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 2vu0_1_D DATA FIRST_RESID 3 DATA SEQUENCE PSIVIASAAR TAVGSFNGAF ANTPAHELGA TVISAVLERA GVAAGEVNEV DATA SEQUENCE ILGQVLPAGE GQNPARQAAM KAGVPQEATA WGMNQLXGSG LRAVALGMQQ DATA SEQUENCE IATGDASIIV AGGMESMSMA PHCAHLRGGV KMGDFKMIDT MIKDGLTDAF DATA SEQUENCE YGYHMGTTAE NVAKQWQLSR DEQDAFAVAS QNKAEAAQKD GRFKDEIVPF DATA SEQUENCE IVKGRKGDIT VDADEYIRHG ATLDSMAKLR PAFDKEGTVT AGNASGLNDG DATA SEQUENCE AAAALLMSEA EASRRGIQPL GRIVSWATVG VDPKVMGTGP IPASRKALER DATA SEQUENCE AGWKIGDLDL VEANEAFAAQ ACAVNKDLGW DPSIVNVNGG AIAIGHPIGA DATA SEQUENCE SGARILNTLL FEMKRRGARK GLATLCIGGG MGVAMCIESL 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.319 177.300 0.031 0.000 1.155 3 P CA 0.000 63.117 63.100 0.029 0.000 0.800 3 P CB 0.000 31.719 31.700 0.032 0.000 0.726 4 S N 2.094 117.812 115.700 0.029 0.000 2.566 4 S HA 0.700 5.170 4.470 -0.000 0.000 0.324 4 S C -0.566 174.051 174.600 0.029 0.000 1.081 4 S CA -0.487 57.731 58.200 0.031 0.000 1.105 4 S CB -0.028 63.191 63.200 0.031 0.000 0.981 4 S HN 0.294 nan 8.310 nan 0.000 0.464 5 I N 5.655 126.243 120.570 0.030 0.000 2.354 5 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 5 I C 0.036 176.167 176.117 0.023 0.000 0.989 5 I CA -0.544 60.770 61.300 0.024 0.000 1.188 5 I CB 1.776 39.788 38.000 0.021 0.000 1.342 5 I HN 0.514 nan 8.210 nan 0.000 0.457 6 V N 4.831 124.757 119.914 0.019 0.000 2.881 6 V HA 0.640 4.760 4.120 -0.000 0.000 0.316 6 V C -0.100 176.002 176.094 0.013 0.000 1.070 6 V CA -0.818 61.493 62.300 0.018 0.000 0.976 6 V CB 1.871 33.704 31.823 0.016 0.000 1.038 6 V HN 0.475 nan 8.190 nan 0.000 0.446 7 I N 3.176 123.754 120.570 0.013 0.000 2.301 7 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 7 I C 1.389 177.509 176.117 0.005 0.000 1.046 7 I CA 0.068 61.376 61.300 0.012 0.000 1.282 7 I CB 1.324 39.336 38.000 0.020 0.000 1.409 7 I HN 0.910 nan 8.210 nan 0.000 0.484 8 A N 5.040 127.865 122.820 0.008 0.000 1.898 8 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 8 A C 0.997 178.584 177.584 0.005 0.000 1.183 8 A CA 1.283 53.322 52.037 0.004 0.000 0.622 8 A CB -0.039 18.966 19.000 0.009 0.000 0.824 8 A HN 0.717 nan 8.150 nan 0.000 0.444 9 S N -3.312 112.405 115.700 0.028 0.000 2.596 9 S HA 0.764 5.234 4.470 -0.000 0.000 0.270 9 S C -0.772 173.893 174.600 0.109 0.000 1.155 9 S CA -0.117 58.120 58.200 0.063 0.000 0.827 9 S CB 1.333 64.572 63.200 0.066 0.000 1.130 9 S HN 1.645 nan 8.310 nan 0.000 0.467 10 A N 0.170 123.121 122.820 0.218 0.000 2.549 10 A HA 1.011 5.331 4.320 -0.000 0.000 0.297 10 A C -0.620 177.081 177.584 0.196 0.000 1.061 10 A CA -0.418 51.759 52.037 0.234 0.000 0.690 10 A CB 1.186 20.390 19.000 0.341 0.000 1.287 10 A HN 2.231 nan 8.150 nan 0.000 0.402 11 A N 1.179 124.034 122.820 0.058 0.000 2.587 11 A HA 0.951 5.271 4.320 -0.000 0.000 0.293 11 A C -0.606 176.947 177.584 -0.052 0.000 1.087 11 A CA -0.494 51.524 52.037 -0.031 0.000 0.692 11 A CB 1.399 20.400 19.000 0.001 0.000 1.291 11 A HN 1.720 nan 8.150 nan 0.000 0.407 12 R N -0.347 120.104 120.500 -0.082 0.000 2.740 12 R HA 0.756 5.096 4.340 -0.000 0.000 0.273 12 R C -0.267 176.004 176.300 -0.049 0.000 0.998 12 R CA -0.083 55.978 56.100 -0.065 0.000 0.900 12 R CB 1.190 31.448 30.300 -0.069 0.000 1.223 12 R HN 0.847 nan 8.270 nan 0.000 0.466 13 T N -0.455 114.067 114.554 -0.054 0.000 2.813 13 T HA 0.471 4.821 4.350 -0.000 0.000 0.297 13 T C 0.835 175.555 174.700 0.034 0.000 1.036 13 T CA -0.291 61.798 62.100 -0.018 0.000 1.044 13 T CB 0.885 69.655 68.868 -0.164 0.000 0.993 13 T HN 0.775 nan 8.240 nan 0.000 0.535 14 A N 1.435 124.327 122.820 0.120 0.000 2.507 14 A HA 0.482 4.802 4.320 -0.000 0.000 0.235 14 A C 0.343 178.024 177.584 0.161 0.000 1.070 14 A CA -0.664 51.428 52.037 0.092 0.000 0.768 14 A CB -0.188 18.871 19.000 0.097 0.000 1.011 14 A HN 0.884 nan 8.150 nan 0.000 0.502 15 V N 1.818 121.756 119.914 0.039 0.000 2.432 15 V HA 0.517 4.637 4.120 -0.000 0.000 0.275 15 V C 1.106 177.191 176.094 -0.015 0.000 1.043 15 V CA 0.101 62.431 62.300 0.049 0.000 0.925 15 V CB 0.908 32.718 31.823 -0.021 0.000 0.985 15 V HN 1.120 nan 8.190 nan 0.000 0.466 16 G N 3.167 111.950 108.800 -0.029 0.000 2.451 16 G HA2 0.474 4.434 3.960 -0.000 0.000 0.303 16 G HA3 0.474 4.434 3.960 -0.000 0.000 0.303 16 G C -0.077 174.768 174.900 -0.092 0.000 1.166 16 G CA -0.351 44.605 45.100 -0.241 0.000 0.884 16 G HN 0.653 nan 8.290 nan 0.000 0.514 17 S N -0.271 115.393 115.700 -0.060 0.000 2.617 17 S HA 0.313 4.783 4.470 -0.000 0.000 0.269 17 S C -0.141 174.503 174.600 0.074 0.000 1.292 17 S CA -0.438 57.789 58.200 0.045 0.000 1.010 17 S CB 0.887 64.181 63.200 0.157 0.000 0.944 17 S HN 0.419 nan 8.310 nan 0.000 0.536 18 F N 3.177 123.087 119.950 -0.067 0.000 2.607 18 F HA 0.016 4.543 4.527 -0.000 0.000 0.374 18 F C 1.199 176.993 175.800 -0.010 0.000 1.104 18 F CA -0.147 57.830 58.000 -0.038 0.000 1.296 18 F CB -0.451 38.535 39.000 -0.023 0.000 1.085 18 F HN 0.641 nan 8.300 nan 0.000 0.584 19 N N 2.288 120.713 118.700 -0.459 0.000 2.678 19 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 19 N C 0.352 175.766 175.510 -0.160 0.000 1.119 19 N CA 1.001 53.831 53.050 -0.368 0.000 0.718 19 N CB -1.348 