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_D 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 GHQAPEG 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 0.000 176.461 176.300 0.269 0.000 0.893 1 R CA 0.000 56.195 56.100 0.158 0.000 0.921 1 R CB 0.000 30.369 30.300 0.114 0.000 0.687 2 L N 1.571 122.924 121.223 0.216 0.000 2.109 2 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 2 L C 1.976 178.886 176.870 0.066 0.000 1.086 2 L CA 2.147 57.074 54.840 0.145 0.000 0.760 2 L CB -0.140 41.990 42.059 0.117 0.000 0.910 2 L HN 0.393 nan 8.230 nan 0.000 0.437 3 T N -3.244 111.351 114.554 0.068 0.000 2.684 3 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 3 T C 1.564 176.291 174.700 0.046 0.000 1.036 3 T CA 1.435 63.563 62.100 0.046 0.000 1.148 3 T CB -0.426 68.466 68.868 0.039 0.000 0.863 3 T HN 0.406 nan 8.240 nan 0.000 0.436 4 E N 0.769 121.004 120.200 0.058 0.000 2.106 4 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 4 E C 2.143 178.764 176.600 0.036 0.000 0.984 4 E CA 0.868 57.298 56.400 0.050 0.000 0.806 4 E CB -0.279 29.458 29.700 0.062 0.000 0.750 4 E HN 0.348 nan 8.360 nan 0.000 0.458 5 L N 1.508 122.745 121.223 0.023 0.000 2.017 5 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 5 L C 2.144 178.994 176.870 -0.033 0.000 1.073 5 L CA 1.728 56.527 54.840 -0.069 0.000 0.745 5 L CB -0.198 41.674 42.059 -0.311 0.000 0.894 5 L HN -0.096 nan 8.230 nan 0.000 0.432 6 R N -0.360 120.167 120.500 0.045 0.000 2.081 6 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 6 R C 2.158 178.550 176.300 0.154 0.000 1.131 6 R CA 1.783 57.997 56.100 0.189 0.000 0.960 6 R CB -0.436 29.939 30.300 0.124 0.000 0.856 6 R HN 0.551 nan 8.270 nan 0.000 0.436 7 E N 0.431 120.675 120.200 0.072 0.000 2.077 7 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 7 E C 1.460 178.078 176.600 0.030 0.000 0.989 7 E CA 1.166 57.597 56.400 0.052 0.000 0.800 7 E CB -0.020 29.700 29.700 0.033 0.000 0.746 7 E HN 0.313 nan 8.360 nan 0.000 0.452 8 D N 0.747 121.149 120.400 0.004 0.000 2.117 8 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 8 D C 1.972 178.234 176.300 -0.064 0.000 0.982 8 D CA 0.835 54.819 54.000 -0.027 0.000 0.828 8 D CB -0.159 40.619 40.800 -0.037 0.000 0.967 8 D HN 0.184 nan 8.370 nan 0.000 0.464 9 I N 1.121 121.625 120.570 -0.111 0.000 2.394 9 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 9 I C 1.708 177.758 176.117 -0.112 0.000 1.136 9 I CA 0.863 62.018 61.300 -0.242 0.000 1.425 9 I CB -0.126 37.484 38.000 -0.650 0.000 1.079 9 I HN -0.093 nan 8.210 nan 0.000 0.425 10 D N 1.364 121.793 120.400 0.048 0.000 2.097 10 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 10 D C 2.292 178.611 176.300 0.031 0.000 0.989 10 D CA 1.631 55.691 54.000 0.100 0.000 0.827 10 D CB -0.079 40.790 40.800 0.115 0.000 0.966 10 D HN 0.335 nan 8.370 nan 0.000 0.456 11 A N 0.927 123.753 122.820 0.009 0.000 1.933 11 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 11 A C 2.384 179.957 177.584 -0.020 0.000 1.175 11 A CA 0.836 52.871 52.037 -0.004 0.000 0.628 11 A CB -0.687 18.309 19.000 -0.007 0.000 0.814 11 A HN 0.186 nan 8.150 nan 0.000 0.444 12 I N -0.358 120.186 120.570 -0.043 0.000 2.286 12 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 12 I C 1.572 177.659 176.117 -0.049 0.000 1.115 12 I CA 0.975 62.240 61.300 -0.059 0.000 1.392 12 I CB -0.244 37.698 38.000 -0.097 0.000 1.065 12 I HN 0.226 nan 8.210 nan 0.000 0.418 13 L N 0.782 121.981 121.223 -0.040 0.000 2.675 13 L HA -0.021 4.319 4.340 -0.000 0.000 0.239 13 L C 1.448 178.319 176.870 0.001 0.000 1.151 13 L CA 0.282 55.111 54.840 -0.018 0.000 0.905 13 L CB -0.338 41.725 42.059 0.008 0.000 1.057 13 L HN 0.234 nan 8.230 nan 0.000 0.435 14 E N -0.828 119.370 120.200 -0.004 0.000 2.481 14 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 14 E C 0.228 176.826 176.600 -0.003 0.000 1.027 14 E CA -0.020 56.382 56.400 0.003 0.000 0.900 14 E CB 0.279 29.982 29.700 0.004 0.000 0.993 14 E HN 0.321 nan 8.360 nan 0.000 0.482 15 D N 1.745 122.138 120.400 -0.012 0.000 2.472 15 D HA -0.033 4.607 4.640 -0.000 0.000 0.237 15 D C -1.609 174.687 176.300 -0.006 0.000 1.141 15 D CA -1.350 52.642 54.000 -0.014 0.000 0.875 15 D CB 1.613 42.397 40.800 -0.027 0.000 1.192 15 D HN -0.134 nan 8.370 nan 0.000 0.450 16 P HA -0.086 nan 4.420 nan 0.000 0.219 16 P C 0.851 178.156 177.300 0.009 0.000 1.146 16 P CA 1.089 64.191 63.100 0.004 0.000 0.808 16 P CB 0.148 31.850 31.700 0.002 0.000 0.779 17 A N -0.596 122.224 122.820 -0.001 0.000 2.024 17 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 17 A C 1.806 179.401 177.584 0.019 0.000 1.164 17 A CA 1.213 53.251 52.037 0.001 0.000 0.643 17 A CB -1.376 17.606 19.000 -0.031 0.000 0.806 17 A HN 0.197 nan 8.150 nan 0.000 0.451 18 L N -0.054 121.176 121.223 0.012 0.000 2.685 18 L HA 0.121 4.461 4.340 -0.000 0.000 0.233 18 L C 0.556 177.454 176.870 0.048 0.000 1.173 18 L CA -0.396 54.462 54.840 0.031 0.000 0.961 18 L CB -0.093 41.972 42.059 0.009 0.000 1.217 18 L HN 0.263 nan 8.230 nan 0.000 0.478 19 E N 1.433 121.659 120.200 0.043 0.000 2.480 19 E HA 0.013 4.363 4.350 -0.000 0.000 0.258 19 E C 1.145 177.771 176.600 0.043 0.000 0.984 19 E CA 0.994 57.415 56.400 0.036 0.000 0.930 19 E CB 0.796 30.512 29.700 0.028 0.000 0.936 19 E HN 0.426 nan 8.360 nan 0.000 0.466 20 G N 2.896 111.716 108.800 0.034 0.000 2.168 20 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.263 20 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.263 20 G C 0.305 175.229 174.900 0.041 0.000 0.977 20 G CA 0.454 45.572 45.100 0.031 0.000 0.659 20 G HN 0.781 nan 8.290 nan 0.000 0.533 21 A N -0.733 122.124 122.820 0.061 0.000 2.295 21 A HA 0.827 5.147 4.320 -0.000 0.000 0.318 21 A C 0.038 177.661 177.584 0.066 0.000 1.134 21 A CA -0.145 51.942 52.037 0.084 0.000 0.827 21 A CB 1.830 20.917 19.000 0.144 0.000 1.136 21 A HN 1.082 nan 8.150 nan 0.000 0.493 22 V N 1.754 121.709 119.914 0.068 0.000 2.370 22 V HA 0.487 4.607 4.120 -0.000 0.000 0.283 22 V C -0.042 176.090 176.094 0.063 0.000 1.023 22 V CA -0.239 62.094 62.300 0.055 0.000 0.857 22 V CB 1.308 33.158 31.823 0.045 0.000 0.985 22 V HN 0.818 nan 8.190 nan 0.000 0.443 23 S N 3.261 118.995 115.700 0.057 0.000 2.596 23 S HA 0.606 5.076 4.470 -0.000 0.000 0.318 23 S C 0.343 174.983 174.600 0.066 0.000 1.097 23 S CA -0.563 57.671 58.200 0.057 0.000 1.080 23 S CB 1.643 64.868 63.200 0.043 0.000 0.991 23 S HN 1.004 nan 8.310 nan 0.000 0.471 24 G N 1.754 110.594 108.800 0.067 0.000 2.333 24 G HA2 0.536 4.495 3.960 -0.000 0.000 0.290 24 G HA3 0.536 4.495 3.960 -0.000 0.000 0.290 24 G C -0.810 174.147 174.900 0.094 0.000 1.150 24 G CA -0.355 44.791 45.100 0.077 0.000 0.895 24 G HN 0.590 nan 8.290 nan 0.000 0.444 25 V N 3.285 123.278 119.914 0.131 0.000 2.482 25 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 25 V C -0.478 175.755 176.094 0.230 0.000 1.026 25 V CA -0.625 61.770 62.300 0.159 0.000 0.856 25 V CB 1.675 33.580 31.823 0.137 0.000 1.001 25 V HN 0.570 nan 8.190 nan 0.000 0.424 26 V N 5.291 125.319 119.914 0.189 0.000 2.709 26 V HA 0.677 4.797 4.120 -0.000 0.000 0.308 26 V C -0.639 175.569 176.094 0.190 0.000 1.062 26 V CA -0.644 61.769 62.300 0.187 0.000 0.901 26 V CB 2.378 34.274 31.823 0.122 0.000 1.003 26 V HN 0.570 nan 8.190 nan 0.000 0.425 27 V N 4.804 124.832 119.914 0.190 0.000 2.577 27 V HA 0.686 4.806 4.120 -0.000 0.000 0.303 27 V C -0.622 175.553 176.094 0.136 0.000 1.042 27 V CA -0.517 61.885 62.300 0.170 0.000 0.872 27 V CB 2.100 33.991 31.823 0.114 0.000 0.998 27 V HN 0.619 nan 8.190 nan 0.000 0.423 28 V N 2.361 122.358 119.914 0.138 0.000 2.876 28 V HA 0.494 4.614 4.120 -0.000 0.000 0.312 28 V C -0.834 175.343 176.094 0.138 0.000 1.085 28 V CA -0.703 61.668 62.300 0.119 0.000 0.945 28 V CB 2.461 34.345 31.823 0.100 0.000 1.017 28 V HN 0.900 nan 8.190 nan 0.000 0.428 29 D N 1.859 122.335 120.400 0.127 0.000 2.339 29 D HA 0.180 4.820 4.640 -0.000 0.000 0.241 29 D C 1.183 177.552 176.300 0.114 0.000 1.183 29 D CA 0.128 54.209 54.000 0.136 0.000 0.859 29 D CB 1.840 42.717 40.800 0.129 0.000 1.067 29 D HN 0.613 nan 8.370 nan 0.000 0.484 30 T N 2.811 117.442 114.554 0.129 0.000 2.699 30 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 30 T C 1.705 176.447 174.700 0.069 0.000 1.036 30 T CA 1.778 63.944 62.100 0.110 0.000 1.147 30 T CB 0.018 68.962 68.868 0.126 0.000 0.862 30 T HN 0.577 nan 8.240 nan 0.000 0.446 31 A N 1.764 124.622 122.820 0.062 0.000 1.832 31 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 31 A C 2.678 180.285 177.584 0.037 0.000 1.200 31 A CA 2.289 54.349 52.037 0.040 0.000 0.610 31 A CB -1.310 17.711 19.000 0.036 0.000 0.842 31 A HN 0.605 nan 8.150 nan 0.000 0.444 32 T N -4.043 110.538 114.554 0.046 0.000 2.985 32 T HA 0.326 4.676 4.350 -0.000 0.000 0.266 32 T C 1.558 176.283 174.700 0.042 0.000 1.076 32 T CA 1.368 63.493 62.100 0.041 0.000 1.135 32 T CB -0.306 68.590 68.868 0.047 0.000 0.890 32 T HN 1.876 nan 8.240 nan 0.000 0.480 33 G N 1.226 110.058 108.800 0.053 0.000 2.159 33 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.256 33 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.256 33 G C -0.168 174.764 174.900 0.053 0.000 0.977 33 G CA 0.302 45.433 45.100 0.052 0.000 0.652 33 G HN 0.895 nan 8.290 nan 0.000 0.531 34 E N 0.631 120.866 120.200 0.059 0.000 2.383 34 E HA 0.329 4.679 4.350 -0.000 0.000 0.264 34 E C 0.185 176.823 176.600 0.063 0.000 1.050 34 E CA -0.330 56.104 56.400 0.057 0.000 0.896 34 E CB 0.329 30.067 29.700 0.063 0.000 0.982 34 E HN 0.394 nan 8.360 nan 0.000 0.424 35 E N 4.944 125.173 120.200 0.049 0.000 1.996 35 E HA 0.065 4.415 4.350 -0.000 0.000 0.280 35 E C 0.531 177.158 176.600 0.044 0.000 1.092 35 E CA -0.196 56.233 56.400 0.047 0.000 0.862 35 E CB 0.433 30.149 29.700 0.027 0.000 1.066 35 E HN 0.636 nan 8.360 nan 0.000 0.396 36 L N 4.378 125.639 121.223 0.062 0.000 2.209 36 L HA 0.095 4.435 4.340 -0.000 0.000 0.207 36 L C 0.210 177.130 176.870 0.084 0.000 1.094 36 L CA 0.474 55.341 54.840 0.046 0.000 0.790 36 L CB 0.096 42.157 42.059 0.004 0.000 0.932 36 L HN 0.563 nan 8.230 nan 0.000 0.447 37 Y N -1.039 119.241 120.300 -0.034 0.000 2.521 37 Y HA 0.470 5.019 4.550 -0.000 0.000 0.332 37 Y C -0.983 174.914 175.900 -0.005 0.000 1.121 37 Y CA -1.030 57.050 58.100 -0.032 0.000 1.037 37 Y CB 2.000 40.425 38.460 -0.057 0.000 1.330 37 Y HN -0.250 nan 8.280 nan 0.000 0.452 38 S N 5.649 121.186 115.700 -0.271 0.000 2.605 38 S HA 0.602 5.072 4.470 -0.000 0.000 0.279 38 S C -2.062 172.445 174.600 -0.155 0.000 1.166 38 S CA -0.689 57.470 58.200 -0.068 0.000 0.975 38 S CB 0.792 63.966 63.200 -0.044 0.000 1.111 38 S HN 0.853 nan 8.310 nan 0.000 0.465 39 R N 3.362 123.875 120.500 0.021 0.000 2.533 39 R HA 0.389 4.729 4.340 -0.000 0.000 0.288 39 R C -1.082 175.253 176.300 0.059 0.000 1.039 39 R CA -0.282 55.832 56.100 0.024 0.000 0.909 39 R CB 0.738 31.100 30.300 0.103 0.000 1.195 39 R HN 0.684 nan 8.270 nan 0.000 0.438 40 D N 2.824 123.243 120.400 0.031 0.000 2.811 40 D HA -0.166 4.474 4.640 -0.000 0.000 0.231 40 D C 0.927 177.254 176.300 0.045 0.000 1.157 40 D CA 1.500 55.522 54.000 0.036 0.000 0.716 40 D CB -0.899 39.927 40.800 0.043 0.000 1.077 40 D HN 0.902 nan 8.370 nan 0.000 0.428 41 G N -0.060 108.766 108.800 0.043 0.000 2.509 41 G HA2 0.031 3.991 3.960 -0.000 0.000 0.218 41 G HA3 0.031 3.991 3.960 -0.000 0.000 0.218 41 G C 1.450 176.376 174.900 0.044 0.000 1.124 41 G CA 0.801 45.932 45.100 0.052 0.000 0.776 41 G HN 0.484 nan 8.290 nan 0.000 0.547 42 G N -0.525 108.295 108.800 0.033 0.000 3.126 42 G HA2 0.268 4.228 3.960 -0.000 0.000 0.224 42 G HA3 0.268 4.228 3.960 -0.000 0.000 0.224 42 G C 0.263 175.178 174.900 0.024 0.000 1.142 42 G CA -0.200 44.917 45.100 0.027 0.000 0.759 42 G HN 0.381 nan 8.290 nan 0.000 0.550 43 E N 1.287 121.503 120.200 0.028 0.000 2.324 43 E HA 0.210 4.560 4.350 -0.000 0.000 0.271 43 E C 0.285 176.899 176.600 0.024 0.000 1.028 43 E CA -0.147 56.267 56.400 0.024 0.000 0.890 43 E CB 0.287 30.004 29.700 0.029 0.000 1.004 43 E HN 0.267 nan 8.360 nan 0.000 0.431 44 Q N 3.727 123.536 119.800 0.015 0.000 2.296 44 Q HA 0.334 4.674 4.340 -0.000 0.000 0.262 44 Q C -0.582 175.425 176.000 0.013 0.000 0.981 44 Q CA 0.122 55.929 55.803 0.008 0.000 0.905 44 Q CB 0.660 29.397 28.738 -0.002 0.000 1.186 44 Q HN 0.503 nan 8.270 nan 0.000 0.399 45 L N 2.057 123.289 121.223 0.015 0.000 2.376 45 L HA 0.485 4.825 4.340 -0.000 0.000 0.258 45 L C -0.625 176.254 176.870 0.015 0.000 1.013 45 L CA -1.008 53.845 54.840 0.021 0.000 0.822 45 L CB 1.554 43.635 42.059 0.036 0.000 1.388 45 L HN 0.432 nan 8.230 nan 0.000 0.413 46 L N 3.180 124.411 121.223 0.014 0.000 2.410 46 L HA 0.181 4.521 4.340 -0.000 0.000 0.273 46 L C -1.450 175.430 176.870 0.016 0.000 1.152 46 L CA -0.977 53.866 54.840 0.005 0.000 0.855 46 L CB 0.696 42.754 42.059 -0.003 0.000 1.129 46 L HN 0.456 nan 8.230 nan 0.000 0.463 47 P HA 0.075 nan 4.420 nan 0.000 0.259 47 P C 0.580 177.891 177.300 0.019 0.000 1.233 47 P CA 0.784 63.907 63.100 0.038 0.000 0.827 47 P CB 0.862 32.608 31.700 0.078 0.000 1.154 48 A N 0.813 123.628 122.820 -0.009 0.000 5.821 48 A HA -0.246 4.074 4.320 -0.000 0.000 0.282 48 A C 1.646 179.220 177.584 -0.017 0.000 2.032 48 A CA 1.355 53.367 52.037 -0.042 0.000 0.715 48 A CB -2.449 16.520 19.000 -0.052 0.000 1.178 48 A HN 0.155 nan 8.150 nan 0.000 0.370 49 S N 0.709 116.386 115.700 -0.038 0.000 2.584 49 S HA -0.091 4.379 4.470 -0.000 0.000 0.240 49 S C 1.317 175.912 174.600 -0.009 0.000 0.975 49 S CA 1.275 59.462 58.200 -0.022 0.000 0.949 49 S CB -0.723 62.442 63.200 -0.059 0.000 0.761 49 S HN 0.617 nan 8.310 nan 0.000 0.536 50 N N 1.279 119.984 118.700 0.009 0.000 2.520 50 N HA 0.030 4.770 4.740 -0.000 0.000 0.185 50 N C 1.391 176.990 175.510 0.148 0.000 1.068 50 N CA 0.355 53.420 53.050 0.026 0.000 0.911 50 N CB -0.276 38.232 38.487 0.035 0.000 0.961 50 N HN 0.291 nan 8.380 nan 0.000 0.446 51 M N 0.873 120.581 119.600 0.181 0.000 2.279 51 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 51 M C 1.243 177.730 176.300 0.312 0.000 1.062 51 M CA 1.482 56.961 55.300 0.298 0.000 1.099 51 M CB -0.027 32.677 32.600 0.174 0.000 1.394 51 M HN -0.082 nan 8.290 nan 0.000 0.426 52 K N -0.338 120.164 120.400 0.171 0.000 2.280 52 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 52 K C 1.813 178.475 176.600 0.103 0.000 1.047 52 K CA 1.141 57.513 56.287 0.142 0.000 0.942 52 K CB -0.402 32.057 32.500 -0.067 0.000 0.739 52 K HN 0.414 nan 8.250 nan 0.000 0.457 53 L N -0.298 120.947 121.223 0.036 0.000 2.046 53 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 53 L C 2.109 179.062 176.870 0.138 0.000 1.077 53 L CA 1.417 56.265 54.840 0.013 0.000 0.747 53 L CB -0.455 41.498 42.059 -0.177 0.000 0.896 53 L HN 0.087 nan 8.230 nan 0.000 0.432 54 F N -0.313 119.765 119.950 0.213 0.000 2.146 54 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 54 F C 2.682 178.588 175.800 0.176 0.000 1.096 54 F CA 1.544 59.650 58.000 0.177 0.000 1.275 54 F CB -1.116 37.955 39.000 0.119 0.000 1.008 54 F HN -0.033 nan 8.300 nan 0.000 0.480 55 T N -0.031 114.749 114.554 0.376 0.000 2.708 55 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 55 T C 2.289 177.163 174.700 0.290 0.000 1.037 55 T CA 1.379 63.665 62.100 0.310 0.000 1.146 55 T CB -0.672 68.410 68.868 0.356 0.000 0.865 55 T HN 0.304 nan 8.240 nan 0.000 0.435 56 A N 1.391 124.429 122.820 0.364 0.000 1.902 56 A HA 0.188 4.508 4.320 -0.000 0.000 0.217 56 A C 2.644 180.323 177.584 0.158 0.000 1.181 56 A CA 1.788 54.042 52.037 0.362 0.000 0.623 56 A CB -1.087 18.135 19.000 0.370 0.000 0.818 56 A HN 0.503 nan 8.150 nan 0.000 0.443 57 A N -0.105 122.815 122.820 0.167 0.000 1.902 57 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 57 A C 2.503 179.976 177.584 -0.185 0.000 1.181 57 A CA 2.105 54.010 52.037 -0.220 0.000 0.623 57 A CB -1.003 17.918 19.000 -0.132 0.000 0.818 57 A HN 1.043 nan 8.150 nan 0.000 0.443 58 A N -0.204 122.621 122.820 0.008 0.000 1.898 58 A HA 0.193 4.512 4.320 -0.000 0.000 0.216 58 A C 2.495 180.057 177.584 -0.036 0.000 1.181 58 A CA 1.985 54.036 52.037 0.023 0.000 0.620 58 A CB -0.979 18.073 19.000 0.087 0.000 0.819 58 A HN 1.038 nan 8.150 nan 0.000 0.442 59 A N -0.178 122.625 122.820 -0.029 0.000 1.902 59 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 59 A C 2.161 179.656 177.584 -0.147 0.000 1.181 59 A CA 1.535 53.544 52.037 -0.048 0.000 0.623 59 A CB -0.607 18.408 19.000 0.025 0.000 0.818 59 A HN 0.472 nan 8.150 nan 0.000 0.443 60 L N -0.825 120.209 121.223 -0.314 