.000 0.927 217 N CB 0.346 38.705 38.487 -0.213 0.000 1.276 217 N HN 0.685 nan 8.380 nan 0.000 0.505 218 T N 0.914 115.411 114.554 -0.094 0.000 2.807 218 T HA 0.411 4.762 4.350 0.002 0.000 0.279 218 T C -0.188 174.471 174.700 -0.069 0.000 0.993 218 T CA -0.495 61.556 62.100 -0.082 0.000 0.970 218 T CB 1.168 69.996 68.868 -0.067 0.000 0.950 218 T HN -0.020 nan 8.240 nan 0.000 0.441 219 I N 3.266 123.799 120.570 -0.062 0.000 2.297 219 I HA 0.443 4.614 4.170 0.002 0.000 0.291 219 I C 0.544 176.635 176.117 -0.043 0.000 1.033 219 I CA -0.855 60.412 61.300 -0.054 0.000 1.253 219 I CB 0.317 38.291 38.000 -0.044 0.000 1.396 219 I HN 0.674 nan 8.210 nan 0.000 0.476 220 A N 7.353 130.148 122.820 -0.041 0.000 2.274 220 A HA 0.688 5.009 4.320 0.002 0.000 0.309 220 A C -0.385 177.186 177.584 -0.021 0.000 1.226 220 A CA -0.437 51.582 52.037 -0.030 0.000 0.853 220 A CB 0.838 19.821 19.000 -0.028 0.000 1.146 220 A HN 0.434 nan 8.150 nan 0.000 0.518 221 V N 3.197 123.102 119.914 -0.015 0.000 2.409 221 V HA 0.691 4.811 4.120 0.002 0.000 0.291 221 V C 0.390 176.482 176.094 -0.004 0.000 1.020 221 V CA 0.001 62.297 62.300 -0.008 0.000 0.848 221 V CB 1.304 33.123 31.823 -0.007 0.000 0.990 221 V HN 1.153 nan 8.190 nan 0.000 0.430 222 T N 0.885 115.440 114.554 0.000 0.000 2.831 222 T HA 0.962 5.313 4.350 0.002 0.000 0.287 222 T C 0.199 174.902 174.700 0.005 0.000 1.070 222 T CA -0.114 61.987 62.100 0.001 0.000 1.010 222 T CB 1.778 70.647 68.868 0.002 0.000 1.264 222 T HN 1.954 nan 8.240 nan 0.000 0.532 223 G N 0.223 109.025 108.800 0.004 0.000 2.627 223 G HA2 0.230 4.191 3.960 0.002 0.000 0.214 223 G HA3 0.230 4.191 3.960 0.002 0.000 0.214 223 G C -0.332 174.570 174.900 0.004 0.000 1.331 223 G CA -0.135 44.969 45.100 0.006 0.000 0.891 223 G HN 1.660 nan 8.290 nan 0.000 0.539 224 S N -1.196 114.507 115.700 0.005 0.000 2.557 224 S HA 0.656 5.127 4.470 0.002 0.000 0.291 224 S C -0.980 173.623 174.600 0.005 0.000 1.116 224 S CA -0.309 57.893 58.200 0.004 0.000 0.992 224 S CB 1.381 64.583 63.200 0.003 0.000 1.028 224 S HN 1.738 nan 8.310 nan 0.000 0.484 225 L N 6.954 128.180 121.223 0.004 0.000 2.305 225 L HA 0.688 5.029 4.340 0.002 0.000 0.284 225 L C -2.384 174.488 176.870 0.004 0.000 1.013 225 L CA -1.893 52.950 54.840 0.005 0.000 0.819 225 L CB 1.550 43.612 42.059 0.005 0.000 1.227 225 L HN 0.424 nan 8.230 nan 0.000 0.417 226 P HA 0.009 nan 4.420 nan 0.000 0.266 226 P C 0.133 177.435 177.300 0.003 0.000 1.195 226 P CA 0.081 63.183 63.100 0.003 0.000 0.768 226 P CB 0.851 32.553 31.700 0.004 0.000 0.838 227 A N 3.453 126.275 122.820 0.003 0.000 2.024 227 A HA -0.190 4.131 4.320 0.002 0.000 0.220 227 A C 1.446 179.032 177.584 0.003 0.000 1.164 227 A CA 1.961 53.999 52.037 0.003 0.000 0.643 227 A CB -0.968 18.034 19.000 0.002 0.000 0.806 227 A HN 0.659 nan 8.150 nan 0.000 0.451 228 D N -0.602 119.799 120.400 0.003 0.000 2.340 228 D HA 0.380 5.021 4.640 0.002 0.000 0.217 228 D C 0.557 176.859 176.300 0.004 0.000 1.081 228 D CA 0.479 54.481 54.000 0.003 0.000 0.842 228 D CB -0.426 40.376 40.800 0.003 0.000 0.934 228 D HN 0.335 nan 8.370 nan 0.000 0.511 229 A N 0.539 123.361 122.820 0.004 0.000 2.351 229 A HA 0.594 4.915 4.320 0.002 0.000 0.257 229 A C 0.658 178.245 177.584 0.005 0.000 1.087 229 A CA -0.110 51.930 52.037 0.005 0.000 0.798 229 A CB 0.491 19.494 19.000 0.005 0.000 1.033 229 A HN 0.343 nan 8.150 nan 0.000 0.488 230 A N 2.465 125.288 122.820 0.006 0.000 2.346 230 A HA 0.590 4.911 4.320 0.002 0.000 0.252 230 A C -2.208 175.380 177.584 0.007 0.000 1.089 230 A CA -1.139 50.901 52.037 0.006 0.000 0.797 230 A CB -0.775 18.229 19.000 0.006 0.000 1.047 230 A HN 0.663 nan 8.150 nan 0.000 0.494 231 P HA 0.249 nan 4.420 nan 0.000 0.267 231 P C -0.918 176.387 177.300 0.008 0.000 1.200 231 P CA -0.077 63.028 63.100 0.007 0.000 0.772 231 P CB 0.511 32.216 31.700 0.008 0.000 0.855 232 V N 3.349 123.268 119.914 0.008 0.000 2.370 232 V HA 0.328 4.449 4.120 0.002 0.000 0.279 232 V C 0.112 176.211 176.094 0.007 0.000 1.029 232 V CA 0.046 62.351 62.300 0.009 0.000 0.870 232 V CB 1.397 33.226 31.823 0.010 0.000 0.984 232 V HN 0.543 nan 8.190 nan 0.000 0.451 233 T N 4.437 118.995 114.554 0.008 0.000 2.812 233 T HA 0.812 5.163 4.350 0.002 0.000 0.282 233 T C -0.317 174.383 174.700 0.000 0.000 0.990 233 T CA -0.388 61.714 62.100 0.003 0.000 0.960 233 T CB 1.661 70.534 68.868 0.008 0.000 0.948 233 T HN 0.937 nan 8.240 nan 0.000 0.438 234 A N 3.126 125.939 122.820 -0.011 0.000 2.549 234 A HA 0.778 5.099 4.320 0.002 0.000 0.297 234 A C -1.175 176.385 177.584 -0.040 0.000 1.061 234 A CA -0.805 51.228 52.037 -0.007 0.000 0.690 234 A CB 1.146 20.160 19.000 0.022 0.000 1.287 234 A HN 0.800 nan 8.150 nan 0.000 0.402 235 L N 2.442 123.639 121.223 -0.042 0.000 2.305 235 L HA 0.566 4.907 4.340 0.002 0.000 0.281 235 L C 0.110 176.950 176.870 -0.049 0.000 1.085 235 L CA -0.554 54.237 54.840 -0.083 0.000 0.813 235 L CB 0.680 42.692 42.059 -0.080 0.000 1.157 235 L HN 0.619 nan 8.230 nan 0.000 0.436 236 R N 1.044 121.499 120.500 -0.075 0.000 2.744 236 R HA 0.416 4.757 4.340 0.002 0.000 0.279 236 R C -0.367 175.885 176.300 -0.080 0.000 0.977 236 R CA -0.701 55.340 56.100 -0.098 0.000 0.906 236 R CB 2.180 32.419 30.300 -0.102 0.000 1.197 236 R HN 0.719 nan 8.270 nan 0.000 0.463 237 T N -1.661 112.832 114.554 -0.102 0.000 2.813 237 T HA 0.466 4.817 4.350 0.002 0.000 0.297 237 T C 0.708 175.399 174.700 -0.015 0.000 1.036 237 T CA -0.582 61.489 62.100 -0.047 0.000 1.044 237 T CB 0.867 69.701 68.868 -0.057 0.000 0.993 237 T HN 0.386 nan 8.240 nan 0.000 0.535 238 V N -1.573 118.367 119.914 0.044 0.000 3.040 238 V HA 0.672 4.793 4.120 0.002 0.000 0.312 238 V C -0.703 175.457 176.094 0.110 0.000 1.115 238 V CA -1.319 61.036 62.300 0.092 0.000 0.998 238 V CB 1.728 33.678 31.823 0.212 0.000 1.042 238 V HN 0.970 nan 8.190 nan 0.000 0.433 239 D N 1.684 122.145 120.400 0.102 0.000 2.345 239 D HA 0.276 4.917 4.640 0.002 0.000 0.247 239 D C -0.049 176.361 176.300 0.183 0.000 1.108 239 D CA 0.729 54.789 54.000 0.101 0.000 0.894 239 D CB 0.480 41.303 40.800 0.038 0.000 1.203 239 D HN 0.802 nan 8.370 nan 0.000 0.430 240 E N 2.311 122.601 120.200 0.150 0.000 2.811 240 E HA -0.151 4.200 4.350 0.002 0.000 0.150 240 E C -1.950 174.734 176.600 0.142 0.000 1.823 240 E CA 0.074 56.566 56.400 0.153 0.000 0.661 240 E CB -0.812 28.990 29.700 0.170 0.000 1.086 240 E HN 0.501 nan 8.360 nan 0.000 0.354 241 P HA -0.204 nan 4.420 nan 0.000 0.216 241 P C 1.354 178.660 177.300 0.010 0.000 1.150 241 P CA 2.228 65.365 63.100 0.061 0.000 0.843 241 P CB 0.185 31.932 31.700 0.078 0.000 0.787 242 A N -0.206 122.631 122.820 0.028 0.000 1.972 242 A HA -0.104 4.217 4.320 0.002 0.000 0.219 242 A C 2.287 179.860 177.584 -0.019 0.000 1.169 242 A CA 1.968 54.010 52.037 0.008 0.000 0.635 242 A CB -1.522 17.498 19.000 0.033 0.000 0.810 242 A HN 0.205 nan 8.150 nan 0.000 0.446 243 A N -0.588 122.229 122.820 -0.006 0.000 1.930 243 A HA 0.040 4.361 4.320 0.002 0.000 0.217 243 A C 2.081 179.456 177.584 -0.348 0.000 1.175 243 A CA 1.598 53.616 52.037 -0.032 0.000 0.627 243 A CB -0.497 18.612 19.000 0.182 0.000 0.815 243 A HN 0.678 nan 8.150 nan 0.000 0.443 244 L N -0.228 120.663 121.223 -0.554 0.000 2.093 244 L HA 0.030 4.371 4.340 0.002 0.000 0.208 244 L C 2.578 179.297 176.870 -0.252 0.000 1.085 244 L CA 2.056 56.443 54.840 -0.755 0.000 0.755 244 L CB -0.868 40.904 42.059 -0.479 0.000 0.904 244 L HN 0.313 nan 8.230 nan 0.000 0.435 245 A N -0.363 122.380 122.820 -0.128 0.000 1.908 245 A HA -0.085 4.236 4.320 0.002 0.000 0.218 245 A C 2.344 179.932 177.584 0.006 0.000 1.181 245 A CA 1.583 53.596 52.037 -0.041 0.000 0.627 245 A CB -1.591 17.386 19.000 -0.038 0.000 0.818 245 A HN 0.530 nan 8.150 nan 0.000 0.445 246 G N -1.272 107.523 108.800 -0.007 0.000 2.418 246 G HA2 -0.297 3.664 3.960 0.002 0.000 0.217 246 G HA3 -0.297 3.664 3.960 0.002 0.000 0.217 246 G C 1.498 176.448 174.900 0.083 0.000 1.158 246 G CA 1.464 46.598 45.100 0.056 0.000 0.771 246 G HN 0.751 nan 8.290 nan 0.000 0.545 247 H N 0.598 119.616 119.070 -0.087 0.000 2.321 247 H HA 0.077 4.634 4.556 0.002 0.000 0.300 247 H C 2.492 177.803 175.328 -0.028 0.000 1.087 247 H CA 1.489 57.495 56.048 -0.070 0.000 1.319 247 H CB -0.328 29.337 29.762 -0.162 0.000 1.379 247 H HN 0.271 nan 8.280 nan 0.000 0.501 248 L N -1.144 120.015 121.223 -0.106 0.000 2.056 248 L HA -0.137 4.204 4.340 0.002 0.000 0.207 248 L C 2.211 179.056 176.870 -0.043 0.000 1.078 248 L CA 1.154 55.922 54.840 -0.120 0.000 0.749 248 L CB -0.502 41.550 42.059 -0.012 0.000 0.901 248 L HN 0.263 nan 8.230 nan 0.000 0.433 249 F N 0.915 120.800 119.950 -0.109 0.000 2.186 249 F HA -0.203 