36.862 38.487 -0.462 0.000 1.060 19 N HN 0.824 nan 8.380 nan 0.000 0.552 20 G N -0.498 108.238 108.800 -0.106 0.000 3.392 20 G HA2 0.583 4.543 3.960 -0.000 0.000 0.188 20 G HA3 0.583 4.543 3.960 -0.000 0.000 0.188 20 G C 1.142 175.961 174.900 -0.136 0.000 1.485 20 G CA 0.448 45.490 45.100 -0.097 0.000 0.943 20 G HN 0.267 nan 8.290 nan 0.000 0.627 21 A N -0.467 122.203 122.820 -0.250 0.000 1.927 21 A HA 0.012 4.332 4.320 -0.000 0.000 0.220 21 A C 1.655 179.107 177.584 -0.219 0.000 1.185 21 A CA 1.765 53.590 52.037 -0.353 0.000 0.639 21 A CB -0.568 18.021 19.000 -0.685 0.000 0.820 21 A HN 0.372 nan 8.150 nan 0.000 0.451 22 F N -0.783 119.145 119.950 -0.037 0.000 2.668 22 F HA 0.496 5.023 4.527 -0.000 0.000 0.297 22 F C 2.044 177.804 175.800 -0.066 0.000 1.124 22 F CA -0.806 57.154 58.000 -0.068 0.000 1.353 22 F CB -1.015 37.897 39.000 -0.148 0.000 0.992 22 F HN 0.231 nan 8.300 nan 0.000 0.524 23 A N 0.585 123.438 122.820 0.054 0.000 1.958 23 A HA -0.230 4.089 4.320 -0.000 0.000 0.221 23 A C 1.811 179.393 177.584 -0.003 0.000 1.178 23 A CA 1.994 54.018 52.037 -0.023 0.000 0.642 23 A CB -0.426 18.531 19.000 -0.071 0.000 0.816 23 A HN 0.398 nan 8.150 nan 0.000 0.453 24 N N -0.618 118.102 118.700 0.033 0.000 2.291 24 N HA 0.077 4.817 4.740 -0.000 0.000 0.244 24 N C -0.920 174.612 175.510 0.038 0.000 1.216 24 N CA 0.115 53.181 53.050 0.027 0.000 0.879 24 N CB 0.814 39.314 38.487 0.021 0.000 1.167 24 N HN 0.226 nan 8.380 nan 0.000 0.515 25 T N 2.682 117.261 114.554 0.041 0.000 2.753 25 T HA 0.310 4.660 4.350 -0.000 0.000 0.297 25 T C -2.480 172.162 174.700 -0.096 0.000 0.981 25 T CA -1.307 60.782 62.100 -0.018 0.000 0.956 25 T CB 1.794 70.622 68.868 -0.067 0.000 0.936 25 T HN -0.033 nan 8.240 nan 0.000 0.463 26 P HA 0.098 nan 4.420 nan 0.000 0.265 26 P C 0.748 177.922 177.300 -0.210 0.000 1.187 26 P CA -0.094 62.936 63.100 -0.117 0.000 0.766 26 P CB 0.464 32.083 31.700 -0.136 0.000 0.820 27 A N 3.870 126.623 122.820 -0.111 0.000 1.903 27 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 27 A C 1.953 179.439 177.584 -0.162 0.000 1.191 27 A CA 2.078 54.035 52.037 -0.134 0.000 0.638 27 A CB -1.749 17.221 19.000 -0.051 0.000 0.823 27 A HN 0.815 nan 8.150 nan 0.000 0.451 28 H N -0.978 118.046 119.070 -0.078 0.000 2.491 28 H HA 0.037 4.593 4.556 -0.000 0.000 0.290 28 H C 1.463 176.766 175.328 -0.042 0.000 1.050 28 H CA 1.319 57.332 56.048 -0.057 0.000 1.309 28 H CB -0.309 29.434 29.762 -0.031 0.000 1.392 28 H HN 0.660 nan 8.280 nan 0.000 0.554 29 E N 0.924 120.772 120.200 -0.588 0.000 2.107 29 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 29 E C 2.499 179.038 176.600 -0.102 0.000 0.982 29 E CA 0.685 56.929 56.400 -0.259 0.000 0.809 29 E CB 0.171 29.741 29.700 -0.216 0.000 0.756 29 E HN 0.407 nan 8.360 nan 0.000 0.459 30 L N 0.414 121.401 121.223 -0.392 0.000 2.093 30 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 30 L C 2.547 179.275 176.870 -0.236 0.000 1.085 30 L CA 1.132 55.644 54.840 -0.546 0.000 0.755 30 L CB -0.651 40.978 42.059 -0.717 0.000 0.904 30 L HN 0.212 nan 8.230 nan 0.000 0.435 31 G N -0.144 108.563 108.800 -0.156 0.000 2.433 31 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 31 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 31 G C 1.805 176.689 174.900 -0.027 0.000 1.186 31 G CA 0.834 45.889 45.100 -0.076 0.000 0.779 31 G HN 0.442 nan 8.290 nan 0.000 0.543 32 A N 0.134 122.959 122.820 0.009 0.000 1.917 32 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 32 A C 2.515 180.122 177.584 0.039 0.000 1.182 32 A CA 2.633 54.691 52.037 0.036 0.000 0.633 32 A CB -1.062 17.976 19.000 0.064 0.000 0.819 32 A HN 0.325 nan 8.150 nan 0.000 0.448 33 T N -0.835 113.761 114.554 0.070 0.000 2.746 33 T HA -0.094 4.255 4.350 -0.000 0.000 0.267 33 T C 1.838 176.564 174.700 0.044 0.000 1.039 33 T CA 1.440 63.594 62.100 0.089 0.000 1.142 33 T CB -0.320 68.696 68.868 0.246 0.000 0.866 33 T HN 0.149 nan 8.240 nan 0.000 0.444 34 V N 1.086 121.008 119.914 0.013 0.000 2.358 34 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 34 V C 2.300 178.393 176.094 -0.002 0.000 1.047 34 V CA 1.305 63.601 62.300 -0.007 0.000 1.035 34 V CB -0.451 31.348 31.823 -0.040 0.000 0.658 34 V HN 0.478 nan 8.190 nan 0.000 0.452 35 I N -0.360 120.208 120.570 -0.004 0.000 2.127 35 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 35 I C 2.569 178.691 176.117 0.008 0.000 1.075 35 I CA 1.819 63.117 61.300 -0.002 0.000 1.334 35 I CB -0.496 37.501 38.000 -0.004 0.000 1.040 35 I HN 0.232 nan 8.210 nan 0.000 0.405 36 S N 0.639 116.347 115.700 0.013 0.000 2.383 36 S HA -0.191 4.278 4.470 -0.000 0.000 0.229 36 S C 2.209 176.819 174.600 0.018 0.000 1.030 36 S CA 1.377 59.586 58.200 0.014 0.000 1.002 36 S CB -0.399 62.809 63.200 0.013 0.000 0.829 36 S HN 0.559 nan 8.310 nan 0.000 0.467 37 A N 1.451 124.284 122.820 0.021 0.000 1.930 37 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 37 A C 2.453 180.059 177.584 0.037 0.000 1.175 37 A CA 1.587 53.641 52.037 0.028 0.000 0.627 37 A CB -1.021 17.995 19.000 0.026 0.000 0.815 37 A HN 0.525 nan 8.150 nan 0.000 0.443 38 V N -2.108 117.826 119.914 0.033 0.000 2.343 38 V HA -0.200 3.919 4.120 -0.000 0.000 0.247 38 V C 2.190 178.305 176.094 0.034 0.000 1.051 38 V CA 1.817 64.141 62.300 0.041 0.000 1.036 38 V CB -1.120 30.722 31.823 0.031 0.000 0.654 38 V HN 0.246 nan 8.190 nan 0.000 0.451 39 L N 0.824 122.061 121.223 0.024 0.000 1.970 39 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 39 L C 2.795 179.679 176.870 0.022 0.000 1.071 39 L CA 2.478 57.330 54.840 0.020 0.000 0.751 39 L CB -1.586 40.482 42.059 0.015 0.000 0.889 39 L HN 0.581 nan 8.230 nan 0.000 0.432 40 E N -0.359 119.855 120.200 0.023 0.000 2.086 40 E HA -0.277 4.073 4.350 -0.000 0.000 0.200 40 E C 2.348 178.967 176.600 0.031 0.000 1.012 40 E CA 1.621 58.035 56.400 0.024 0.000 0.812 40 E CB 0.005 29.720 29.700 0.024 0.000 0.743 40 E HN 0.370 nan 8.360 nan 0.000 0.453 41 R N -0.515 120.010 120.500 0.043 0.000 2.115 41 R HA -0.042 4.298 4.340 -0.000 0.000 0.230 41 R C 2.199 178.524 176.300 0.042 0.000 1.111 41 R CA 1.024 57.157 56.100 0.055 0.000 0.976 41 R CB -0.077 30.277 30.300 0.090 0.000 0.870 41 R HN 0.159 nan 8.270 nan 0.000 0.445 42 A N -0.136 122.705 122.820 0.034 0.000 2.081 42 A HA 0.213 4.533 4.320 -0.000 0.000 0.214 42 A C 1.383 178.978 177.584 0.018 0.000 1.158 42 A CA 0.751 52.802 52.037 0.023 0.000 0.724 42 A CB 0.023 19.036 19.000 0.022 0.000 0.826 42 A HN 0.394 nan 8.150 nan 0.000 0.463 43 G N -0.989 107.822 108.800 0.019 0.000 2.212 43 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.255 43 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.255 43 G C -0.118 174.790 174.900 0.013 0.000 1.062 43 G CA 0.166 45.275 45.100 0.015 0.000 0.815 43 G HN 0.895 nan 8.290 nan 0.000 0.497 44 V N 0.230 120.152 119.914 0.013 0.000 2.459 44 V HA 0.821 4.941 4.120 -0.000 0.000 0.295 44 V C 0.846 176.947 176.094 0.011 0.000 1.029 44 V CA -0.478 61.829 62.300 0.012 0.000 0.874 44 V CB 1.656 33.486 31.823 0.012 0.000 0.985 44 V HN 1.178 nan 8.190 nan 0.000 0.438 45 A N 3.396 126.222 122.820 0.010 0.000 2.407 45 A HA 0.633 4.953 4.320 -0.000 0.000 0.248 45 A C 1.509 179.099 177.584 0.009 0.000 1.082 45 A CA 0.366 52.409 52.037 0.009 0.000 0.785 45 A CB 0.579 19.584 19.000 0.008 0.000 1.020 45 A HN 1.375 nan 8.150 nan 0.000 0.489 46 A N 2.292 125.117 122.820 0.009 0.000 1.978 46 A HA 0.041 4.361 4.320 -0.000 0.000 0.220 46 A C 2.167 179.757 177.584 0.009 0.000 1.170 46 A CA 2.175 54.217 52.037 0.009 0.000 0.636 46 A CB -1.134 17.871 19.000 0.009 0.000 0.810 46 A HN 1.471 nan 8.150 nan 0.000 0.448 47 G N -0.492 108.314 108.800 0.009 0.000 2.479 47 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 47 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 47 G C 1.265 176.171 174.900 0.010 0.000 1.115 47 G CA 0.913 46.019 45.100 0.009 0.000 0.757 47 G HN 0.714 nan 8.290 nan 0.000 0.560 48 E N -0.346 119.860 120.200 0.010 0.000 2.478 48 E HA 0.097 4.447 4.350 -0.000 0.000 0.194 48 E C 0.184 176.791 176.600 0.012 0.000 1.045 48 E CA -0.355 56.052 56.400 0.011 0.000 0.868 48 E CB 0.538 30.244 29.700 0.010 0.000 0.885 48 E HN 0.194 nan 8.360 nan 0.000 0.505 49 V N 2.647 122.568 119.914 0.011 0.000 2.470 49 V HA -0.036 4.083 4.120 -0.000 0.000 0.276 49 V C 0.842 176.946 176.094 0.017 0.000 1.040 49 V CA 0.322 62.628 62.300 0.011 0.000 1.008 49 V CB 0.838 32.665 31.823 0.007 0.000 0.990 49 V HN 0.205 nan 8.190 nan 0.000 0.477 50 N N 3.286 121.999 118.700 0.021 0.000 2.207 50 N HA 0.013 4.753 4.740 -0.000 0.000 0.182 50 N C 0.513 176.049 175.510 0.043 0.000 1.020 50 N CA 0.637 53.705 53.050 0.031 0.000 0.858 50 N CB 0.407 38.915 38.487 0.034 0.000 0.991 50 N HN 0.814 nan 8.380 nan 0.000 0.427 51 E N -0.287 119.937 120.200 0.040 0.000 2.392 51 E HA 0.367 4.717 4.350 -0.000 0.000 0.279 51 E C -1.933 174.664 176.600 -0.006 0.000 0.964 51 E CA -0.594 55.838 56.400 0.053 0.000 0.777 51 E CB 1.951 31.724 29.700 0.122 0.000 1.249 51 E HN -0.266 nan 8.360 nan 0.000 0.449 52 V N 4.220 124.110 119.914 -0.040 0.000 2.448 52 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 52 V C -0.355 175.570 176.094 -0.282 0.000 1.025 52 V CA -0.573 61.657 62.300 -0.117 0.000 0.859 52 V CB 1.283 33.060 31.823 -0.075 0.000 0.988 52 V HN 0.534 nan 8.190 nan 0.000 0.431 53 I N 6.052 126.386 120.570 -0.392 0.000 2.410 53 I HA 0.512 4.682 4.170 -0.000 0.000 0.286 53 I C -0.797 175.035 176.117 -0.474 0.000 1.009 53 I CA -0.264 60.596 61.300 -0.733 0.000 1.111 53 I CB 1.582 39.078 38.000 -0.839 0.000 1.262 53 I HN 0.341 nan 8.210 nan 0.000 0.443 54 L N 5.530 126.505 121.223 -0.414 0.000 2.376 54 L HA 0.587 4.927 4.340 -0.000 0.000 0.275 54 L C 0.622 177.370 176.870 -0.203 0.000 0.987 54 L CA -0.717 53.978 54.840 -0.242 0.000 0.828 54 L CB 1.957 43.925 42.059 -0.153 0.000 1.249 54 L HN 0.678 nan 8.230 nan 0.000 0.409 55 G N 2.090 110.794 108.800 -0.162 0.000 2.432 55 G HA2 0.329 4.288 3.960 -0.000 0.000 0.239 55 G HA3 0.329 4.288 3.960 -0.000 0.000 0.239 55 G C -0.705 174.152 174.900 -0.073 0.000 1.291 55 G CA 0.101 45.140 45.100 -0.102 0.000 0.863 55 G HN 0.648 nan 8.290 nan 0.000 0.560 56 Q N 1.305 121.077 119.800 -0.047 0.000 2.364 56 Q HA 0.252 4.592 4.340 -0.000 0.000 0.257 56 Q C -0.446 175.540 176.000 -0.023 0.000 0.956 56 Q CA -0.727 55.053 55.803 -0.038 0.000 0.924 56 Q CB 