0.000 2.093 60 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 60 L C 2.676 179.312 176.870 -0.391 0.000 1.085 60 L CA 1.123 55.644 54.840 -0.532 0.000 0.755 60 L CB -0.455 40.846 42.059 -1.262 0.000 0.904 60 L HN 0.353 nan 8.230 nan 0.000 0.435 61 E N -0.210 119.839 120.200 -0.251 0.000 2.072 61 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 61 E C 2.304 178.916 176.600 0.019 0.000 0.985 61 E CA 1.147 57.572 56.400 0.041 0.000 0.801 61 E CB -0.042 29.731 29.700 0.122 0.000 0.750 61 E HN 0.292 nan 8.360 nan 0.000 0.452 62 V N 1.113 121.010 119.914 -0.028 0.000 2.379 62 V HA -0.137 3.983 4.120 -0.000 0.000 0.243 62 V C 2.273 178.327 176.094 -0.067 0.000 1.035 62 V CA 0.950 63.233 62.300 -0.030 0.000 1.035 62 V CB -0.180 31.623 31.823 -0.033 0.000 0.673 62 V HN 0.193 nan 8.190 nan 0.000 0.457 63 L N -0.254 120.891 121.223 -0.131 0.000 2.249 63 L HA 0.370 4.710 4.340 -0.000 0.000 0.207 63 L C 1.121 177.937 176.870 -0.091 0.000 1.090 63 L CA 1.588 56.280 54.840 -0.247 0.000 0.802 63 L CB -1.505 40.262 42.059 -0.487 0.000 0.947 63 L HN 0.583 nan 8.230 nan 0.000 0.453 64 G N -0.943 107.823 108.800 -0.057 0.000 2.719 64 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.686 64 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.686 64 G C 0.745 175.656 174.900 0.018 0.000 1.201 64 G CA -0.103 45.001 45.100 0.007 0.000 0.768 64 G HN 0.304 nan 8.290 nan 0.000 0.629 65 A N 0.479 123.324 122.820 0.041 0.000 2.070 65 A HA 0.095 4.415 4.320 -0.000 0.000 0.220 65 A C 1.948 179.569 177.584 0.062 0.000 1.159 65 A CA 2.357 54.431 52.037 0.062 0.000 0.656 65 A CB -0.252 18.818 19.000 0.118 0.000 0.800 65 A HN 1.445 nan 8.150 nan 0.000 0.453 66 D N -1.711 118.719 120.400 0.050 0.000 2.328 66 D HA 0.037 4.677 4.640 -0.000 0.000 0.221 66 D C 0.437 176.720 176.300 -0.029 0.000 1.072 66 D CA -0.346 53.663 54.000 0.015 0.000 0.850 66 D CB -1.013 39.793 40.800 0.011 0.000 0.922 66 D HN 0.552 nan 8.370 nan 0.000 0.516 67 H N 1.051 120.046 119.070 -0.125 0.000 2.815 67 H HA 0.323 4.879 4.556 -0.000 0.000 0.350 67 H C -0.021 175.092 175.328 -0.358 0.000 1.080 67 H CA 0.212 56.110 56.048 -0.249 0.000 1.433 67 H CB 0.678 30.262 29.762 -0.296 0.000 1.432 67 H HN 0.065 nan 8.280 nan 0.000 0.592 68 S N 3.646 118.789 115.700 -0.928 0.000 2.599 68 S HA 0.578 5.048 4.470 -0.000 0.000 0.294 68 S C -1.209 172.829 174.600 -0.937 0.000 1.094 68 S CA -0.978 56.818 58.200 -0.673 0.000 0.931 68 S CB 1.343 64.318 63.200 -0.375 0.000 1.093 68 S HN 0.404 nan 8.310 nan 0.000 0.488 69 F N 0.325 120.125 119.950 -0.250 0.000 2.480 69 F HA 0.764 5.291 4.527 -0.000 0.000 0.329 69 F C 0.968 176.619 175.800 -0.248 0.000 1.091 69 F CA -0.384 57.488 58.000 -0.213 0.000 0.972 69 F CB 2.085 41.010 39.000 -0.125 0.000 1.150 69 F HN 0.969 nan 8.300 nan 0.000 0.467 70 G N 0.303 109.040 108.800 -0.105 0.000 2.473 70 G HA2 0.670 4.630 3.960 -0.000 0.000 0.321 70 G HA3 0.670 4.630 3.960 -0.000 0.000 0.321 70 G C -1.434 173.371 174.900 -0.159 0.000 1.200 70 G CA -0.674 44.328 45.100 -0.163 0.000 0.963 70 G HN 0.534 nan 8.290 nan 0.000 0.483 71 T N 0.760 115.248 114.554 -0.111 0.000 2.933 71 T HA 0.594 4.944 4.350 -0.000 0.000 0.305 71 T C -0.882 173.763 174.700 -0.092 0.000 1.092 71 T CA -0.544 61.490 62.100 -0.109 0.000 1.008 71 T CB 2.237 71.071 68.868 -0.057 0.000 1.102 71 T HN 0.593 nan 8.240 nan 0.000 0.469 72 E N 0.796 120.928 120.200 -0.114 0.000 2.429 72 E HA 0.665 5.015 4.350 -0.000 0.000 0.276 72 E C -1.431 175.122 176.600 -0.079 0.000 0.953 72 E CA -1.050 55.303 56.400 -0.078 0.000 0.787 72 E CB 2.574 32.236 29.700 -0.064 0.000 1.307 72 E HN 0.243 nan 8.360 nan 0.000 0.458 73 V N 1.147 121.047 119.914 -0.023 0.000 2.407 73 V HA 0.687 4.807 4.120 -0.000 0.000 0.291 73 V C -0.637 175.523 176.094 0.110 0.000 1.018 73 V CA -0.504 61.815 62.300 0.031 0.000 0.842 73 V CB 1.162 33.037 31.823 0.088 0.000 0.996 73 V HN 0.755 nan 8.190 nan 0.000 0.426 74 A N 3.999 126.930 122.820 0.185 0.000 2.374 74 A HA 1.038 5.358 4.320 -0.000 0.000 0.317 74 A C -0.341 177.474 177.584 0.384 0.000 1.094 74 A CA -0.266 51.911 52.037 0.235 0.000 0.765 74 A CB 1.941 21.071 19.000 0.216 0.000 1.268 74 A HN 1.388 nan 8.150 nan 0.000 0.438 75 A N 0.275 123.254 122.820 0.266 0.000 2.515 75 A HA 0.663 4.983 4.320 -0.000 0.000 0.296 75 A C 0.541 177.928 177.584 -0.328 0.000 1.094 75 A CA 0.085 52.223 52.037 0.169 0.000 0.718 75 A CB 1.029 20.083 19.000 0.091 0.000 1.307 75 A HN 1.005 nan 8.150 nan 0.000 0.408 76 E N 0.460 120.042 120.200 -1.029 0.000 2.171 76 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 76 E C 0.665 176.878 176.600 -0.645 0.000 0.997 76 E CA 1.775 57.269 56.400 -1.510 0.000 0.810 76 E CB 0.029 28.909 29.700 -1.367 0.000 0.738 76 E HN 0.848 nan 8.360 nan 0.000 0.467 77 S N -2.133 113.350 115.700 -0.361 0.000 2.636 77 S HA 0.676 5.146 4.470 -0.000 0.000 0.268 77 S C -0.658 173.874 174.600 -0.114 0.000 1.159 77 S CA -0.762 57.316 58.200 -0.203 0.000 0.815 77 S CB 1.009 64.102 63.200 -0.179 0.000 1.130 77 S HN 0.226 nan 8.310 nan 0.000 0.471 78 A N 1.041 123.816 122.820 -0.075 0.000 2.406 78 A HA 0.685 5.005 4.320 -0.000 0.000 0.243 78 A C -2.513 175.051 177.584 -0.034 0.000 1.082 78 A CA -1.061 50.952 52.037 -0.041 0.000 0.786 78 A CB -1.289 17.692 19.000 -0.032 0.000 1.029 78 A HN 0.653 nan 8.150 nan 0.000 0.495 79 P HA 0.285 nan 4.420 nan 0.000 0.269 79 P C 0.610 177.902 177.300 -0.013 0.000 1.215 79 P CA 0.340 63.435 63.100 -0.009 0.000 0.780 79 P CB 0.607 32.307 31.700 0.000 0.000 0.898 80 G N 1.294 110.087 108.800 -0.011 0.000 2.553 80 G HA2 0.049 4.009 3.960 -0.000 0.000 0.278 80 G HA3 0.049 4.009 3.960 -0.000 0.000 0.278 80 G C 0.798 175.693 174.900 -0.008 0.000 1.349 80 G CA -0.513 44.580 45.100 -0.011 0.000 1.037 80 G HN 0.379 nan 8.290 nan 0.000 0.508 81 R N -0.886 119.609 120.500 -0.008 0.000 2.193 81 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 81 R C 2.095 178.392 176.300 -0.005 0.000 1.110 81 R CA 0.829 56.925 56.100 -0.006 0.000 0.988 81 R CB -0.034 30.262 30.300 -0.006 0.000 0.871 81 R HN 0.340 nan 8.270 nan 0.000 0.458 82 R N -0.159 120.338 120.500 -0.004 0.000 2.391 82 R HA 0.100 4.440 4.340 -0.000 0.000 0.249 82 R C 0.567 176.865 176.300 -0.002 0.000 0.957 82 R CA 0.370 56.468 56.100 -0.003 0.000 1.093 82 R CB 0.647 30.946 30.300 -0.002 0.000 1.156 82 R HN 0.248 nan 8.270 nan 0.000 0.526 83 G N 1.893 110.691 108.800 -0.003 0.000 2.305 83 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.287 83 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.287 83 G C -0.352 174.549 174.900 0.002 0.000 1.036 83 G CA 0.397 45.496 45.100 -0.001 0.000 0.887 83 G HN 0.425 nan 8.290 nan 0.000 0.505 84 E N -1.226 118.976 120.200 0.003 0.000 2.221 84 E HA 0.699 5.049 4.350 -0.000 0.000 0.268 84 E C 0.199 176.807 176.600 0.014 0.000 0.933 84 E CA -0.625 55.781 56.400 0.010 0.000 0.809 84 E CB 2.659 32.364 29.700 0.009 0.000 1.190 84 E HN 0.711 nan 8.360 nan 0.000 0.406 85 V N -1.192 118.739 119.914 0.028 0.000 3.114 85 V HA 0.335 4.455 4.120 -0.000 0.000 0.308 85 V C 0.069 176.203 176.094 0.068 0.000 1.168 85 V CA -0.898 61.426 62.300 0.040 0.000 1.015 85 V CB 1.968 33.826 31.823 0.057 0.000 1.050 85 V HN 0.536 nan 8.190 nan 0.000 0.433 86 Q N 0.768 120.623 119.800 0.092 0.000 1.596 86 Q HA 0.261 4.601 4.340 -0.000 0.000 0.516 86 Q C -0.117 176.001 176.000 0.195 0.000 0.916 86 Q CA 0.953 56.836 55.803 0.133 0.000 0.888 86 Q CB -0.085 28.745 28.738 0.152 0.000 1.242 86 Q HN 0.923 nan 8.270 nan 0.000 0.383 87 D N 0.452 121.044 120.400 0.320 0.000 2.283 87 D HA 0.369 5.009 4.640 -0.000 0.000 0.248 87 D C -0.414 176.165 176.300 0.465 0.000 1.072 87 D CA -0.110 54.124 54.000 0.390 0.000 0.929 87 D CB 1.145 42.265 40.800 0.535 0.000 1.182 87 D HN 0.085 nan 8.370 nan 0.000 0.433 88 L N 1.646 123.069 121.223 0.333 0.000 2.381 88 L HA 0.399 4.739 4.340 -0.000 0.000 0.268 88 L C -1.491 175.539 176.870 0.267 0.000 0.997 88 L CA -0.855 54.207 54.840 0.369 0.000 0.818 88 L CB 1.480 43.691 42.059 0.254 0.000 1.310 88 L HN 0.326 nan 8.230 nan 0.000 0.416 89 Y N 3.481 123.921 120.300 0.232 0.000 2.376 89 Y HA 0.390 4.940 4.550 -0.000 0.000 0.340 89 Y C -0.351 175.572 175.900 0.040 0.000 0.965 89 Y CA -0.719 57.462 58.100 0.135 0.000 1.078 89 Y CB 2.038 40.519 38.460 0.035 0.000 1.193 89 Y HN 0.312 nan 8.280 nan 0.000 0.452 90 L N 5.131 126.396 121.223 0.070 0.000 2.259 90 L HA 0.618 4.958 4.340 -0.000 0.000 0.288 90 L C -1.196 175.634 176.870 -0.067 0.000 1.051 90 L CA -0.558 54.192 54.840 -0.150 0.000 0.824 90 L CB 0.400 42.259 42.059 -0.333 0.000 1.206 90 L HN 0.395 nan 8.230 nan 0.000 0.429 91 V N 5.022 124.892 119.914 -0.074 0.000 2.350 91 V HA 0.702 4.822 4.120 -0.000 0.000 0.276 91 V C 0.778 176.789 176.094 -0.138 0.000 1.028 91 V CA -0.360 61.898 62.300 -0.070 0.000 0.860 91 V CB 0.937 32.726 31.823 -0.057 0.000 0.990 91 V HN 0.872 nan 8.190 nan 0.000 0.453 92 G N 3.957 112.671 108.800 -0.143 0.000 2.379 92 G HA2 0.605 4.565 3.960 -0.000 0.000 0.327 92 G HA3 0.605 4.565 3.960 -0.000 0.000 0.327 92 G C -0.084 174.645 174.900 -0.285 0.000 1.145 92 G CA -0.742 44.241 45.100 -0.195 0.000 0.905 92 G HN 0.660 nan 8.290 nan 0.000 0.466 93 R N 1.774 122.034 120.500 -0.400 0.000 2.989 93 R HA 0.346 4.686 4.340 -0.000 0.000 0.340 93 R C 0.961 176.980 176.300 -0.469 0.000 1.205 93 R CA 0.073 55.727 56.100 -0.744 0.000 1.235 93 R CB 0.975 30.572 30.300 -1.172 0.000 1.394 93 R HN 1.022 nan 8.270 nan 0.000 0.598 94 G N 0.899 109.443 108.800 -0.426 0.000 2.141 94 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 94 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 94 G C -0.173 174.455 174.900 -0.454 0.000 0.982 94 G CA 0.070 44.950 45.100 -0.367 0.000 0.662 94 G HN 0.477 nan 8.290 nan 0.000 0.527 95 D N 1.020 121.228 120.400 -0.319 0.000 2.382 95 D HA 0.321 4.961 4.640 -0.000 0.000 0.259 95 D C -0.486 175.589 176.300 -0.376 0.000 1.224 95 D CA -1.394 52.396 54.000 -0.349 0.000 0.894 95 D CB 1.246 41.982 40.800 -0.107 0.000 1.127 95 D HN 0.233 nan 8.370 nan 0.000 0.487 96 P HA 0.057 nan 4.420 nan 0.000 0.262 96 P C 0.211 177.330 177.300 -0.302 0.000 1.304 96 P CA 0.253 63.116 63.100 -0.396 0.000 0.859 96 P CB 0.168 31.464 31.700 -0.674 0.000 1.310 97 T N -3.597 110.735 114.554 -0.368 0.000 3.339 97 T HA 0.239 4.589 4.350 -0.000 0.000 0.292 97 T C 0.176 174.750 174.700 -0.211 0.000 1.012 97 T CA -0.420 61.348 62.100 -0.554 0.000 0.937 97 T CB -0.503 67.647 68.868 -1.197 0.000 1.164 97 T HN -0.044 nan 8.240 nan 0.000 0.509 98 L N 3.807 124.992 121.223 -0.062 0.000 2.385 98 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 98 L C 0.444 177.338 176.870 0.041 0.000 1.106 98 L CA -0.191 54.641 54.840 -0.014 0.000 0.856 98 L CB 0.626 42.665 42.059 -0.034 0.000 1.186 98 L HN 0.590 nan 8.230 nan 0.000 0.453 99 S N 3.378 119.101 115.700 0.039 0.000 2.745 99 S HA 0.502 4.972 4.470 -0.000 0.000 0.292 99 S C 1.017 175.626 174.600 0.016 0.000 1.133 99 S CA -0.169 58.076 58.200 0.074 0.000 0.998 99 S CB 1.778 65.048 63.200 0.117 0.000 1.087 99 S HN 0.685 nan 8.310 nan 0.000 0.551 100 A N 0.511 123.350 122.820 0.032 0.000 1.933 100 A HA -0.052 4.267 4.320 -0.000 0.000 0.218 100 A C 2.017 179.606 177.584 0.008 0.000 1.175 100 A CA 1.512 53.565 52.037 0.026 0.000 0.628 100 A CB -1.086 17.935 19.000 0.034 0.000 0.814 100 A HN 0.937 nan 8.150 nan 0.000 0.444 101 E N -0.065 120.134 120.200 -0.003 0.000 2.110 101 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 101 E C 1.275 177.847 176.600 -0.047 0.000 0.988 101 E CA 1.140 57.532 56.400 -0.014 0.000 0.804 101 E CB -0.217 29.479 29.700 -0.006 0.000 0.745 101 E HN 0.558 nan 8.360 nan 0.000 0.458 102 D N 0.804 121.139 120.400 -0.108 0.000 2.144 102 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 102 D C 2.092 178.312 176.300 -0.134 0.000 0.978 102 D CA 0.732 54.574 54.000 -0.264 0.000 0.833 102 D CB -0.101 40.365 40.800 -0.555 0.000 0.961 102 D HN 0.187 nan 8.370 nan 0.000 0.470 103 L N 0.505 121.708 121.223 -0.033 0.000 2.093 103 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 103 L C 2.191 179.162 176.870 0.168 0.000 1.085 103 L CA 1.088 55.998 54.840 0.116 0.000 0.755 103 L CB -0.344 41.815 42.059 0.166 0.000 0.904 103 L HN -0.040 nan 8.230 nan 0.000 0.435 104 D N 0.166 120.603 120.400 0.061 0.000 2.117 104 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 104 D C 2.185 178.505 176.300 0.033 0.000 0.987 104 D CA 1.352 55.368 54.000 0.027 0.000 0.829 104 D CB 0.166 40.967 40.800 0.001 0.000 0.961 104 D HN 0.237 nan 8.370 nan 0.000 0.460 105 A N -0.008 122.826 122.820 0.024 0.000 1.902 105 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 105 A C 2.316 179.939 177.584 0.065 0.000 1.181 105 A CA 1.481 53.535 52.037 0.028 0.000 0.623 105 A CB -0.615 18.390 19.000 0.008 0.000 0.818 105 A HN 0.337 nan 8.150 nan 0.000 0.443 106 M N -0.884 118.780 119.600 0.107 0.000 2.254 106 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 106 M C 2.456 178.903 176.300 0.246 0.000 1.066 106 M CA 1.096 56.500 55.300 0.173 0.000 1.123 106 M CB -0.289 32.412 32.600 0.168 0.000 1.388 106 M HN 0.494 nan 8.290 nan 0.000 0.425 107 A N 0.347 123.300 122.820 0.221 0.000 1.969 107 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 107 A C 2.318 179.897 177.584 -0.008 0.000 1.169 107 A CA 1.709 53.745 52.037 -0.002 0.000 0.635 107 A CB -0.699 18.180 19.000 -0.202 0.000 0.810 107 A HN 0.477 nan 8.150 nan 0.000 0.445 108 A N -0.089 122.741 122.820 0.017 0.000 1.930 108 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 108 A C 1.882 179.480 177.584 0.023 0.000 1.175 108 A CA 1.459 53.501 52.037 0.007 0.000 0.627 108 A CB -0.414 18.592 19.000 0.010 0.000 0.815 108 A HN 0.626 nan 8.150 nan 0.000 0.443 109 E N -0.332 119.897 120.200 0.048 0.000 2.152 109 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 109 E C 1.901 178.533 176.600 0.052 0.000 0.983 109 E CA 1.012 57.442 56.400 0.050 0.000 0.818 109 E CB -0.178 29.560 29.700 0.063 0.000 0.758 109 E HN 0.409 nan 8.360 nan 0.000 0.467 110 V N 1.439 121.396 119.914 0.071 0.000 2.358 110 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 110 V C 2.333 178.444 176.094 0.028 0.000 1.047 110 V CA 1.875 64.216 62.300 0.068 0.000 1.035 110 V CB -0.574 31.305 31.823 0.094 0.000 0.658 110 V HN 0.299 nan 8.190 nan 0.000 0.452 111 A N -0.103 122.721 122.820 0.005 0.000 1.930 111 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 111 A C 2.367 179.951 177.584 0.001 0.000 1.175 111 A CA 1.813 53.846 52.037 -0.007 0.000 0.627 111 A CB -0.654 18.332 19.000 -0.022 0.000 0.815 111 A HN 0.558 nan 8.150 nan 0.000 0.443 112 A N 0.304 123.128 122.820 0.007 0.000 2.015 112 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 112 A C 2.355 179.944 177.584 0.009 0.000 1.163 112 A CA 1.923 53.965 52.037 0.007 0.000 0.646 112 A CB -0.780 18.227 19.000 0.011 0.000 0.806 112 A HN 0.984 nan 8.150 nan 0.000 0.448 113 S N -1.976 113.733 115.700 0.015 0.000 2.522 113 S HA 0.337 4.807 4.470 -0.000 0.000 0.227 113 S C 1.382 175.987 174.600 0.009 0.000 0.986 113 S CA 1.195 59.404 58.200 0.014 0.000 0.929 113 S CB -0.199 63.015 63.200 0.024 0.000 0.769 113 S HN 1.843 nan 8.310 nan 0.000 0.529 114 G N -0.144 108.660 108.800 0.006 0.000 2.192 114 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.193 114 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.193 114 G C -0.093 174.809 174.900 0.002 0.000 0.999 114 G CA -0.214 44.888 45.100 0.002 0.000 0.659 114 G HN 0.617 nan 8.290 nan 0.000 0.503 115 V N 0.980 120.898 119.914 0.007 0.000 2.488 115 V HA 0.498 4.618 4.120 -0.000 0.000 0.277 115 V C 1.428 177.519 176.094 -0.004 0.000 1.046 115 V CA 0.762 63.066 62.300 0.007 0.000 0.986 115 V CB 1.374 33.208 31.823 0.019 0.000 0.989 115 V HN 0.391 nan 8.190 nan 0.000 0.475 116 R N 2.161 122.658 120.500 -0.006 0.000 2.394 116 R HA 0.244 4.584 4.340 -0.000 0.000 0.220 116 R C -0.145 176.147 176.300 -0.015 0.000 0.887 116 R CA 0.353 56.445 56.100 -0.013 0.000 1.034 116 R CB 0.866 31.160 30.300 -0.010 0.000 1.179 116 R HN 0.789 nan 8.270 nan 0.000 0.561 117 T N 0.013 114.563 114.554 -0.007 0.000 3.041 117 T HA 0.280 4.630 4.350 -0.000 0.000 0.321 117 T C -1.330 173.375 174.700 0.008 0.000 1.184 117 T CA -0.483 61.614 62.100 -0.005 0.000 1.050 117 T CB 2.592 71.459 68.868 -0.002 0.000 1.159 117 T HN -0.243 nan 8.240 nan 0.000 0.469 118 V N 3.770 123.689 119.914 0.008 0.000 2.277 118 V HA 0.287 4.407 4.120 -0.000 0.000 0.269 118 V C 1.389 177.500 176.094 0.028 0.000 1.036 118 V CA -0.538 61.779 62.300 0.029 