4.325 4.527 0.001 0.000 0.299 249 F C 2.600 178.349 175.800 -0.085 0.000 1.090 249 F CA 1.536 59.488 58.000 -0.079 0.000 1.307 249 F CB -0.191 38.779 39.000 -0.051 0.000 1.019 249 F HN 0.106 nan 8.300 nan 0.000 0.489 250 E N 0.332 120.462 120.200 -0.118 0.000 2.106 250 E HA -0.218 4.133 4.350 0.002 0.000 0.192 250 E C 1.966 178.425 176.600 -0.237 0.000 0.984 250 E CA 1.457 57.745 56.400 -0.187 0.000 0.806 250 E CB -0.155 29.495 29.700 -0.084 0.000 0.750 250 E HN 0.580 nan 8.360 nan 0.000 0.458 251 E N 0.106 120.157 120.200 -0.248 0.000 2.106 251 E HA -0.148 4.203 4.350 0.002 0.000 0.192 251 E C 2.024 178.502 176.600 -0.203 0.000 0.984 251 E CA 0.873 57.139 56.400 -0.223 0.000 0.806 251 E CB -0.090 29.455 29.700 -0.259 0.000 0.750 251 E HN 0.294 nan 8.360 nan 0.000 0.458 252 A N 1.136 123.815 122.820 -0.235 0.000 1.930 252 A HA -0.142 4.178 4.320 0.002 0.000 0.217 252 A C 2.169 179.571 177.584 -0.304 0.000 1.175 252 A CA 0.935 52.834 52.037 -0.231 0.000 0.627 252 A CB -0.542 18.339 19.000 -0.199 0.000 0.815 252 A HN 0.119 nan 8.150 nan 0.000 0.443 253 L N -0.694 120.255 121.223 -0.455 0.000 2.017 253 L HA -0.212 4.129 4.340 0.002 0.000 0.208 253 L C 2.658 179.397 176.870 -0.217 0.000 1.073 253 L CA 1.726 56.330 54.840 -0.393 0.000 0.745 253 L CB -0.633 41.157 42.059 -0.449 0.000 0.894 253 L HN 0.474 nan 8.230 nan 0.000 0.432 254 E N -0.235 119.854 120.200 -0.184 0.000 2.085 254 E HA -0.193 4.158 4.350 0.002 0.000 0.194 254 E C 2.142 178.682 176.600 -0.100 0.000 0.994 254 E CA 1.562 57.890 56.400 -0.120 0.000 0.801 254 E CB -0.102 29.536 29.700 -0.103 0.000 0.743 254 E HN 0.374 nan 8.360 nan 0.000 0.453 255 S N 0.853 116.488 115.700 -0.108 0.000 2.547 255 S HA -0.014 4.457 4.470 0.002 0.000 0.235 255 S C 1.093 175.648 174.600 -0.075 0.000 0.980 255 S CA 0.395 58.546 58.200 -0.082 0.000 0.941 255 S CB -0.008 63.144 63.200 -0.079 0.000 0.763 255 S HN 0.232 nan 8.310 nan 0.000 0.532 256 N N 0.189 118.833 118.700 -0.092 0.000 2.234 256 N HA 0.196 4.937 4.740 0.002 0.000 0.227 256 N C 0.974 176.446 175.510 -0.064 0.000 1.151 256 N CA 0.563 53.567 53.050 -0.076 0.000 0.865 256 N CB 1.145 39.579 38.487 -0.089 0.000 1.066 256 N HN 0.465 nan 8.380 nan 0.000 0.515 257 G N 0.313 109.076 108.800 -0.062 0.000 2.176 257 G HA2 -0.260 3.701 3.960 0.002 0.000 0.253 257 G HA3 -0.260 3.701 3.960 0.002 0.000 0.253 257 G C 0.022 174.891 174.900 -0.052 0.000 0.979 257 G CA 0.031 45.102 45.100 -0.049 0.000 0.641 257 G HN 0.178 nan 8.290 nan 0.000 0.530 258 V N 1.904 121.774 119.914 -0.073 0.000 2.383 258 V HA 0.579 4.700 4.120 0.002 0.000 0.275 258 V C 0.562 176.611 176.094 -0.075 0.000 1.036 258 V CA 0.128 62.384 62.300 -0.073 0.000 0.889 258 V CB 1.526 33.290 31.823 -0.098 0.000 0.985 258 V HN 0.277 nan 8.190 nan 0.000 0.459 259 T N 4.839 119.362 114.554 -0.051 0.000 2.767 259 T HA 0.454 4.805 4.350 0.002 0.000 0.284 259 T C -0.182 174.496 174.700 -0.038 0.000 0.973 259 T CA -0.330 61.743 62.100 -0.045 0.000 0.996 259 T CB 1.427 70.277 68.868 -0.030 0.000 0.927 259 T HN 0.339 nan 8.240 nan 0.000 0.456 260 V N 5.556 125.445 119.914 -0.043 0.000 2.333 260 V HA 0.223 4.344 4.120 0.002 0.000 0.274 260 V C 1.232 177.311 176.094 -0.024 0.000 1.028 260 V CA -0.640 61.640 62.300 -0.033 0.000 0.851 260 V CB 1.063 32.860 31.823 -0.044 0.000 1.000 260 V HN 0.779 nan 8.190 nan 0.000 0.456 261 K N 3.212 123.603 120.400 -0.014 0.000 2.103 261 K HA 0.069 4.390 4.320 0.002 0.000 0.204 261 K C 1.357 177.951 176.600 -0.011 0.000 1.052 261 K CA 0.966 57.248 56.287 -0.009 0.000 0.945 261 K CB 0.113 32.612 32.500 -0.000 0.000 0.722 261 K HN 0.742 nan 8.250 nan 0.000 0.443 262 G N 1.245 110.034 108.800 -0.018 0.000 2.624 262 G HA2 0.089 4.050 3.960 0.002 0.000 0.217 262 G HA3 0.089 4.050 3.960 0.002 0.000 0.217 262 G C -0.212 174.657 174.900 -0.051 0.000 1.506 262 G CA -0.337 44.745 45.100 -0.030 0.000 1.072 262 G HN 0.027 nan 8.290 nan 0.000 0.568 263 D N -1.460 118.886 120.400 -0.090 0.000 2.442 263 D HA 0.519 5.160 4.640 0.002 0.000 0.254 263 D C -0.610 175.590 176.300 -0.167 0.000 1.069 263 D CA -0.215 53.725 54.000 -0.099 0.000 1.017 263 D CB 2.106 42.852 40.800 -0.089 0.000 1.172 263 D HN 0.052 nan 8.370 nan 0.000 0.561 264 V N -0.026 119.816 119.914 -0.119 0.000 2.495 264 V HA 0.783 4.904 4.120 0.002 0.000 0.298 264 V C 0.594 176.614 176.094 -0.123 0.000 1.031 264 V CA -0.312 61.912 62.300 -0.128 0.000 0.871 264 V CB 1.378 33.195 31.823 -0.009 0.000 0.988 264 V HN 0.775 nan 8.190 nan 0.000 0.432 265 G N 3.345 112.029 108.800 -0.193 0.000 2.619 265 G HA2 0.626 4.587 3.960 0.002 0.000 0.305 265 G HA3 0.626 4.587 3.960 0.002 0.000 0.305 265 G C -1.728 173.183 174.900 0.018 0.000 1.330 265 G CA -0.896 44.157 45.100 -0.078 0.000 0.789 265 G HN 0.555 nan 8.290 nan 0.000 0.487 266 L N 0.323 121.615 121.223 0.115 0.000 2.334 266 L HA 0.760 5.101 4.340 0.002 0.000 0.277 266 L C 0.655 177.695 176.870 0.284 0.000 1.075 266 L CA -0.215 54.725 54.840 0.167 0.000 0.804 266 L CB 1.506 43.637 42.059 0.120 0.000 1.174 266 L HN 0.994 nan 8.230 nan 0.000 0.438 267 G N 1.011 109.965 108.800 0.256 0.000 2.429 267 G HA2 0.462 4.423 3.960 0.002 0.000 0.300 267 G HA3 0.462 4.423 3.960 0.002 0.000 0.300 267 G C -1.223 173.785 174.900 0.179 0.000 1.598 267 G CA -0.371 44.828 45.100 0.166 0.000 0.863 267 G HN 0.784 nan 8.290 nan 0.000 0.614 268 G N -0.536 108.291 108.800 0.046 0.000 2.389 268 G HA2 0.625 4.586 3.960 0.002 0.000 0.328 268 G HA3 0.625 4.586 3.960 0.002 0.000 0.328 268 G C 0.237 174.902 174.900 -0.392 0.000 1.133 268 G CA -0.531 44.534 45.100 -0.059 0.000 0.891 268 G HN 1.204 nan 8.290 nan 0.000 0.485 269 V N 3.245 122.736 119.914 -0.705 0.000 2.625 269 V HA -0.045 4.075 4.120 0.002 0.000 0.305 269 V C -0.698 174.818 176.094 -0.964 0.000 1.055 269 V CA -0.247 61.266 62.300 -1.312 0.000 1.209 269 V CB 1.005 32.302 31.823 -0.878 0.000 0.877 269 V HN 0.685 nan 8.190 nan 0.000 0.489 270 P HA -0.289 nan 4.420 nan 0.000 0.218 270 P C 1.245 178.294 177.300 -0.418 0.000 1.150 270 P CA 2.051 64.712 63.100 -0.733 0.000 0.841 270 P CB 0.017 31.186 31.700 -0.886 0.000 0.784 271 A N -1.866 120.719 122.820 -0.391 0.000 4.284 271 A HA -0.345 3.976 4.320 0.002 0.000 0.264 271 A C 1.739 179.293 177.584 -0.049 0.000 0.856 271 A CA 1.834 53.775 52.037 -0.160 0.000 1.165 271 A CB -2.616 16.304 19.000 -0.133 0.000 1.059 271 A HN 0.332 nan 8.150 nan 0.000 0.803 272 D N -1.863 118.512 120.400 -0.041 0.000 2.323 272 D HA -0.019 4.622 4.640 0.002 0.000 0.209 272 D C 0.065 176.502 176.300 0.228 0.000 0.973 272 D CA 0.272 54.318 54.000 0.077 0.000 0.874 272 D CB -0.080 40.771 40.800 0.084 0.000 0.930 272 D HN 0.588 nan 8.370 nan 0.000 0.521 273 W N 2.406 123.668 121.300 -0.062 0.000 2.446 273 W HA 0.133 4.794 4.660 0.001 0.000 0.316 273 W C 1.511 178.005 176.519 -0.042 0.000 1.376 273 W CA -0.737 56.575 57.345 -0.054 0.000 1.300 273 W CB 0.471 29.882 29.460 -0.082 0.000 1.351 273 W HN -0.008 nan 8.180 nan 0.000 0.530 274 Q N 1.210 121.093 119.800 0.139 0.000 2.079 274 Q HA -0.134 4.207 4.340 0.002 0.000 0.200 274 Q C 0.076 176.110 176.000 0.057 0.000 0.974 274 Q CA 1.401 57.247 55.803 0.072 0.000 0.840 274 Q CB 0.054 28.811 28.738 0.033 0.000 0.898 274 Q HN 0.417 nan 8.270 nan 0.000 0.430 275 D N -0.568 119.856 120.400 0.039 0.000 2.429 275 D HA 0.367 5.008 4.640 0.002 0.000 0.255 275 D C -1.299 175.011 176.300 0.018 0.000 1.257 275 D CA -0.215 53.800 54.000 0.025 0.000 0.890 275 D CB 0.436 41.235 40.800 -0.002 0.000 1.267 275 D HN 0.108 nan 8.370 nan 0.000 0.521 276 A N 2.432 125.307 122.820 0.092 0.000 2.531 276 A HA 0.338 4.659 4.320 0.002 0.000 0.236 276 A C 0.381 177.994 177.584 0.049 0.000 1.062 276 A CA 0.064 52.179 52.037 0.129 0.000 0.760 276 A CB 0.374 19.539 19.000 0.276 0.000 0.995 276 A HN 0.490 nan 8.150 nan 0.000 0.501 277 E N 1.840 122.049 120.200 0.015 0.000 2.092 277 E HA 0.452 4.803 4.350 0.002 0.000 0.271 277 E C -1.107 175.522 176.600 0.047 0.000 0.919 277 E CA -0.405 56.000 56.400 0.008 0.000 0.760 277 E CB 1.102 30.782 29.700 -0.034 0.000 1.106 277 E HN 0.348 nan 8.360 nan 0.000 0.408 278 V N 7.396 127.336 119.914 0.043 0.000 2.405 278 V HA 0.053 4.174 4.120 0.002 0.000 0.264 278 V C 1.105 177.226 176.094 0.044 0.000 1.048 278 V CA 0.157 62.486 62.300 0.048 0.000 0.966 278 V CB 0.572 32.410 31.823 0.024 0.000 1.015 278 V HN 0.843 nan 8.190 nan 0.000 0.477 279 L N 4.064 125.326 121.223 0.064 0.000 2.477 279 L HA 0.487 4.828 4.340 0.002 0.000 0.220 279 L C 0.889 177.800 176.870 0.068 0.000 1.106 279 L CA 0.654 55.533 54.840 0.064 0.000 0.851 279 L CB 0.076 42.186 42.059 0.085 0.000 0.994 279 L HN 0.751 nan 8.230 nan 0.000 0.462 280 A N 0.297 123.157 