1.807 30.527 28.738 -0.030 0.000 1.413 56 Q HN 0.311 nan 8.270 nan 0.000 0.418 57 V N 3.858 123.753 119.914 -0.031 0.000 3.125 57 V HA 0.123 4.242 4.120 -0.000 0.000 0.249 57 V C 0.651 176.731 176.094 -0.023 0.000 1.113 57 V CA 0.624 62.908 62.300 -0.026 0.000 1.106 57 V CB 0.282 32.080 31.823 -0.042 0.000 0.768 57 V HN 0.671 nan 8.190 nan 0.000 0.468 58 L N 2.349 123.559 121.223 -0.022 0.000 2.637 58 L HA 0.335 4.675 4.340 -0.000 0.000 0.241 58 L C -1.869 175.002 176.870 0.002 0.000 1.398 58 L CA -0.694 54.138 54.840 -0.013 0.000 0.895 58 L CB 1.282 43.331 42.059 -0.016 0.000 1.183 58 L HN 0.169 nan 8.230 nan 0.000 0.497 59 P HA 0.095 nan 4.420 nan 0.000 0.262 59 P C 0.592 177.906 177.300 0.022 0.000 1.304 59 P CA 0.029 63.139 63.100 0.016 0.000 0.859 59 P CB 0.417 32.126 31.700 0.014 0.000 1.310 60 A N 0.718 123.551 122.820 0.021 0.000 2.548 60 A HA 0.427 4.747 4.320 -0.000 0.000 0.247 60 A C 1.591 179.196 177.584 0.034 0.000 1.067 60 A CA 0.776 52.829 52.037 0.026 0.000 0.757 60 A CB -1.132 17.884 19.000 0.026 0.000 0.996 60 A HN 0.372 nan 8.150 nan 0.000 0.504 61 G N 1.560 110.379 108.800 0.032 0.000 2.205 61 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.261 61 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.261 61 G C 0.758 175.679 174.900 0.035 0.000 0.980 61 G CA 0.802 45.923 45.100 0.035 0.000 0.632 61 G HN 0.891 nan 8.290 nan 0.000 0.533 62 E N 0.463 120.685 120.200 0.036 0.000 2.481 62 E HA 0.403 4.753 4.350 -0.000 0.000 0.195 62 E C 1.383 177.991 176.600 0.013 0.000 1.047 62 E CA 1.090 57.519 56.400 0.047 0.000 0.867 62 E CB -0.138 29.602 29.700 0.068 0.000 0.858 62 E HN 1.744 nan 8.360 nan 0.000 0.513 63 G N 0.678 109.479 108.800 0.002 0.000 2.603 63 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 63 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 63 G C -0.955 173.930 174.900 -0.026 0.000 1.286 63 G CA -0.611 44.478 45.100 -0.018 0.000 0.871 63 G HN 0.220 nan 8.290 nan 0.000 0.568 64 Q N 0.394 120.178 119.800 -0.027 0.000 2.262 64 Q HA 0.158 4.498 4.340 -0.000 0.000 0.298 64 Q C 1.029 177.011 176.000 -0.029 0.000 1.083 64 Q CA 0.877 56.669 55.803 -0.020 0.000 0.962 64 Q CB 0.132 28.860 28.738 -0.017 0.000 1.104 64 Q HN 0.938 nan 8.270 nan 0.000 0.376 65 N N 3.307 122.002 118.700 -0.007 0.000 2.642 65 N HA -0.160 4.580 4.740 -0.000 0.000 0.269 65 N C -2.341 173.154 175.510 -0.025 0.000 1.073 65 N CA 0.076 53.129 53.050 0.005 0.000 0.748 65 N CB -0.202 38.300 38.487 0.024 0.000 0.894 65 N HN 0.399 nan 8.380 nan 0.000 0.548 66 P HA -0.124 nan 4.420 nan 0.000 0.218 66 P C 1.174 178.461 177.300 -0.023 0.000 1.146 66 P CA 1.910 64.977 63.100 -0.055 0.000 0.813 66 P CB -0.010 31.695 31.700 0.008 0.000 0.778 67 A N -0.100 122.712 122.820 -0.013 0.000 1.908 67 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 67 A C 2.405 179.979 177.584 -0.017 0.000 1.181 67 A CA 2.040 54.062 52.037 -0.026 0.000 0.627 67 A CB -1.039 17.930 19.000 -0.051 0.000 0.818 67 A HN 0.040 nan 8.150 nan 0.000 0.445 68 R N -0.044 120.451 120.500 -0.009 0.000 2.075 68 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 68 R C 2.219 178.500 176.300 -0.032 0.000 1.126 68 R CA 1.961 58.057 56.100 -0.007 0.000 0.963 68 R CB -0.624 29.679 30.300 0.004 0.000 0.858 68 R HN 0.688 nan 8.270 nan 0.000 0.435 69 Q N -0.471 119.278 119.800 -0.085 0.000 2.096 69 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 69 Q C 2.104 178.098 176.000 -0.010 0.000 0.982 69 Q CA 1.800 57.507 55.803 -0.160 0.000 0.850 69 Q CB -0.262 28.170 28.738 -0.510 0.000 0.901 69 Q HN 0.468 nan 8.270 nan 0.000 0.422 70 A N 1.208 124.060 122.820 0.053 0.000 1.902 70 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 70 A C 2.317 179.932 177.584 0.052 0.000 1.181 70 A CA 1.638 53.739 52.037 0.107 0.000 0.623 70 A CB -0.837 18.201 19.000 0.063 0.000 0.818 70 A HN 0.404 nan 8.150 nan 0.000 0.443 71 A N -0.550 122.282 122.820 0.020 0.000 1.845 71 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 71 A C 2.242 179.837 177.584 0.018 0.000 1.195 71 A CA 2.093 54.136 52.037 0.011 0.000 0.616 71 A CB -0.560 18.442 19.000 0.003 0.000 0.832 71 A HN 0.433 nan 8.150 nan 0.000 0.443 72 M N -0.481 119.128 119.600 0.015 0.000 2.065 72 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 72 M C 2.184 178.500 176.300 0.027 0.000 1.069 72 M CA 2.230 57.540 55.300 0.016 0.000 1.110 72 M CB -1.221 31.382 32.600 0.005 0.000 1.328 72 M HN 0.565 nan 8.290 nan 0.000 0.405 73 K N 0.319 120.748 120.400 0.048 0.000 2.152 73 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 73 K C 1.720 178.345 176.600 0.042 0.000 1.048 73 K CA 1.528 57.852 56.287 0.062 0.000 0.933 73 K CB -0.083 32.488 32.500 0.118 0.000 0.721 73 K HN 0.290 nan 8.250 nan 0.000 0.447 74 A N -0.095 122.747 122.820 0.037 0.000 2.209 74 A HA 0.148 4.468 4.320 -0.000 0.000 0.212 74 A C 1.436 179.030 177.584 0.016 0.000 1.158 74 A CA 0.965 53.016 52.037 0.024 0.000 0.742 74 A CB -0.518 18.494 19.000 0.020 0.000 0.790 74 A HN 0.591 nan 8.150 nan 0.000 0.472 75 G N -1.733 107.077 108.800 0.016 0.000 2.141 75 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.242 75 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.242 