0.000 0.821 118 V CB 0.781 32.620 31.823 0.027 0.000 1.052 118 V HN 0.682 nan 8.190 nan 0.000 0.462 119 R N 3.408 123.931 120.500 0.038 0.000 2.120 119 R HA -0.008 4.332 4.340 -0.000 0.000 0.234 119 R C 1.407 177.735 176.300 0.046 0.000 1.123 119 R CA 1.484 57.606 56.100 0.036 0.000 0.975 119 R CB -0.317 30.006 30.300 0.039 0.000 0.866 119 R HN 0.773 nan 8.270 nan 0.000 0.446 120 G N -1.247 107.596 108.800 0.071 0.000 2.829 120 G HA2 0.146 4.106 3.960 -0.000 0.000 0.173 120 G HA3 0.146 4.106 3.960 -0.000 0.000 0.173 120 G C -0.759 174.166 174.900 0.043 0.000 1.476 120 G CA -0.464 44.687 45.100 0.085 0.000 1.072 120 G HN 0.152 nan 8.290 nan 0.000 0.577 121 D N -0.369 120.054 120.400 0.039 0.000 2.217 121 D HA 0.384 5.024 4.640 -0.000 0.000 0.248 121 D C -0.816 175.381 176.300 -0.171 0.000 1.008 121 D CA -0.317 53.605 54.000 -0.131 0.000 0.914 121 D CB 2.617 43.227 40.800 -0.315 0.000 1.182 121 D HN 0.123 nan 8.370 nan 0.000 0.451 122 L N 2.088 123.157 121.223 -0.257 0.000 2.272 122 L HA 0.324 4.664 4.340 -0.000 0.000 0.289 122 L C -1.607 175.042 176.870 -0.368 0.000 1.032 122 L CA -0.336 54.403 54.840 -0.170 0.000 0.810 122 L CB 0.357 42.390 42.059 -0.042 0.000 1.205 122 L HN 0.216 nan 8.230 nan 0.000 0.422 123 Y N 3.550 123.643 120.300 -0.346 0.000 2.409 123 Y HA 0.724 5.274 4.550 -0.000 0.000 0.339 123 Y C 0.323 176.104 175.900 -0.198 0.000 1.033 123 Y CA -0.621 57.250 58.100 -0.382 0.000 1.094 123 Y CB 1.984 39.929 38.460 -0.858 0.000 1.210 123 Y HN 0.736 nan 8.280 nan 0.000 0.456 124 A N 2.470 125.324 122.820 0.056 0.000 2.253 124 A HA 0.347 4.667 4.320 -0.000 0.000 0.316 124 A C -1.052 176.582 177.584 0.084 0.000 1.327 124 A CA -0.554 51.507 52.037 0.040 0.000 0.917 124 A CB 0.078 19.086 19.000 0.013 0.000 1.162 124 A HN 0.645 nan 8.150 nan 0.000 0.535 125 D N 2.784 123.236 120.400 0.087 0.000 2.373 125 D HA 0.286 4.926 4.640 -0.000 0.000 0.227 125 D C -0.571 175.749 176.300 0.033 0.000 1.091 125 D CA -0.221 53.835 54.000 0.094 0.000 0.840 125 D CB 1.184 42.066 40.800 0.138 0.000 1.060 125 D HN 0.532 nan 8.370 nan 0.000 0.502 126 D N 1.253 121.676 120.400 0.038 0.000 2.623 126 D HA -0.047 4.593 4.640 -0.000 0.000 0.252 126 D C 1.194 177.531 176.300 0.061 0.000 1.294 126 D CA -0.187 53.823 54.000 0.017 0.000 0.824 126 D CB -0.267 40.538 40.800 0.008 0.000 1.070 126 D HN 0.291 nan 8.370 nan 0.000 0.487 127 T N -3.930 110.672 114.554 0.080 0.000 3.025 127 T HA -0.180 4.170 4.350 -0.000 0.000 0.270 127 T C 1.481 176.270 174.700 0.149 0.000 1.126 127 T CA 0.191 62.346 62.100 0.091 0.000 1.105 127 T CB -0.912 67.992 68.868 0.061 0.000 0.884 127 T HN 0.440 nan 8.240 nan 0.000 0.522 128 W N 0.931 122.197 121.300 -0.056 0.000 2.331 128 W HA 0.021 4.681 4.660 -0.000 0.000 0.291 128 W C -0.572 176.049 176.519 0.169 0.000 1.214 128 W CA 0.354 57.676 57.345 -0.038 0.000 1.228 128 W CB 0.023 29.363 29.460 -0.200 0.000 1.135 128 W HN 0.139 nan 8.180 nan 0.000 0.537 129 F N 1.281 121.227 119.950 -0.007 0.000 2.541 129 F HA 0.189 4.716 4.527 -0.000 0.000 0.331 129 F C 0.663 176.389 175.800 -0.125 0.000 1.057 129 F CA -2.117 55.791 58.000 -0.154 0.000 0.975 129 F CB 0.031 38.951 39.000 -0.133 0.000 1.246 129 F HN -0.215 nan 8.300 nan 0.000 0.484 130 D N -1.053 119.355 120.400 0.013 0.000 2.380 130 D HA 0.119 4.759 4.640 -0.000 0.000 0.254 130 D C 0.621 176.926 176.300 0.008 0.000 1.288 130 D CA -0.198 53.792 54.000 -0.018 0.000 1.008 130 D CB 0.043 40.802 40.800 -0.068 0.000 1.099 130 D HN 0.316 nan 8.370 nan 0.000 0.537 131 S N -2.713 112.994 115.700 0.013 0.000 2.597 131 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 131 S C 0.441 175.065 174.600 0.040 0.000 0.955 131 S CA -0.579 57.641 58.200 0.034 0.000 0.933 131 S CB -0.601 62.623 63.200 0.040 0.000 0.788 131 S HN 0.541 nan 8.310 nan 0.000 0.488 132 E N 1.910 122.127 120.200 0.028 0.000 2.029 132 E HA 0.147 4.497 4.350 -0.000 0.000 0.276 132 E C 0.629 177.315 176.600 0.143 0.000 1.163 132 E CA -0.459 56.004 56.400 0.105 0.000 0.909 132 E CB 0.317 30.127 29.700 0.183 0.000 1.046 132 E HN 0.193 nan 8.360 nan 0.000 0.406 133 R N 2.750 123.339 120.500 0.148 0.000 2.153 133 R HA 0.127 4.467 4.340 -0.000 0.000 0.218 133 R C 0.409 176.867 176.300 0.263 0.000 1.072 133 R CA 0.691 56.897 56.100 0.176 0.000 0.990 133 R CB -0.228 30.158 30.300 0.144 0.000 0.889 133 R HN 0.444 nan 8.270 nan 0.000 0.452 134 L N -0.375 120.955 121.223 0.177 0.000 2.393 134 L HA 0.398 4.738 4.340 -0.000 0.000 0.260 134 L C -0.347 176.163 176.870 -0.601 0.000 1.002 134 L CA -1.154 53.628 54.840 -0.097 0.000 0.818 134 L CB 2.605 44.733 42.059 0.116 0.000 1.369 134 L HN -0.359 nan 8.230 nan 0.000 0.412 135 V N 1.512 120.423 119.914 -1.670 0.000 2.655 135 V HA -0.058 4.062 4.120 -0.000 0.000 0.300 135 V C 0.786 176.402 176.094 -0.797 0.000 1.044 135 V CA 0.144 61.426 62.300 -1.697 0.000 1.095 135 V CB 1.009 31.424 31.823 -2.347 0.000 0.952 135 V HN 1.007 nan 8.190 nan 0.000 0.485 136 D N 3.874 123.974 120.400 -0.500 0.000 2.133 136 D HA -0.254 4.385 4.640 -0.000 0.000 0.192 136 D C 1.101 177.348 176.300 -0.087 0.000 1.001 136 D CA 1.856 55.728 54.000 -0.214 0.000 0.844 136 D CB -0.373 40.334 40.800 -0.154 0.000 0.944 136 D HN 0.784 nan 8.370 nan 0.000 0.447 137 D N -1.818 118.534 120.400 -0.079 0.000 2.358 137 D HA -0.026 4.613 4.640 -0.000 0.000 0.224 137 D C -0.212 176.241 176.300 0.253 0.000 1.123 137 D CA -0.732 53.325 54.000 0.095 0.000 0.833 137 D CB -0.772 40.074 40.800 0.076 0.000 0.946 137 D HN 0.166 nan 8.370 nan 0.000 0.505 138 W N 0.934 122.217 121.300 -0.028 0.000 2.150 138 W HA 0.248 4.908 4.660 -0.000 0.000 0.341 138 W C 0.420 177.046 176.519 0.177 0.000 1.276 138 W CA -1.181 56.140 57.345 -0.039 0.000 1.238 138 W CB 0.121 29.559 29.460 -0.037 0.000 1.128 138 W HN -0.032 nan 8.180 nan 0.000 0.581 139 W N 4.767 126.195 121.300 0.213 0.000 2.311 139 W HA 0.169 4.829 4.660 -0.000 0.000 0.310 139 W C -0.984 175.612 176.519 0.129 0.000 1.274 139 W CA -2.677 54.749 57.345 0.135 0.000 1.215 139 W CB -0.419 29.098 29.460 0.094 0.000 1.227 139 W HN 0.198 nan 8.180 nan 0.000 0.523 140 P HA -0.199 nan 4.420 nan 0.000 0.220 140 P C 0.642 178.047 177.300 0.174 0.000 1.148 140 P CA 1.756 64.975 63.100 0.199 0.000 0.803 140 P CB 0.470 32.249 31.700 0.132 0.000 0.782 141 E N -0.100 120.221 120.200 0.202 0.000 2.338 141 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 141 E C 1.372 178.141 176.600 0.282 0.000 1.007 141 E CA 0.911 57.428 56.400 0.195 0.000 0.849 141 E CB -0.551 29.247 29.700 0.163 0.000 0.774 141 E HN 0.304 nan 8.360 nan 0.000 0.506 142 D N 0.184 120.764 120.400 0.300 0.000 2.333 142 D HA -0.036 4.604 4.640 -0.000 0.000 0.208 142 D C 1.153 177.492 176.300 0.063 0.000 0.984 142 D CA 0.242 54.418 54.000 0.293 0.000 0.873 142 D CB 0.022 40.980 40.800 0.263 0.000 0.935 142 D HN 0.260 nan 8.370 nan 0.000 0.521 143 E N 0.851 121.072 120.200 0.036 0.000 2.187 143 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 143 E C -0.811 175.670 176.600 -0.199 0.000 1.004 143 E CA 0.968 57.340 56.400 -0.047 0.000 0.813 143 E CB -0.641 29.077 29.700 0.030 0.000 0.736 143 E HN 0.370 nan 8.360 nan 0.000 0.468 144 P HA -0.103 nan 4.420 nan 0.000 0.241 144 P C -0.385 176.450 177.300 -0.774 0.000 1.191 144 P CA 0.813 63.557 63.100 -0.594 0.000 0.771 144 P CB -0.011 31.262 31.700 -0.713 0.000 0.929 145 Y N -0.570 119.588 120.300 -0.236 0.000 2.352 145 Y HA 0.484 5.034 4.550 -0.000 0.000 0.326 145 Y C 2.083 177.760 175.900 -0.371 0.000 1.166 145 Y CA -0.780 57.141 58.100 -0.298 0.000 1.182 145 Y CB 0.391 38.646 38.460 -0.342 0.000 1.216 145 Y HN -0.187 nan 8.280 nan 0.000 0.474 146 A N 2.559 125.348 122.820 -0.052 0.000 1.915 146 A HA -0.328 3.992 4.320 -0.000 0.000 0.220 146 A C 1.811 179.375 177.584 -0.033 0.000 1.198 146 A CA 2.576 54.599 52.037 -0.024 0.000 0.647 146 A CB -1.519 17.508 19.000 0.045 0.000 0.825 146 A HN 0.981 nan 8.150 nan 0.000 0.456 147 Y N -1.704 118.609 120.300 0.021 0.000 2.574 147 Y HA 0.186 4.735 4.550 -0.000 0.000 0.294 147 Y C 1.867 177.690 175.900 -0.128 0.000 1.142 147 Y CA 1.010 59.083 58.100 -0.046 0.000 1.314 147 Y CB -0.648 37.764 38.460 -0.080 0.000 0.991 147 Y HN 0.180 nan 8.280 nan 0.000 0.555 148 S N 0.443 115.844 115.700 -0.499 0.000 2.601 148 S HA 0.596 5.066 4.470 -0.000 0.000 0.244 148 S C 0.670 175.243 174.600 -0.045 0.000 1.001 148 S CA -0.231 57.744 58.200 -0.375 0.000 0.984 148 S CB -1.079 61.833 63.200 -0.480 0.000 0.842 148 S HN 0.623 nan 8.310 nan 0.000 0.474 149 A N 1.444 124.274 122.820 0.016 0.000 2.531 149 A HA 0.269 4.589 4.320 -0.000 0.000 0.236 149 A C 0.420 178.146 177.584 0.237 0.000 1.062 149 A CA 0.114 52.213 52.037 0.103 0.000 0.760 149 A CB 0.103 19.162 19.000 0.100 0.000 0.995 149 A HN 0.694 nan 8.150 nan 0.000 0.501 150 Q N 0.341 120.264 119.800 0.204 0.000 2.395 150 Q HA 0.196 4.536 4.340 -0.000 0.000 0.271 150 Q C -0.412 175.725 176.000 0.229 0.000 1.026 150 Q CA 0.002 55.947 55.803 0.237 0.000 0.900 150 Q CB 0.548 29.387 28.738 0.168 0.000 1.266 150 Q HN 0.552 nan 8.270 nan 0.000 0.430 151 I N 1.508 122.219 120.570 0.236 0.000 2.331 151 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 151 I C 0.111 176.304 176.117 0.127 0.000 0.998 151 I CA 0.210 61.614 61.300 0.174 0.000 1.267 151 I CB 0.922 38.979 38.000 0.095 0.000 1.386 151 I HN 0.466 nan 8.210 nan 0.000 0.476 152 S N 3.664 119.458 115.700 0.157 0.000 2.556 152 S HA 0.675 5.144 4.470 -0.000 0.000 0.271 152 S C 0.595 175.245 174.600 0.084 0.000 1.135 152 S CA -0.052 58.231 58.200 0.138 0.000 0.858 152 S CB 1.874 65.118 63.200 0.074 0.000 1.114 152 S HN 0.676 nan 8.310 nan 0.000 0.468 153 A N 2.677 125.442 122.820 -0.093 0.000 2.119 153 A HA 0.271 4.591 4.320 -0.000 0.000 0.217 153 A C 0.612 178.017 177.584 -0.299 0.000 1.153 153 A CA 0.620 52.306 52.037 -0.585 0.000 0.692 153 A CB -0.198 18.415 19.000 -0.645 0.000 0.799 153 A HN 0.695 nan 8.150 nan 0.000 0.458 154 L N 0.461 121.601 121.223 -0.139 0.000 2.388 154 L HA 0.532 4.872 4.340 -0.000 0.000 0.267 154 L C -1.149 175.689 176.870 -0.054 0.000 0.995 154 L CA 0.250 55.027 54.840 -0.106 0.000 0.864 154 L CB 1.069 43.076 42.059 -0.086 0.000 1.216 154 L HN 0.128 nan 8.230 nan 0.000 0.430 155 T N 3.481 118.007 114.554 -0.046 0.000 2.923 155 T HA 0.547 4.897 4.350 -0.000 0.000 0.311 155 T C -1.214 173.491 174.700 0.009 0.000 1.183 155 T CA -0.261 61.838 62.100 -0.002 0.000 1.020 155 T CB 1.891 70.781 68.868 0.038 0.000 1.165 155 T HN 0.215 nan 8.240 nan 0.000 0.482 156 V N 3.717 123.650 119.914 0.031 0.000 2.407 156 V HA 0.706 4.826 4.120 -0.000 0.000 0.278 156 V C 0.705 176.871 176.094 0.120 0.000 1.037 156 V CA -0.652 61.682 62.300 0.058 0.000 0.900 156 V CB 0.930 32.783 31.823 0.050 0.000 0.983 156 V HN 1.081 nan 8.190 nan 0.000 0.459 157 A N 3.862 126.782 122.820 0.167 0.000 2.289 157 A HA 0.552 4.872 4.320 -0.000 0.000 0.298 157 A C -0.379 177.368 177.584 0.270 0.000 1.208 157 A CA -0.332 51.869 52.037 0.274 0.000 0.845 157 A CB -0.032 19.210 19.000 0.405 0.000 1.125 157 A HN 1.021 nan 8.150 nan 0.000 0.517 158 H N 1.847 121.002 119.070 0.143 0.000 2.502 158 H HA 0.528 5.084 4.556 -0.000 0.000 0.327 158 H C 0.804 176.134 175.328 0.005 0.000 1.099 158 H CA 1.088 57.177 56.048 0.070 0.000 1.323 158 H CB 0.900 30.687 29.762 0.042 0.000 1.450 158 H HN 1.531 nan 8.280 nan 0.000 0.502 159 G N 3.442 111.823 108.800 -0.699 0.000 2.877 159 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.279 159 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.279 159 G C 0.792 175.399 174.900 -0.489 0.000 1.431 159 G CA 0.191 44.975 45.100 -0.527 0.000 0.883 159 G HN 0.916 nan 8.290 nan 0.000 0.547 160 E N -0.451 119.511 120.200 -0.396 0.000 2.409 160 E HA -0.030 4.320 4.350 -0.000 0.000 0.198 160 E C 2.037 178.377 176.600 -0.433 0.000 1.024 160 E CA 1.063 57.181 56.400 -0.471 0.000 0.861 160 E CB 0.010 29.610 29.700 -0.165 0.000 0.788 160 E HN 0.577 nan 8.360 nan 0.000 0.521 161 R N -0.176 120.153 120.500 -0.285 0.000 2.300 161 R HA 0.147 4.487 4.340 -0.000 0.000 0.199 161 R C -0.323 176.027 176.300 0.083 0.000 0.920 161 R CA 0.066 56.104 56.100 -0.103 0.000 1.046 161 R CB -0.161 29.943 30.300 -0.326 0.000 0.984 161 R HN 0.113 nan 8.270 nan 0.000 0.493 162 F N 1.724 121.783 119.950 0.182 0.000 2.983 162 F HA -0.230 4.297 4.527 -0.000 0.000 0.288 162 F C -0.654 175.259 175.800 0.187 0.000 0.980 162 F CA 0.170 58.303 58.000 0.221 0.000 0.965 162 F CB -1.449 37.762 39.000 0.351 0.000 0.967 162 F HN 0.075 nan 8.300 nan 0.000 0.800 163 D N 1.409 121.949 120.400 0.234 0.000 2.339 163 D HA 0.177 4.817 4.640 -0.000 0.000 0.256 163 D C 0.863 177.284 176.300 0.201 0.000 1.214 163 D CA 0.383 54.478 54.000 0.159 0.000 0.877 163 D CB 1.183 42.049 40.800 0.111 0.000 1.111 163 D HN 0.341 nan 8.370 nan 0.000 0.478 164 T N -1.555 113.113 114.554 0.190 0.000 2.899 164 T HA 0.452 4.802 4.350 -0.000 0.000 0.284 164 T C 1.238 176.014 174.700 0.128 0.000 1.004 164 T CA -0.145 62.062 62.100 0.177 0.000 1.043 164 T CB 1.565 70.548 68.868 0.191 0.000 1.013 164 T HN 0.528 nan 8.240 nan 0.000 0.518 165 G N 0.320 109.186 108.800 0.109 0.000 2.258 165 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.274 165 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.274 165 G C 0.138 175.078 174.900 0.066 0.000 1.021 165 G CA 0.516 45.668 45.100 0.087 0.000 0.798 165 G HN 1.854 nan 8.290 nan 0.000 0.507 166 V N -4.385 115.564 119.914 0.058 0.000 3.155 166 V HA 1.001 5.121 4.120 -0.000 0.000 0.313 166 V C -0.051 176.043 176.094 -0.000 0.000 1.162 166 V CA -0.122 62.187 62.300 0.014 0.000 1.048 166 V CB 2.073 33.886 31.823 -0.016 0.000 1.092 166 V HN 0.828 nan 8.190 nan 0.000 0.447 167 T N 0.325 114.852 114.554 -0.044 0.000 2.906 167 T HA 0.454 4.804 4.350 -0.000 0.000 0.295 167 T C -1.089 173.525 174.700 -0.144 0.000 1.061 167 T CA -0.376 61.692 62.100 -0.053 0.000 1.000 167 T CB 1.772 70.645 68.868 0.009 0.000 1.103 167 T HN 1.127 nan 8.240 nan 0.000 0.486 168 E N 3.164 123.254 120.200 -0.182 0.000 2.115 168 E HA 0.509 4.859 4.350 -0.000 0.000 0.282 168 E C -0.919 175.639 176.600 -0.071 0.000 0.987 168 E CA -0.633 55.650 56.400 -0.195 0.000 0.797 168 E CB 0.774 30.328 29.700 -0.244 0.000 1.086 168 E HN 0.401 nan 8.360 nan 0.000 0.397 169 V N 4.208 124.087 119.914 -0.057 0.000 2.465 169 V HA 0.258 4.378 4.120 -0.000 0.000 0.279 169 V C 0.080 176.165 176.094 -0.015 0.000 1.045 169 V CA -0.412 61.871 62.300 -0.027 0.000 0.938 169 V CB 1.236 33.044 31.823 -0.026 0.000 0.986 169 V HN 0.746 nan 8.190 nan 0.000 0.467 170 S N 4.105 119.803 115.700 -0.004 0.000 2.500 170 S HA 0.810 5.280 4.470 -0.000 0.000 0.301 170 S C -1.046 173.556 174.600 0.004 0.000 1.092 170 S CA -0.709 57.492 58.200 0.002 0.000 1.030 170 S CB 1.859 65.064 63.200 0.009 0.000 1.031 170 S HN 0.399 nan 8.310 nan 0.000 0.483 171 V N 2.850 122.767 119.914 0.005 0.000 2.407 171 V HA 0.542 4.662 4.120 -0.000 0.000 0.291 171 V C -0.310 175.788 176.094 0.006 0.000 1.018 171 V CA -0.462 61.840 62.300 0.005 0.000 0.842 171 V CB 1.561 33.387 31.823 0.005 0.000 0.996 171 V HN 1.031 nan 8.190 nan 0.000 0.426 172 T N 7.652 122.209 114.554 0.006 0.000 2.770 172 T HA 0.454 4.804 4.350 -0.000 0.000 0.283 172 T C -2.587 172.116 174.700 0.005 0.000 0.988 172 T CA -1.144 60.960 62.100 0.006 0.000 0.957 172 T CB 1.948 70.820 68.868 0.006 0.000 0.930 172 T HN 0.489 nan 8.240 nan 0.000 0.443 173 P HA 0.414 nan 4.420 nan 0.000 0.275 173 P C -0.293 177.009 177.300 0.004 0.000 1.228 173 P CA -0.325 62.778 63.100 0.004 0.000 0.786 173 P CB 1.154 32.857 31.700 0.004 0.000 0.927 174 A N 2.860 125.682 122.820 0.003 0.000 3.770 174 A HA 0.722 5.042 4.320 -0.000 0.000 0.186 174 A C 0.432 178.017 177.584 0.003 0.000 1.796 174 A CA 0.212 52.251 52.037 0.003 0.000 1.822 174 A CB -0.640 18.361 19.000 0.002 0.000 1.392 174 A HN 0.625 nan 8.150 nan 0.000 0.461 175 A N -0.722 122.099 122.820 0.002 0.000 2.311 175 A HA 0.564 4.884 4.320 -0.000 0.000 0.334 175 A C -0.041 177.545 177.584 0.002 0.000 1.139 175 A CA -0.413 51.626 52.037 0.002 0.000 0.830 175 A CB 0.263 19.264 19.000 0.002 0.000 1.234 175 A HN 0.669 nan 8.150 nan 0.000 0.483 176 E N -0.054 120.147 120.200 0.002 0.000 2.765 176 E HA 0.205 4.555 4.350 -0.000 0.000 0.256 176 E C 1.268 177.869 176.600 0.001 0.000 0.935 176 E CA 1.408 57.809 56.400 0.002 0.000 0.954 176 E CB -0.067 29.634 29.700 0.002 0.000 0.908 176 E HN 1.575 nan 8.360 nan 0.000 0.500 177 G N 3.653 112.454 108.800 0.001 0.000 2.225 177 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 177 