122.820 0.067 0.000 2.605 280 A HA 0.585 4.906 4.320 0.002 0.000 0.294 280 A C -1.898 175.708 177.584 0.036 0.000 1.062 280 A CA -0.568 51.508 52.037 0.065 0.000 0.682 280 A CB 1.446 20.514 19.000 0.113 0.000 1.278 280 A HN 0.174 nan 8.150 nan 0.000 0.410 281 D N -0.723 119.700 120.400 0.038 0.000 2.622 281 D HA 0.636 5.277 4.640 0.002 0.000 0.255 281 D C -0.940 175.410 176.300 0.084 0.000 1.246 281 D CA -0.334 53.680 54.000 0.024 0.000 0.795 281 D CB 1.073 41.867 40.800 -0.010 0.000 1.369 281 D HN 0.771 nan 8.370 nan 0.000 0.425 282 H N -1.266 117.768 119.070 -0.060 0.000 2.930 282 H HA 0.706 5.263 4.556 0.002 0.000 0.371 282 H C -1.558 173.729 175.328 -0.068 0.000 1.169 282 H CA -0.371 55.646 56.048 -0.051 0.000 1.157 282 H CB 2.385 32.121 29.762 -0.044 0.000 1.789 282 H HN 0.405 nan 8.280 nan 0.000 0.547 283 T N 3.308 117.426 114.554 -0.728 0.000 2.812 283 T HA 0.379 4.730 4.350 0.002 0.000 0.282 283 T C -0.191 174.090 174.700 -0.700 0.000 0.990 283 T CA -0.562 61.206 62.100 -0.553 0.000 0.960 283 T CB 0.881 69.569 68.868 -0.300 0.000 0.948 283 T HN 0.744 nan 8.240 nan 0.000 0.438 284 S N 2.692 118.141 115.700 -0.418 0.000 2.626 284 S HA 0.712 5.183 4.470 0.002 0.000 0.257 284 S C 0.770 175.290 174.600 -0.132 0.000 1.288 284 S CA -0.698 57.372 58.200 -0.217 0.000 0.980 284 S CB 0.385 63.558 63.200 -0.044 0.000 0.975 284 S HN 0.931 nan 8.310 nan 0.000 0.577 285 A N 0.342 123.123 122.820 -0.064 0.000 2.310 285 A HA 0.383 4.704 4.320 0.002 0.000 0.260 285 A C 0.519 178.098 177.584 -0.008 0.000 1.112 285 A CA -0.611 51.411 52.037 -0.026 0.000 0.804 285 A CB -0.314 18.691 19.000 0.007 0.000 1.081 285 A HN 0.877 nan 8.150 nan 0.000 0.499 286 E N -0.426 119.777 120.200 0.004 0.000 2.390 286 E HA 0.098 4.449 4.350 0.002 0.000 0.261 286 E C 0.759 177.407 176.600 0.080 0.000 1.076 286 E CA -0.533 55.876 56.400 0.014 0.000 0.905 286 E CB 0.557 30.267 29.700 0.016 0.000 0.984 286 E HN 0.573 nan 8.360 nan 0.000 0.427 287 L N 2.999 124.290 121.223 0.114 0.000 2.081 287 L HA -0.275 4.066 4.340 0.002 0.000 0.212 287 L C 2.274 179.234 176.870 0.149 0.000 1.080 287 L CA 2.511 57.456 54.840 0.176 0.000 0.754 287 L CB -0.852 41.315 42.059 0.179 0.000 0.893 287 L HN 0.676 nan 8.230 nan 0.000 0.433 288 S N -1.399 114.377 115.700 0.126 0.000 2.400 288 S HA -0.181 4.290 4.470 0.002 0.000 0.232 288 S C 1.719 176.404 174.600 0.142 0.000 1.025 288 S CA 1.269 59.551 58.200 0.137 0.000 0.993 288 S CB -0.596 62.680 63.200 0.127 0.000 0.808 288 S HN 0.601 nan 8.310 nan 0.000 0.478 289 E N 1.416 121.693 120.200 0.129 0.000 2.122 289 E HA 0.210 4.561 4.350 0.002 0.000 0.190 289 E C 2.120 178.825 176.600 0.175 0.000 0.977 289 E CA 0.527 57.013 56.400 0.143 0.000 0.820 289 E CB -0.476 29.294 29.700 0.117 0.000 0.770 289 E HN 0.600 nan 8.360 nan 0.000 0.462 290 I N 1.193 121.849 120.570 0.144 0.000 2.454 290 I HA -0.209 3.962 4.170 0.002 0.000 0.254 290 I C 2.233 178.501 176.117 0.253 0.000 1.156 290 I CA 0.632 62.011 61.300 0.131 0.000 1.433 290 I CB -0.244 37.768 38.000 0.019 0.000 1.082 290 I HN 0.025 nan 8.210 nan 0.000 0.432 291 L N -0.080 121.300 121.223 0.261 0.000 2.191 291 L HA -0.190 4.151 4.340 0.002 0.000 0.212 291 L C 2.483 179.489 176.870 0.227 0.000 1.103 291 L CA 0.814 55.845 54.840 0.319 0.000 0.769 291 L CB -0.551 41.641 42.059 0.220 0.000 0.908 291 L HN 0.126 nan 8.230 nan 0.000 0.438 292 V N 0.561 120.600 119.914 0.208 0.000 2.229 292 V HA -0.149 3.972 4.120 0.002 0.000 0.243 292 V C -0.101 176.058 176.094 0.109 0.000 1.042 292 V CA 2.026 64.409 62.300 0.137 0.000 1.000 292 V CB -1.837 30.122 31.823 0.226 0.000 0.637 292 V HN 0.360 nan 8.190 nan 0.000 0.446 293 P HA -0.217 nan 4.420 nan 0.000 0.220 293 P C 1.784 179.328 177.300 0.406 0.000 1.148 293 P CA 1.727 65.058 63.100 0.386 0.000 0.803 293 P CB -0.155 31.958 31.700 0.689 0.000 0.782 294 F N 0.611 120.736 119.950 0.292 0.000 2.031 294 F HA -0.184 4.344 4.527 0.002 0.000 0.295 294 F C 2.186 178.029 175.800 0.072 0.000 1.133 294 F CA 1.303 59.469 58.000 0.276 0.000 1.188 294 F CB -0.296 38.887 39.000 0.304 0.000 0.974 294 F HN -0.283 nan 8.300 nan 0.000 0.473 295 M N 0.423 119.831 119.600 -0.320 0.000 2.236 295 M HA -0.089 4.392 4.480 0.002 0.000 0.266 295 M C 1.891 177.957 176.300 -0.390 0.000 1.070 295 M CA 1.130 56.105 55.300 -0.541 0.000 1.137 295 M CB -1.049 31.229 32.600 -0.537 0.000 1.378 295 M HN 0.098 nan 8.290 nan 0.000 0.426 296 K N 0.174 120.320 120.400 -0.424 0.000 2.057 296 K HA -0.076 4.245 4.320 0.002 0.000 0.207 296 K C 1.577 177.729 176.600 -0.747 0.000 1.049 296 K CA 1.402 57.283 56.287 -0.677 0.000 0.931 296 K CB -0.344 31.528 32.500 -1.047 0.000 0.714 296 K HN 0.307 nan 8.250 nan 0.000 0.440 297 F N 0.231 120.091 119.950 -0.150 0.000 2.678 297 F HA 0.226 4.754 4.527 0.002 0.000 0.305 297 F C 0.650 176.402 175.800 -0.080 0.000 1.090 297 F CA -0.535 57.391 58.000 -0.123 0.000 1.272 297 F CB -0.003 38.913 39.000 -0.139 0.000 1.060 297 F HN -0.214 nan 8.300 nan 0.000 0.576 298 S N 1.366 117.073 115.700 0.013 0.000 3.667 298 S HA -0.306 4.165 4.470 0.002 0.000 0.405 298 S C 0.100 174.775 174.600 0.125 0.000 0.913 298 S CA 0.125 58.332 58.200 0.012 0.000 1.288 298 S CB -1.926 61.259 63.200 -0.025 0.000 0.905 298 S HN 0.613 nan 8.310 nan 0.000 0.550 299 N N 1.630 120.469 118.700 0.231 0.000 2.399 299 N HA 0.277 5.018 4.740 0.002 0.000 0.259 299 N C 1.196 176.850 175.510 0.240 0.000 1.160 299 N CA -0.473 52.663 53.050 0.144 0.000 0.946 299 N CB 0.355 38.738 38.487 -0.172 0.000 1.156 299 N HN 0.380 nan 8.380 nan 0.000 0.489 300 N N 2.635 121.441 118.700 0.176 0.000 2.084 300 N HA -0.117 4.624 4.740 0.002 0.000 0.190 300 N C 1.807 177.461 175.510 0.240 0.000 1.030 300 N CA 1.259 54.434 53.050 0.210 0.000 0.849 300 N CB -0.538 38.023 38.487 0.124 0.000 1.012 300 N HN 0.687 nan 8.380 nan 0.000 0.423 301 G N 0.739 109.654 108.800 0.193 0.000 2.440 301 G HA2 -0.279 3.682 3.960 0.002 0.000 0.218 301 G HA3 -0.279 3.682 3.960 0.002 0.000 0.218 301 G C 1.261 176.293 174.900 0.221 0.000 1.154 301 G CA 1.028 46.265 45.100 0.229 0.000 0.767 301 G HN 0.356 nan 8.290 nan 0.000 0.552 302 H N 1.036 120.099 119.070 -0.012 0.000 2.319 302 H HA 0.005 4.562 4.556 0.002 0.000 0.297 302 H C 2.886 177.950 175.328 -0.440 0.000 1.097 302 H CA 1.175 57.054 56.048 -0.283 0.000 1.285 302 H CB -0.801 28.693 29.762 -0.446 0.000 1.368 302 H HN 0.374 nan 8.280 nan 0.000 0.495 303 A N 1.267 123.995 122.820 -0.152 0.000 1.883 303 A HA -0.178 4.143 4.320 0.002 0.000 0.217 303 A C 2.271 179.922 177.584 0.112 0.000 1.186 303 A CA 1.830 53.875 52.037 0.013 0.000 0.624 303 A CB -0.187 19.044 19.000 0.386 0.000 0.822 303 A HN 0.332 nan 8.150 nan 0.000 0.444 304 E N -0.301 120.030 120.200 0.219 0.000 2.106 304 E HA -0.145 4.206 4.350 0.002 0.000 0.192 304 E C 2.055 178.632 176.600 -0.039 0.000 0.984 304 E CA 1.172 57.723 56.400 0.252 0.000 0.806 304 E CB -0.500 29.496 29.700 0.494 0.000 0.750 304 E HN 0.731 nan 8.360 nan 0.000 0.458 305 M N 0.185 119.783 119.600 -0.003 0.000 2.132 305 M HA -0.098 4.383 4.480 0.002 0.000 0.263 305 M C 2.374 178.653 176.300 -0.034 0.000 1.065 305 M CA 1.117 56.428 55.300 0.019 0.000 1.122 305 M CB -0.266 32.389 32.600 0.093 0.000 1.365 305 M HN 0.051 nan 8.290 nan 0.000 0.411 306 L N -0.649 120.531 121.223 -0.071 0.000 2.083 306 L HA -0.182 4.159 4.340 0.002 0.000 0.209 306 L C 2.377 179.230 176.870 -0.028 0.000 1.083 306 L CA 0.768 55.596 54.840 -0.020 0.000 0.752 306 L CB -0.639 41.383 42.059 -0.062 0.000 0.899 306 L HN 0.137 nan 8.230 nan 0.000 0.433 307 V N -0.055 119.819 119.914 -0.067 0.000 2.343 307 V HA -0.286 3.835 4.120 0.002 0.000 0.247 307 V C 2.427 178.369 176.094 -0.254 0.000 1.051 307 V CA 1.757 64.007 62.300 -0.083 0.000 1.036 307 V CB -0.506 31.328 31.823 0.018 0.000 0.654 307 V HN 0.437 nan 8.190 nan 0.000 0.451 308 K N -0.115 119.957 120.400 -0.548 0.000 2.155 308 K HA -0.079 4.242 4.320 0.002 0.000 0.203 308 K C 2.393 178.685 176.600 -0.513 0.000 1.052 308 K CA 1.431 57.192 56.287 -0.877 0.000 0.948 308 K CB -0.243 31.128 32.500 -1.882 0.000 0.728 308 K HN 0.363 nan 8.250 nan 0.000 0.448 309 S N 1.459 117.090 115.700 -0.116 0.000 2.383 309 S HA -0.056 4.415 4.470 0.002 0.000 0.227 309 S C 1.937 176.584 174.600 0.079 0.000 1.026 309 S CA 0.888 59.267 58.200 0.298 0.000 0.981 309 S CB -0.155 63.358 63.200 0.523 0.000 0.818 309 S HN 0.208 nan 8.310 nan 0.000 0.472 310 I N 1.361 121.923 120.570 -0.013 0.000 2.226 310 I HA -0.142 4.029 4.170 0.002 0.000 0.245 310 I C 2.654 178.731 176.117 -0.066 0.000 1.100 310 I CA 1.143 62.421 61.300 -0.037 0.000 1.374 310 I CB -0.767 37.216 38.000 -0.029 0.000 1.057 310 I HN 0.367 nan 8.210 nan 