75 G C 0.164 175.070 174.900 0.011 0.000 0.982 75 G CA 0.053 45.160 45.100 0.012 0.000 0.662 75 G HN 0.787 nan 8.290 nan 0.000 0.527 76 V N 3.334 123.255 119.914 0.012 0.000 2.529 76 V HA 0.300 4.420 4.120 -0.000 0.000 0.292 76 V C -0.573 175.527 176.094 0.011 0.000 1.028 76 V CA -0.687 61.620 62.300 0.011 0.000 1.074 76 V CB 0.779 32.607 31.823 0.010 0.000 0.958 76 V HN 0.322 nan 8.190 nan 0.000 0.481 77 P HA 0.010 nan 4.420 nan 0.000 0.271 77 P C 0.622 177.929 177.300 0.012 0.000 1.233 77 P CA -0.252 62.855 63.100 0.011 0.000 0.789 77 P CB 0.505 32.211 31.700 0.010 0.000 0.951 78 Q N 0.267 120.073 119.800 0.010 0.000 2.291 78 Q HA -0.205 4.134 4.340 -0.000 0.000 0.206 78 Q C 1.629 177.637 176.000 0.013 0.000 0.976 78 Q CA 1.487 57.296 55.803 0.011 0.000 0.875 78 Q CB -0.404 28.338 28.738 0.008 0.000 0.927 78 Q HN 0.489 nan 8.270 nan 0.000 0.450 79 E N 0.942 121.149 120.200 0.013 0.000 2.150 79 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 79 E C 0.496 177.108 176.600 0.020 0.000 0.985 79 E CA 0.512 56.921 56.400 0.015 0.000 0.814 79 E CB 0.056 29.764 29.700 0.013 0.000 0.752 79 E HN 0.522 nan 8.360 nan 0.000 0.466 80 A N 0.393 123.226 122.820 0.023 0.000 2.292 80 A HA 0.268 4.588 4.320 -0.000 0.000 0.265 80 A C 0.480 178.090 177.584 0.042 0.000 1.133 80 A CA 0.244 52.300 52.037 0.031 0.000 0.807 80 A CB 0.360 19.376 19.000 0.027 0.000 1.102 80 A HN 0.266 nan 8.150 nan 0.000 0.502 81 T N -3.160 111.432 114.554 0.064 0.000 2.907 81 T HA 0.838 5.188 4.350 -0.000 0.000 0.290 81 T C -0.494 174.281 174.700 0.125 0.000 1.066 81 T CA -0.115 62.042 62.100 0.096 0.000 1.012 81 T CB 1.724 70.660 68.868 0.112 0.000 1.184 81 T HN 2.192 nan 8.240 nan 0.000 0.522 82 A N 0.835 123.763 122.820 0.179 0.000 2.605 82 A HA 0.789 5.109 4.320 -0.000 0.000 0.294 82 A C -1.916 175.846 177.584 0.297 0.000 1.062 82 A CA -1.080 51.050 52.037 0.154 0.000 0.682 82 A CB 1.313 20.338 19.000 0.041 0.000 1.278 82 A HN 1.318 nan 8.150 nan 0.000 0.410 83 W N 0.396 121.686 121.300 -0.017 0.000 3.153 83 W HA 0.683 5.343 4.660 -0.000 0.000 0.316 83 W C -0.360 176.148 176.519 -0.018 0.000 1.255 83 W CA -0.768 56.566 57.345 -0.018 0.000 1.192 83 W CB 0.811 30.261 29.460 -0.017 0.000 1.400 83 W HN 1.360 nan 8.180 nan 0.000 0.568 84 G N 1.335 110.239 108.800 0.175 0.000 2.441 84 G HA2 0.825 4.784 3.960 -0.000 0.000 0.334 84 G HA3 0.825 4.784 3.960 -0.000 0.000 0.334 84 G C -1.118 173.875 174.900 0.156 0.000 1.161 84 G CA -0.939 44.184 45.100 0.039 0.000 0.935 84 G HN 0.646 nan 8.290 nan 0.000 0.488 85 M N -0.360 119.263 119.600 0.037 0.000 2.578 85 M HA 0.608 5.088 4.480 -0.000 0.000 0.276 85 M C -1.622 174.699 176.300 0.035 0.000 1.245 85 M CA -1.267 54.093 55.300 0.101 0.000 0.871 85 M CB 2.190 34.892 32.600 0.170 0.000 1.722 85 M HN 0.326 nan 8.290 nan 0.000 0.473 86 N N 1.120 119.854 118.700 0.056 0.000 2.577 86 N HA 0.334 5.074 4.740 -0.000 0.000 0.275 86 N C -1.729 173.810 175.510 0.049 0.000 1.091 86 N CA -0.066 53.006 53.050 0.036 0.000 0.843 86 N CB 1.618 40.124 38.487 0.031 0.000 1.295 86 N HN 0.935 nan 8.380 nan 0.000 0.530 87 Q N 5.231 125.057 119.800 0.045 0.000 2.404 87 Q HA 0.347 4.686 4.340 -0.000 0.000 0.368 87 Q C -0.113 175.921 176.000 0.056 0.000 0.939 87 Q CA -0.385 55.454 55.803 0.060 0.000 1.099 87 Q CB -0.080 28.700 28.738 0.070 0.000 1.284 87 Q HN 0.719 nan 8.270 nan 0.000 0.421 91 S N 0.996 116.710 115.700 0.022 0.000 2.365 91 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 91 S C 2.472 177.047 174.600 -0.042 0.000 1.039 91 S CA 1.917 60.111 58.200 -0.011 0.000 1.033 91 S CB -0.561 62.629 63.200 -0.017 0.000 0.887 91 S HN 0.698 nan 8.310 nan 0.000 0.447 92 G N 0.924 109.705 108.800 -0.032 0.000 2.432 92 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 92 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 92 G C 1.351 176.224 174.900 -0.045 0.000 1.135 92 G CA 0.717 45.790 45.100 -0.046 0.000 0.767 92 G HN 0.381 nan 8.290 nan 0.000 0.550 93 L N 0.123 121.333 121.223 -0.022 0.000 2.145 93 L HA 0.342 4.682 4.340 -0.000 0.000 0.201 93 L C 2.660 179.484 176.870 -0.077 0.000 1.075 93 L CA 1.277 56.103 54.840 -0.023 0.000 0.773 93 L CB -0.648 41.425 42.059 0.024 0.000 0.936 93 L HN 0.141 nan 8.230 nan 0.000 0.451 94 R N 0.566 121.024 120.500 -0.070 0.000 2.119 94 R HA -0.166 4.174 4.340 -0.000 0.000 0.246 94 R C 2.139 178.311 176.300 -0.213 0.000 1.146 94 R CA 1.908 57.917 56.100 -0.151 0.000 0.962 94 R CB -1.055 29.203 30.300 -0.071 0.000 0.863 94 R HN 0.469 nan 8.270 nan 0.000 0.442 95 A N -0.372 122.347 122.820 -0.169 0.000 1.917 95 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 95 A C 2.360 179.815 177.584 -0.214 0.000 1.182 95 A CA 2.030 53.936 52.037 -0.219 0.000 0.633 95 A CB -0.822 18.042 19.000 -0.227 0.000 0.819 95 A HN 0.210 nan 8.150 nan 0.000 0.448 96 V N -0.298 119.511 119.914 -0.176 0.000 2.343 96 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 96 V C 3.020 178.986 176.094 -0.213 0.000 1.051 96 V CA 1.945 64.153 62.300 -0.154 0.000 1.036 96 V CB -1.337 30.428 31.823 -0.096 0.000 0.654 96 V HN 0.639 nan 8.190 nan 0.000 0.451 97 A N -0.131 122.480 122.820 -0.349 0.000 1.902 97 