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 177 G C 0.003 174.904 174.900 0.001 0.000 0.988 177 G CA 0.484 45.585 45.100 0.001 0.000 0.625 177 G HN 0.609 nan 8.290 nan 0.000 0.527 178 E N 1.900 122.100 120.200 0.001 0.000 2.283 178 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 178 E C -2.235 174.366 176.600 0.001 0.000 1.045 178 E CA -1.927 54.474 56.400 0.001 0.000 0.884 178 E CB 1.381 31.082 29.700 0.001 0.000 1.106 178 E HN 0.209 nan 8.360 nan 0.000 0.408 179 P HA -0.007 nan 4.420 nan 0.000 0.269 179 P C -1.063 176.238 177.300 0.001 0.000 1.215 179 P CA -0.008 63.092 63.100 0.001 0.000 0.780 179 P CB 0.648 32.348 31.700 -0.000 0.000 0.898 180 A N 1.566 124.387 122.820 0.001 0.000 2.293 180 A HA 0.362 4.682 4.320 -0.000 0.000 0.302 180 A C -0.140 177.445 177.584 0.002 0.000 1.119 180 A CA -0.348 51.690 52.037 0.002 0.000 0.823 180 A CB -0.029 18.972 19.000 0.002 0.000 1.097 180 A HN 0.575 nan 8.150 nan 0.000 0.491 181 D N 0.443 120.845 120.400 0.003 0.000 2.233 181 D HA 0.471 5.111 4.640 -0.000 0.000 0.240 181 D C -1.042 175.259 176.300 0.003 0.000 1.074 181 D CA -0.089 53.913 54.000 0.003 0.000 0.838 181 D CB 1.252 42.054 40.800 0.004 0.000 1.124 181 D HN 0.191 nan 8.370 nan 0.000 0.475 182 V N 3.835 123.750 119.914 0.002 0.000 2.487 182 V HA 0.369 4.489 4.120 -0.000 0.000 0.298 182 V C -0.704 175.392 176.094 0.004 0.000 1.028 182 V CA -0.832 61.469 62.300 0.002 0.000 0.860 182 V CB 1.756 33.578 31.823 -0.002 0.000 0.991 182 V HN 0.592 nan 8.190 nan 0.000 0.427 183 D N 3.663 124.066 120.400 0.006 0.000 2.256 183 D HA 0.517 5.156 4.640 -0.000 0.000 0.246 183 D C 0.306 176.612 176.300 0.009 0.000 1.042 183 D CA -0.449 53.558 54.000 0.011 0.000 0.841 183 D CB 2.187 42.996 40.800 0.015 0.000 1.223 183 D HN 0.219 nan 8.370 nan 0.000 0.470 184 L N 1.621 122.853 121.223 0.014 0.000 2.592 184 L HA 0.312 4.652 4.340 -0.000 0.000 0.227 184 L C 1.536 178.421 176.870 0.024 0.000 1.127 184 L CA 0.458 55.306 54.840 0.013 0.000 0.884 184 L CB -0.872 41.196 42.059 0.014 0.000 1.065 184 L HN 0.762 nan 8.230 nan 0.000 0.457 185 G N 0.094 108.914 108.800 0.034 0.000 2.527 185 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.268 185 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.268 185 G C 1.082 176.026 174.900 0.074 0.000 1.175 185 G CA 0.500 45.629 45.100 0.049 0.000 0.962 185 G HN 0.383 nan 8.290 nan 0.000 0.560 186 A N -0.520 122.352 122.820 0.086 0.000 1.978 186 A HA 0.271 4.591 4.320 -0.000 0.000 0.220 186 A C 2.876 180.540 177.584 0.133 0.000 1.170 186 A CA 3.434 55.536 52.037 0.108 0.000 0.636 186 A CB -0.892 18.170 19.000 0.103 0.000 0.810 186 A HN 2.346 nan 8.150 nan 0.000 0.448 187 A N -0.629 122.256 122.820 0.109 0.000 2.235 187 A HA 0.176 4.496 4.320 -0.000 0.000 0.208 187 A C 0.885 178.526 177.584 0.096 0.000 1.172 187 A CA 0.640 52.760 52.037 0.139 0.000 0.786 187 A CB -0.335 18.746 19.000 0.134 0.000 0.804 187 A HN 0.506 nan 8.150 nan 0.000 0.479 188 E N -0.484 119.770 120.200 0.089 0.000 2.465 188 E HA 0.334 4.684 4.350 -0.000 0.000 0.260 188 E C 1.296 177.938 176.600 0.071 0.000 0.980 188 E CA 1.202 57.643 56.400 0.069 0.000 0.927 188 E CB -0.071 29.677 29.700 0.081 0.000 0.934 188 E HN 0.730 nan 8.360 nan 0.000 0.459 189 G N 2.947 111.750 108.800 0.005 0.000 2.184 189 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.264 189 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.264 189 G C 0.385 175.110 174.900 -0.292 0.000 0.975 189 G CA 0.686 45.759 45.100 -0.045 0.000 0.642 189 G HN 0.609 nan 8.290 nan 0.000 0.536 190 Y N 0.399 120.448 120.300 -0.418 0.000 2.740 190 Y HA 0.709 5.259 4.550 -0.000 0.000 0.257 190 Y C 1.667 177.455 175.900 -0.188 0.000 1.064 190 Y CA 1.325 59.179 58.100 -0.410 0.000 1.351 190 Y CB -0.142 38.077 38.460 -0.401 0.000 1.439 190 Y HN 0.649 nan 8.280 nan 0.000 0.488 191 A N 1.543 124.218 122.820 -0.241 0.000 2.302 191 A HA 0.392 4.712 4.320 -0.000 0.000 0.285 191 A C -0.253 177.230 177.584 -0.168 0.000 1.105 191 A CA -0.494 51.381 52.037 -0.271 0.000 0.816 191 A CB 0.097 19.031 19.000 -0.110 0.000 1.067 191 A HN 0.529 nan 8.150 nan 0.000 0.489 192 E N -0.623 119.484 120.200 -0.155 0.000 2.349 192 E HA 0.428 4.778 4.350 -0.000 0.000 0.262 192 E C -1.159 175.399 176.600 -0.071 0.000 1.088 192 E CA -0.475 55.863 56.400 -0.103 0.000 0.899 192 E CB 1.271 30.913 29.700 -0.097 0.000 1.044 192 E HN 0.432 nan 8.360 nan 0.000 0.420 193 L N 1.636 122.828 121.223 -0.051 0.000 2.385 193 L HA 0.367 4.707 4.340 -0.000 0.000 0.273 193 L C -1.479 175.372 176.870 -0.031 0.000 0.990 193 L CA -0.319 54.498 54.840 -0.037 0.000 0.821 193 L CB 1.853 43.896 42.059 -0.026 0.000 1.279 193 L HN 0.403 nan 8.230 nan 0.000 0.412 194 D N 2.800 123.184 120.400 -0.028 0.000 2.404 194 D HA 0.245 4.885 4.640 -0.000 0.000 0.267 194 D C -1.084 175.206 176.300 -0.017 0.000 1.194 194 D CA -0.191 53.796 54.000 -0.022 0.000 0.910 194 D CB 0.457 41.243 40.800 -0.024 0.000 1.090 194 D HN 0.458 nan 8.370 nan 0.000 0.511 195 N N 2.458 121.150 118.700 -0.013 0.000 2.500 195 N HA 0.181 4.921 4.740 -0.000 0.000 0.236 195 N C 0.083 175.589 175.510 -0.007 0.000 1.022 195 N CA -0.297 52.748 53.050 -0.009 0.000 0.935 195 N CB 0.553 39.036 38.487 -0.008 0.000 1.147 195 N HN 0.235 nan 8.380 nan 0.000 0.512 196 R N 1.658 122.154 120.500 -0.006 0.000 2.432 196 R HA 0.286 4.626 4.340 -0.000 0.000 0.260 196 R C 0.051 176.350 176.300 -0.002 0.000 0.935 196 R CA -0.328 55.770 56.100 -0.004 0.000 1.080 196 R CB -0.026 30.272 30.300 -0.004 0.000 1.155 196 R HN 0.464 nan 8.270 nan 0.000 0.531 197 A N 1.689 124.508 122.820 -0.001 0.000 2.425 197 A HA 0.395 4.715 4.320 -0.000 0.000 0.249 197 A C 0.649 178.234 177.584 0.001 0.000 1.084 197 A CA -0.314 51.724 52.037 0.001 0.000 0.781 197 A CB 0.452 19.453 19.000 0.002 0.000 1.019 197 A HN 0.093 nan 8.150 nan 0.000 0.490 198 V N -0.275 119.640 119.914 0.002 0.000 3.113 198 V HA 0.834 4.954 4.120 -0.000 0.000 0.316 198 V C -0.041 176.055 176.094 0.002 0.000 1.125 198 V CA -0.654 61.647 62.300 0.002 0.000 1.026 198 V CB 1.609 33.433 31.823 0.001 0.000 1.080 198 V HN 0.752 nan 8.190 nan 0.000 0.444 199 T N 2.189 116.744 114.554 0.002 0.000 2.767 199 T HA 0.673 5.023 4.350 -0.000 0.000 0.288 199 T C 0.409 175.110 174.700 0.002 0.000 0.963 199 T CA 0.382 62.483 62.100 0.003 0.000 1.019 199 T CB 0.947 69.816 68.868 0.002 0.000 0.923 199 T HN 1.284 nan 8.240 nan 0.000 0.468 200 G N 1.410 110.212 108.800 0.003 0.000 2.522 200 G HA2 0.626 4.586 3.960 -0.000 0.000 0.304 200 G HA3 0.626 4.586 3.960 -0.000 0.000 0.304 200 G C 0.014 174.915 174.900 0.002 0.000 1.210 200 G CA -0.854 44.247 45.100 0.003 0.000 0.960 200 G HN 0.964 nan 8.290 nan 0.000 0.497 201 A N -0.525 122.296 122.820 0.002 0.000 2.448 201 A HA 0.578 4.898 4.320 -0.000 0.000 0.239 201 A C 1.095 178.681 177.584 0.002 0.000 1.080 201 A CA 0.421 52.459 52.037 0.002 0.000 0.779 201 A CB -0.211 18.790 19.000 0.002 0.000 1.026 201 A HN 1.934 nan 8.150 nan 0.000 0.499 202 A N 0.241 123.062 122.820 0.002 0.000 2.540 202 A HA 0.469 4.789 4.320 -0.000 0.000 0.239 202 A C 1.665 179.251 177.584 0.002 0.000 1.061 202 A CA 0.789 52.828 52.037 0.002 0.000 0.758 202 A CB -0.889 18.112 19.000 0.002 0.000 0.991 202 A HN 2.771 nan 8.150 nan 0.000 0.502 203 G N 1.476 110.278 108.800 0.002 0.000 2.168 203 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.263 203 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.263 203 G C 0.654 175.555 174.900 0.002 0.000 0.977 203 G CA 1.188 46.289 45.100 0.002 0.000 0.659 203 G HN 2.142 nan 8.290 nan 0.000 0.533 204 S N -0.233 115.469 115.700 0.002 0.000 2.634 204 S HA 0.739 5.208 4.470 -0.000 0.000 0.261 204 S C 0.734 175.336 174.600 0.003 0.000 1.271 204 S CA 0.310 58.511 58.200 0.002 0.000 0.985 204 S CB 1.699 64.900 63.200 0.002 0.000 0.968 204 S HN 1.887 nan 8.310 nan 0.000 0.568 205 A N 1.724 124.545 122.820 0.003 0.000 2.454 205 A HA 0.303 4.623 4.320 -0.000 0.000 0.260 205 A C 0.487 178.073 177.584 0.004 0.000 1.106 205 A CA -0.516 51.523 52.037 0.003 0.000 0.780 205 A CB -0.520 18.481 19.000 0.003 0.000 1.044 205 A HN 0.796 nan 8.150 nan 0.000 0.498 206 N N 1.977 120.680 118.700 0.005 0.000 2.442 206 N HA 0.134 4.873 4.740 -0.000 0.000 0.265 206 N C 0.627 176.142 175.510 0.007 0.000 1.138 206 N CA 0.801 53.855 53.050 0.006 0.000 0.956 206 N CB 0.784 39.275 38.487 0.006 0.000 1.067 206 N HN 0.652 nan 8.380 nan 0.000 0.474 207 T N 0.923 115.482 114.554 0.008 0.000 3.231 207 T HA 0.144 4.494 4.350 -0.000 0.000 0.292 207 T C 0.554 175.261 174.700 0.012 0.000 1.001 207 T CA -0.530 61.575 62.100 0.009 0.000 0.920 207 T CB -0.241 68.632 68.868 0.008 0.000 1.140 207 T HN 0.242 nan 8.240 nan 0.000 0.525 208 L N 2.870 124.101 121.223 0.012 0.000 2.525 208 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 208 L C -0.618 176.265 176.870 0.022 0.000 1.218 208 L CA 0.402 55.251 54.840 0.015 0.000 0.878 208 L CB 0.531 42.598 42.059 0.013 0.000 1.127 208 L HN 0.204 nan 8.230 nan 0.000 0.492 209 V N 6.912 126.840 119.914 0.023 0.000 2.569 209 V HA 0.436 4.556 4.120 -0.000 0.000 0.301 209 V C -0.228 175.883 176.094 0.029 0.000 1.044 209 V CA -0.518 61.803 62.300 0.034 0.000 0.874 209 V CB 1.732 33.576 31.823 0.035 0.000 1.002 209 V HN 0.564 nan 8.190 nan 0.000 0.424 210 I N 4.082 124.675 120.570 0.039 0.000 2.362 210 I HA 0.588 4.758 4.170 -0.000 0.000 0.289 210 I C -0.691 175.430 176.117 0.006 0.000 0.994 210 I CA -0.070 61.240 61.300 0.017 0.000 1.158 210 I CB 1.751 39.759 38.000 0.014 0.000 1.315 210 I HN 0.636 nan 8.210 nan 0.000 0.451 211 D N 4.860 125.245 120.400 -0.026 0.000 2.559 211 D HA 0.454 5.094 4.640 -0.000 0.000 0.250 211 D C -0.922 175.322 176.300 -0.093 0.000 1.135 211 D CA -0.777 53.184 54.000 -0.066 0.000 0.955 211 D CB 2.133 42.922 40.800 -0.019 0.000 1.442 211 D HN 0.409 nan 8.370 nan 0.000 0.471 212 R N 1.820 122.242 120.500 -0.131 0.000 2.407 212 R HA 0.466 4.806 4.340 -0.000 0.000 0.298 212 R C -2.590 173.661 176.300 -0.082 0.000 1.166 212 R CA -1.747 54.288 56.100 -0.108 0.000 1.006 212 R CB 1.301 31.521 30.300 -0.132 0.000 1.145 212 R HN 0.226 nan 8.270 nan 0.000 0.538 213 P HA -0.137 nan 4.420 nan 0.000 0.261 213 P C -0.111 177.173 177.300 -0.027 0.000 1.173 213 P CA -0.027 63.054 63.100 -0.032 0.000 0.760 213 P CB 0.482 32.166 31.700 -0.027 0.000 0.783 214 V N 1.377 121.284 119.914 -0.012 0.000 2.752 214 V HA 0.196 4.316 4.120 -0.000 0.000 0.306 214 V C 1.446 177.540 176.094 -0.000 0.000 1.099 214 V CA 0.440 62.740 62.300 0.001 0.000 1.240 214 V CB -0.903 30.931 31.823 0.019 0.000 0.887 214 V HN 0.995 nan 8.190 nan 0.000 0.499 215 G N 2.355 111.158 108.800 0.005 0.000 2.155 215 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.257 215 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.257 215 G C 0.377 175.270 174.900 -0.011 0.000 0.983 215 G CA 0.970 46.072 45.100 0.004 0.000 0.676 215 G HN 2.332 nan 8.290 nan 0.000 0.528 216 T N -3.265 111.275 114.554 -0.023 0.000 2.901 216 T HA 0.641 4.991 4.350 -0.000 0.000 0.293 216 T C -0.093 174.572 174.700 -0.057 0.000 1.084 216 T CA -0.141 61.934 62.100 -0.041 0.000 1.008 216 T CB 2.108 70.950 68.868 -0.043 0.000 1.170 216 T HN 0.223 nan 8.240 nan 0.000 0.509 217 N N 0.444 119.092 118.700 -0.088 0.000 2.535 217 N HA 0.308 5.048 4.740 -0.000 0.000 0.294 217 N C -1.013 174.419 175.510 -0.130 0.000 1.408 217 N CA -0.324 52.652 53.050 -0.123 0.000 0.927 217 N CB 0.305 38.667 38.487 -0.208 0.000 1.276 217 N HN 0.706 nan 8.380 nan 0.000 0.505 218 T N 0.786 115.284 114.554 -0.092 0.000 2.829 218 T HA 0.408 4.758 4.350 -0.000 0.000 0.280 218 T C -0.086 174.574 174.700 -0.067 0.000 0.999 218 T CA -0.533 61.518 62.100 -0.081 0.000 0.983 218 T CB 1.326 70.155 68.868 -0.065 0.000 0.968 218 T HN -0.031 nan 8.240 nan 0.000 0.446 219 I N 3.110 123.644 120.570 -0.061 0.000 2.297 219 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 219 I C 0.528 176.620 176.117 -0.041 0.000 1.033 219 I CA -0.885 60.383 61.300 -0.053 0.000 1.253 219 I CB 0.158 38.132 38.000 -0.044 0.000 1.396 219 I HN 0.704 nan 8.210 nan 0.000 0.476 220 A N 7.465 130.262 122.820 -0.038 0.000 2.260 220 A HA 0.674 4.994 4.320 -0.000 0.000 0.314 220 A C -0.351 177.222 177.584 -0.017 0.000 1.257 220 A CA -0.446 51.575 52.037 -0.026 0.000 0.871 220 A CB 0.743 19.729 19.000 -0.024 0.000 1.166 220 A HN 0.430 nan 8.150 nan 0.000 0.522 221 V N 3.180 123.086 119.914 -0.012 0.000 2.417 221 V HA 0.728 4.847 4.120 -0.000 0.000 0.291 221 V C 0.445 176.538 176.094 -0.002 0.000 1.024 221 V CA 0.026 62.323 62.300 -0.005 0.000 0.861 221 V CB 1.341 33.161 31.823 -0.005 0.000 0.985 221 V HN 1.134 nan 8.190 nan 0.000 0.436 222 T N 0.752 115.308 114.554 0.003 0.000 2.804 222 T HA 0.943 5.293 4.350 -0.000 0.000 0.290 222 T C 0.115 174.819 174.700 0.007 0.000 1.099 222 T CA -0.108 61.994 62.100 0.004 0.000 1.011 222 T CB 1.738 70.609 68.868 0.004 0.000 1.291 222 T HN 2.005 nan 8.240 nan 0.000 0.523 223 G N 0.262 109.065 108.800 0.006 0.000 2.698 223 G HA2 0.237 4.197 3.960 -0.000 0.000 0.225 223 G HA3 0.237 4.197 3.960 -0.000 0.000 0.225 223 G C -0.340 174.563 174.900 0.005 0.000 1.345 223 G CA -0.163 44.941 45.100 0.007 0.000 0.871 223 G HN 1.662 nan 8.290 nan 0.000 0.540 224 S N -1.223 114.480 115.700 0.006 0.000 2.500 224 S HA 0.694 5.164 4.470 -0.000 0.000 0.301 224 S C -0.829 173.774 174.600 0.006 0.000 1.092 224 S CA -0.380 57.823 58.200 0.005 0.000 1.030 224 S CB 1.412 64.615 63.200 0.004 0.000 1.031 224 S HN 1.720 nan 8.310 nan 0.000 0.483 225 L N 6.247 127.473 121.223 0.005 0.000 2.325 225 L HA 0.676 5.016 4.340 -0.000 0.000 0.281 225 L C -2.625 174.248 176.870 0.005 0.000 1.004 225 L CA -1.895 52.948 54.840 0.006 0.000 0.823 225 L CB 1.444 43.506 42.059 0.006 0.000 1.236 225 L HN 0.427 nan 8.230 nan 0.000 0.415 226 P HA 0.047 nan 4.420 nan 0.000 0.265 226 P C 0.000 177.302 177.300 0.004 0.000 1.187 226 P CA 0.329 63.431 63.100 0.004 0.000 0.766 226 P CB 0.759 32.461 31.700 0.004 0.000 0.820 227 A N 3.700 126.521 122.820 0.003 0.000 1.972 227 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 227 A C 1.492 179.078 177.584 0.003 0.000 1.169 227 A CA 1.978 54.017 52.037 0.003 0.000 0.635 227 A CB -0.916 18.086 19.000 0.003 0.000 0.810 227 A HN 0.652 nan 8.150 nan 0.000 0.446 228 D N -0.518 119.884 120.400 0.003 0.000 2.340 228 D HA 0.366 5.006 4.640 -0.000 0.000 0.217 228 D C 0.538 176.840 176.300 0.004 0.000 1.081 228 D CA 0.501 54.503 54.000 0.003 0.000 0.842 228 D CB -0.365 40.437 40.800 0.003 0.000 0.934 228 D HN 0.327 nan 8.370 nan 0.000 0.511 229 A N 0.510 123.333 122.820 0.004 0.000 2.340 229 A HA 0.611 4.931 4.320 -0.000 0.000 0.268 229 A C 0.544 178.131 177.584 0.005 0.000 1.100 229 A CA -0.176 51.864 52.037 0.005 0.000 0.803 229 A CB 0.565 19.568 19.000 0.005 0.000 1.043 229 A HN 0.332 nan 8.150 nan 0.000 0.488 230 A N 2.846 125.669 122.820 0.006 0.000 2.407 230 A HA 0.558 4.878 4.320 -0.000 0.000 0.248 230 A C -2.217 175.371 177.584 0.007 0.000 1.082 230 A CA -1.103 50.937 52.037 0.006 0.000 0.785 230 A CB -0.736 18.268 19.000 0.006 0.000 1.020 230 A HN 0.651 nan 8.150 nan 0.000 0.489 231 P HA 0.185 nan 4.420 nan 0.000 0.264 231 P C -0.705 176.600 177.300 0.008 0.000 1.183 231 P CA 0.098 63.203 63.100 0.008 0.000 0.763 231 P CB 0.459 32.164 31.700 0.008 0.000 0.807 232 V N 3.182 123.101 119.914 0.008 0.000 2.539 232 V HA 0.506 4.625 4.120 -0.000 0.000 0.292 232 V C 0.529 176.627 176.094 0.007 0.000 1.045 232 V CA -0.169 62.136 62.300 0.008 0.000 0.945 232 V CB 1.533 33.362 31.823 0.010 0.000 0.993 232 V HN 0.713 nan 8.190 nan 0.000 0.464 233 T N 1.240 115.798 114.554 0.006 0.000 2.876 233 T HA 0.902 5.251 4.350 -0.000 0.000 0.289 233 T C -0.643 174.055 174.700 -0.003 0.000 1.014 233 T CA -0.540 61.559 62.100 0.000 0.000 0.986 233 T CB 2.009 70.879 68.868 0.003 0.000 1.021 233 T HN 1.262 nan 8.240 nan 0.000 0.458 234 A N 2.782 125.592 122.820 -0.016 0.000 2.547 234 A HA 0.682 5.001 4.320 -0.000 0.000 0.297 234 A C -1.034 176.523 177.584 -0.044 0.000 1.056 234 A CA -0.990 51.041 52.037 -0.010 0.000 0.688 234 A CB 1.231 20.242 19.000 0.019 0.000 1.282 234 A HN 0.940 nan 8.150 nan 0.000 0.400 235 L N 2.585 123.780 121.223 -0.046 0.000 2.305 235 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 235 L C 0.149 176.987 176.870 -0.054 0.000 1.085 235 L CA -0.577 54.211 54.840 -0.087 0.000 0.813 235 L CB 0.732 42.740 42.059 -0.085 0.000 1.157 235 L HN 0.622 nan 8.230 nan 0.000 0.436 236 R N 1.015 121.466 120.500 -0.081 0.000 2.686 236 R HA 0.420 4.760 4.340 -0.000 0.000 0.283 