0.000 0.413 311 G N -0.227 108.501 108.800 -0.119 0.000 2.422 311 G HA2 -0.232 3.729 3.960 0.002 0.000 0.218 311 G HA3 -0.232 3.729 3.960 0.002 0.000 0.218 311 G C 1.609 176.420 174.900 -0.149 0.000 1.146 311 G CA 0.287 45.303 45.100 -0.140 0.000 0.769 311 G HN 0.251 nan 8.290 nan 0.000 0.547 312 Q N 0.081 119.777 119.800 -0.174 0.000 2.050 312 Q HA -0.099 4.242 4.340 0.002 0.000 0.202 312 Q C 2.483 178.414 176.000 -0.114 0.000 0.980 312 Q CA 1.680 57.339 55.803 -0.240 0.000 0.840 312 Q CB -0.295 28.221 28.738 -0.370 0.000 0.898 312 Q HN 0.577 nan 8.270 nan 0.000 0.424 313 E N -0.442 119.738 120.200 -0.032 0.000 2.106 313 E HA -0.099 4.252 4.350 0.002 0.000 0.192 313 E C 1.725 178.311 176.600 -0.023 0.000 0.984 313 E CA 1.767 58.164 56.400 -0.004 0.000 0.806 313 E CB -0.074 29.616 29.700 -0.017 0.000 0.750 313 E HN 0.220 nan 8.360 nan 0.000 0.458 314 T N -1.047 113.483 114.554 -0.040 0.000 2.894 314 T HA 0.207 4.558 4.350 0.002 0.000 0.258 314 T C 1.236 175.911 174.700 -0.042 0.000 1.043 314 T CA 1.140 63.219 62.100 -0.035 0.000 1.141 314 T CB 0.095 68.943 68.868 -0.033 0.000 0.873 314 T HN 0.254 nan 8.240 nan 0.000 0.449 315 A N -0.325 122.456 122.820 -0.064 0.000 2.628 315 A HA 0.615 4.936 4.320 0.002 0.000 0.267 315 A C 1.426 178.958 177.584 -0.088 0.000 1.159 315 A CA 0.505 52.503 52.037 -0.065 0.000 0.972 315 A CB -0.068 18.894 19.000 -0.064 0.000 1.211 315 A HN 0.591 nan 8.150 nan 0.000 0.576 316 G N -0.784 107.946 108.800 -0.115 0.000 2.198 316 G HA2 0.151 4.112 3.960 0.002 0.000 0.260 316 G HA3 0.151 4.112 3.960 0.002 0.000 0.260 316 G C 0.264 175.044 174.900 -0.201 0.000 1.025 316 G CA 0.422 45.426 45.100 -0.160 0.000 0.769 316 G HN 1.894 nan 8.290 nan 0.000 0.507 317 A N -0.267 122.432 122.820 -0.203 0.000 2.375 317 A HA 0.776 5.097 4.320 0.002 0.000 0.291 317 A C 0.553 177.986 177.584 -0.251 0.000 1.160 317 A CA 0.441 52.358 52.037 -0.201 0.000 0.747 317 A CB 1.249 20.166 19.000 -0.137 0.000 1.170 317 A HN 1.675 nan 8.150 nan 0.000 0.458 318 G N 2.599 111.222 108.800 -0.295 0.000 3.101 318 G HA2 0.451 4.412 3.960 0.002 0.000 0.272 318 G HA3 0.451 4.412 3.960 0.002 0.000 0.272 318 G C 0.306 174.945 174.900 -0.436 0.000 0.801 318 G CA 0.623 45.499 45.100 -0.373 0.000 1.978 318 G HN 1.117 nan 8.290 nan 0.000 0.591 319 T N -3.196 111.130 114.554 -0.379 0.000 2.901 319 T HA 0.365 4.716 4.350 0.002 0.000 0.293 319 T C 0.602 175.135 174.700 -0.278 0.000 1.084 319 T CA -0.939 60.968 62.100 -0.321 0.000 1.008 319 T CB 1.688 70.467 68.868 -0.149 0.000 1.170 319 T HN 0.206 nan 8.240 nan 0.000 0.509 320 W N 0.821 122.007 121.300 -0.189 0.000 2.381 320 W HA -0.028 4.633 4.660 0.001 0.000 0.301 320 W C 1.544 177.986 176.519 -0.129 0.000 1.205 320 W CA 1.248 58.493 57.345 -0.167 0.000 1.285 320 W CB -0.611 28.746 29.460 -0.172 0.000 1.133 320 W HN 0.798 nan 8.180 nan 0.000 0.521 321 D N 0.028 120.495 120.400 0.113 0.000 2.092 321 D HA -0.163 4.478 4.640 0.002 0.000 0.193 321 D C 2.229 178.529 176.300 0.001 0.000 0.994 321 D CA 2.207 56.230 54.000 0.037 0.000 0.828 321 D CB -0.800 40.007 40.800 0.011 0.000 0.963 321 D HN 0.017 nan 8.370 nan 0.000 0.450 322 A N 0.706 123.505 122.820 -0.035 0.000 1.930 322 A HA 0.008 4.329 4.320 0.002 0.000 0.217 322 A C 2.359 179.910 177.584 -0.055 0.000 1.175 322 A CA 2.057 54.061 52.037 -0.055 0.000 0.627 322 A CB -0.958 17.990 19.000 -0.088 0.000 0.815 322 A HN 0.310 nan 8.150 nan 0.000 0.443 323 G N -0.344 108.413 108.800 -0.072 0.000 2.402 323 G HA2 -0.102 3.859 3.960 0.002 0.000 0.216 323 G HA3 -0.102 3.859 3.960 0.002 0.000 0.216 323 G C 1.356 176.256 174.900 -0.000 0.000 1.162 323 G CA 0.931 45.992 45.100 -0.066 0.000 0.777 323 G HN 0.329 nan 8.290 nan 0.000 0.539 324 L N 0.721 121.967 121.223 0.038 0.000 2.141 324 L HA 0.002 4.343 4.340 0.002 0.000 0.209 324 L C 3.080 179.961 176.870 0.017 0.000 1.094 324 L CA 0.827 55.694 54.840 0.044 0.000 0.763 324 L CB -0.994 41.094 42.059 0.049 0.000 0.908 324 L HN 0.108 nan 8.230 nan 0.000 0.437 325 V N 0.178 120.094 119.914 0.004 0.000 2.358 325 V HA -0.173 3.948 4.120 0.002 0.000 0.246 325 V C 2.672 178.766 176.094 0.001 0.000 1.047 325 V CA 1.787 64.085 62.300 -0.003 0.000 1.035 325 V CB -1.128 30.689 31.823 -0.011 0.000 0.658 325 V HN 0.521 nan 8.190 nan 0.000 0.452 326 G N -0.302 108.496 108.800 -0.004 0.000 2.422 326 G HA2 -0.198 3.763 3.960 0.002 0.000 0.218 326 G HA3 -0.198 3.763 3.960 0.002 0.000 0.218 326 G C 1.670 176.579 174.900 0.017 0.000 1.146 326 G CA 1.216 46.315 45.100 -0.001 0.000 0.769 326 G HN 0.374 nan 8.290 nan 0.000 0.547 327 V N 0.697 120.628 119.914 0.028 0.000 2.261 327 V HA -0.164 3.957 4.120 0.002 0.000 0.246 327 V C 2.762 178.889 176.094 0.056 0.000 1.047 327 V CA 2.118 64.451 62.300 0.055 0.000 1.015 327 V CB -0.274 31.593 31.823 0.074 0.000 0.642 327 V HN 0.400 nan 8.190 nan 0.000 0.446 328 E N 0.481 120.701 120.200 0.034 0.000 2.058 328 E HA -0.258 4.093 4.350 0.002 0.000 0.194 328 E C 2.172 178.791 176.600 0.033 0.000 0.997 328 E CA 1.849 58.264 56.400 0.026 0.000 0.801 328 E CB -0.137 29.565 29.700 0.003 0.000 0.746 328 E HN 0.720 nan 8.360 nan 0.000 0.450 329 E N 0.001 120.216 120.200 0.025 0.000 2.110 329 E HA -0.149 4.202 4.350 0.002 0.000 0.193 329 E C 2.047 178.669 176.600 0.036 0.000 0.988 329 E CA 0.926 57.340 56.400 0.025 0.000 0.804 329 E CB -0.136 29.573 29.700 0.015 0.000 0.745 329 E HN 0.316 nan 8.360 nan 0.000 0.458 330 A N 1.260 124.106 122.820 0.043 0.000 1.902 330 A HA -0.153 4.168 4.320 0.002 0.000 0.217 330 A C 2.198 179.827 177.584 0.075 0.000 1.181 330 A CA 1.013 53.083 52.037 0.055 0.000 0.623 330 A CB -0.583 18.447 19.000 0.050 0.000 0.818 330 A HN 0.117 nan 8.150 nan 0.000 0.443 331 L N -0.578 120.697 121.223 0.088 0.000 2.056 331 L HA -0.153 4.188 4.340 0.002 0.000 0.207 331 L C 2.861 179.781 176.870 0.084 0.000 1.078 331 L CA 1.472 56.379 54.840 0.112 0.000 0.749 331 L CB -0.482 41.672 42.059 0.158 0.000 0.901 331 L HN 0.316 nan 8.230 nan 0.000 0.433 332 S N 0.099 115.837 115.700 0.063 0.000 2.368 332 S HA -0.131 4.340 4.470 0.002 0.000 0.225 332 S C 1.958 176.582 174.600 0.040 0.000 1.030 332 S CA 1.268 59.495 58.200 0.046 0.000 0.999 332 S CB -0.569 62.650 63.200 0.032 0.000 0.844 332 S HN 0.612 nan 8.310 nan 0.000 0.459 333 G N 0.673 109.499 108.800 0.042 0.000 2.509 333 G HA2 -0.074 3.887 3.960 0.002 0.000 0.218 333 G HA3 -0.074 3.887 3.960 0.002 0.000 0.218 333 G C 1.161 176.085 174.900 0.040 0.000 1.124 333 G CA 0.288 45.410 45.100 0.037 0.000 0.776 333 G HN 0.430 nan 8.290 nan 0.000 0.547 334 L N 0.091 121.345 121.223 0.052 0.000 2.558 334 L HA 0.404 4.745 4.340 0.002 0.000 0.225 334 L C 1.797 178.678 176.870 0.019 0.000 1.128 334 L CA 1.194 56.062 54.840 0.046 0.000 0.868 334 L CB 0.128 42.237 42.059 0.083 0.000 1.006 334 L HN 0.318 nan 8.230 nan 0.000 0.454 335 G N -1.150 107.665 108.800 0.025 0.000 2.163 335 G HA2 -0.190 3.771 3.960 0.002 0.000 0.213 335 G HA3 -0.190 3.771 3.960 0.002 0.000 0.213 335 G C 0.053 174.971 174.900 0.030 0.000 0.991 335 G CA 0.035 45.145 45.100 0.017 0.000 0.653 335 G HN 0.160 nan 8.290 nan 0.000 0.518 336 V N 1.571 121.515 119.914 0.049 0.000 2.432 336 V HA 0.439 4.560 4.120 0.002 0.000 0.275 336 V C 0.286 176.420 176.094 0.067 0.000 1.043 336 V CA -0.710 61.632 62.300 0.071 0.000 0.925 336 V CB 1.772 33.665 31.823 0.116 0.000 0.985 336 V HN 0.331 nan 8.190 nan 0.000 0.466 337 D N 3.831 124.268 120.400 0.061 0.000 2.338 337 D HA 0.056 4.697 4.640 0.002 0.000 0.255 337 D C 1.187 177.517 176.300 0.051 0.000 1.237 337 D CA 0.044 54.072 54.000 0.046 0.000 0.883 337 D CB 1.539 42.361 40.800 0.038 0.000 1.087 337 D HN 0.751 nan 8.370 nan 0.000 0.485 338 T N 0.892 115.467 114.554 0.035 0.000 3.144 338 T HA 0.252 4.602 4.350 0.002 0.000 0.249 338 T C 1.744 176.438 174.700 -0.010 0.000 1.089 338 T CA 0.262 62.370 62.100 0.013 0.000 0.989 338 T CB 0.280 69.151 68.868 0.006 0.000 0.992 338 T HN 0.266 nan 8.240 nan 0.000 0.540 339 A N 1.944 124.764 122.820 0.001 0.000 1.927 339 A HA 0.094 4.415 4.320 0.002 0.000 0.220 339 A C 2.419 179.993 177.584 -0.015 0.000 1.185 339 A CA 1.670 53.704 52.037 -0.006 0.000 0.639 339 A CB -1.392 17.610 19.000 0.002 0.000 0.820 339 A HN 0.658 nan 8.150 nan 0.000 0.451 340 G N -1.459 107.333 108.800 -0.014 0.000 3.141 340 G HA2 0.422 4.383 3.960 0.002 0.000 0.218 340 G HA3 0.422 4.383 3.960 0.002 0.000 0.218 340 G C 0.285 175.152 174.900 -0.054 0.000 1.170 340 G CA -0.336 44.751 45.100 -0.023 0.000 0.769 340 G HN 0.363 nan 8.290 nan 0.000 0.546 341 L N 0.933 122.106 121.223 -0.083 0.000 2.307 341 L HA 0.520 4.861 4.340 0.002 0.000 0.282 341 L C -0.641 176.156 176.870 -0.122 0.000 1.051 341 L CA -0.794 53.954 54.840 -0.153 0.000 0.804 341 L CB 2.274 44.191 42.059 -0.237 0.000 1.197 341 L HN -0.219 nan 8.230 nan 0.000 0.431 342 V N 4.994 124.829 119.914 -0.131 0.000 2.409 342 V HA 0.359 4.480 4.120 0.002 0.000 0.290 342 V C -0.160 175.866 176.094 -0.112 0.000 1.017 342 V CA -0.400 61.842 62.300 -0.097 0.000 0.841 342 V CB 1.788 33.568 31.823 -0.072 0.000 1.003 342 V HN 0.500 nan 8.190 nan 0.000 0.426 343 L N 4.208 125.373 121.223 -0.098 0.000 2.262 343 L HA 0.517 4.858 4.340 0.002 0.000 0.288 343 L C 0.771 177.598 176.870 -0.072 0.000 1.035 343 L CA -0.230 54.560 54.840 -0.083 0.000 0.820 343 L CB 1.143 43.164 42.059 -0.063 0.000 1.204 343 L HN 0.579 nan 8.230 nan 0.000 0.424 344 N N 1.112 119.762 118.700 -0.083 0.000 2.332 344 N HA 0.008 4.749 4.740 0.002 0.000 0.190 344 N C -0.573 174.813 175.510 -0.207 0.000 1.117 344 N CA 0.193 53.162 53.050 -0.136 0.000 0.883 344 N CB 0.732 39.140 38.487 -0.133 0.000 1.089 344 N HN 0.822 nan 8.380 nan 0.000 0.480 345 D N -3.484 116.860 120.400 -0.094 0.000 2.692 345 D HA 0.266 4.907 4.640 0.002 0.000 0.290 345 D C 0.569 176.951 176.300 0.138 0.000 1.281 345 D CA -0.566 53.408 54.000 -0.045 0.000 0.804 345 D CB 0.433 41.199 40.800 -0.056 0.000 1.331 345 D HN -0.095 nan 8.370 nan 0.000 0.432 346 G N -1.041 107.918 108.800 0.265 0.000 2.719 346 G HA2 0.031 3.992 3.960 0.002 0.000 0.211 346 G HA3 0.031 3.992 3.960 0.002 0.000 0.211 346 G C 1.124 176.204 174.900 0.299 0.000 1.140 346 G CA 0.807 46.071 45.100 0.273 0.000 0.790 346 G HN 0.594 nan 8.290 nan 0.000 0.529 347 S N -0.582 115.308 115.700 0.317 0.000 2.425 347 S HA 0.332 4.803 4.470 0.002 0.000 0.225 347 S C 1.967 176.675 174.600 0.180 0.000 1.024 347 S CA 1.284 59.653 58.200 0.283 0.000 0.951 347 S CB -0.084 63.286 63.200 0.283 0.000 0.796 347 S HN 1.433 nan 8.310 nan 0.000 0.498 348 G N 0.843 109.737 108.800 0.156 0.000 2.176 348 G HA2 -0.212 3.749 3.960 0.002 0.000 0.232 348 G HA3 -0.212 3.749 3.960 0.002 0.000 0.232 348 G C 0.515 175.423 174.900 0.013 0.000 0.986 348 G CA 0.270 45.417 45.100 0.079 0.000 0.643 348 G HN 0.454 nan 8.290 nan 0.000 0.522 349 L N 0.950 122.181 121.223 0.014 0.000 2.083 349 L HA 0.128 4.469 4.340 0.002 0.000 0.209 349 L C 1.927 178.720 176.870 -0.128 0.000 1.083 349 L CA 1.614 56.349 54.840 -0.174 0.000 0.752 349 L CB -0.386 41.387 42.059 -0.478 0.000 0.899 349 L HN 0.421 nan 8.230 nan 0.000 0.433 350 S N 0.018 115.799 115.700 0.136 0.000 2.537 350 S HA -0.005 4.466 4.470 0.002 0.000 0.286 350 S C 1.220 175.788 174.600 -0.054 0.000 1.299 350 S CA -0.384 57.878 58.200 0.104 0.000 1.067 350 S CB 0.513 63.767 63.200 0.090 0.000 0.864 350 S HN 0.252 nan 8.310 nan 0.000 0.494 351 R N 3.495 123.924 120.500 -0.118 0.000 2.313 351 R HA 0.035 4.376 4.340 0.002 0.000 0.199 351 R C 1.663 177.930 176.300 -0.056 0.000 0.958 351 R CA 0.661 56.694 56.100 -0.112 0.000 1.047 351 R CB -0.368 29.851 30.300 -0.136 0.000 0.955 351 R HN 0.735 nan 8.270 nan 0.000 0.481 352 G N 0.349 109.118 108.800 -0.052 0.000 3.088 352 G HA2 -0.026 3.935 3.960 0.002 0.000 0.217 352 G HA3 -0.026 3.935 3.960 0.002 0.000 0.217 352 G C 0.344 175.211 174.900 -0.054 0.000 1.159 352 G CA -0.327 44.743 45.100 -0.050 0.000 0.760 352 G HN 0.124 nan 8.290 nan 0.000 0.550 353 N N 0.508 119.178 118.700 -0.049 0.000 2.530 353 N HA 0.545 5.286 4.740 0.002 0.000 0.277 353 N C -0.739 174.739 175.510 -0.053 0.000 1.168 353 N CA 0.118 53.135 53.050 -0.054 0.000 0.979 353 N CB 1.863 40.329 38.487 -0.036 0.000 1.141 353 N HN -0.002 nan 8.380 nan 0.000 0.459 354 L N 0.931 122.110 121.223 -0.074 0.000 2.445 354 L HA 0.575 4.916 4.340 0.002 0.000 0.262 354 L C -0.271 176.538 176.870 -0.102 0.000 0.974 354 L CA -0.924 53.877 54.840 -0.065 0.000 0.822 354 L CB 2.085 44.113 42.059 -0.052 0.000 1.339 354 L HN 0.290 nan 8.230 nan 0.000 0.409 355 V N -0.822 119.055 119.914 -0.063 0.000 3.103 355 V HA 0.924 5.045 4.120 0.002 0.000 0.311 355 V C -0.644 175.454 176.094 0.008 0.000 1.322 355 V CA -0.504 61.758 62.300 -0.063 0.000 1.063 355 V CB 2.191 34.014 31.823 -0.001 0.000 1.090 355 V HN 0.841 nan 8.190 nan 0.000 0.462 356 T N -2.596 111.987 114.554 0.049 0.000 2.909 356 T HA 0.785 5.136 4.350 0.002 0.000 0.299 356 T C 0.825 175.579 174.700 0.090 0.000 1.073 356 T CA 0.012 62.147 62.100 0.057 0.000 0.999 356 T CB 1.629 70.523 68.868 0.043 0.000 1.098 356 T HN 1.880 nan 8.240 nan 0.000 0.477 357 A N 1.555 124.421 122.820 0.076 0.000 1.908 357 A HA -0.096 4.225 4.320 0.002 0.000 0.218 357 A C 1.927 179.557 177.584 0.078 0.000 1.181 357 A CA 2.014 54.097 52.037 0.078 0.000 0.627 357 A CB -1.073 17.973 19.000 0.076 0.000 0.818 357 A HN 0.908 nan 8.150 nan 0.000 0.445 358 D N -0.611 119.833 120.400 0.073 0.000 2.123 358 D HA -0.101 4.540 4.640 0.002 0.000 0.196 358 D C 2.054 178.404 176.300 0.084 0.000 0.992 358 D CA 1.891 55.932 54.000 0.068 0.000 0.833 358 D CB -0.618 40.215 40.800 0.054 0.000 0.954 358 D HN 0.444 nan 8.370 nan 0.000 0.455 359 T N 0.441 115.062 114.554 0.111 0.000 2.788 359 T HA -0.084 4.267 4.350 0.002 0.000 0.268 359 T C 2.264 177.097 174.700 0.223 0.000 1.044 359 T CA 0.697 62.899 62.100 0.170 0.000 1.139 359 T CB -0.270 68.710 68.868 0.186 0.000 0.867 359 T HN -0.014 nan 8.240 nan 0.000 0.454 360 V N 1.232 121.269 119.914 0.205 0.000 2.343 360 V HA -0.127 3.993 4.120 0.002 0.000 0.247 360 V C 2.661 178.737 176.094 -0.030 0.000 1.051 360 V CA 1.254 63.601 62.300 0.078 0.000 1.036 360 V CB -0.711 31.138 31.823 0.044 0.000 0.654 360 V HN 0.313 nan 8.190 nan 0.000 0.451 361 V N 0.341 120.256 119.914 0.003 0.000 2.515 361 V HA -0.228 3.893 4.120 0.002 0.000 0.250 361 V C 2.365 178.470 176.094 0.019 0.000 1.058 361 V CA 2.078 64.372 62.300 -0.009 0.000 1.064 361 V CB -0.607 31.232 31.823 0.026 0.000 0.675 361 V HN 0.597 nan 8.190 nan 0.000 0.461 362 D N 0.335 120.760 120.400 0.043 0.000 2.092 362 D HA -0.180 4.461 4.640 0.002 0.000 0.193 362 D C 2.043 178.362 176.300 0.031 0.000 0.994 362 D CA 1.556 55.586 54.000 0.049 0.000 0.828 362 D CB -0.201 40.644 40.800 0.073 0.000 0.963 362 D HN 0.306 nan 8.370 nan 0.000 0.450 363 L N 0.581 121.814 121.223 0.018 0.000 2.042 363 L HA -0.100 4.241 4.340 0.002 0.000 0.210 363 L C 2.351 179.202 176.870 -0.032 0.000 1.076 363 L CA 1.491 56.307 54.840 -0.040 0.000 0.749 363 L CB -0.780 41.170 42.059 -0.182 0.000 0.893 363 L HN 0.144 nan 8.230 nan 0.000 0.432 364 L N -0.653 120.567 121.223 -0.004 0.000 2.079 364 L HA -0.143 4.198 4.340 0.002 0.000 0.210 364 L C 2.462 179.466 176.870 0.224 0.000 1.081 364 L CA 1.256 56.151 54.840 0.092 0.000 0.752 364 L CB -1.269 40.689 42.059 -0.168 0.000 0.896 364 L HN 0.505 nan 8.230 nan 0.000 0.433 365 G N -1.393 107.474 108.800 0.112 0.000 2.394 365 G HA2 -0.189 3.772 3.960 0.002 0.000 0.214 365 G HA3 -0.189 3.772 3.960 0.002 0.000 0.214 365 G C 1.492 176.401 174.900 0.015 0.000 1.176 365 G CA 0.030 45.188 45.100 0.097 0.000 0.786 365 G HN 0.222 nan 8.290 nan 0.000 0.533 366 Q N 0.564 120.349 119.800 -0.024 0.000 2.124 366 Q HA 0.010 4.351 4.340 0.002 0.000 0.202 366 Q C 2.904 178.777 176.000 -0.211 0.000 0.977 366 Q CA 1.384 57.134 55.803 -0.089 0.000 0.850 366 Q CB -0.555 28.151 28.738 -0.053 0.000 0.901 366 Q HN 0.451 nan 8.270 nan 0.000 0.429 367 A N 0.624 123.302 122.820 -0.236 0.000 1.929 367 A HA -0.007 4.314 4.320 0.002 0.000 0.216 367 A C 2.316 179.595 177.584 -0.508 0.000 1.176 367 A CA 1.455 53.174 52.037 -0.529 0.000 0.628 367 A CB -0.885 17.637 19.000 -0.796 0.000 0.816 367 A HN 0.432 nan 8.150 nan 0.000 0.444 368 G N -0.171 108.536 108.800 -0.155 0.000 2.498 368 G HA2 -0.088 3.873 3.960 0.002 0.000 0.219 368 G HA3 -0.088 3.873 3.960 0.002 0.000 0.219 368 G C 1.449 176.225 174.900 -0.206 0.000 1.119 368 G CA 1.508 46.533 45.100 -0.125 0.000 0.766 368 G HN 0.917 nan 8.290 nan 0.000 0.552 369 S N -0.948 114.601 115.700 -0.252 0.000 2.593 369 S HA 0.698 5.169 4.470 0.002 0.000 0.236 369 S C 0.867 175.253 174.600 -0.356 0.000 0.991 369 S CA 0.213 58.270 58.200 -0.239 0.000 0.963 369 S CB 0.601 63.708 63.200 -0.156 0.000 0.865 369 S HN 0.493 nan 8.310 nan 0.000 0.488 370 A N 2.474 124.925 122.820 -0.615 0.000 2.287 370 A HA 0.671 4.992 4.320 0.002 0.000 0.273 370 A C -1.342 175.787 177.584 -0.759 0.000 1.091 370 A CA -1.624 49.875 52.037 -0.897 0.000 0.817 370 A CB -0.018 17.855 19.000 -1.880 0.000 1.069 370 A HN 0.222 nan 8.150 nan 0.000 0.492 371 P HA -0.120 nan 4.420 nan 0.000 0.218 371 P C 0.832 178.022 177.300 -0.184 0.000 1.148 371 P CA 1.467 64.387 63.100 -0.300 0.000 0.822 371 P CB 0.019 31.630 31.700 -0.148 0.000 0.784 372 W N -2.305 118.993 121.300 -0.003 0.000 3.325 372 W HA 0.613 5.275 4.660 0.002 0.000 0.370 372 W C 1.052 177.613 