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 97 A C 2.227 179.533 177.584 -0.463 0.000 1.181 97 A CA 1.757 53.426 52.037 -0.614 0.000 0.623 97 A CB -0.539 17.656 19.000 -1.341 0.000 0.818 97 A HN 0.499 nan 8.150 nan 0.000 0.443 98 L N -0.648 120.370 121.223 -0.341 0.000 2.046 98 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 98 L C 2.840 179.678 176.870 -0.053 0.000 1.077 98 L CA 1.161 55.917 54.840 -0.140 0.000 0.747 98 L CB -0.775 41.267 42.059 -0.027 0.000 0.896 98 L HN 0.491 nan 8.230 nan 0.000 0.432 99 G N -0.505 108.238 108.800 -0.095 0.000 2.421 99 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.216 99 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.216 99 G C 1.599 176.478 174.900 -0.035 0.000 1.171 99 G CA 0.726 45.794 45.100 -0.053 0.000 0.775 99 G HN 0.197 nan 8.290 nan 0.000 0.543 100 M N 0.497 120.057 119.600 -0.067 0.000 2.144 100 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 100 M C 2.429 178.724 176.300 -0.008 0.000 1.067 100 M CA 1.829 57.105 55.300 -0.039 0.000 1.095 100 M CB -0.701 31.864 32.600 -0.059 0.000 1.365 100 M HN 0.355 nan 8.290 nan 0.000 0.406 101 Q N -0.412 119.378 119.800 -0.016 0.000 2.079 101 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 101 Q C 2.073 178.098 176.000 0.041 0.000 0.974 101 Q CA 1.457 57.277 55.803 0.029 0.000 0.840 101 Q CB -0.100 28.657 28.738 0.032 0.000 0.898 101 Q HN 0.570 nan 8.270 nan 0.000 0.430 102 Q N 0.367 120.195 119.800 0.046 0.000 2.096 102 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 102 Q C 2.082 178.106 176.000 0.040 0.000 0.982 102 Q CA 1.348 57.185 55.803 0.056 0.000 0.850 102 Q CB -0.280 28.505 28.738 0.079 0.000 0.901 102 Q HN 0.489 nan 8.270 nan 0.000 0.422 103 I N 0.404 120.992 120.570 0.031 0.000 2.233 103 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 103 I C 2.314 178.448 176.117 0.028 0.000 1.093 103 I CA 0.940 62.255 61.300 0.026 0.000 1.380 103 I CB -0.443 37.569 38.000 0.020 0.000 1.067 103 I HN 0.048 nan 8.210 nan 0.000 0.413 104 A N 0.730 123.570 122.820 0.032 0.000 2.019 104 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 104 A C 2.279 179.884 177.584 0.036 0.000 1.164 104 A CA 2.111 54.170 52.037 0.037 0.000 0.644 104 A CB -1.051 17.978 19.000 0.048 0.000 0.805 104 A HN 0.533 nan 8.150 nan 0.000 0.449 105 T N -4.335 110.240 114.554 0.036 0.000 3.129 105 T HA 0.390 4.740 4.350 -0.000 0.000 0.251 105 T C 1.314 176.029 174.700 0.025 0.000 1.117 105 T CA 1.010 63.129 62.100 0.031 0.000 1.034 105 T CB -0.087 68.800 68.868 0.032 0.000 0.968 105 T HN 1.660 nan 8.240 nan 0.000 0.526 106 G N 1.534 110.349 108.800 0.025 0.000 2.143 106 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.248 106 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.248 106 G C 0.411 175.323 174.900 0.021 0.000 0.991 106 G CA 0.247 45.360 45.100 0.021 0.000 0.689 106 G HN 0.542 nan 8.290 nan 0.000 0.522 107 D N 0.119 120.534 120.400 0.024 0.000 2.348 107 D HA 0.453 5.093 4.640 -0.000 0.000 0.211 107 D C 1.294 177.612 176.300 0.030 0.000 0.998 107 D CA 1.372 55.387 54.000 0.025 0.000 0.873 107 D CB 0.549 41.365 40.800 0.026 0.000 0.925 107 D HN 1.027 nan 8.370 nan 0.000 0.524 108 A N -0.834 122.005 122.820 0.031 0.000 2.606 108 A HA 0.540 4.860 4.320 -0.000 0.000 0.293 108 A C 0.331 177.930 177.584 0.025 0.000 1.082 108 A CA -0.428 51.629 52.037 0.032 0.000 0.685 108 A CB 1.500 20.526 19.000 0.044 0.000 1.284 108 A HN -0.128 nan 8.150 nan 0.000 0.408 109 S N -0.317 115.396 115.700 0.022 0.000 2.566 109 S HA 0.407 4.877 4.470 -0.000 0.000 0.234 109 S C 0.312 174.922 174.600 0.016 0.000 1.075 109 S CA 0.606 58.817 58.200 0.018 0.000 0.926 109 S CB 0.027 63.236 63.200 0.016 0.000 0.811 109 S HN 0.547 nan 8.310 nan 0.000 0.518 110 I N 2.329 122.909 120.570 0.016 0.000 2.499 110 I HA 0.408 4.578 4.170 -0.000 0.000 0.288 110 I C -1.550 174.572 176.117 0.010 0.000 1.048 110 I CA -0.522 60.785 61.300 0.011 0.000 1.062 110 I CB 2.038 40.044 38.000 0.010 0.000 1.238 110 I HN 0.061 nan 8.210 nan 0.000 0.426 111 I N 6.573 127.144 120.570 0.001 0.000 2.545 111 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 111 I C -0.196 175.906 176.117 -0.024 0.000 1.040 111 I CA -0.874 60.420 61.300 -0.010 0.000 1.068 111 I CB 2.208 40.199 38.000 -0.015 0.000 1.251 111 I HN 0.106 nan 8.210 nan 0.000 0.424 112 V N 5.011 124.902 119.914 -0.038 0.000 2.427 112 V HA 0.821 4.941 4.120 -0.000 0.000 0.286 112 V C 0.218 176.259 176.094 -0.088 0.000 1.034 112 V CA -0.382 61.890 62.300 -0.048 0.000 0.893 112 V CB 1.516 33.317 31.823 -0.037 0.000 0.982 112 V HN 0.916 nan 8.190 nan 0.000 0.452 113 A N 3.528 126.295 122.820 -0.088 0.000 2.515 113 A HA 1.026 5.346 4.320 -0.000 0.000 0.298 113 A C 0.026 177.545 177.584 -0.108 0.000 1.059 113 A CA 0.164 52.122 52.037 -0.132 0.000 0.698 113 A CB 2.125 21.037 19.000 -0.148 0.000 1.289 113 A HN 1.316 nan 8.150 nan 0.000 0.404 114 G N -0.416 108.306 108.800 -0.131 0.000 2.539 114 G HA2 0.689 4.649 3.960 -0.000 0.000 0.138 114 G HA3 0.689 4.649 3.960 -0.000 0.000 0.138 114 G C -0.211 174.624 174.900 -0.109 0.000 1.148 114 G CA 0.499 45.540 45.100 -0.099 0.000 1.057 114 G HN 1.937 nan 8.290 nan 0.000 0.511 115 