236 R C -0.389 175.859 176.300 -0.086 0.000 0.978 236 R CA -0.697 55.338 56.100 -0.108 0.000 0.897 236 R CB 2.187 32.420 30.300 -0.111 0.000 1.192 236 R HN 0.723 nan 8.270 nan 0.000 0.457 237 T N -1.644 112.845 114.554 -0.108 0.000 2.828 237 T HA 0.500 4.850 4.350 -0.000 0.000 0.290 237 T C 0.698 175.387 174.700 -0.018 0.000 1.019 237 T CA -0.586 61.484 62.100 -0.050 0.000 1.031 237 T CB 0.907 69.738 68.868 -0.061 0.000 1.001 237 T HN 0.370 nan 8.240 nan 0.000 0.531 238 V N -1.559 118.381 119.914 0.043 0.000 3.001 238 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 238 V C -0.669 175.493 176.094 0.113 0.000 1.099 238 V CA -1.331 61.025 62.300 0.094 0.000 0.989 238 V CB 1.683 33.640 31.823 0.223 0.000 1.040 238 V HN 0.974 nan 8.190 nan 0.000 0.434 239 D N 1.508 121.972 120.400 0.107 0.000 2.302 239 D HA 0.276 4.916 4.640 -0.000 0.000 0.248 239 D C -0.031 176.385 176.300 0.194 0.000 1.094 239 D CA 0.633 54.695 54.000 0.103 0.000 0.897 239 D CB 0.510 41.332 40.800 0.036 0.000 1.200 239 D HN 0.796 nan 8.370 nan 0.000 0.429 240 E N 2.278 122.570 120.200 0.154 0.000 2.811 240 E HA -0.149 4.201 4.350 -0.000 0.000 0.150 240 E C -1.926 174.754 176.600 0.134 0.000 1.823 240 E CA 0.090 56.582 56.400 0.153 0.000 0.661 240 E CB -0.816 28.989 29.700 0.174 0.000 1.086 240 E HN 0.512 nan 8.360 nan 0.000 0.354 241 P HA -0.200 nan 4.420 nan 0.000 0.217 241 P C 1.326 178.617 177.300 -0.014 0.000 1.148 241 P CA 2.167 65.292 63.100 0.042 0.000 0.828 241 P CB 0.212 31.950 31.700 0.064 0.000 0.783 242 A N -0.328 122.496 122.820 0.007 0.000 1.969 242 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 242 A C 2.266 179.825 177.584 -0.041 0.000 1.169 242 A CA 1.730 53.759 52.037 -0.015 0.000 0.635 242 A CB -1.427 17.580 19.000 0.012 0.000 0.810 242 A HN 0.196 nan 8.150 nan 0.000 0.445 243 A N -0.426 122.377 122.820 -0.030 0.000 1.930 243 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 243 A C 2.072 179.438 177.584 -0.363 0.000 1.175 243 A CA 1.569 53.577 52.037 -0.049 0.000 0.627 243 A CB -0.515 18.589 19.000 0.172 0.000 0.815 243 A HN 0.675 nan 8.150 nan 0.000 0.443 244 L N -0.145 120.685 121.223 -0.654 0.000 2.056 244 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 244 L C 2.567 179.270 176.870 -0.279 0.000 1.078 244 L CA 2.142 56.470 54.840 -0.852 0.000 0.749 244 L CB -0.846 40.859 42.059 -0.590 0.000 0.901 244 L HN 0.314 nan 8.230 nan 0.000 0.433 245 A N -0.415 122.311 122.820 -0.155 0.000 1.933 245 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 245 A C 2.340 179.919 177.584 -0.008 0.000 1.175 245 A CA 1.523 53.525 52.037 -0.059 0.000 0.628 245 A CB -1.572 17.392 19.000 -0.060 0.000 0.814 245 A HN 0.534 nan 8.150 nan 0.000 0.444 246 G N -1.244 107.544 108.800 -0.021 0.000 2.418 246 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 246 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 246 G C 1.484 176.424 174.900 0.066 0.000 1.158 246 G CA 1.427 46.551 45.100 0.041 0.000 0.771 246 G HN 0.770 nan 8.290 nan 0.000 0.545 247 H N 0.464 119.492 119.070 -0.071 0.000 2.353 247 H HA 0.092 4.648 4.556 -0.000 0.000 0.300 247 H C 2.456 177.776 175.328 -0.015 0.000 1.090 247 H CA 1.418 57.439 56.048 -0.045 0.000 1.327 247 H CB -0.263 29.444 29.762 -0.092 0.000 1.383 247 H HN 0.274 nan 8.280 nan 0.000 0.508 248 L N -1.077 120.104 121.223 -0.069 0.000 2.093 248 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 248 L C 2.103 178.961 176.870 -0.020 0.000 1.085 248 L CA 0.984 55.781 54.840 -0.072 0.000 0.755 248 L CB -0.430 41.643 42.059 0.023 0.000 0.904 248 L HN 0.282 nan 8.230 nan 0.000 0.435 249 F N 0.837 120.719 119.950 -0.113 0.000 2.234 249 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 249 F C 2.510 178.250 175.800 -0.099 0.000 1.087 249 F CA 1.426 59.374 58.000 -0.086 0.000 1.340 249 F CB -0.157 38.807 39.000 -0.060 0.000 1.031 249 F HN 0.104 nan 8.300 nan 0.000 0.500 250 E N 0.210 120.330 120.200 -0.134 0.000 2.072 250 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 250 E C 1.984 178.429 176.600 -0.258 0.000 0.985 250 E CA 1.538 57.809 56.400 -0.215 0.000 0.801 250 E CB -0.133 29.478 29.700 -0.148 0.000 0.750 250 E HN 0.564 nan 8.360 nan 0.000 0.452 251 E N 0.161 120.200 120.200 -0.269 0.000 2.106 251 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 251 E C 2.029 178.515 176.600 -0.191 0.000 0.984 251 E CA 0.802 57.069 56.400 -0.222 0.000 0.806 251 E CB -0.098 29.463 29.700 -0.231 0.000 0.750 251 E HN 0.298 nan 8.360 nan 0.000 0.458 252 A N 1.417 124.110 122.820 -0.213 0.000 1.877 252 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 252 A C 2.221 179.636 177.584 -0.281 0.000 1.186 252 A CA 1.063 52.977 52.037 -0.205 0.000 0.620 252 A CB -0.713 18.189 19.000 -0.164 0.000 0.822 252 A HN 0.119 nan 8.150 nan 0.000 0.443 253 L N -1.007 119.942 121.223 -0.457 0.000 2.012 253 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 253 L C 2.702 179.438 176.870 -0.223 0.000 1.073 253 L CA 1.869 56.469 54.840 -0.400 0.000 0.748 253 L CB -0.513 41.258 42.059 -0.480 0.000 0.891 253 L HN 0.411 nan 8.230 nan 0.000 0.431 254 E N -0.013 120.070 120.200 -0.194 0.000 2.118 254 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 254 E C 2.218 178.757 176.600 -0.102 0.000 0.992 254 E CA 1.546 57.870 56.400 -0.128 0.000 0.804 254 E CB -0.042 29.588 29.700 -0.116 0.000 0.741 254 E HN 0.255 nan 8.360 nan 0.000 0.458 255 S N 0.127 115.762 115.700 -0.109 0.000 2.453 255 S HA 0.018 4.488 4.470 -0.000 0.000 0.231 255 S C 1.004 175.561 174.600 -0.071 0.000 1.005 255 S CA 0.443 58.596 58.200 -0.079 0.000 0.949 255 S CB -0.089 63.068 63.200 -0.073 0.000 0.774 255 S HN 0.291 nan 8.310 nan 0.000 0.510 256 N N 0.616 119.262 118.700 -0.090 0.000 2.279 256 N HA 0.180 4.920 4.740 -0.000 0.000 0.226 256 N C 0.892 176.364 175.510 -0.063 0.000 1.126 256 N CA 0.494 53.501 53.050 -0.072 0.000 0.846 256 N CB 0.878 39.317 38.487 -0.080 0.000 1.050 256 N HN 0.463 nan 8.380 nan 0.000 0.502 257 G N 0.204 108.967 108.800 -0.062 0.000 2.148 257 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 257 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 257 G C -0.060 174.808 174.900 -0.054 0.000 0.981 257 G CA 0.011 45.081 45.100 -0.050 0.000 0.670 257 G HN 0.196 nan 8.290 nan 0.000 0.528 258 V N 1.633 121.501 119.914 -0.077 0.000 2.347 258 V HA 0.562 4.682 4.120 -0.000 0.000 0.280 258 V C 0.630 176.676 176.094 -0.080 0.000 1.021 258 V CA -0.126 62.128 62.300 -0.076 0.000 0.847 258 V CB 1.540 33.302 31.823 -0.101 0.000 0.990 258 V HN 0.288 nan 8.190 nan 0.000 0.444 259 T N 4.694 119.215 114.554 -0.055 0.000 2.845 259 T HA 0.464 4.814 4.350 -0.000 0.000 0.288 259 T C -0.112 174.561 174.700 -0.044 0.000 0.980 259 T CA -0.286 61.785 62.100 -0.049 0.000 1.071 259 T CB 1.496 70.344 68.868 -0.032 0.000 0.941 259 T HN 0.347 nan 8.240 nan 0.000 0.487 260 V N 5.457 125.342 119.914 -0.049 0.000 2.313 260 V HA 0.222 4.342 4.120 -0.000 0.000 0.278 260 V C 1.101 177.178 176.094 -0.028 0.000 1.017 260 V CA -0.719 61.557 62.300 -0.040 0.000 0.823 260 V CB 1.179 32.968 31.823 -0.057 0.000 1.010 260 V HN 0.764 nan 8.190 nan 0.000 0.443 261 K N 3.152 123.543 120.400 -0.015 0.000 2.025 261 K HA 0.032 4.352 4.320 -0.000 0.000 0.207 261 K C 1.458 178.051 176.600 -0.013 0.000 1.049 261 K CA 1.168 57.450 56.287 -0.010 0.000 0.933 261 K CB -0.149 32.352 32.500 0.001 0.000 0.714 261 K HN 0.724 nan 8.250 nan 0.000 0.438 262 G N 1.671 110.461 108.800 -0.016 0.000 2.468 262 G HA2 0.040 4.000 3.960 -0.000 0.000 0.264 262 G HA3 0.040 4.000 3.960 -0.000 0.000 0.264 262 G C -0.100 174.769 174.900 -0.052 0.000 1.460 262 G CA -0.318 44.765 45.100 -0.029 0.000 1.060 262 G HN 0.102 nan 8.290 nan 0.000 0.543 263 D N -1.633 118.715 120.400 -0.087 0.000 2.442 263 D HA 0.487 5.127 4.640 -0.000 0.000 0.254 263 D C -0.544 175.657 176.300 -0.164 0.000 1.069 263 D CA -0.255 53.687 54.000 -0.096 0.000 1.017 263 D CB 1.989 42.737 40.800 -0.085 0.000 1.172 263 D HN 0.065 nan 8.370 nan 0.000 0.561 264 V N -0.128 119.714 119.914 -0.119 0.000 2.459 264 V HA 0.769 4.889 4.120 -0.000 0.000 0.295 264 V C 0.586 176.600 176.094 -0.134 0.000 1.029 264 V CA -0.312 61.907 62.300 -0.134 0.000 0.874 264 V CB 1.360 33.172 31.823 -0.018 0.000 0.985 264 V HN 0.789 nan 8.190 nan 0.000 0.438 265 G N 3.233 111.904 108.800 -0.216 0.000 2.606 265 G HA2 0.619 4.579 3.960 -0.000 0.000 0.300 265 G HA3 0.619 4.579 3.960 -0.000 0.000 0.300 265 G C -1.662 173.217 174.900 -0.034 0.000 1.360 265 G CA -0.929 44.104 45.100 -0.113 0.000 0.783 265 G HN 0.572 nan 8.290 nan 0.000 0.484 266 L N 0.134 121.402 121.223 0.075 0.000 2.375 266 L HA 0.761 5.101 4.340 -0.000 0.000 0.271 266 L C 0.742 177.776 176.870 0.274 0.000 1.107 266 L CA -0.143 54.781 54.840 0.140 0.000 0.806 266 L CB 1.460 43.581 42.059 0.104 0.000 1.146 266 L HN 1.005 nan 8.230 nan 0.000 0.447 267 G N 0.692 109.643 108.800 0.251 0.000 2.443 267 G HA2 0.450 4.410 3.960 -0.000 0.000 0.303 267 G HA3 0.450 4.410 3.960 -0.000 0.000 0.303 267 G C -1.114 173.879 174.900 0.154 0.000 1.613 267 G CA -0.355 44.849 45.100 0.174 0.000 0.879 267 G HN 0.806 nan 8.290 nan 0.000 0.632 268 G N -0.555 108.275 108.800 0.050 0.000 2.412 268 G HA2 0.618 4.578 3.960 -0.000 0.000 0.318 268 G HA3 0.618 4.578 3.960 -0.000 0.000 0.318 268 G C 0.225 174.967 174.900 -0.264 0.000 1.146 268 G CA -0.518 44.572 45.100 -0.016 0.000 0.882 268 G HN 1.181 nan 8.290 nan 0.000 0.501 269 V N 3.167 122.766 119.914 -0.525 0.000 2.557 269 V HA -0.010 4.110 4.120 -0.000 0.000 0.301 269 V C -0.697 174.904 176.094 -0.822 0.000 1.026 269 V CA -0.404 61.218 62.300 -1.129 0.000 1.137 269 V CB 1.100 32.491 31.823 -0.721 0.000 0.917 269 V HN 0.676 nan 8.190 nan 0.000 0.484 270 P HA -0.341 nan 4.420 nan 0.000 0.221 270 P C 1.231 178.323 177.300 -0.347 0.000 1.153 270 P CA 2.374 65.054 63.100 -0.701 0.000 0.858 270 P CB 0.064 31.143 31.700 -1.035 0.000 0.783 271 A N -1.139 121.519 122.820 -0.271 0.000 2.640 271 A HA -0.280 4.039 4.320 -0.000 0.000 0.233 271 A C 1.342 178.928 177.584 0.003 0.000 0.621 271 A CA 1.705 53.685 52.037 -0.094 0.000 1.214 271 A CB -2.605 16.343 19.000 -0.086 0.000 1.351 271 A HN 0.476 nan 8.150 nan 0.000 0.694 272 D N -2.099 118.309 120.400 0.013 0.000 2.346 272 D HA 0.111 4.751 4.640 -0.000 0.000 0.248 272 D C -0.242 176.208 176.300 0.251 0.000 1.173 272 D CA 0.210 54.268 54.000 0.096 0.000 0.878 272 D CB -0.291 40.555 40.800 0.077 0.000 0.919 272 D HN 0.619 nan 8.370 nan 0.000 0.513 273 W N 1.963 123.220 121.300 -0.072 0.000 2.298 273 W HA 0.314 4.974 4.660 -0.000 0.000 0.327 273 W C 1.126 177.609 176.519 -0.060 0.000 0.988 273 W CA -0.938 56.363 57.345 -0.074 0.000 1.448 273 W CB 0.928 30.316 29.460 -0.120 0.000 1.243 273 W HN -0.022 nan 8.180 nan 0.000 0.388 274 Q N 0.504 120.370 119.800 0.110 0.000 2.339 274 Q HA -0.027 4.313 4.340 -0.000 0.000 0.205 274 Q C -0.097 175.915 176.000 0.019 0.000 0.925 274 Q CA 0.808 56.644 55.803 0.054 0.000 0.898 274 Q CB 0.533 29.289 28.738 0.031 0.000 1.013 274 Q HN 0.214 nan 8.270 nan 0.000 0.504 275 D N 0.778 121.164 120.400 -0.023 0.000 3.035 275 D HA 0.251 4.890 4.640 -0.000 0.000 0.290 275 D C -0.709 175.549 176.300 -0.070 0.000 1.360 275 D CA -0.125 53.848 54.000 -0.045 0.000 0.862 275 D CB 0.230 40.991 40.800 -0.064 0.000 1.078 275 D HN 0.140 nan 8.370 nan 0.000 0.487 276 A N 0.818 123.627 122.820 -0.019 0.000 2.587 276 A HA 0.107 4.427 4.320 -0.000 0.000 0.233 276 A C 0.537 178.108 177.584 -0.022 0.000 1.049 276 A CA 0.338 52.374 52.037 -0.001 0.000 0.754 276 A CB 0.264 19.334 19.000 0.116 0.000 0.977 276 A HN 0.133 nan 8.150 nan 0.000 0.509 277 E N 2.008 122.186 120.200 -0.036 0.000 2.102 277 E HA 0.446 4.796 4.350 -0.000 0.000 0.263 277 E C -1.055 175.559 176.600 0.022 0.000 0.894 277 E CA -0.397 55.990 56.400 -0.021 0.000 0.746 277 E CB 1.018 30.689 29.700 -0.049 0.000 1.129 277 E HN 0.341 nan 8.360 nan 0.000 0.416 278 V N 7.299 127.226 119.914 0.022 0.000 2.415 278 V HA 0.051 4.171 4.120 -0.000 0.000 0.267 278 V C 1.238 177.353 176.094 0.035 0.000 1.042 278 V CA 0.180 62.500 62.300 0.033 0.000 1.000 278 V CB 0.468 32.298 31.823 0.012 0.000 1.015 278 V HN 0.809 nan 8.190 nan 0.000 0.478 279 L N 4.031 125.289 121.223 0.058 0.000 2.509 279 L HA 0.479 4.819 4.340 -0.000 0.000 0.222 279 L C 0.892 177.802 176.870 0.066 0.000 1.123 279 L CA 0.705 55.582 54.840 0.062 0.000 0.856 279 L CB 0.027 42.137 42.059 0.085 0.000 0.985 279 L HN 0.777 nan 8.230 nan 0.000 0.456 280 A N 0.005 122.863 122.820 0.064 0.000 2.597 280 A HA 0.577 4.897 4.320 -0.000 0.000 0.292 280 A C -1.893 175.711 177.584 0.035 0.000 1.057 280 A CA -0.651 51.424 52.037 0.062 0.000 0.674 280 A CB 1.343 20.408 19.000 0.108 0.000 1.278 280 A HN 0.084 nan 8.150 nan 0.000 0.416 281 D N -0.126 120.295 120.400 0.036 0.000 2.622 281 D HA 0.590 5.230 4.640 -0.000 0.000 0.255 281 D C -1.230 175.117 176.300 0.077 0.000 1.246 281 D CA -0.218 53.794 54.000 0.020 0.000 0.795 281 D CB 1.490 42.280 40.800 -0.017 0.000 1.369 281 D HN 0.795 nan 8.370 nan 0.000 0.425 282 H N -1.199 117.834 119.070 -0.062 0.000 2.996 282 H HA 0.592 5.148 4.556 -0.000 0.000 0.368 282 H C -1.586 173.701 175.328 -0.068 0.000 1.185 282 H CA -0.101 55.915 56.048 -0.053 0.000 1.160 282 H CB 2.318 32.051 29.762 -0.048 0.000 1.820 282 H HN 0.353 nan 8.280 nan 0.000 0.547 283 T N 3.178 117.243 114.554 -0.815 0.000 2.841 283 T HA 0.383 4.733 4.350 -0.000 0.000 0.285 283 T C -0.257 174.014 174.700 -0.715 0.000 0.991 283 T CA -0.584 61.172 62.100 -0.574 0.000 0.966 283 T CB 0.987 69.662 68.868 -0.322 0.000 0.962 283 T HN 0.741 nan 8.240 nan 0.000 0.438 284 S N 2.527 118.003 115.700 -0.373 0.000 2.617 284 S HA 0.722 5.192 4.470 -0.000 0.000 0.259 284 S C 0.754 175.287 174.600 -0.111 0.000 1.301 284 S CA -0.718 57.386 58.200 -0.161 0.000 0.984 284 S CB 0.424 63.629 63.200 0.008 0.000 0.954 284 S HN 0.950 nan 8.310 nan 0.000 0.572 285 A N 0.369 123.163 122.820 -0.043 0.000 2.327 285 A HA 0.365 4.685 4.320 -0.000 0.000 0.255 285 A C 0.449 178.030 177.584 -0.005 0.000 1.099 285 A CA -0.535 51.493 52.037 -0.015 0.000 0.801 285 A CB -0.385 18.631 19.000 0.027 0.000 1.062 285 A HN 0.893 nan 8.150 nan 0.000 0.496 286 E N -0.634 119.565 120.200 -0.001 0.000 2.392 286 E HA 0.113 4.463 4.350 -0.000 0.000 0.259 286 E C 0.841 177.480 176.600 0.066 0.000 1.108 286 E CA -0.500 55.899 56.400 -0.002 0.000 0.916 286 E CB 0.526 30.224 29.700 -0.003 0.000 0.989 286 E HN 0.573 nan 8.360 nan 0.000 0.432 287 L N 2.900 124.173 121.223 0.085 0.000 2.089 287 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 287 L C 2.172 179.125 176.870 0.139 0.000 1.079 287 L CA 2.442 57.374 54.840 0.153 0.000 0.758 287 L CB -0.821 41.322 42.059 0.140 0.000 0.891 287 L HN 0.667 nan 8.230 nan 0.000 0.433 288 S N -1.646 114.121 115.700 0.113 0.000 2.383 288 S HA -0.214 4.256 4.470 -0.000 0.000 0.229 288 S C 1.864 176.548 174.600 0.140 0.000 1.030 288 S CA 1.294 59.570 58.200 0.126 0.000 1.002 288 S CB -0.522 62.747 63.200 0.114 0.000 0.829 288 S HN 0.540 nan 8.310 nan 0.000 0.467 289 E N 1.261 121.540 120.200 0.131 0.000 2.122 289 E HA 0.263 4.613 4.350 -0.000 0.000 0.190 289 E C 1.917 178.634 176.600 0.195 0.000 0.977 289 E CA 0.650 57.140 56.400 0.151 0.000 0.820 289 E CB -0.418 29.357 29.700 0.125 0.000 0.770 289 E HN 0.620 nan 8.360 nan 0.000 0.462 290 I N 0.430 121.100 120.570 0.167 0.000 2.361 290 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 290 I C 1.913 178.196 176.117 0.277 0.000 1.133 290 I CA 0.683 62.082 61.300 0.164 0.000 1.413 290 I CB -0.187 37.846 38.000 0.054 0.000 1.073 290 I HN 0.114 nan 8.210 nan 0.000 0.424 291 L N -0.024 121.363 121.223 0.274 0.000 2.187 291 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 291 L C 2.513 179.544 176.870 0.268 0.000 1.100 291 L CA 0.954 56.002 54.840 0.346 0.000 0.765 291 L CB -0.554 41.654 42.059 0.248 0.000 0.904 291 L HN 0.119 nan 8.230 nan 0.000 0.437 292 V N 0.465 120.518 119.914 0.232 0.000 2.223 292 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 292 V C -0.137 176.042 176.094 0.141 0.000 1.045 292 V CA 2.174 64.571 62.300 0.162 0.000 1.000 292 V CB -1.815 30.149 31.823 0.235 0.000 0.635 292 V HN 0.371 nan 8.190 nan 0.000 0.445 293 P HA -0.211 nan 4.420 nan 0.000 0.220 293 P C 1.782 179.334 177.300 0.420 0.000 1.148 293 P CA 1.696 65.042 63.100 0.410 0.000 0.803 293 P CB -0.166 31.968 31.700 0.724 0.000 0.782 294 F N 0.623 120.767 119.950 0.324 0.000 2.031 294 F HA -0.193 4.334 4.527 -0.000 0.000 0.295 294 F C 2.178 178.031 175.800 0.088 0.000 1.133 294 