176.519 0.070 0.000 1.169 372 W CA 0.045 57.413 57.345 0.039 0.000 1.874 372 W CB -1.219 28.273 29.460 0.054 0.000 1.076 372 W HN -0.123 nan 8.180 nan 0.000 0.684 373 A N 1.687 124.470 122.820 -0.061 0.000 1.948 373 A HA -0.311 4.010 4.320 0.002 0.000 0.220 373 A C 2.110 179.862 177.584 0.280 0.000 1.177 373 A CA 2.243 54.307 52.037 0.045 0.000 0.636 373 A CB -0.556 18.345 19.000 -0.164 0.000 0.815 373 A HN 0.287 nan 8.150 nan 0.000 0.449 374 Q N -1.248 118.663 119.800 0.186 0.000 1.993 374 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 374 Q C 2.405 178.535 176.000 0.216 0.000 0.984 374 Q CA 2.269 58.169 55.803 0.163 0.000 0.837 374 Q CB -1.053 27.747 28.738 0.103 0.000 0.902 374 Q HN 0.630 nan 8.270 nan 0.000 0.423 375 T N 0.168 114.874 114.554 0.254 0.000 2.881 375 T HA -0.160 4.191 4.350 0.002 0.000 0.270 375 T C 1.296 176.167 174.700 0.286 0.000 1.068 375 T CA 1.415 63.656 62.100 0.235 0.000 1.131 375 T CB -0.350 68.655 68.868 0.229 0.000 0.871 375 T HN 0.582 nan 8.240 nan 0.000 0.479 376 W N 1.239 122.668 121.300 0.216 0.000 2.378 376 W HA -0.083 4.578 4.660 0.001 0.000 0.313 376 W C 2.075 178.684 176.519 0.150 0.000 1.197 376 W CA 1.317 58.789 57.345 0.213 0.000 1.304 376 W CB -0.877 28.854 29.460 0.451 0.000 1.148 376 W HN 0.257 nan 8.180 nan 0.000 0.494 377 S N 1.427 117.238 115.700 0.186 0.000 2.382 377 S HA -0.125 4.346 4.470 0.002 0.000 0.228 377 S C 2.167 176.731 174.600 -0.059 0.000 1.027 377 S CA 1.710 59.899 58.200 -0.020 0.000 0.991 377 S CB -0.791 62.450 63.200 0.068 0.000 0.823 377 S HN 0.399 nan 8.310 nan 0.000 0.469 378 A N 1.673 124.500 122.820 0.012 0.000 2.019 378 A HA -0.080 4.241 4.320 0.002 0.000 0.219 378 A C 2.274 179.834 177.584 -0.040 0.000 1.164 378 A CA 1.735 53.776 52.037 0.005 0.000 0.644 378 A CB -0.736 18.296 19.000 0.053 0.000 0.805 378 A HN 0.612 nan 8.150 nan 0.000 0.449 379 S N -0.586 115.067 115.700 -0.079 0.000 2.489 379 S HA 0.168 4.639 4.470 0.002 0.000 0.228 379 S C 0.638 175.097 174.600 -0.235 0.000 0.995 379 S CA -0.119 58.005 58.200 -0.126 0.000 0.934 379 S CB -0.631 62.499 63.200 -0.118 0.000 0.771 379 S HN 0.386 nan 8.310 nan 0.000 0.522 380 L N 2.270 123.332 121.223 -0.268 0.000 2.380 380 L HA 0.381 4.722 4.340 0.002 0.000 0.273 380 L C -2.447 174.299 176.870 -0.206 0.000 1.138 380 L CA -2.335 52.333 54.840 -0.287 0.000 0.832 380 L CB 0.099 41.981 42.059 -0.295 0.000 1.124 380 L HN -0.027 nan 8.230 nan 0.000 0.454 381 P HA -0.022 nan 4.420 nan 0.000 0.265 381 P C -0.806 176.429 177.300 -0.109 0.000 1.187 381 P CA 0.013 63.005 63.100 -0.180 0.000 0.766 381 P CB 0.583 32.174 31.700 -0.181 0.000 0.820 382 V N 3.186 123.051 119.914 -0.081 0.000 2.370 382 V HA 0.443 4.564 4.120 0.002 0.000 0.283 382 V C 0.555 176.627 176.094 -0.036 0.000 1.023 382 V CA -1.004 61.270 62.300 -0.045 0.000 0.857 382 V CB 0.941 32.745 31.823 -0.031 0.000 0.985 382 V HN 0.661 nan 8.190 nan 0.000 0.443 383 A N 4.015 126.820 122.820 -0.025 0.000 2.566 383 A HA 0.458 4.779 4.320 0.002 0.000 0.245 383 A C 1.601 179.172 177.584 -0.022 0.000 1.056 383 A CA 0.807 52.831 52.037 -0.022 0.000 0.757 383 A CB -0.616 18.374 19.000 -0.018 0.000 0.979 383 A HN 2.239 nan 8.150 nan 0.000 0.508 384 G N 1.484 110.273 108.800 -0.017 0.000 2.184 384 G HA2 -0.209 3.752 3.960 0.002 0.000 0.264 384 G HA3 -0.209 3.752 3.960 0.002 0.000 0.264 384 G C 0.048 174.946 174.900 -0.003 0.000 0.975 384 G CA 0.458 45.551 45.100 -0.011 0.000 0.642 384 G HN 0.843 nan 8.290 nan 0.000 0.536 385 E N 1.071 121.270 120.200 -0.003 0.000 2.180 385 E HA 0.369 4.720 4.350 0.002 0.000 0.283 385 E C 1.630 178.244 176.600 0.023 0.000 1.061 385 E CA 0.442 56.847 56.400 0.009 0.000 0.861 385 E CB 1.205 30.909 29.700 0.008 0.000 1.056 385 E HN 0.478 nan 8.360 nan 0.000 0.407 386 S N 1.990 117.708 115.700 0.029 0.000 2.399 386 S HA -0.189 4.282 4.470 0.002 0.000 0.231 386 S C 0.820 175.460 174.600 0.066 0.000 1.022 386 S CA 0.584 58.809 58.200 0.041 0.000 0.983 386 S CB -0.008 63.213 63.200 0.035 0.000 0.803 386 S HN 0.435 nan 8.310 nan 0.000 0.480 387 D N 3.384 123.828 120.400 0.074 0.000 2.412 387 D HA 0.205 4.846 4.640 0.002 0.000 0.257 387 D C -1.627 174.766 176.300 0.156 0.000 1.217 387 D CA -2.129 51.940 54.000 0.116 0.000 0.897 387 D CB 1.173 42.038 40.800 0.108 0.000 1.132 387 D HN 0.039 nan 8.370 nan 0.000 0.493 388 P HA -0.148 nan 4.420 nan 0.000 0.215 388 P C 0.981 178.426 177.300 0.242 0.000 1.157 388 P CA 1.059 64.341 63.100 0.304 0.000 0.874 388 P CB -0.032 31.903 31.700 0.391 0.000 0.790 389 F N -1.890 118.181 119.950 0.202 0.000 2.771 389 F HA -0.050 4.478 4.527 0.002 0.000 0.299 389 F C 1.827 177.599 175.800 -0.045 0.000 1.177 389 F CA 0.666 58.712 58.000 0.077 0.000 1.450 389 F CB -0.396 38.691 39.000 0.146 0.000 1.114 389 F HN -0.203 nan 8.300 nan 0.000 0.587 390 V N -1.968 117.998 119.914 0.086 0.000 2.948 390 V HA 0.179 4.300 4.120 0.002 0.000 0.234 390 V C 2.373 178.437 176.094 -0.050 0.000 1.205 390 V CA 1.157 63.470 62.300 0.022 0.000 1.234 390 V CB -0.687 31.167 31.823 0.052 0.000 1.020 390 V HN 0.199 nan 8.190 nan 0.000 0.491 391 G N -0.432 108.350 108.800 -0.031 0.000 2.464 391 G HA2 0.315 4.276 3.960 0.002 0.000 0.217 391 G HA3 0.315 4.276 3.960 0.002 0.000 0.217 391 G C 1.167 176.000 174.900 -0.111 0.000 1.138 391 G CA 1.119 46.189 45.100 -0.050 0.000 0.793 391 G HN 0.881 nan 8.290 nan 0.000 0.539 392 G N 0.186 108.875 108.800 -0.185 0.000 2.614 392 G HA2 -0.367 3.594 3.960 0.002 0.000 0.303 392 G HA3 -0.367 3.594 3.960 0.002 0.000 0.303 392 G C 1.412 176.254 174.900 -0.096 0.000 1.270 392 G CA 2.226 47.129 45.100 -0.330 0.000 0.988 392 G HN 1.197 nan 8.290 nan 0.000 0.551 393 T N -1.064 113.426 114.554 -0.107 0.000 3.163 393 T HA 0.295 4.646 4.350 0.002 0.000 0.260 393 T C 1.691 176.366 174.700 -0.041 0.000 1.156 393 T CA 1.739 63.816 62.100 -0.038 0.000 1.072 393 T CB 0.035 68.871 68.868 -0.053 0.000 0.937 393 T HN 0.494 nan 8.240 nan 0.000 0.528 394 L N -0.047 121.143 121.223 -0.054 0.000 2.808 394 L HA 0.600 4.941 4.340 0.002 0.000 0.246 394 L C 2.343 179.199 176.870 -0.023 0.000 1.153 394 L CA 0.109 54.926 54.840 -0.038 0.000 0.956 394 L CB -0.338 41.694 42.059 -0.045 0.000 1.270 394 L HN 0.250 nan 8.230 nan 0.000 0.528 395 A N 0.289 123.102 122.820 -0.012 0.000 1.986 395 A HA -0.178 4.143 4.320 0.002 0.000 0.220 395 A C 1.766 179.354 177.584 0.007 0.000 1.171 395 A CA 1.839 53.879 52.037 0.006 0.000 0.640 395 A CB -0.325 18.695 19.000 0.033 0.000 0.811 395 A HN 0.493 nan 8.150 nan 0.000 0.451 396 N N -0.614 118.088 118.700 0.004 0.000 2.230 396 N HA 0.110 4.851 4.740 0.002 0.000 0.202 396 N C -0.103 175.403 175.510 -0.006 0.000 1.119 396 N CA 0.130 53.181 53.050 0.002 0.000 0.851 396 N CB 0.417 38.906 38.487 0.004 0.000 0.990 396 N HN 0.482 nan 8.380 nan 0.000 0.497 397 R N 0.003 120.496 120.500 -0.011 0.000 2.664 397 R HA 0.433 4.774 4.340 0.002 0.000 0.286 397 R C 0.652 176.941 176.300 -0.018 0.000 0.967 397 R CA -0.518 55.572 56.100 -0.016 0.000 0.933 397 R CB 1.380 31.668 30.300 -0.020 0.000 1.146 397 R HN -0.048 nan 8.270 nan 0.000 0.468 398 M N -0.037 119.550 119.600 -0.022 0.000 2.856 398 M HA -0.281 4.200 4.480 0.002 0.000 0.189 398 M C -0.472 175.816 176.300 -0.020 0.000 0.612 398 M CA 1.102 56.388 55.300 -0.025 0.000 0.673 398 M CB -1.301 31.280 32.600 -0.031 0.000 2.440 398 M HN 0.569 nan 8.290 nan 0.000 0.437 399 R N 0.821 121.313 120.500 -0.014 0.000 2.537 399 R HA 0.325 4.666 4.340 0.002 0.000 0.280 399 R C 1.408 177.702 176.300 -0.009 0.000 1.058 399 R CA 0.953 57.048 56.100 -0.009 0.000 1.057 399 R CB 0.299 30.597 30.300 -0.004 0.000 0.973 399 R HN 0.514 nan 8.270 nan 0.000 0.438 400 G N 1.300 110.096 108.800 -0.007 0.000 2.143 400 G HA2 -0.299 3.662 3.960 0.002 0.000 0.249 400 G HA3 -0.299 3.662 3.960 0.002 0.000 0.249 400 G C 0.216 175.113 174.900 -0.006 0.000 0.981 400 G CA 0.597 45.694 45.100 -0.004 0.000 0.665 400 G HN 0.764 nan 8.290 nan 0.000 0.528 401 T N -3.940 110.608 114.554 -0.010 0.000 2.927 401 T HA 0.811 5.162 4.350 0.002 0.000 0.286 401 T C 1.518 176.213 174.700 -0.009 0.000 1.040 401 T CA 0.368 62.461 62.100 -0.012 0.000 1.010 401 T CB 1.695 70.550 68.868 -0.022 0.000 1.177 401 T HN 1.366 nan 8.240 nan 0.000 0.546 402 A N 0.165 122.985 122.820 -0.001 0.000 2.125 402 A HA 0.286 4.607 4.320 0.002 0.000 0.219 402 A C 2.341 179.908 177.584 -0.029 0.000 1.156 402 A CA 1.584 53.632 52.037 0.017 0.000 0.671 402 A CB -1.331 17.699 19.000 0.050 0.000 0.794 402 A HN 1.242 nan 8.150 nan 0.000 0.459 403 A N -0.461 122.331 122.820 -0.047 0.000 2.123 403 A HA 0.122 4.443 4.320 0.002 0.000 0.214 403 A C 1.019 178.558 177.584 -0.074 0.000 1.152 403 A CA 0.436 