G N -0.618 108.130 108.800 -0.086 0.000 2.692 115 G HA2 0.768 4.727 3.960 -0.000 0.000 0.291 115 G HA3 0.768 4.727 3.960 -0.000 0.000 0.291 115 G C -0.778 174.072 174.900 -0.082 0.000 1.423 115 G CA -0.065 44.985 45.100 -0.084 0.000 0.843 115 G HN 1.468 nan 8.290 nan 0.000 0.486 116 M N -0.327 119.223 119.600 -0.082 0.000 2.413 116 M HA 0.884 5.364 4.480 -0.000 0.000 0.287 116 M C -1.766 174.485 176.300 -0.082 0.000 1.186 116 M CA -0.916 54.329 55.300 -0.092 0.000 0.927 116 M CB 2.852 35.396 32.600 -0.093 0.000 1.715 116 M HN 0.419 nan 8.290 nan 0.000 0.478 117 E N 1.038 121.183 120.200 -0.091 0.000 2.311 117 E HA 0.464 4.814 4.350 -0.000 0.000 0.281 117 E C -1.883 174.679 176.600 -0.064 0.000 0.905 117 E CA -0.144 56.212 56.400 -0.073 0.000 0.778 117 E CB 2.469 32.119 29.700 -0.083 0.000 1.240 117 E HN 0.698 nan 8.360 nan 0.000 0.410 118 S N 5.268 120.945 115.700 -0.039 0.000 2.505 118 S HA 0.276 4.746 4.470 -0.000 0.000 0.280 118 S C 0.838 175.465 174.600 0.046 0.000 1.197 118 S CA -0.366 57.834 58.200 -0.001 0.000 1.138 118 S CB 0.123 63.315 63.200 -0.014 0.000 1.010 118 S HN 0.717 nan 8.310 nan 0.000 0.480 119 M N 2.289 121.936 119.600 0.079 0.000 2.229 119 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 119 M C 2.208 178.719 176.300 0.351 0.000 1.063 119 M CA 1.130 56.517 55.300 0.144 0.000 1.114 119 M CB -0.386 32.244 32.600 0.051 0.000 1.387 119 M HN 0.551 nan 8.290 nan 0.000 0.420 120 S N 0.385 116.261 115.700 0.292 0.000 2.368 120 S HA -0.039 4.431 4.470 -0.000 0.000 0.225 120 S C 1.773 176.398 174.600 0.041 0.000 1.030 120 S CA 1.125 59.364 58.200 0.066 0.000 0.999 120 S CB -0.124 63.036 63.200 -0.068 0.000 0.844 120 S HN 0.426 nan 8.310 nan 0.000 0.459 121 M N 1.111 120.745 119.600 0.056 0.000 2.595 121 M HA 0.246 4.726 4.480 -0.000 0.000 0.248 121 M C 0.838 177.179 176.300 0.067 0.000 1.119 121 M CA -0.079 55.248 55.300 0.045 0.000 1.079 121 M CB -1.481 31.137 32.600 0.029 0.000 1.472 121 M HN 0.164 nan 8.290 nan 0.000 0.501 122 A N 3.555 126.429 122.820 0.090 0.000 2.548 122 A HA 0.302 4.622 4.320 -0.000 0.000 0.247 122 A C -1.913 175.732 177.584 0.101 0.000 1.067 122 A CA -0.679 51.406 52.037 0.079 0.000 0.757 122 A CB -0.744 18.297 19.000 0.068 0.000 0.996 122 A HN 0.172 nan 8.150 nan 0.000 0.504 123 P HA 0.414 nan 4.420 nan 0.000 0.281 123 P C -0.816 176.570 177.300 0.143 0.000 1.281 123 P CA -0.410 62.776 63.100 0.143 0.000 0.811 123 P CB 0.667 32.431 31.700 0.106 0.000 1.154 124 H N -1.265 117.838 119.070 0.055 0.000 2.482 124 H HA 0.499 5.055 4.556 0.000 0.000 0.344 124 H C 0.325 175.692 175.328 0.064 0.000 1.151 124 H CA 0.016 56.100 56.048 0.060 0.000 1.300 124 H CB 0.433 30.229 29.762 0.058 0.000 1.494 124 H HN 0.654 nan 8.280 nan 0.000 0.542 125 C N 0.590 119.994 119.300 0.174 0.000 3.318 125 C HA 0.987 5.447 4.460 -0.000 0.000 0.322 125 C C -0.994 174.088 174.990 0.154 0.000 1.398 125 C CA -0.562 58.538 59.018 0.136 0.000 1.339 125 C CB 0.777 28.569 27.740 0.088 0.000 1.668 125 C HN 1.044 nan 8.230 nan 0.000 0.462 126 A N 0.452 123.356 122.820 0.139 0.000 2.589 126 A HA 0.688 5.008 4.320 -0.000 0.000 0.296 126 A C -1.266 176.366 177.584 0.080 0.000 1.062 126 A CA -0.240 51.878 52.037 0.136 0.000 0.686 126 A CB 0.822 19.948 19.000 0.210 0.000 1.282 126 A HN 1.368 nan 8.150 nan 0.000 0.404 127 H N 2.582 121.635 119.070 -0.028 0.000 2.742 127 H HA 0.526 5.082 4.556 -0.000 0.000 0.302 127 H C -0.699 174.556 175.328 -0.121 0.000 1.069 127 H CA 0.191 56.206 56.048 -0.055 0.000 1.446 127 H CB 0.678 30.414 29.762 -0.043 0.000 1.462 127 H HN 0.533 nan 8.280 nan 0.000 0.499 128 L N 5.122 126.016 121.223 -0.549 0.000 3.410 128 L HA 0.206 4.545 4.340 -0.000 0.000 0.309 128 L C 2.093 178.719 176.870 -0.407 0.000 1.254 128 L CA -0.124 54.447 54.840 -0.449 0.000 1.048 128 L CB 0.349 42.235 42.059 -0.289 0.000 1.442 128 L HN 0.538 nan 8.230 nan 0.000 0.615 129 R N 0.624 120.795 120.500 -0.548 0.000 2.075 129 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 129 R C 2.279 178.455 176.300 -0.206 0.000 1.126 129 R CA 1.472 57.400 56.100 -0.288 0.000 0.963 129 R CB -0.350 29.850 30.300 -0.167 0.000 0.858 129 R HN 0.377 nan 8.270 nan 0.000 0.435 130 G N 0.530 109.188 108.800 -0.236 0.000 2.422 130 G HA2 0.037 3.997 3.960 -0.000 0.000 0.218 130 G HA3 0.037 3.997 3.960 -0.000 0.000 0.218 130 G C 0.577 175.402 174.900 -0.123 0.000 1.146 130 G CA 0.674 45.706 45.100 -0.113 0.000 0.769 130 G HN 0.632 nan 8.290 nan 0.000 0.547 131 G N -1.888 106.801 108.800 -0.186 0.000 2.721 131 G HA2 0.071 4.031 3.960 -0.000 0.000 0.686 131 G HA3 0.071 4.031 3.960 -0.000 0.000 0.686 131 G C -0.594 174.216 174.900 -0.151 0.000 1.236 131 G CA -0.453 44.550 45.100 -0.160 0.000 0.786 131 G HN 0.915 nan 8.290 nan 0.000 0.616 132 V N 4.107 123.924 119.914 -0.162 0.000 2.288 132 V HA 0.249 4.369 4.120 -0.000 0.000 0.266 132 V C 1.565 177.642 176.094 -0.030 0.000 1.048 132 V CA -0.414 61.818 62.300 -0.114 0.000 0.842 132 V CB 1.116 32.839 31.823 -0.167 0.000 1.064 132 V HN 0.776 nan 8.190 nan 0.000 0.472 133 K N 3.549 123.938 120.400 -0.019 0.000 2.097 133 K HA 0.008 4.328 4.320 -0.000 0.000 0.206 133 K C 0.507 177.117 176.600 0.017 0.000 1.049 