F CA 1.415 59.598 58.000 0.305 0.000 1.188 294 F CB -0.334 38.868 39.000 0.338 0.000 0.974 294 F HN -0.288 nan 8.300 nan 0.000 0.473 295 M N 0.408 119.813 119.600 -0.325 0.000 2.236 295 M HA -0.088 4.392 4.480 -0.000 0.000 0.266 295 M C 1.922 177.983 176.300 -0.398 0.000 1.070 295 M CA 1.131 56.096 55.300 -0.557 0.000 1.137 295 M CB -0.999 31.285 32.600 -0.528 0.000 1.378 295 M HN 0.107 nan 8.290 nan 0.000 0.426 296 K N 0.184 120.330 120.400 -0.423 0.000 2.057 296 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 296 K C 1.590 177.780 176.600 -0.683 0.000 1.049 296 K CA 1.396 57.295 56.287 -0.647 0.000 0.931 296 K CB -0.360 31.530 32.500 -1.017 0.000 0.714 296 K HN 0.301 nan 8.250 nan 0.000 0.440 297 F N 0.360 120.211 119.950 -0.164 0.000 2.695 297 F HA 0.216 4.743 4.527 -0.000 0.000 0.303 297 F C 0.726 176.464 175.800 -0.103 0.000 1.091 297 F CA -0.495 57.421 58.000 -0.141 0.000 1.300 297 F CB -0.055 38.854 39.000 -0.152 0.000 1.071 297 F HN -0.202 nan 8.300 nan 0.000 0.578 298 S N 1.283 116.974 115.700 -0.015 0.000 3.697 298 S HA -0.306 4.163 4.470 -0.000 0.000 0.388 298 S C 0.149 174.801 174.600 0.087 0.000 0.941 298 S CA 0.154 58.337 58.200 -0.028 0.000 1.247 298 S CB -1.978 61.192 63.200 -0.051 0.000 0.904 298 S HN 0.627 nan 8.310 nan 0.000 0.518 299 N N 1.328 120.137 118.700 0.181 0.000 2.399 299 N HA 0.253 4.993 4.740 -0.000 0.000 0.259 299 N C 1.167 176.830 175.510 0.255 0.000 1.160 299 N CA -0.423 52.708 53.050 0.133 0.000 0.946 299 N CB 0.353 38.746 38.487 -0.156 0.000 1.156 299 N HN 0.361 nan 8.380 nan 0.000 0.489 300 N N 2.680 121.494 118.700 0.190 0.000 2.120 300 N HA -0.096 4.643 4.740 -0.000 0.000 0.188 300 N C 1.797 177.475 175.510 0.279 0.000 1.024 300 N CA 1.114 54.306 53.050 0.237 0.000 0.852 300 N CB -0.446 38.133 38.487 0.154 0.000 1.003 300 N HN 0.692 nan 8.380 nan 0.000 0.424 301 G N 0.614 109.547 108.800 0.222 0.000 2.440 301 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 301 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 301 G C 1.244 176.301 174.900 0.262 0.000 1.154 301 G CA 0.931 46.184 45.100 0.255 0.000 0.767 301 G HN 0.352 nan 8.290 nan 0.000 0.552 302 H N 1.034 120.131 119.070 0.044 0.000 2.319 302 H HA 0.051 4.607 4.556 -0.000 0.000 0.299 302 H C 2.897 178.010 175.328 -0.358 0.000 1.092 302 H CA 1.072 56.992 56.048 -0.215 0.000 1.302 302 H CB -0.845 28.705 29.762 -0.354 0.000 1.373 302 H HN 0.362 nan 8.280 nan 0.000 0.497 303 A N 1.372 124.163 122.820 -0.047 0.000 1.883 303 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 303 A C 2.252 179.925 177.584 0.148 0.000 1.186 303 A CA 1.902 53.990 52.037 0.086 0.000 0.624 303 A CB -0.197 19.071 19.000 0.447 0.000 0.822 303 A HN 0.332 nan 8.150 nan 0.000 0.444 304 E N -0.405 119.945 120.200 0.250 0.000 2.150 304 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 304 E C 2.043 178.629 176.600 -0.024 0.000 0.985 304 E CA 1.099 57.667 56.400 0.281 0.000 0.814 304 E CB -0.480 29.534 29.700 0.522 0.000 0.752 304 E HN 0.734 nan 8.360 nan 0.000 0.466 305 M N 0.153 119.761 119.600 0.013 0.000 2.175 305 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 305 M C 2.341 178.615 176.300 -0.043 0.000 1.063 305 M CA 1.063 56.379 55.300 0.027 0.000 1.119 305 M CB -0.209 32.451 32.600 0.100 0.000 1.377 305 M HN 0.052 nan 8.290 nan 0.000 0.415 306 L N -0.745 120.432 121.223 -0.077 0.000 2.083 306 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 306 L C 2.408 179.253 176.870 -0.043 0.000 1.083 306 L CA 0.816 55.632 54.840 -0.040 0.000 0.752 306 L CB -0.661 41.343 42.059 -0.092 0.000 0.899 306 L HN 0.124 nan 8.230 nan 0.000 0.433 307 V N 0.109 119.987 119.914 -0.060 0.000 2.287 307 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 307 V C 2.461 178.411 176.094 -0.240 0.000 1.053 307 V CA 1.843 64.102 62.300 -0.068 0.000 1.027 307 V CB -0.511 31.339 31.823 0.046 0.000 0.646 307 V HN 0.437 nan 8.190 nan 0.000 0.447 308 K N -0.321 119.762 120.400 -0.529 0.000 2.148 308 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 308 K C 2.404 178.669 176.600 -0.558 0.000 1.050 308 K CA 1.457 57.224 56.287 -0.867 0.000 0.942 308 K CB -0.253 31.143 32.500 -1.840 0.000 0.724 308 K HN 0.341 nan 8.250 nan 0.000 0.446 309 S N 1.278 116.865 115.700 -0.188 0.000 2.383 309 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 309 S C 1.885 176.514 174.600 0.047 0.000 1.026 309 S CA 0.789 59.116 58.200 0.212 0.000 0.981 309 S CB -0.094 63.366 63.200 0.433 0.000 0.818 309 S HN 0.206 nan 8.310 nan 0.000 0.472 310 I N 1.191 121.740 120.570 -0.035 0.000 2.394 310 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 310 I C 2.561 178.635 176.117 -0.072 0.000 1.136 310 I CA 1.008 62.281 61.300 -0.045 0.000 1.425 310 I CB -0.636 37.345 38.000 -0.032 0.000 1.079 310 I HN 0.352 nan 8.210 nan 0.000 0.425 311 G N -0.183 108.538 108.800 -0.132 0.000 2.418 311 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 311 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 311 G C 1.598 176.403 174.900 -0.158 0.000 1.158 311 G CA 0.263 45.271 45.100 -0.153 0.000 0.771 311 G HN 0.256 nan 8.290 nan 0.000 0.545 312 Q N -0.000 119.686 119.800 -0.190 0.000 2.050 312 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 312 Q C 2.480 178.421 176.000 -0.099 0.000 0.980 312 Q CA 1.592 57.249 55.803 -0.244 0.000 0.840 312 Q CB -0.249 28.250 28.738 -0.397 0.000 0.898 312 Q HN 0.538 nan 8.270 nan 0.000 0.424 313 E N 0.059 120.248 120.200 -0.020 0.000 2.072 313 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 313 E C 1.824 178.418 176.600 -0.010 0.000 0.985 313 E CA 1.982 58.390 56.400 0.013 0.000 0.801 313 E CB -0.122 29.578 29.700 0.001 0.000 0.750 313 E HN 0.433 nan 8.360 nan 0.000 0.452 314 T N -3.290 111.246 114.554 -0.030 0.000 3.054 314 T HA 0.312 4.662 4.350 -0.000 0.000 0.259 314 T C 1.357 176.037 174.700 -0.033 0.000 1.092 314 T CA 0.638 62.723 62.100 -0.025 0.000 1.121 314 T CB 0.364 69.218 68.868 -0.023 0.000 0.912 314 T HN 0.137 nan 8.240 nan 0.000 0.489 315 A N -0.205 122.582 122.820 -0.056 0.000 2.701 315 A HA 0.699 5.019 4.320 -0.000 0.000 0.241 315 A C 1.548 179.083 177.584 -0.080 0.000 1.231 315 A CA 0.358 52.360 52.037 -0.059 0.000 1.003 315 A CB -0.227 18.737 19.000 -0.059 0.000 1.281 315 A HN 1.294 nan 8.150 nan 0.000 0.600 316 G N -0.696 108.040 108.800 -0.107 0.000 2.198 316 G HA2 0.182 4.142 3.960 -0.000 0.000 0.260 316 G HA3 0.182 4.142 3.960 -0.000 0.000 0.260 316 G C 0.258 175.040 174.900 -0.198 0.000 1.025 316 G CA 0.455 45.466 45.100 -0.148 0.000 0.769 316 G HN 1.960 nan 8.290 nan 0.000 0.507 317 A N -0.365 122.330 122.820 -0.210 0.000 2.411 317 A HA 0.780 5.100 4.320 -0.000 0.000 0.285 317 A C 0.505 177.927 177.584 -0.270 0.000 1.129 317 A CA 0.452 52.362 52.037 -0.212 0.000 0.736 317 A CB 1.255 20.170 19.000 -0.142 0.000 1.186 317 A HN 1.705 nan 8.150 nan 0.000 0.445 318 G N 2.570 111.178 108.800 -0.319 0.000 3.101 318 G HA2 0.452 4.412 3.960 -0.000 0.000 0.272 318 G HA3 0.452 4.412 3.960 -0.000 0.000 0.272 318 G C 0.322 174.951 174.900 -0.452 0.000 0.801 318 G CA 0.666 45.526 45.100 -0.400 0.000 1.978 318 G HN 1.163 nan 8.290 nan 0.000 0.591 319 T N -2.973 111.343 114.554 -0.396 0.000 2.901 319 T HA 0.368 4.718 4.350 -0.000 0.000 0.293 319 T C 0.591 175.111 174.700 -0.300 0.000 1.084 319 T CA -0.938 60.960 62.100 -0.338 0.000 1.008 319 T CB 1.669 70.442 68.868 -0.158 0.000 1.170 319 T HN 0.207 nan 8.240 nan 0.000 0.509 320 W N 0.785 121.970 121.300 -0.192 0.000 2.381 320 W HA -0.004 4.656 4.660 -0.000 0.000 0.301 320 W C 1.468 177.912 176.519 -0.125 0.000 1.205 320 W CA 1.230 58.475 57.345 -0.166 0.000 1.285 320 W CB -0.607 28.753 29.460 -0.167 0.000 1.133 320 W HN 0.790 nan 8.180 nan 0.000 0.521 321 D N -0.073 120.394 120.400 0.112 0.000 2.097 321 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 321 D C 2.252 178.554 176.300 0.004 0.000 0.989 321 D CA 2.040 56.066 54.000 0.042 0.000 0.827 321 D CB -0.824 39.985 40.800 0.016 0.000 0.966 321 D HN 0.007 nan 8.370 nan 0.000 0.456 322 A N 0.823 123.623 122.820 -0.034 0.000 1.898 322 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 322 A C 2.387 179.939 177.584 -0.054 0.000 1.181 322 A CA 2.119 54.122 52.037 -0.056 0.000 0.620 322 A CB -1.086 17.858 19.000 -0.094 0.000 0.819 322 A HN 0.305 nan 8.150 nan 0.000 0.442 323 G N -0.317 108.439 108.800 -0.074 0.000 2.418 323 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.217 323 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.217 323 G C 1.369 176.273 174.900 0.006 0.000 1.158 323 G CA 1.171 46.234 45.100 -0.062 0.000 0.771 323 G HN 0.347 nan 8.290 nan 0.000 0.545 324 L N 0.475 121.724 121.223 0.044 0.000 2.083 324 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 324 L C 3.055 179.940 176.870 0.025 0.000 1.083 324 L CA 0.756 55.627 54.840 0.051 0.000 0.752 324 L CB -0.686 41.405 42.059 0.054 0.000 0.899 324 L HN 0.089 nan 8.230 nan 0.000 0.433 325 V N -0.323 119.597 119.914 0.010 0.000 2.295 325 V HA -0.215 3.904 4.120 -0.000 0.000 0.246 325 V C 2.563 178.662 176.094 0.008 0.000 1.049 325 V CA 1.898 64.200 62.300 0.004 0.000 1.024 325 V CB -1.395 30.425 31.823 -0.005 0.000 0.648 325 V HN 0.565 nan 8.190 nan 0.000 0.447 326 G N -0.297 108.504 108.800 0.002 0.000 2.442 326 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.219 326 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.219 326 G C 1.658 176.572 174.900 0.024 0.000 1.141 326 G CA 1.289 46.392 45.100 0.005 0.000 0.763 326 G HN 0.390 nan 8.290 nan 0.000 0.554 327 V N 0.628 120.564 119.914 0.037 0.000 2.307 327 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 327 V C 2.738 178.874 176.094 0.069 0.000 1.045 327 V CA 2.055 64.395 62.300 0.066 0.000 1.024 327 V CB -0.246 31.630 31.823 0.088 0.000 0.651 327 V HN 0.403 nan 8.190 nan 0.000 0.449 328 E N 0.554 120.782 120.200 0.046 0.000 2.077 328 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 328 E C 2.161 178.786 176.600 0.042 0.000 0.989 328 E CA 1.737 58.159 56.400 0.037 0.000 0.800 328 E CB -0.103 29.604 29.700 0.012 0.000 0.746 328 E HN 0.720 nan 8.360 nan 0.000 0.452 329 E N 0.064 120.284 120.200 0.033 0.000 2.110 329 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 329 E C 2.040 178.666 176.600 0.043 0.000 0.988 329 E CA 0.908 57.327 56.400 0.031 0.000 0.804 329 E CB -0.120 29.592 29.700 0.020 0.000 0.745 329 E HN 0.307 nan 8.360 nan 0.000 0.458 330 A N 1.277 124.128 122.820 0.051 0.000 1.898 330 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 330 A C 2.201 179.836 177.584 0.085 0.000 1.181 330 A CA 0.965 53.041 52.037 0.064 0.000 0.620 330 A CB -0.585 18.452 19.000 0.062 0.000 0.819 330 A HN 0.113 nan 8.150 nan 0.000 0.442 331 L N -0.543 120.739 121.223 0.099 0.000 2.017 331 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 331 L C 2.865 179.790 176.870 0.091 0.000 1.073 331 L CA 1.545 56.459 54.840 0.123 0.000 0.745 331 L CB -0.485 41.678 42.059 0.172 0.000 0.894 331 L HN 0.316 nan 8.230 nan 0.000 0.432 332 S N -0.003 115.739 115.700 0.069 0.000 2.382 332 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 332 S C 1.946 176.571 174.600 0.042 0.000 1.027 332 S CA 1.214 59.444 58.200 0.050 0.000 0.991 332 S CB -0.520 62.702 63.200 0.037 0.000 0.823 332 S HN 0.611 nan 8.310 nan 0.000 0.469 333 G N 0.646 109.473 108.800 0.045 0.000 2.559 333 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.216 333 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.216 333 G C 1.134 176.058 174.900 0.040 0.000 1.126 333 G CA 0.283 45.407 45.100 0.039 0.000 0.778 333 G HN 0.435 nan 8.290 nan 0.000 0.543 334 L N 0.114 121.368 121.223 0.051 0.000 2.592 334 L HA 0.415 4.755 4.340 -0.000 0.000 0.227 334 L C 1.768 178.646 176.870 0.013 0.000 1.127 334 L CA 1.109 55.973 54.840 0.041 0.000 0.884 334 L CB 0.107 42.214 42.059 0.080 0.000 1.065 334 L HN 0.302 nan 8.230 nan 0.000 0.457 335 G N -0.934 107.879 108.800 0.022 0.000 2.141 335 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.231 335 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.231 335 G C 0.080 174.998 174.900 0.029 0.000 0.984 335 G CA 0.095 45.204 45.100 0.015 0.000 0.660 335 G HN 0.180 nan 8.290 nan 0.000 0.525 336 V N 1.440 121.384 119.914 0.050 0.000 2.432 336 V HA 0.428 4.548 4.120 -0.000 0.000 0.275 336 V C 0.327 176.464 176.094 0.072 0.000 1.043 336 V CA -0.762 61.583 62.300 0.075 0.000 0.925 336 V CB 1.762 33.659 31.823 0.124 0.000 0.985 336 V HN 0.330 nan 8.190 nan 0.000 0.466 337 D N 3.848 124.286 120.400 0.065 0.000 2.338 337 D HA 0.051 4.691 4.640 -0.000 0.000 0.255 337 D C 1.140 177.473 176.300 0.055 0.000 1.237 337 D CA 0.081 54.111 54.000 0.049 0.000 0.883 337 D CB 1.481 42.305 40.800 0.041 0.000 1.087 337 D HN 0.755 nan 8.370 nan 0.000 0.485 338 T N 0.833 115.410 114.554 0.038 0.000 3.163 338 T HA 0.314 4.664 4.350 -0.000 0.000 0.252 338 T C 1.588 176.281 174.700 -0.010 0.000 1.056 338 T CA 0.183 62.291 62.100 0.014 0.000 0.947 338 T CB 0.367 69.241 68.868 0.011 0.000 1.016 338 T HN 0.244 nan 8.240 nan 0.000 0.554 339 A N 1.694 124.514 122.820 0.001 0.000 1.940 339 A HA 0.241 4.561 4.320 -0.000 0.000 0.219 339 A C 2.392 179.967 177.584 -0.016 0.000 1.176 339 A CA 1.338 53.371 52.037 -0.006 0.000 0.631 339 A CB -1.236 17.765 19.000 0.002 0.000 0.814 339 A HN 0.634 nan 8.150 nan 0.000 0.446 340 G N -1.217 107.574 108.800 -0.016 0.000 3.088 340 G HA2 0.402 4.362 3.960 -0.000 0.000 0.212 340 G HA3 0.402 4.362 3.960 -0.000 0.000 0.212 340 G C 0.318 175.184 174.900 -0.058 0.000 1.173 340 G CA -0.281 44.805 45.100 -0.023 0.000 0.779 340 G HN 0.360 nan 8.290 nan 0.000 0.540 341 L N 0.841 122.010 121.223 -0.090 0.000 2.325 341 L HA 0.546 4.886 4.340 -0.000 0.000 0.279 341 L C -0.697 176.101 176.870 -0.122 0.000 1.054 341 L CA -0.838 53.905 54.840 -0.162 0.000 0.804 341 L CB 2.322 44.223 42.059 -0.263 0.000 1.200 341 L HN -0.227 nan 8.230 nan 0.000 0.436 342 V N 4.790 124.628 119.914 -0.127 0.000 2.409 342 V HA 0.367 4.487 4.120 -0.000 0.000 0.290 342 V C -0.210 175.825 176.094 -0.099 0.000 1.017 342 V CA -0.391 61.856 62.300 -0.088 0.000 0.841 342 V CB 1.846 33.632 31.823 -0.062 0.000 1.003 342 V HN 0.497 nan 8.190 nan 0.000 0.426 343 L N 4.206 125.379 121.223 -0.083 0.000 2.265 343 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 343 L C 0.751 177.587 176.870 -0.055 0.000 1.033 343 L CA -0.238 54.562 54.840 -0.067 0.000 0.814 343 L CB 1.128 43.159 42.059 -0.047 0.000 1.203 343 L HN 0.555 nan 8.230 nan 0.000 0.423 344 N N 0.990 119.652 118.700 -0.064 0.000 2.332 344 N HA 0.018 4.758 4.740 -0.000 0.000 0.190 344 N C -0.638 174.760 175.510 -0.187 0.000 1.117 344 N CA 0.182 53.165 53.050 -0.112 0.000 0.883 344 N CB 0.753 39.178 38.487 -0.103 0.000 1.089 344 N HN 0.839 nan 8.380 nan 0.000 0.480 345 D N -3.489 116.859 120.400 -0.086 0.000 2.692 345 D HA 0.273 4.913 4.640 -0.000 0.000 0.290 345 D C 0.589 176.968 176.300 0.131 0.000 1.281 345 D CA -0.561 53.403 54.000 -0.060 0.000 0.804 345 D CB 0.407 41.163 40.800 -0.073 0.000 1.331 345 D HN -0.101 nan 8.370 nan 0.000 0.432 346 G N -1.089 107.866 108.800 0.258 0.000 2.719 346 G HA2 0.035 3.995 3.960 -0.000 0.000 0.211 346 G HA3 0.035 3.995 3.960 -0.000 0.000 0.211 346 G C 1.102 176.182 174.900 0.301 0.000 1.140 346 G CA 0.792 46.058 45.100 0.277 0.000 0.790 346 G HN 0.593 nan 8.290 nan 0.000 0.529 347 S N -0.680 115.211 115.700 0.318 0.000 2.446 347 S HA 0.340 4.810 4.470 -0.000 0.000 0.225 347 S C 1.951 176.651 174.600 0.168 0.000 1.016 347 S CA 1.220 59.588 58.200 0.280 0.000 0.943 347 S CB -0.027 63.349 63.200 0.294 0.000 0.786 347 S HN 1.422 nan 8.310 nan 0.000 0.508 348 G N 0.991 109.878 108.800 0.145 0.000 2.176 348 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.232 348 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.232 348 G C 0.498 175.392 174.900 -0.010 0.000 0.986 348 G CA 0.303 45.442 45.100 0.066 0.000 0.643 348 G HN 0.489 nan 8.290 nan 0.000 0.522 349 L N 0.952 122.164 121.223 -0.018 0.000 2.093 349 L HA 0.184 4.524 4.340 -0.000 0.000 0.208 349 L C 1.928 178.683 176.870 -0.192 0.000 1.085 349 L CA 1.527 56.229 54.840 -0.231 0.000 0.755 349 L CB -0.313 41.413 42.059 -0.555 0.000 0.904 349 L HN 0.409 nan 8.230 nan 0.000 0.435 350 S N 0.037 115.794 115.700 0.095 0.000 2.537 350 S HA -0.003 4.467 4.470 -0.000 0.000 0.286 350 S C 1.233 175.814 174.600 -0.033 0.000 1.299 350 S CA -0.485 57.780 58.200 0.108 0.000 1.067 350 S CB 0.540 63.819 63.200 0.133 0.000 0.864 350 S HN 0.251 nan 8.310 nan 0.000 0.494 351 R N 3.684 124.143 120.500 -0.068 0.000 2.323 351 R HA 0.019 4.359 4.340 -0.000 0.000 0.198 351 R C 1.911 178.207 176.300 -0.007 0.000 0.988 351 R CA 0.783 56.854 56.100 -0.048 0.000 1.041 351 R CB -0.809 29.488 30.300 -0.005 0.000 0.926 351 R HN 0.773 nan 8.270 nan 0.000 0.476 352 G N 0.653 109.448 108.800 -0.008 0.000 2.813 352 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.209 352 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.209 352 G C 0.557 175.440 174.900 -0.029 0.000 1.150 352 G CA -0.265 44.825 45.100 -0.016 0.000 0.785 352 G HN 0.189 nan 8.290 nan 0.000 0.535 353 N N 0.297 118.980 118.700 -0.028 0.000 2.503 353 N HA 0.499 5.238 4.740 -0.000 0.000 0.267 353 N C -0.723 174.763 175.510 -0.040 0.000 1.214 353 N CA 0.235 53.262 53.050 -0.038 0.000 0.959 353 N CB 1.755 40.228 38.487 -0.024 0.000 1.142 353 N HN 0.011 nan 8.380 nan 0.000 0.455 354 L N 0.683 121.868 121.223 -0.063 0.000 2.472 354 L HA 0.537 4.877 4.340 -0.000 0.000 0.260 354 L C -0.347 176.463 176.870 -0.099 0.000 0.963 354 L CA -0.873 53.933 54.840 -0.057 0.000 0.829 354 L CB 2.129 44.161 42.059 -0.044 0.000 1.348 354 L HN 0.314 nan 8.230 nan 0.000 0.408 355 V N -0.967 118.910 119.914 -0.063 0.000 3.112 355 V HA 0.934 5.054 4.120 -0.000 0.000 0.310 355 V C -0.694 175.403 176.094 0.005 0.000 1.364 355 V CA -0.470 61.789 62.300 -0.069 0.000 1.058 355 V CB 2.194 34.010 31.823 -0.012 0.000 1.079 355 V HN 0.838 nan 8.190 nan 0.000 0.463 356 T N -2.577 112.005 114.554 0.047 0.000 2.909 356 T HA 0.782 5.132 4.350 -0.000 0.000 0.299 356 T C 0.801 175.557 174.700 0.094 0.000 1.073 356 T CA 0.006 62.142 62.100 0.059 0.000 0.999 356 T CB 1.644 70.539 68.868 0.045 0.000 1.098 356 T HN 1.901 nan 8.240 nan 0.000 0.477 357 A N 1.403 124.271 122.820 0.081 0.000 1.940 357 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 357 A C 1.899 179.534 177.584 0.085 0.000 1.176 357 A CA 1.838 53.926 52.037 0.084 0.000 0.631 357 A CB -0.968 18.081 19.000 0.082 0.000 0.814 357 A HN 0.903 nan 8.150 nan 0.000 0.446 358 D N -0.600 119.847 120.400 0.079 0.000 2.144 358 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 358 D C 1.991 178.346 176.300 0.092 0.000 0.984 358 D CA 1.828 55.873 54.000 0.073 0.000 0.834 358 D CB -0.540 40.295 40.800 0.058 0.000 0.955 358 D HN 0.422 nan 8.370 nan 0.000 0.465 359 T N 0.528 115.156 114.554 0.123 0.000 2.777 359 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 359 T C 2.280 177.134 174.700 0.256 0.000 1.040 359 T CA 0.608 62.822 62.100 0.190 0.000 1.141 359 T CB -0.230 68.758 68.868 0.200 0.000 0.868 359 T HN -0.024 nan 8.240 nan 0.000 0.444 360 V N 1.274 121.330 119.914 0.236 0.000 2.295 360 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 360 V C 2.678 178.764 176.094 -0.013 0.000 1.049 360 V CA 1.307 63.666 62.300 0.098 0.000 1.024 360 V CB -0.724 31.134 31.823 0.058 0.000 0.648 360 V HN 0.306 nan 8.190 nan 0.000 0.447 361 V N 0.461 120.383 119.914 0.014 0.000 2.407 361 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 361 V C 2.406 178.514 176.094 0.023 0.000 1.055 361 V CA 2.213 64.512 62.300 -0.002 0.000 1.049 361 V CB -0.680 31.162 31.823 0.033 0.000 0.662 361 V HN 0.620 nan 8.190 nan 0.000 0.455 362 D N 0.215 120.645 120.400 0.049 0.000 2.104 362 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 362 D C 2.026 178.346 176.300 0.033 0.000 0.994 362 D CA 1.547 55.579 54.000 0.053 0.000 0.830 362 D CB -0.182 40.665 40.800 0.079 0.000 0.959 362 D HN 0.324 nan 8.370 nan 0.000 0.452 363 L N 0.486 121.721 121.223 0.021 0.000 2.046 363 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 363 L C 2.348 179.198 176.870 -0.034 0.000 1.077 363 L CA 1.422 56.237 54.840 -0.041 0.000 0.747 363 L CB -0.723 41.223 42.059 -0.187 0.000 0.896 363 L HN 0.128 nan 8.230 nan 0.000 0.432 364 L N -0.595 120.634 121.223 0.009 0.000 2.079 364 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 364 L C 2.477 179.475 176.870 0.213 0.000 1.081 364 L CA 1.264 56.176 54.840 0.121 0.000 0.752 364 L CB -1.355 40.629 42.059 -0.125 0.000 0.896 364 L HN 0.498 nan 8.230 nan 0.000 0.433 365 G N -1.258 107.602 108.800 0.099 0.000 2.394 365 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.214 365 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.214 365 G C 1.506 176.398 174.900 -0.013 0.000 1.176 365 G CA 0.077 45.222 45.100 0.075 0.000 0.786 365 G HN 0.229 nan 8.290 nan 0.000 0.533 366 Q N 0.655 120.422 119.800 -0.055 0.000 2.079 366 Q HA 0.024 4.364 4.340 -0.000 0.000 0.200 366 Q C 2.914 178.743 176.000 -0.285 0.000 0.974 366 Q CA 1.395 57.120 55.803 -0.131 0.000 0.840 366 Q CB -0.749 27.936 28.738 -0.088 0.000 0.898 366 Q HN 0.439 nan 8.270 nan 0.000 0.430 367 A N 0.715 123.334 122.820 -0.334 0.000 1.930 367 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 367 A C 2.305 179.542 177.584 -0.578 0.000 1.175 367 A CA 1.571 53.191 52.037 -0.695 0.000 0.627 367 A CB -0.926 17.452 19.000 -1.037 0.000 0.815 367 A HN 0.438 nan 8.150 nan 0.000 0.443 368 G N -0.364 108.307 108.800 -0.215 0.000 2.509 368 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.218 368 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.218 368 G C 1.546 176.316 174.900 -0.216 0.000 1.124 368 G CA 1.488 46.495 45.100 -0.156 0.000 0.776 368 G HN 0.874 nan 8.290 nan 0.000 0.547 369 S N -0.882 114.656 115.700 -0.269 0.000 2.539 369 S HA 0.650 5.119 4.470 -0.000 0.000 0.221 369 S C 1.084 175.469 174.600 -0.359 0.000 0.987 369 S CA 0.341 58.394 58.200 -0.245 0.000 0.929 369 S CB 0.487 63.584 63.200 -0.171 0.000 0.832 369 S HN 0.481 nan 8.310 nan 0.000 0.492 370 A N 3.297 125.747 122.820 -0.616 0.000 2.351 370 A HA 0.567 4.887 4.320 -0.000 0.000 0.257 370 A C -0.745 176.417 177.584 -0.704 0.000 1.087 370 A CA -1.504 49.998 52.037 -0.891 0.000 0.798 370 A CB 0.166 18.009 19.000 -1.928 0.000 1.033 370 A HN 0.282 nan 8.150 nan 0.000 0.488 371 P HA -0.121 nan 4.420 nan 0.000 0.221 371 P C 0.758 177.996 177.300 -0.103 0.000 1.145 371 P CA 1.347 64.308 63.100 -0.232 0.000 0.795 371 P CB -0.063 31.575 31.700 -0.103 0.000 0.775 372 W N -1.755 119.542 121.300 -0.005 0.000 3.330 372 W HA 0.622 5.282 4.660 0.000 0.000 0.348 372 W C 1.174 177.731 176.519 0.064 0.000 1.205 372 W CA -0.023 57.343 57.345 0.035 0.000 1.841 372 W CB -1.170 28.319 29.460 0.048 0.000 1.084 372 W HN -0.125 nan 8.180 nan 0.000 0.665 373 A N 1.777 124.599 122.820 0.003 0.000 1.958 373 A HA -0.329 3.991 4.320 -0.000 0.000 0.221 373 A C 2.112 179.868 177.584 0.286 0.000 1.178 373 A CA 2.358 54.438 52.037 0.073 0.000 0.642 373 A CB -0.614 18.311 19.000 -0.125 0.000 0.816 373 A HN 0.287 nan 8.150 nan 0.000 0.453 374 Q N -0.612 119.307 119.800 0.199 0.000 2.046 374 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 374 Q C 2.463 178.599 176.000 0.226 0.000 0.975 374 Q CA 2.503 58.410 55.803 0.173 0.000 0.836 374 Q CB -0.907 27.898 28.738 0.112 0.000 0.896 374 Q HN 0.842 nan 8.270 nan 0.000 0.428 375 T N -1.959 112.760 114.554 0.274 0.000 2.881 375 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 375 T C 1.538 176.419 174.700 0.301 0.000 1.068 375 T CA 1.082 63.331 62.100 0.249 0.000 1.131 375 T CB -0.591 68.418 68.868 0.235 0.000 0.871 375 T HN 0.550 nan 8.240 nan 0.000 0.479 376 W N 2.146 123.579 121.300 0.220 0.000 2.378 376 W HA -0.098 4.562 4.660 -0.000 0.000 0.313 376 W C 1.944 178.555 176.519 0.154 0.000 1.197 376 W CA 1.223 58.699 57.345 0.218 0.000 1.304 376 W CB -0.661 29.073 29.460 0.457 0.000 1.148 376 W HN 0.338 nan 8.180 nan 0.000 0.494 377 S N 1.400 117.248 115.700 0.246 0.000 2.382 377 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 377 S C 2.138 176.726 174.600 -0.020 0.000 1.027 377 S CA 1.703 59.927 58.200 0.040 0.000 0.991 377 S CB -0.850 62.404 63.200 0.089 0.000 0.823 377 S HN 0.390 nan 8.310 nan 0.000 0.469 378 A N 1.642 124.487 122.820 0.041 0.000 2.070 378 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 378 A C 2.262 179.833 177.584 -0.021 0.000 1.159 378 A CA 1.756 53.807 52.037 0.025 0.000 0.656 378 A CB -0.706 18.335 19.000 0.068 0.000 0.800 378 A HN 0.614 nan 8.150 nan 0.000 0.453 379 S N -0.741 114.921 115.700 -0.062 0.000 2.496 379 S HA 0.216 4.686 4.470 -0.000 0.000 0.224 379 S C 0.584 175.046 174.600 -0.230 0.000 0.996 379 S CA -0.216 57.912 58.200 -0.119 0.000 0.927 379 S CB -0.561 62.572 63.200 -0.112 0.000 0.774 379 S HN 0.377 nan 8.310 nan 0.000 0.524 380 L N 2.323 123.394 121.223 -0.254 0.000 2.349 380 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 380 L C -2.515 174.236 176.870 -0.198 0.000 1.115 380 L CA -2.387 52.289 54.840 -0.275 0.000 0.820 380 L CB 0.183 42.075 42.059 -0.279 0.000 1.135 380 L HN -0.045 nan 8.230 nan 0.000 0.445 381 P HA -0.020 nan 4.420 nan 0.000 0.264 381 P C -0.778 176.458 177.300 -0.107 0.000 1.183 381 P CA 0.021 63.015 63.100 -0.177 0.000 0.763 381 P CB 0.602 32.195 31.700 -0.179 0.000 0.807 382 V N 3.421 123.287 119.914 -0.079 0.000 2.370 382 V HA 0.435 4.555 4.120 -0.000 0.000 0.283 382 V C 0.566 176.638 176.094 -0.037 0.000 1.023 382 V CA -0.978 61.296 62.300 -0.043 0.000 0.857 382 V CB 0.916 32.721 31.823 -0.029 0.000 0.985 382 V HN 0.668 nan 8.190 nan 0.000 0.443 383 A N 4.051 126.855 122.820 -0.028 0.000 2.567 383 A HA 0.445 4.765 4.320 -0.000 0.000 0.240 383 A C 1.604 179.173 177.584 -0.026 0.000 1.053 383 A CA 0.779 52.801 52.037 -0.026 0.000 0.755 383 A CB -0.568 18.419 19.000 -0.023 0.000 0.978 383 A HN 2.254 nan 8.150 nan 0.000 0.507 384 G N 1.426 110.213 108.800 -0.021 0.000 2.166 384 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 384 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 384 G C 0.061 174.958 174.900 -0.006 0.000 0.986 384 G CA 0.540 45.631 45.100 -0.014 0.000 0.683 384 G HN 0.847 nan 8.290 nan 0.000 0.527 385 E N 0.589 120.786 120.200 -0.005 0.000 2.194 385 E HA 0.427 4.777 4.350 -0.000 0.000 0.284 385 E C 1.303 177.916 176.600 0.021 0.000 1.035 385 E CA 0.170 56.574 56.400 0.007 0.000 0.836 385 E CB 1.234 30.937 29.700 0.005 0.000 1.070 385 E HN 0.157 nan 8.360 nan 0.000 0.401 386 S N 2.004 117.722 115.700 0.029 0.000 2.370 386 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 386 S C 0.786 175.426 174.600 0.066 0.000 1.033 386 S CA 0.844 59.069 58.200 0.041 0.000 1.011 386 S CB -0.000 63.221 63.200 0.036 0.000 0.852 386 S HN 0.531 nan 8.310 nan 0.000 0.457 387 D N 1.725 122.171 120.400 0.076 0.000 2.412 387 D HA 0.055 4.695 4.640 -0.000 0.000 0.257 387 D C -1.840 174.554 176.300 0.158 0.000 1.217 387 D CA -1.735 52.338 54.000 0.121 0.000 0.897 387 D CB 1.119 41.989 40.800 0.117 0.000 1.132 387 D HN 0.017 nan 8.370 nan 0.000 0.493 388 P HA -0.137 nan 4.420 nan 0.000 0.216 388 P C 0.985 178.404 177.300 0.198 0.000 1.150 388 P CA 0.970 64.235 63.100 0.276 0.000 0.843 388 P CB -0.005 31.910 31.700 0.359 0.000 0.787 389 F N -1.910 118.145 119.950 0.175 0.000 2.802 389 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 389 F C 1.866 177.629 175.800 -0.061 0.000 1.168 389 F CA 0.679 58.710 58.000 0.051 0.000 1.433 389 F CB -0.367 38.709 39.000 0.127 0.000 1.115 389 F HN -0.206 nan 8.300 nan 0.000 0.582 390 V N -1.898 118.060 119.914 0.074 0.000 2.854 390 V HA 0.173 4.293 4.120 -0.000 0.000 0.236 390 V C 2.383 178.444 176.094 -0.056 0.000 1.157 390 V CA 1.222 63.531 62.300 0.014 0.000 1.187 390 V CB -0.636 31.215 31.823 0.047 0.000 0.949 390 V HN 0.226 nan 8.190 nan 0.000 0.488 391 G N -0.466 108.311 108.800 -0.040 0.000 2.430 391 G HA2 0.326 4.286 3.960 -0.000 0.000 0.216 391 G HA3 0.326 4.286 3.960 -0.000 0.000 0.216 391 G C 1.164 175.993 174.900 -0.119 0.000 1.146 391 G CA 1.113 46.179 45.100 -0.057 0.000 0.793 391 G HN 0.866 nan 8.290 nan 0.000 0.537 392 G N 0.113 108.798 108.800 -0.192 0.000 2.614 392 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.303 392 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.303 392 G C 1.399 176.246 174.900 -0.089 0.000 1.270 392 G CA 2.178 47.084 45.100 -0.323 0.000 0.988 392 G HN 1.212 nan 8.290 nan 0.000 0.551 393 T N -0.513 113.980 114.554 -0.102 0.000 3.163 393 T HA 0.334 4.684 4.350 -0.000 0.000 0.260 393 T C 1.894 176.568 174.700 -0.044 0.000 1.156 393 T CA 1.578 63.655 62.100 -0.040 0.000 1.072 393 T CB -0.017 68.818 68.868 -0.056 0.000 0.937 393 T HN 0.530 nan 8.240 nan 0.000 0.528 394 L N -0.309 120.880 121.223 -0.057 0.000 2.808 394 L HA 0.499 4.839 4.340 -0.000 0.000 0.246 394 L C 2.588 179.442 176.870 -0.027 0.000 1.153 394 L CA 0.044 54.859 54.840 -0.042 0.000 0.956 394 L CB -0.197 41.833 42.059 -0.049 0.000 1.270 394 L HN 0.275 nan 8.230 nan 0.000 0.528 395 A N 0.559 123.369 122.820 -0.017 0.000 1.978 395 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 395 A C 1.562 179.147 177.584 0.003 0.000 1.170 395 A CA 1.555 53.593 52.037 0.001 0.000 0.636 395 A CB -0.256 18.761 19.000 0.028 0.000 0.810 395 A HN 0.458 nan 8.150 nan 0.000 0.448 396 N N -0.301 118.399 118.700 -0.000 0.000 2.273 396 N HA 0.155 4.895 4.740 -0.000 0.000 0.231 396 N C -0.427 175.077 175.510 -0.011 0.000 1.134 396 N CA 0.086 53.135 53.050 -0.003 0.000 0.856 396 N CB 0.527 39.014 38.487 0.000 0.000 1.068 396 N HN 0.451 nan 8.380 nan 0.000 0.510 397 R N -0.117 120.373 120.500 -0.016 0.000 2.740 397 R HA 0.436 4.776 4.340 -0.000 0.000 0.282 397 R C 0.586 176.873 176.300 -0.023 0.000 0.969 397 R CA -0.576 55.511 56.100 -0.021 0.000 0.918 397 R CB 1.654 31.939 30.300 -0.025 0.000 1.175 397 R HN 0.003 nan 8.270 nan 0.000 0.464 398 M N 0.172 119.756 119.600 -0.026 0.000 2.818 398 M HA -0.281 4.199 4.480 -0.000 0.000 0.194 398 M C -0.391 175.894 176.300 -0.024 0.000 0.586 398 M CA 1.111 56.393 55.300 -0.030 0.000 0.664 398 M CB -1.284 31.294 32.600 -0.036 0.000 2.418 398 M HN 0.543 nan 8.290 nan 0.000 0.517 399 R N 0.674 121.163 120.500 -0.018 0.000 2.590 399 R HA 0.315 4.655 4.340 -0.000 0.000 0.274 399 R C 1.427 177.720 176.300 -0.012 0.000 1.061 399 R CA 1.014 57.107 56.100 -0.012 0.000 1.081 399 R CB 0.332 30.628 30.300 -0.007 0.000 0.984 399 R HN 0.527 nan 8.270 nan 0.000 0.448 400 G N 1.264 110.059 108.800 -0.009 0.000 2.155 400 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 400 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 400 G C 0.264 175.160 174.900 -0.007 0.000 0.983 400 G CA 0.782 45.879 45.100 -0.006 0.000 0.676 400 G HN 0.755 nan 8.290 nan 0.000 0.528 401 T N -3.922 110.624 114.554 -0.013 0.000 2.938 401 T HA 0.803 5.153 4.350 -0.000 0.000 0.285 401 T C 1.536 176.228 174.700 -0.014 0.000 1.028 401 T CA 0.352 62.443 62.100 -0.014 0.000 1.005 401 T CB 1.702 70.555 68.868 -0.025 0.000 1.157 401 T HN 1.322 nan 8.240 nan 0.000 0.550 402 A N 0.017 122.834 122.820 -0.006 0.000 2.125 402 A HA 0.324 4.644 4.320 -0.000 0.000 0.219 402 A C 2.331 179.881 177.584 -0.057 0.000 1.156 402 A CA 1.428 53.470 52.037 0.009 0.000 0.671 402 A CB -1.317 17.714 19.000 0.052 0.000 0.794 402 A HN 1.206 nan 8.150 nan 0.000 0.459 403 A N -0.520 122.260 122.820 -0.066 0.000 2.132 403 A HA 0.120 4.440 4.320 -0.000 0.000 0.213 403 A C 1.011 178.540 177.584 -0.092 0.000 1.154 403 A CA 0.342 52.322 52.037 -0.096 0.000 0.753 403 A CB -0.263 18.693 19.000 -0.074 0.000 0.826 403 A HN 0.588 nan 8.150 nan 0.000 0.469 404 E N 0.023 120.183 120.200 -0.066 0.000 2.415 404 E HA 0.285 4.635 4.350 -0.000 0.000 0.260 404 E C 1.117 177.680 176.600 -0.061 0.000 1.016 404 E CA 0.572 56.942 56.400 -0.049 0.000 0.924 404 E CB -0.095 29.588 29.700 -0.028 0.000 0.961 404 E HN 0.673 nan 8.360 nan 0.000 0.459 405 G N 2.688 111.459 108.800 -0.048 0.000 2.162 405 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 405 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 405 G C 0.547 175.404 174.900 -0.070 0.000 0.976 405 G CA 0.365 45.439 45.100 -0.043 0.000 0.655 405 G HN 0.473 nan 8.290 nan 0.000 0.533 406 V N -0.746 119.100 119.914 -0.113 0.000 3.054 406 V HA 0.224 4.344 4.120 -0.000 0.000 0.227 406 V C 1.647 177.709 176.094 -0.052 0.000 1.252 406 V CA 0.759 62.963 62.300 -0.161 0.000 1.279 406 V CB 0.425 31.983 31.823 -0.442 0.000 1.118 406 V HN 0.200 nan 8.190 nan 0.000 0.504 407 V N 2.704 122.600 119.914 -0.031 0.000 2.485 407 V HA 0.074 4.194 4.120 -0.000 0.000 0.287 407 V C 0.049 176.183 176.094 0.067 0.000 1.022 407 V CA 0.428 62.767 62.300 0.065 0.000 1.067 407 V CB 0.032 31.894 31.823 0.065 0.000 0.967 407 V HN 0.522 nan 8.190 nan 0.000 0.479 408 E N 4.221 124.485 120.200 0.106 0.000 2.102 408 E HA 0.696 5.046 4.350 -0.000 0.000 0.263 408 E C -0.241 176.351 176.600 -0.013 0.000 0.894 408 E CA -0.216 56.214 56.400 0.049 0.000 0.746 408 E CB 1.665 31.426 29.700 0.102 