52.426 52.037 -0.078 0.000 0.728 403 A CB -0.300 18.660 19.000 -0.067 0.000 0.814 403 A HN 0.614 nan 8.150 nan 0.000 0.464 404 E N 0.101 120.270 120.200 -0.051 0.000 2.493 404 E HA 0.261 4.612 4.350 0.002 0.000 0.255 404 E C 1.116 177.687 176.600 -0.050 0.000 0.999 404 E CA 0.568 56.945 56.400 -0.039 0.000 0.934 404 E CB -0.158 29.529 29.700 -0.022 0.000 0.940 404 E HN 0.702 nan 8.360 nan 0.000 0.473 405 G N 2.661 111.437 108.800 -0.041 0.000 2.168 405 G HA2 -0.283 3.678 3.960 0.002 0.000 0.263 405 G HA3 -0.283 3.678 3.960 0.002 0.000 0.263 405 G C 0.535 175.395 174.900 -0.067 0.000 0.977 405 G CA 0.384 45.461 45.100 -0.039 0.000 0.659 405 G HN 0.466 nan 8.290 nan 0.000 0.533 406 V N -0.672 119.179 119.914 -0.106 0.000 3.001 406 V HA 0.232 4.353 4.120 0.002 0.000 0.228 406 V C 1.767 177.816 176.094 -0.074 0.000 1.204 406 V CA 0.739 62.937 62.300 -0.169 0.000 1.247 406 V CB 0.118 31.689 31.823 -0.421 0.000 1.093 406 V HN 0.208 nan 8.190 nan 0.000 0.504 407 V N 2.496 122.383 119.914 -0.045 0.000 2.599 407 V HA 0.045 4.166 4.120 0.002 0.000 0.300 407 V C -0.050 176.082 176.094 0.064 0.000 1.034 407 V CA 0.504 62.838 62.300 0.055 0.000 1.115 407 V CB 0.062 31.922 31.823 0.061 0.000 0.934 407 V HN 0.575 nan 8.190 nan 0.000 0.485 408 E N 3.812 124.079 120.200 0.113 0.000 2.182 408 E HA 0.736 5.087 4.350 0.002 0.000 0.258 408 E C -0.432 176.169 176.600 0.001 0.000 0.879 408 E CA -0.385 56.046 56.400 0.051 0.000 0.754 408 E CB 1.932 31.685 29.700 0.089 0.000 1.162 408 E HN 0.821 nan 8.360 nan 0.000 0.419 409 A N 2.751 125.528 122.820 -0.072 0.000 2.606 409 A HA 0.619 4.940 4.320 0.002 0.000 0.293 409 A C -1.367 176.097 177.584 -0.199 0.000 1.082 409 A CA -0.900 51.035 52.037 -0.170 0.000 0.685 409 A CB 1.699 20.659 19.000 -0.066 0.000 1.284 409 A HN 0.362 nan 8.150 nan 0.000 0.408 410 K N 0.823 121.068 120.400 -0.258 0.000 2.156 410 K HA 0.636 4.957 4.320 0.002 0.000 0.271 410 K C 0.454 176.956 176.600 -0.162 0.000 0.995 410 K CA 0.416 56.561 56.287 -0.236 0.000 0.890 410 K CB 0.907 33.239 32.500 -0.280 0.000 1.073 410 K HN 0.918 nan 8.250 nan 0.000 0.454 411 T N -0.283 114.191 114.554 -0.133 0.000 2.880 411 T HA 0.822 5.173 4.350 0.002 0.000 0.279 411 T C 0.147 174.800 174.700 -0.079 0.000 0.990 411 T CA -0.605 61.441 62.100 -0.089 0.000 0.938 411 T CB 1.387 70.209 68.868 -0.076 0.000 1.206 411 T HN 0.653 nan 8.240 nan 0.000 0.573 412 G N 0.126 108.890 108.800 -0.060 0.000 1.788 412 G HA2 0.450 4.411 3.960 0.002 0.000 0.267 412 G HA3 0.450 4.411 3.960 0.002 0.000 0.267 412 G C -0.948 173.926 174.900 -0.043 0.000 1.786 412 G CA -0.731 44.337 45.100 -0.053 0.000 0.915 412 G HN 0.814 nan 8.290 nan 0.000 0.625 413 T N 3.056 117.575 114.554 -0.058 0.000 2.921 413 T HA 0.776 5.127 4.350 0.002 0.000 0.297 413 T C 0.111 174.766 174.700 -0.075 0.000 1.013 413 T CA -0.410 61.666 62.100 -0.041 0.000 0.990 413 T CB 1.538 70.387 68.868 -0.031 0.000 1.023 413 T HN 0.556 nan 8.240 nan 0.000 0.447 414 M N 0.665 120.236 119.600 -0.048 0.000 2.716 414 M HA 0.455 4.936 4.480 0.002 0.000 0.278 414 M C -0.155 176.135 176.300 -0.016 0.000 1.281 414 M CA -1.048 54.205 55.300 -0.079 0.000 0.814 414 M CB 2.155 34.678 32.600 -0.128 0.000 1.719 414 M HN 0.377 nan 8.290 nan 0.000 0.457 415 S N 1.019 116.721 115.700 0.003 0.000 2.544 415 S HA 0.260 4.731 4.470 0.002 0.000 0.290 415 S C 0.950 175.526 174.600 -0.040 0.000 1.276 415 S CA 1.135 59.348 58.200 0.021 0.000 1.075 415 S CB 0.016 63.276 63.200 0.099 0.000 0.849 415 S HN 1.049 nan 8.310 nan 0.000 0.494 416 G N 2.001 110.703 108.800 -0.164 0.000 2.166 416 G HA2 -0.232 3.729 3.960 0.002 0.000 0.260 416 G HA3 -0.232 3.729 3.960 0.002 0.000 0.260 416 G C -0.019 174.714 174.900 -0.280 0.000 0.986 416 G CA 0.284 45.132 45.100 -0.420 0.000 0.683 416 G HN 0.818 nan 8.290 nan 0.000 0.527 417 V N -0.613 119.306 119.914 0.009 0.000 2.733 417 V HA 0.836 4.957 4.120 0.002 0.000 0.306 417 V C -0.213 175.991 176.094 0.184 0.000 1.084 417 V CA -0.104 62.282 62.300 0.143 0.000 0.905 417 V CB 2.123 33.963 31.823 0.029 0.000 1.010 417 V HN 0.772 nan 8.190 nan 0.000 0.424 418 S N 2.399 118.195 115.700 0.161 0.000 2.562 418 S HA 0.881 5.352 4.470 0.002 0.000 0.274 418 S C -0.931 173.674 174.600 0.008 0.000 1.160 418 S CA 0.310 58.534 58.200 0.040 0.000 0.933 418 S CB 1.569 64.745 63.200 -0.040 0.000 1.100 418 S HN 1.535 nan 8.310 nan 0.000 0.468 419 A N 2.886 125.703 122.820 -0.005 0.000 2.539 419 A HA 0.925 5.246 4.320 0.002 0.000 0.296 419 A C -1.870 175.705 177.584 -0.016 0.000 1.073 419 A CA -0.628 51.407 52.037 -0.003 0.000 0.700 419 A CB 1.782 20.785 19.000 0.005 0.000 1.296 419 A HN 1.124 nan 8.150 nan 0.000 0.405 420 L N 0.856 122.079 121.223 0.001 0.000 2.528 420 L HA 0.739 5.080 4.340 0.002 0.000 0.267 420 L C -1.013 175.829 176.870 -0.048 0.000 0.961 420 L CA 0.328 55.174 54.840 0.011 0.000 0.866 420 L CB 1.974 44.094 42.059 0.102 0.000 1.248 420 L HN 0.605 nan 8.230 nan 0.000 0.404 421 S N 2.724 118.260 115.700 -0.273 0.000 2.547 421 S HA 1.008 5.479 4.470 0.002 0.000 0.281 421 S C -0.201 173.893 174.600 -0.844 0.000 1.118 421 S CA -0.060 57.765 58.200 -0.624 0.000 0.947 421 S CB 1.823 64.799 63.200 -0.375 0.000 1.053 421 S HN 1.132 nan 8.310 nan 0.000 0.482 422 G N 1.357 109.299 108.800 -1.429 0.000 2.435 422 G HA2 0.494 4.455 3.960 0.002 0.000 0.228 422 G HA3 0.494 4.455 3.960 0.002 0.000 0.228 422 G C -2.388 171.972 174.900 -0.899 0.000 1.198 422 G CA -0.493 44.004 45.100 -1.005 0.000 0.948 422 G HN 0.474 nan 8.290 nan 0.000 0.487 423 Y N -1.182 119.083 120.300 -0.058 0.000 2.549 423 Y HA 0.670 5.221 4.550 0.002 0.000 0.339 423 Y C -0.001 176.056 175.900 0.261 0.000 1.053 423 Y CA -0.943 57.238 58.100 0.134 0.000 1.105 423 Y CB 2.694 41.206 38.460 0.086 0.000 1.258 423 Y HN 0.277 nan 8.280 nan 0.000 0.478 424 V N 4.239 124.406 119.914 0.422 0.000 2.380 424 V HA 0.301 4.421 4.120 0.002 0.000 0.272 424 V C -2.302 173.937 176.094 0.241 0.000 1.011 424 V CA -1.755 60.708 62.300 0.272 0.000 0.826 424 V CB 0.773 32.725 31.823 0.216 0.000 1.040 424 V HN 0.559 nan 8.190 nan 0.000 0.441 425 P HA 0.564 nan 4.420 nan 0.000 0.286 425 P C 0.186 177.689 177.300 0.337 0.000 1.293 425 P CA 0.266 63.480 63.100 0.190 0.000 0.770 425 P CB 1.393 33.165 31.700 0.119 0.000 1.206 426 G N -1.178 107.772 108.800 0.250 0.000 2.337 426 G HA2 0.107 4.068 3.960 0.002 0.000 0.310 426 G HA3 0.107 4.068 3.960 0.002 0.000 0.310 426 G C -2.446 172.464 174.900 0.018 0.000 1.534 426 G CA -0.513 44.685 45.100 0.164 0.000 0.982 426 G HN 0.293 nan 8.290 nan 0.000 0.672 427 P HA -0.057 nan 4.420 nan 0.000 0.219 427 P C 1.088 178.363 177.300 -0.043 0.000 1.146 427 P CA 1.224 64.296 63.100 -0.047 0.000 0.808 427 P CB 0.346 32.004 31.700 -0.071 0.000 0.779 428 E N 0.745 120.906 120.200 -0.064 0.000 1.997 428 E HA 0.087 4.438 4.350 0.002 0.000 0.196 428 E C 1.441 178.042 176.600 0.003 0.000 0.990 428 E CA 1.255 57.624 56.400 -0.051 0.000 0.845 428 E CB -1.021 28.622 29.700 -0.095 0.000 0.795 428 E HN 0.256 nan 8.360 nan 0.000 0.479 429 G N 0.631 109.458 108.800 0.045 0.000 2.682 429 G HA2 0.315 4.276 3.960 0.002 0.000 0.300 429 G HA3 0.315 4.276 3.960 0.002 0.000 0.300 429 G C -1.377 173.595 174.900 0.121 0.000 1.391 429 G CA -0.612 44.539 45.100 0.085 0.000 0.990 429 G HN -0.015 nan 8.290 nan 0.000 0.501 430 E N 1.872 122.138 120.200 0.110 0.000 1.858 430 E HA 0.293 4.644 4.350 0.002 0.000 0.267 430 E C -0.195 176.519 176.600 0.190 0.000 1.215 430 E CA -0.426 56.055 56.400 0.134 0.000 0.952 430 E CB -0.000 29.748 29.700 0.080 0.000 1.058 430 E HN 0.159 nan 8.360 nan 0.000 0.407 431 L N 3.205 124.568 121.223 0.234 0.000 2.371 431 L HA 0.538 4.879 4.340 0.002 0.000 0.272 431 L C 0.209 177.285 176.870 0.345 0.000 1.124 431 L CA -0.209 54.788 54.840 0.262 0.000 0.816 431 L CB 1.275 43.481 42.059 0.244 0.000 1.129 431 L HN 0.608 nan 8.230 nan 0.000 0.448 432 A N 3.629 126.615 122.820 0.275 0.000 2.343 432 A HA 0.844 5.165 4.320 0.002 0.000 0.316 432 A C -1.050 176.635 177.584 0.169 0.000 1.104 432 A CA -0.421 51.711 52.037 0.158 0.000 0.768 432 A CB 0.851 19.922 19.000 0.118 0.000 1.213 432 A HN 0.562 nan 8.150 nan 0.000 0.456 433 F N 0.253 120.163 119.950 -0.066 0.000 2.626 433 F HA 0.861 5.389 4.527 0.002 0.000 0.311 433 F C -0.514 175.243 175.800 -0.070 0.000 1.088 433 F CA -0.825 57.147 58.000 -0.047 0.000 0.949 433 F CB 1.617 40.591 39.000 -0.043 0.000 1.322 433 F HN 0.514 nan 8.300 nan 0.000 0.461 434 S N 2.401 118.134 115.700 0.054 0.000 2.571 434 S HA 0.807 5.278 4.470 0.002 0.000 0.284 434 S C -1.502 173.167 174.600 0.116 0.000 1.128 434 S CA -0.543 57.643 58.200 -0.024 0.000 0.970 434 S CB 1.036 64.219 63.200 -0.028 0.000 1.039 434 S HN 0.688 nan 8.310 nan 0.000 0.485 435 I N 4.484 125.115 120.570 0.101 0.000 2.468 435 I HA 0.414 4.585 4.170 0.002 0.000 0.284 435 I C -1.177 174.969 176.117 0.049 0.000 1.038 435 I CA -0.719 60.636 61.300 0.091 0.000 1.083 435 I CB 2.003 40.067 38.000 0.107 0.000 1.223 435 I HN 0.329 nan 8.210 nan 0.000 0.443 436 V N 5.823 125.766 119.914 0.048 0.000 2.376 436 V HA 0.411 4.532 4.120 0.002 0.000 0.287 436 V C -0.348 175.775 176.094 0.049 0.000 1.015 436 V CA -0.720 61.606 62.300 0.044 0.000 0.834 436 V CB 1.565 33.420 31.823 0.052 0.000 1.001 436 V HN 0.621 nan 8.190 nan 0.000 0.428 437 N N 4.558 123.285 118.700 0.046 0.000 2.408 437 N HA 0.485 5.226 4.740 0.002 0.000 0.280 437 N C -0.898 174.727 175.510 0.192 0.000 1.002 437 N CA -0.313 52.779 53.050 0.070 0.000 0.907 437 N CB 2.047 40.496 38.487 -0.063 0.000 1.161 437 N HN 0.685 nan 8.380 nan 0.000 0.488 438 N N -0.365 118.449 118.700 0.190 0.000 2.229 438 N HA 0.408 5.149 4.740 0.002 0.000 0.298 438 N C 0.473 176.052 175.510 0.116 0.000 1.114 438 N CA -0.509 52.626 53.050 0.142 0.000 0.776 438 N CB 2.441 40.966 38.487 0.063 0.000 1.501 438 N HN 0.635 nan 8.380 nan 0.000 0.474 439 G N 0.712 109.490 108.800 -0.038 0.000 2.176 439 G HA2 -0.254 3.707 3.960 0.002 0.000 0.253 439 G HA3 -0.254 3.707 3.960 0.002 0.000 0.253 439 G C 0.015 174.882 174.900 -0.056 0.000 0.979 439 G CA 0.254 45.322 45.100 -0.053 0.000 0.641 439 G HN 0.848 nan 8.290 nan 0.000 0.530 440 H N 0.369 119.445 119.070 0.010 0.000 2.852 440 H HA 0.571 5.128 4.556 0.002 0.000 0.362 440 H C 0.944 176.277 175.328 0.009 0.000 1.122 440 H CA 0.421 56.473 56.048 0.008 0.000 1.419 440 H CB 0.831 30.596 29.762 0.004 0.000 1.401 440 H HN 0.035 nan 8.280 nan 0.000 0.609 441 S N 1.213 116.946 115.700 0.055 0.000 2.535 441 S HA 0.194 4.665 4.470 0.002 0.000 0.214 441 S C 1.225 175.845 174.600 0.032 0.000 0.980 441 S CA 0.068 58.272 58.200 0.005 0.000 0.907 441 S CB 0.482 63.689 63.200 0.011 0.000 0.790 441 S HN 0.916 nan 8.310 nan 0.000 0.510 442 G N 1.737 110.592 108.800 0.092 0.000 2.990 442 G HA2 0.597 4.558 3.960 0.002 0.000 0.208 442 G HA3 0.597 4.558 3.960 0.002 0.000 0.208 442 G C -2.870 172.106 174.900 0.126 0.000 1.334 442 G CA -1.427 43.721 45.100 0.081 0.000 1.024 442 G HN 0.092 nan 8.290 nan 0.000 0.574 443 P HA 0.363 nan 4.420 nan 0.000 0.270 443 P C -0.009 177.346 177.300 0.091 0.000 1.227 443 P CA -0.045 63.098 63.100 0.072 0.000 0.788 443 P CB 0.370 32.087 31.700 0.028 0.000 0.926 444 A N 3.336 126.193 122.820 0.061 0.000 2.540 444 A HA 0.187 4.508 4.320 0.002 0.000 0.239 444 A C -1.553 175.964 177.584 -0.111 0.000 1.061 444 A CA -0.643 51.380 52.037 -0.024 0.000 0.758 444 A CB -0.976 18.021 19.000 -0.006 0.000 0.991 444 A HN 0.451 nan 8.150 nan 0.000 0.502 445 P HA 0.119 nan 4.420 nan 0.000 0.228 445 P C 0.712 177.941 177.300 -0.119 0.000 1.748 445 P CA -0.048 62.948 63.100 -0.173 0.000 0.909 445 P CB -0.046 31.509 31.700 -0.241 0.000 1.882 446 L N 0.325 121.497 121.223 -0.084 0.000 2.083 446 L HA -0.161 4.180 4.340 0.002 0.000 0.209 446 L C 2.559 179.396 176.870 -0.055 0.000 1.083 446 L CA 1.718 56.521 54.840 -0.061 0.000 0.752 446 L CB -1.092 40.940 42.059 -0.045 0.000 0.899 446 L HN 0.116 nan 8.230 nan 0.000 0.433 447 A N -0.243 122.546 122.820 -0.053 0.000 1.972 447 A HA -0.101 4.220 4.320 0.002 0.000 0.219 447 A C 2.326 179.875 177.584 -0.058 0.000 1.169 447 A CA 1.476 53.484 52.037 -0.048 0.000 0.635 447 A CB -0.596 18.380 19.000 -0.040 0.000 0.810 447 A HN 0.216 nan 8.150 nan 0.000 0.446 448 V N -0.255 119.619 119.914 -0.067 0.000 2.323 448 V HA -0.288 3.833 4.120 0.002 0.000 0.244 448 V C 2.583 178.628 176.094 -0.082 0.000 1.041 448 V CA 2.130 64.385 62.300 -0.074 0.000 1.025 448 V CB -0.964 30.811 31.823 -0.079 0.000 0.656 448 V HN 0.633 nan 8.190 nan 0.000 0.451 449 Q N -0.171 119.585 119.800 -0.074 0.000 2.084 449 Q HA -0.238 4.103 4.340 0.002 0.000 0.202 449 Q C 2.079 178.032 176.000 -0.079 0.000 0.978 449 Q CA 1.879 57.644 55.803 -0.062 0.000 0.844 449 Q CB -0.287 28.432 28.738 -0.031 0.000 0.898 449 Q HN 0.600 nan 8.270 nan 0.000 0.426 450 D N 0.532 120.891 120.400 -0.068 0.000 2.104 450 D HA -0.166 4.475 4.640 0.002 0.000 0.194 450 D C 1.822 178.065 176.300 -0.095 0.000 0.994 450 D CA 1.507 55.465 54.000 -0.071 0.000 0.830 450 D CB -0.352 40.417 40.800 -0.053 0.000 0.959 450 D HN 0.285 nan 8.370 nan 0.000 0.452 451 A N 0.647 123.413 122.820 -0.089 0.000 1.908 451 A HA -0.170 4.151 4.320 0.002 0.000 0.218 451 A C 2.409 179.915 177.584 -0.131 0.000 1.181 451 A CA 1.075 53.056 52.037 -0.093 0.000 0.627 451 A CB -0.750 18.203 19.000 -0.079 0.000 0.818 451 A HN 0.226 nan 8.150 nan 0.000 0.445 452 I N -0.460 120.011 120.570 -0.166 0.000 2.202 452 I HA -0.267 3.904 4.170 0.002 0.000 0.242 452 I C 2.991 178.921 176.117 -0.313 0.000 1.091 452 I CA 1.045 62.204 61.300 -0.236 0.000 1.368 452 I CB -0.401 37.448 38.000 -0.251 0.000 1.058 452 I HN 0.367 nan 8.210 nan 0.000 0.410 453 A N 0.435 123.048 122.820 -0.345 0.000 1.902 453 A HA -0.149 4.172 4.320 0.002 0.000 0.217 453 A C 2.421 179.854 177.584 -0.253 0.000 1.181 453 A CA 1.697 53.467 52.037 -0.445 0.000 0.623 453 A CB -0.916 17.890 19.000 -0.324 0.000 0.818 453 A HN 0.251 nan 8.150 nan 0.000 0.443 454 V N -0.089 119.729 119.914 -0.159 0.000 2.358 454 V HA -0.225 3.896 4.120 0.002 0.000 0.246 454 V C 2.654 178.706 176.094 -0.070 0.000 1.047 454 V CA 2.306 64.551 62.300 -0.092 0.000 1.035 454 V CB -0.790 30.993 31.823 -0.066 0.000 0.658 454 V HN 0.628 nan 8.190 nan 0.000 0.452 455 R N 0.319 120.763 120.500 -0.093 0.000 2.105 455 R HA -0.104 4.237 4.340 0.002 0.000 0.239 455 R C 2.029 178.312 176.300 -0.028 0.000 1.135 455 R CA 1.699 57.764 56.100 -0.059 0.000 0.967 455 R CB -0.693 29.549 30.300 -0.097 0.000 0.861 455 R HN 0.494 nan 8.270 nan 0.000 0.442 456 L N -0.562 120.600 121.223 -0.103 0.000 2.056 456 L HA -0.040 4.301 4.340 0.002 0.000 0.207 456 L C 2.456 179.369 176.870 0.071 0.000 1.078 456 L CA 1.251 56.059 54.840 -0.054 0.000 0.749 456 L CB -0.673 41.257 42.059 -0.215 0.000 0.901 456 L HN 0.316 nan 8.230 nan 0.000 0.433 457 A N 0.175 123.012 122.820 0.028 0.000 1.933 457 A HA -0.217 4.103 4.320 0.002 0.000 0.218 457 A C 2.136 179.835 177.584 0.191 0.000 1.175 457 A CA 1.676 53.783 52.037 0.116 0.000 0.628 457 A CB -0.391 18.616 19.000 0.013 0.000 0.814 457 A HN 0.487 nan 8.150 nan 0.000 0.444 458 E N -1.831 118.438 120.200 0.117 0.000 2.106 458 E HA -0.186 4.165 4.350 0.002 0.000 0.192 458 E C 1.848 178.506 176.600 0.097 0.000 0.984 458 E CA 1.287 57.745 56.400 0.097 0.000 0.806 458 E CB -0.313 29.426 29.700 0.064 0.000 0.750 458 E HN 0.781 nan 8.360 nan 0.000 0.458 459 Y N 1.206 121.513 120.300 0.011 0.000 2.333 459 Y HA -0.114 4.437 4.550 0.002 0.000 0.290 459 Y C 2.029 177.935 175.900 0.011 0.000 1.144 459 Y CA 1.136 59.239 58.100 0.006 0.000 1.228 459 Y CB -0.003 38.459 38.460 0.003 0.000 0.985 459 Y HN -0.029 nan 8.280 nan 0.000 0.542 460 A N -0.696 122.199 122.820 0.124 0.000 2.259 460 A HA 0.364 4.685 4.320 0.002 0.000 0.208 460 A C 1.766 179.264 177.584 -0.143 0.000 1.201 460 A CA 0.769 52.837 52.037 0.053 0.000 0.824 460 A CB -1.232 17.898 19.000 0.217 0.000 0.838 460 A HN 0.853 nan 8.150 nan 0.000 0.485 461 G N -1.204 107.502 108.800 -0.157 0.000 2.141 461 G HA2 -0.182 3.779 3.960 0.002 0.000 0.231 461 G HA3 -0.182 3.779 3.960 0.002 0.000 0.231 461 G C -0.021 174.712 174.900 -0.278 0.000 0.984 461 G CA 0.150 45.113 45.100 -0.229 0.000 0.660 461 G HN 0.659 nan 8.290 nan 0.000 0.525 462 H N 0.020 119.087 119.070 -0.007 0.000 2.483 462 H HA 0.657 5.214 4.556 0.002 0.000 0.338 462 H C 0.177 175.502 175.328 -0.004 0.000 1.152 462 H CA 0.111 56.158 56.048 -0.001 0.000 1.264 462 H CB 1.513 31.280 29.762 0.008 0.000 1.510 462 H HN 0.405 nan 8.280 nan 0.000 0.530 463 Q N -0.113 119.764 119.800 0.129 0.000 2.484 463 Q HA 0.561 4.902 4.340 0.002 0.000 0.285 463 Q C -0.974 175.060 176.000 0.056 0.000 1.097 463 Q CA -1.203 54.640 55.803 0.066 0.000 0.802 463 Q CB 2.926 31.685 28.738 0.034 0.000 1.444 463 Q HN 0.784 nan 8.270 nan 0.000 0.429 464 A N 3.034 125.873 122.820 0.032 0.000 2.491 464 A HA 0.327 4.648 4.320 0.002 0.000 0.261 464 A C -1.914 175.682 177.584 0.020 0.000 1.101 464 A CA -0.756 51.292 52.037 0.020 0.000 0.772 464 A CB -0.535 18.472 19.000 0.010 0.000 1.043 464 A HN 0.444 nan 8.150 nan 0.000 0.501 465 P HA 0.622 nan 4.420 nan 0.000 0.275 465 P C -0.111 177.196 177.300 0.012 0.000 1.270 465 P CA 0.650 63.761 63.100 0.018 0.000 0.791 465 P CB 0.733 32.442 31.700 0.016 0.000 1.089 466 E N 0.000 120.207 120.200 0.011 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