0.000 1.129 408 E HN 0.818 nan 8.360 nan 0.000 0.416 409 A N 2.970 125.742 122.820 -0.081 0.000 2.587 409 A HA 0.596 4.916 4.320 -0.000 0.000 0.293 409 A C -1.264 176.198 177.584 -0.204 0.000 1.087 409 A CA -0.901 51.027 52.037 -0.182 0.000 0.692 409 A CB 1.623 20.572 19.000 -0.085 0.000 1.291 409 A HN 0.358 nan 8.150 nan 0.000 0.407 410 K N 0.793 121.035 120.400 -0.263 0.000 2.156 410 K HA 0.630 4.950 4.320 -0.000 0.000 0.271 410 K C 0.420 176.921 176.600 -0.165 0.000 0.995 410 K CA 0.377 56.520 56.287 -0.239 0.000 0.890 410 K CB 0.903 33.232 32.500 -0.285 0.000 1.073 410 K HN 0.901 nan 8.250 nan 0.000 0.454 411 T N -0.301 114.170 114.554 -0.138 0.000 2.884 411 T HA 0.807 5.157 4.350 -0.000 0.000 0.277 411 T C 0.159 174.806 174.700 -0.087 0.000 0.976 411 T CA -0.635 61.408 62.100 -0.095 0.000 0.956 411 T CB 1.434 70.251 68.868 -0.084 0.000 1.113 411 T HN 0.636 nan 8.240 nan 0.000 0.554 412 G N 1.021 109.780 108.800 -0.069 0.000 1.824 412 G HA2 0.471 4.431 3.960 -0.000 0.000 0.294 412 G HA3 0.471 4.431 3.960 -0.000 0.000 0.294 412 G C -0.709 174.158 174.900 -0.055 0.000 1.796 412 G CA -0.395 44.667 45.100 -0.064 0.000 0.919 412 G HN 1.093 nan 8.290 nan 0.000 0.595 413 T N -0.265 114.244 114.554 -0.076 0.000 2.916 413 T HA 0.848 5.198 4.350 -0.000 0.000 0.298 413 T C -0.110 174.531 174.700 -0.100 0.000 1.031 413 T CA -0.790 61.274 62.100 -0.060 0.000 0.993 413 T CB 2.268 71.106 68.868 -0.050 0.000 1.045 413 T HN 0.539 nan 8.240 nan 0.000 0.454 414 M N 0.923 120.482 119.600 -0.068 0.000 2.843 414 M HA 0.488 4.968 4.480 -0.000 0.000 0.273 414 M C 0.054 176.334 176.300 -0.033 0.000 1.286 414 M CA -1.090 54.146 55.300 -0.107 0.000 0.807 414 M CB 2.358 34.861 32.600 -0.161 0.000 1.684 414 M HN 0.704 nan 8.290 nan 0.000 0.458 415 S N 0.361 116.049 115.700 -0.020 0.000 2.546 415 S HA 0.279 4.749 4.470 -0.000 0.000 0.290 415 S C 1.092 175.669 174.600 -0.039 0.000 1.262 415 S CA 1.505 59.715 58.200 0.017 0.000 1.083 415 S CB -0.439 62.828 63.200 0.112 0.000 0.859 415 S HN 1.026 nan 8.310 nan 0.000 0.495 416 G N 2.940 111.646 108.800 -0.157 0.000 2.166 416 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 416 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 416 G C 0.006 174.740 174.900 -0.276 0.000 0.986 416 G CA 0.370 45.201 45.100 -0.448 0.000 0.683 416 G HN 1.158 nan 8.290 nan 0.000 0.527 417 V N -0.484 119.448 119.914 0.030 0.000 2.686 417 V HA 0.833 4.953 4.120 -0.000 0.000 0.306 417 V C -0.171 176.025 176.094 0.170 0.000 1.065 417 V CA -0.048 62.336 62.300 0.140 0.000 0.894 417 V CB 2.085 33.922 31.823 0.023 0.000 1.004 417 V HN 0.721 nan 8.190 nan 0.000 0.424 418 S N 2.583 118.372 115.700 0.147 0.000 2.543 418 S HA 0.912 5.382 4.470 -0.000 0.000 0.271 418 S C -1.005 173.599 174.600 0.007 0.000 1.148 418 S CA 0.298 58.516 58.200 0.031 0.000 0.914 418 S CB 1.745 64.915 63.200 -0.051 0.000 1.096 418 S HN 1.526 nan 8.310 nan 0.000 0.471 419 A N 2.550 125.365 122.820 -0.008 0.000 2.572 419 A HA 0.902 5.222 4.320 -0.000 0.000 0.295 419 A C -1.961 175.615 177.584 -0.012 0.000 1.072 419 A CA -0.600 51.436 52.037 -0.002 0.000 0.691 419 A CB 1.771 20.775 19.000 0.006 0.000 1.291 419 A HN 1.167 nan 8.150 nan 0.000 0.404 420 L N 0.911 122.142 121.223 0.012 0.000 2.528 420 L HA 0.734 5.074 4.340 -0.000 0.000 0.267 420 L C -1.039 175.818 176.870 -0.021 0.000 0.961 420 L CA 0.354 55.211 54.840 0.029 0.000 0.866 420 L CB 1.981 44.114 42.059 0.123 0.000 1.248 420 L HN 0.641 nan 8.230 nan 0.000 0.404 421 S N 2.690 118.223 115.700 -0.278 0.000 2.547 421 S HA 1.019 5.489 4.470 -0.000 0.000 0.281 421 S C -0.201 173.874 174.600 -0.874 0.000 1.118 421 S CA -0.099 57.703 58.200 -0.664 0.000 0.947 421 S CB 1.853 64.822 63.200 -0.384 0.000 1.053 421 S HN 1.126 nan 8.310 nan 0.000 0.482 422 G N 1.166 109.108 108.800 -1.429 0.000 2.393 422 G HA2 0.490 4.450 3.960 -0.000 0.000 0.264 422 G HA3 0.490 4.450 3.960 -0.000 0.000 0.264 422 G C -2.417 171.948 174.900 -0.891 0.000 1.221 422 G CA -0.530 43.972 45.100 -0.998 0.000 0.912 422 G HN 0.476 nan 8.290 nan 0.000 0.483 423 Y N -1.170 119.085 120.300 -0.075 0.000 2.549 423 Y HA 0.677 5.227 4.550 -0.000 0.000 0.339 423 Y C -0.002 176.027 175.900 0.215 0.000 1.053 423 Y CA -0.960 57.202 58.100 0.104 0.000 1.105 423 Y CB 2.702 41.207 38.460 0.074 0.000 1.258 423 Y HN 0.297 nan 8.280 nan 0.000 0.478 424 V N 3.768 123.916 119.914 0.391 0.000 2.439 424 V HA 0.325 4.445 4.120 -0.000 0.000 0.277 424 V C -2.539 173.695 176.094 0.233 0.000 1.008 424 V CA -1.693 60.767 62.300 0.267 0.000 0.846 424 V CB 1.030 32.988 31.823 0.225 0.000 1.031 424 V HN 0.538 nan 8.190 nan 0.000 0.441 425 P HA 0.682 nan 4.420 nan 0.000 0.279 425 P C 0.022 177.506 177.300 0.306 0.000 1.252 425 P CA 0.069 63.282 63.100 0.187 0.000 0.811 425 P CB 2.371 34.148 31.700 0.129 0.000 1.035 426 G N 0.469 109.392 108.800 0.206 0.000 2.355 426 G HA2 0.260 4.220 3.960 -0.000 0.000 0.296 426 G HA3 0.260 4.220 3.960 -0.000 0.000 0.296 426 G C -2.781 172.099 174.900 -0.033 0.000 1.507 426 G CA -0.764 44.398 45.100 0.104 0.000 0.823 426 G HN 0.084 nan 8.290 nan 0.000 0.569 427 P HA -0.033 nan 4.420 nan 0.000 0.220 427 P C 1.250 178.500 177.300 -0.083 0.000 1.144 427 P CA 1.015 64.056 63.100 -0.099 0.000 0.800 427 P CB 0.409 32.028 31.700 -0.135 0.000 0.772 428 E N -0.985 119.156 120.200 -0.098 0.000 2.474 428 E HA 0.236 4.586 4.350 -0.000 0.000 0.194 428 E C 0.963 177.536 176.600 -0.045 0.000 1.041 428 E CA 0.421 56.761 56.400 -0.100 0.000 0.874 428 E CB 0.071 29.664 29.700 -0.179 0.000 0.914 428 E HN 0.148 nan 8.360 nan 0.000 0.498 429 G N 1.971 110.770 108.800 -0.002 0.000 2.841 429 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.684 429 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.684 429 G C -0.832 174.122 174.900 0.090 0.000 1.273 429 G CA -0.639 44.485 45.100 0.040 0.000 0.811 429 G HN 0.074 nan 8.290 nan 0.000 0.631 430 E N 0.528 120.787 120.200 0.099 0.000 2.373 430 E HA 0.539 4.889 4.350 -0.000 0.000 0.267 430 E C 0.238 176.948 176.600 0.182 0.000 1.032 430 E CA -0.380 56.105 56.400 0.142 0.000 0.889 430 E CB 0.482 30.248 29.700 0.109 0.000 0.984 430 E HN 0.504 nan 8.360 nan 0.000 0.425 431 L N 2.336 123.702 121.223 0.238 0.000 2.323 431 L HA 0.767 5.107 4.340 -0.000 0.000 0.265 431 L C -0.587 176.478 176.870 0.325 0.000 1.012 431 L CA -1.152 53.842 54.840 0.257 0.000 0.820 431 L CB 1.997 44.205 42.059 0.248 0.000 1.334 431 L HN 0.612 nan 8.230 nan 0.000 0.427 432 A N 1.720 124.702 122.820 0.270 0.000 2.371 432 A HA 0.904 5.224 4.320 -0.000 0.000 0.311 432 A C -1.182 176.506 177.584 0.173 0.000 1.068 432 A CA -0.359 51.773 52.037 0.158 0.000 0.744 432 A CB 1.333 20.407 19.000 0.122 0.000 1.239 432 A HN 0.608 nan 8.150 nan 0.000 0.435 433 F N -0.084 119.827 119.950 -0.066 0.000 2.662 433 F HA 0.862 5.389 4.527 -0.000 0.000 0.312 433 F C -0.590 175.169 175.800 -0.068 0.000 1.113 433 F CA -0.791 57.181 58.000 -0.046 0.000 0.951 433 F CB 1.547 40.522 39.000 -0.042 0.000 1.344 433 F HN 0.585 nan 8.300 nan 0.000 0.462 434 S N 2.102 117.860 115.700 0.097 0.000 2.614 434 S HA 0.767 5.237 4.470 -0.000 0.000 0.275 434 S C -1.594 173.094 174.600 0.147 0.000 1.161 434 S CA -0.487 57.716 58.200 0.005 0.000 0.969 434 S CB 0.853 64.041 63.200 -0.020 0.000 1.059 434 S HN 0.696 nan 8.310 nan 0.000 0.482 435 I N 4.525 125.181 120.570 0.144 0.000 2.410 435 I HA 0.512 4.682 4.170 -0.000 0.000 0.286 435 I C -1.066 175.088 176.117 0.062 0.000 1.009 435 I CA -0.814 60.553 61.300 0.111 0.000 1.111 435 I CB 2.044 40.114 38.000 0.116 0.000 1.262 435 I HN 0.344 nan 8.210 nan 0.000 0.443 436 V N 6.002 125.949 119.914 0.055 0.000 2.443 436 V HA 0.412 4.532 4.120 -0.000 0.000 0.293 436 V C -0.520 175.604 176.094 0.051 0.000 1.021 436 V CA -0.763 61.566 62.300 0.049 0.000 0.848 436 V CB 1.699 33.556 31.823 0.056 0.000 0.998 436 V HN 0.645 nan 8.190 nan 0.000 0.424 437 N N 4.316 123.046 118.700 0.049 0.000 2.408 437 N HA 0.500 5.240 4.740 -0.000 0.000 0.280 437 N C -0.975 174.640 175.510 0.174 0.000 1.002 437 N CA -0.381 52.715 53.050 0.077 0.000 0.907 437 N CB 2.216 40.688 38.487 -0.025 0.000 1.161 437 N HN 0.685 nan 8.380 nan 0.000 0.488 438 N N -0.297 118.506 118.700 0.170 0.000 2.225 438 N HA 0.415 5.155 4.740 -0.000 0.000 0.298 438 N C 0.406 175.976 175.510 0.099 0.000 1.076 438 N CA -0.408 52.717 53.050 0.124 0.000 0.792 438 N CB 2.443 40.966 38.487 0.060 0.000 1.498 438 N HN 0.671 nan 8.380 nan 0.000 0.474 439 G N 0.737 109.519 108.800 -0.031 0.000 2.217 439 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.246 439 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.246 439 G C 0.055 174.913 174.900 -0.070 0.000 0.990 439 G CA 0.169 45.239 45.100 -0.050 0.000 0.627 439 G HN 0.845 nan 8.290 nan 0.000 0.522 440 H N 1.007 120.082 119.070 0.008 0.000 2.852 440 H HA 0.550 5.106 4.556 -0.000 0.000 0.362 440 H C 1.457 176.789 175.328 0.006 0.000 1.122 440 H CA 0.699 56.750 56.048 0.005 0.000 1.419 440 H CB 0.817 30.579 29.762 0.001 0.000 1.401 440 H HN 0.465 nan 8.280 nan 0.000 0.609 441 S N 1.063 116.785 115.700 0.037 0.000 2.497 441 S HA 0.198 4.668 4.470 -0.000 0.000 0.221 441 S C 1.284 175.902 174.600 0.030 0.000 1.037 441 S CA -0.065 58.129 58.200 -0.009 0.000 0.920 441 S CB 0.101 63.303 63.200 0.003 0.000 0.800 441 S HN 0.859 nan 8.310 nan 0.000 0.505 442 G N 2.710 111.566 108.800 0.093 0.000 2.630 442 G HA2 0.563 4.523 3.960 -0.000 0.000 0.223 442 G HA3 0.563 4.523 3.960 -0.000 0.000 0.223 442 G C -2.515 172.466 174.900 0.134 0.000 1.434 442 G CA -1.388 43.762 45.100 0.083 0.000 1.057 442 G HN 0.341 nan 8.290 nan 0.000 0.570 443 P HA 0.332 nan 4.420 nan 0.000 0.272 443 P C -0.070 177.281 177.300 0.086 0.000 1.230 443 P CA -0.038 63.108 63.100 0.077 0.000 0.788 443 P CB 0.603 32.318 31.700 0.025 0.000 0.949 444 A N 3.470 126.325 122.820 0.058 0.000 2.587 444 A HA 0.115 4.435 4.320 -0.000 0.000 0.235 444 A C -1.471 176.007 177.584 -0.178 0.000 1.044 444 A CA -0.645 51.339 52.037 -0.088 0.000 0.754 444 A CB -1.257 17.719 19.000 -0.039 0.000 0.968 444 A HN 0.455 nan 8.150 nan 0.000 0.509 445 P HA 0.127 nan 4.420 nan 0.000 0.226 445 P C 0.675 177.892 177.300 -0.139 0.000 1.783 445 P CA -0.032 62.944 63.100 -0.207 0.000 0.980 445 P CB -0.072 31.476 31.700 -0.253 0.000 1.967 446 L N 0.574 121.736 121.223 -0.103 0.000 2.083 446 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 446 L C 2.590 179.420 176.870 -0.067 0.000 1.083 446 L CA 1.657 56.452 54.840 -0.075 0.000 0.752 446 L CB -1.141 40.884 42.059 -0.057 0.000 0.899 446 L HN 0.120 nan 8.230 nan 0.000 0.433 447 A N -0.136 122.646 122.820 -0.063 0.000 1.972 447 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 447 A C 2.370 179.914 177.584 -0.067 0.000 1.169 447 A CA 1.624 53.627 52.037 -0.057 0.000 0.635 447 A CB -0.699 18.273 19.000 -0.047 0.000 0.810 447 A HN 0.199 nan 8.150 nan 0.000 0.446 448 V N -0.188 119.681 119.914 -0.076 0.000 2.307 448 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 448 V C 2.638 178.675 176.094 -0.094 0.000 1.045 448 V CA 2.229 64.479 62.300 -0.082 0.000 1.024 448 V CB -0.886 30.886 31.823 -0.085 0.000 0.651 448 V HN 0.650 nan 8.190 nan 0.000 0.449 449 Q N -0.340 119.409 119.800 -0.086 0.000 2.050 449 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 449 Q C 2.082 178.023 176.000 -0.098 0.000 0.980 449 Q CA 1.868 57.624 55.803 -0.079 0.000 0.840 449 Q CB -0.289 28.422 28.738 -0.046 0.000 0.898 449 Q HN 0.608 nan 8.270 nan 0.000 0.424 450 D N 0.473 120.824 120.400 -0.081 0.000 2.117 450 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 450 D C 1.788 178.026 176.300 -0.103 0.000 0.987 450 D CA 1.366 55.317 54.000 -0.082 0.000 0.829 450 D CB -0.255 40.509 40.800 -0.060 0.000 0.961 450 D HN 0.277 nan 8.370 nan 0.000 0.460 451 A N 0.614 123.375 122.820 -0.098 0.000 1.933 451 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 451 A C 2.373 179.874 177.584 -0.139 0.000 1.175 451 A CA 0.924 52.901 52.037 -0.100 0.000 0.628 451 A CB -0.656 18.292 19.000 -0.086 0.000 0.814 451 A HN 0.198 nan 8.150 nan 0.000 0.444 452 I N -0.453 120.010 120.570 -0.178 0.000 2.202 452 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 452 I C 2.971 178.895 176.117 -0.322 0.000 1.091 452 I CA 0.958 62.107 61.300 -0.252 0.000 1.368 452 I CB -0.333 37.499 38.000 -0.279 0.000 1.058 452 I HN 0.339 nan 8.210 nan 0.000 0.410 453 A N 0.424 123.035 122.820 -0.348 0.000 1.908 453 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 453 A C 2.427 179.872 177.584 -0.233 0.000 1.181 453 A CA 1.784 53.574 52.037 -0.412 0.000 0.627 453 A CB -0.954 17.874 19.000 -0.288 0.000 0.818 453 A HN 0.246 nan 8.150 nan 0.000 0.445 454 V N -0.064 119.758 119.914 -0.154 0.000 2.358 454 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 454 V C 2.660 178.711 176.094 -0.071 0.000 1.047 454 V CA 2.311 64.557 62.300 -0.091 0.000 1.035 454 V CB -0.795 30.987 31.823 -0.068 0.000 0.658 454 V HN 0.639 nan 8.190 nan 0.000 0.452 455 R N 0.411 120.853 120.500 -0.097 0.000 2.105 455 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 455 R C 2.023 178.300 176.300 -0.038 0.000 1.135 455 R CA 1.740 57.799 56.100 -0.068 0.000 0.967 455 R CB -0.723 29.510 30.300 -0.111 0.000 0.861 455 R HN 0.495 nan 8.270 nan 0.000 0.442 456 L N -0.490 120.669 121.223 -0.107 0.000 2.056 456 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 456 L C 2.469 179.383 176.870 0.073 0.000 1.078 456 L CA 1.231 56.038 54.840 -0.055 0.000 0.749 456 L CB -0.704 41.228 42.059 -0.211 0.000 0.901 456 L HN 0.320 nan 8.230 nan 0.000 0.433 457 A N 0.230 123.067 122.820 0.029 0.000 1.902 457 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 457 A C 2.141 179.844 177.584 0.199 0.000 1.181 457 A CA 1.675 53.777 52.037 0.108 0.000 0.623 457 A CB -0.412 18.585 19.000 -0.005 0.000 0.818 457 A HN 0.469 nan 8.150 nan 0.000 0.443 458 E N -1.810 118.465 120.200 0.125 0.000 2.106 458 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 458 E C 1.861 178.535 176.600 0.124 0.000 0.984 458 E CA 1.369 57.837 56.400 0.114 0.000 0.806 458 E CB -0.306 29.438 29.700 0.074 0.000 0.750 458 E HN 0.780 nan 8.360 nan 0.000 0.458 459 Y N 1.182 121.493 120.300 0.020 0.000 2.242 459 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 459 Y C 2.146 178.062 175.900 0.026 0.000 1.137 459 Y CA 1.200 59.309 58.100 0.015 0.000 1.181 459 Y CB -0.144 38.322 38.460 0.009 0.000 0.989 459 Y HN -0.025 nan 8.280 nan 0.000 0.527 460 A N -0.597 122.314 122.820 0.152 0.000 2.239 460 A HA 0.275 4.595 4.320 -0.000 0.000 0.209 460 A C 1.770 179.310 177.584 -0.074 0.000 1.171 460 A CA 1.033 53.120 52.037 0.083 0.000 0.768 460 A CB -1.269 17.870 19.000 0.232 0.000 0.790 460 A HN 0.923 nan 8.150 nan 0.000 0.478 461 G N -1.585 107.152 108.800 -0.104 0.000 2.135 461 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.183 461 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.183 461 G C -0.126 174.595 174.900 -0.298 0.000 1.004 461 G CA 0.034 45.010 45.100 -0.206 0.000 0.677 461 G HN 0.648 nan 8.290 nan 0.000 0.512 462 H N 0.316 119.384 119.070 -0.003 0.000 2.567 462 H HA 0.603 5.159 4.556 -0.000 0.000 0.345 462 H C 0.441 175.769 175.328 -0.000 0.000 1.169 462 H CA 0.307 56.356 56.048 0.002 0.000 1.227 462 H CB 1.567 31.335 29.762 0.009 0.000 1.607 462 H HN 0.657 nan 8.280 nan 0.000 0.534 463 Q N 0.436 120.313 119.800 0.128 0.000 2.433 463 Q HA 0.730 5.070 4.340 -0.000 0.000 0.279 463 Q C -1.265 174.773 176.000 0.063 0.000 1.105 463 Q CA -1.432 54.411 55.803 0.068 0.000 0.815 463 Q CB 2.413 31.173 28.738 0.036 0.000 1.403 463 Q HN 0.592 nan 8.270 nan 0.000 0.435 464 A N 2.333 125.175 122.820 0.037 0.000 2.354 464 A HA 0.561 4.881 4.320 -0.000 0.000 0.269 464 A C -2.026 175.570 177.584 0.020 0.000 1.109 464 A CA -1.246 50.805 52.037 0.023 0.000 0.800 464 A CB -0.235 18.772 19.000 0.011 0.000 1.045 464 A HN 0.696 nan 8.150 nan 0.000 0.489 465 P HA 0.305 nan 4.420 nan 0.000 0.272 465 P C -0.574 176.732 177.300 0.010 0.000 1.240 465 P CA 0.028 63.137 63.100 0.014 0.000 0.791 465 P CB 0.841 32.548 31.700 0.012 0.000 0.978 466 E N -0.904 119.301 120.200 0.009 0.000 2.393 466 E HA 0.772 5.122 4.350 -0.000 0.000 0.265 466 E C -0.308 176.295 176.600 0.006 0.000 0.941 466 E CA -1.049 55.355 56.400 0.006 0.000 0.801 466 E CB 2.005 31.709 29.700 0.006 0.000 1.313 466 E HN 0.702 nan 8.360 nan 0.000 0.435 467 G N 0.000 108.803 108.800 0.004 0.000 5.446 467 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 467 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925