133 K CA 1.459 57.744 56.287 -0.002 0.000 0.933 133 K CB 0.090 32.589 32.500 -0.002 0.000 0.717 133 K HN 0.771 nan 8.250 nan 0.000 0.442 134 M N -2.547 117.071 119.600 0.030 0.000 2.605 134 M HA 0.403 4.883 4.480 -0.000 0.000 0.281 134 M C -1.218 175.120 176.300 0.063 0.000 1.166 134 M CA 0.161 55.487 55.300 0.043 0.000 0.875 134 M CB 2.284 34.902 32.600 0.030 0.000 1.732 134 M HN 0.246 nan 8.290 nan 0.000 0.504 135 G N 2.065 110.908 108.800 0.071 0.000 2.662 135 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.686 135 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.686 135 G C -1.629 173.340 174.900 0.116 0.000 1.271 135 G CA -0.437 44.708 45.100 0.075 0.000 0.816 135 G HN 0.955 nan 8.290 nan 0.000 0.608 136 D N -0.164 120.284 120.400 0.080 0.000 2.382 136 D HA 0.581 5.221 4.640 -0.000 0.000 0.240 136 D C 0.651 177.037 176.300 0.144 0.000 1.146 136 D CA 1.131 55.161 54.000 0.051 0.000 0.897 136 D CB 0.572 41.367 40.800 -0.007 0.000 1.197 136 D HN 0.715 nan 8.370 nan 0.000 0.432 137 F N -2.165 117.797 119.950 0.020 0.000 2.650 137 F HA 0.580 5.108 4.527 0.000 0.000 0.320 137 F C -0.570 175.250 175.800 0.033 0.000 1.091 137 F CA -1.337 56.678 58.000 0.026 0.000 0.962 137 F CB 1.316 40.330 39.000 0.024 0.000 1.363 137 F HN -0.128 nan 8.300 nan 0.000 0.482 138 K N 2.235 122.772 120.400 0.229 0.000 2.183 138 K HA 0.438 4.758 4.320 -0.000 0.000 0.274 138 K C -0.803 175.930 176.600 0.221 0.000 1.009 138 K CA -0.822 55.536 56.287 0.118 0.000 0.888 138 K CB 1.419 33.990 32.500 0.119 0.000 1.078 138 K HN 0.526 nan 8.250 nan 0.000 0.459 139 M N 4.197 123.867 119.600 0.118 0.000 2.120 139 M HA 0.258 4.738 4.480 -0.000 0.000 0.354 139 M C -0.321 176.102 176.300 0.206 0.000 1.287 139 M CA -0.560 54.861 55.300 0.202 0.000 1.103 139 M CB 0.535 33.237 32.600 0.170 0.000 1.623 139 M HN 0.365 nan 8.290 nan 0.000 0.471 140 I N 2.917 123.577 120.570 0.151 0.000 2.342 140 I HA 0.100 4.270 4.170 -0.000 0.000 0.291 140 I C 0.478 176.520 176.117 -0.124 0.000 1.010 140 I CA -0.502 60.825 61.300 0.045 0.000 1.308 140 I CB 0.745 38.771 38.000 0.043 0.000 1.400 140 I HN 0.498 nan 8.210 nan 0.000 0.488 141 D N 5.251 125.472 120.400 -0.298 0.000 2.357 141 D HA -0.026 4.614 4.640 -0.000 0.000 0.265 141 D C 1.529 177.700 176.300 -0.216 0.000 1.334 141 D CA 0.124 53.811 54.000 -0.521 0.000 0.984 141 D CB 0.816 41.398 40.800 -0.363 0.000 1.077 141 D HN 0.693 nan 8.370 nan 0.000 0.514 142 T N 1.083 115.541 114.554 -0.161 0.000 2.881 142 T HA -0.239 4.111 4.350 -0.000 0.000 0.270 142 T C 1.985 176.646 174.700 -0.065 0.000 1.068 142 T CA 0.747 62.802 62.100 -0.074 0.000 1.131 142 T CB -0.182 68.667 68.868 -0.032 0.000 0.871 142 T HN 0.465 nan 8.240 nan 0.000 0.479 143 M N 0.256 119.817 119.600 -0.066 0.000 2.108 143 M HA -0.060 4.420 4.480 -0.000 0.000 0.261 143 M C 1.698 177.952 176.300 -0.077 0.000 1.066 143 M CA 1.789 57.057 55.300 -0.053 0.000 1.107 143 M CB -0.194 32.393 32.600 -0.021 0.000 1.356 143 M HN 0.196 nan 8.290 nan 0.000 0.406 144 I N 0.337 120.863 120.570 -0.073 0.000 2.277 144 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 144 I C 2.341 178.414 176.117 -0.074 0.000 1.094 144 I CA 1.286 62.546 61.300 -0.066 0.000 1.393 144 I CB -1.576 36.417 38.000 -0.012 0.000 1.078 144 I HN 0.281 nan 8.210 nan 0.000 0.417 145 K N 1.604 121.967 120.400 -0.062 0.000 2.025 145 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 145 K C 1.386 177.946 176.600 -0.068 0.000 1.049 145 K CA 1.799 58.053 56.287 -0.056 0.000 0.933 145 K CB -0.199 32.275 32.500 -0.045 0.000 0.714 145 K HN 0.168 nan 8.250 nan 0.000 0.438 146 D N -1.620 118.742 120.400 -0.064 0.000 2.354 146 D HA 0.116 4.756 4.640 -0.000 0.000 0.209 146 D C 1.324 177.587 176.300 -0.062 0.000 1.015 146 D CA 0.946 54.911 54.000 -0.059 0.000 0.867 146 D CB 0.740 41.514 40.800 -0.044 0.000 0.933 146 D HN 0.447 nan 8.370 nan 0.000 0.520 147 G N -0.422 108.333 108.800 -0.076 0.000 2.739 147 G HA2 0.149 4.108 3.960 -0.000 0.000 0.200 147 G HA3 0.149 4.108 3.960 -0.000 0.000 0.200 147 G C 1.222 176.060 174.900 -0.102 0.000 1.069 147 G CA -0.072 44.977 45.100 -0.084 0.000 0.768 147 G HN 0.188 nan 8.290 nan 0.000 0.565 148 L N 0.781 121.914 121.223 -0.150 0.000 3.039 148 L HA 0.291 4.631 4.340 -0.000 0.000 0.269 148 L C 0.031 176.711 176.870 -0.317 0.000 1.169 148 L CA 0.151 54.829 54.840 -0.271 0.000 0.986 148 L CB 1.184 42.980 42.059 -0.439 0.000 1.377 148 L HN -0.084 nan 8.230 nan 0.000 0.575 149 T N 0.016 114.468 114.554 -0.170 0.000 2.767 149 T HA 0.186 4.536 4.350 -0.000 0.000 0.284 149 T C -0.539 174.129 174.700 -0.053 0.000 0.973 149 T CA -0.326 61.722 62.100 -0.087 0.000 0.996 149 T CB 1.952 70.787 68.868 -0.054 0.000 0.927 149 T HN -0.050 nan 8.240 nan 0.000 0.456 150 D N 1.858 122.259 120.400 0.003 0.000 2.383 150 D HA 0.365 5.005 4.640 -0.000 0.000 0.252 150 D C 1.023 177.244 176.300 -0.133 0.000 1.166 150 D CA -0.248 53.754 54.000 0.003 0.000 0.879 150 D CB 0.728 41.585 40.800 0.094 0.000 1.164 150 D HN 0.544 nan 8.370 nan 0.000 0.462 151 A N 3.242 125.859 122.820 -0.339 0.000 2.119 151 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 151 A C 1.249 178.429 177.584 -0.673 0.000 1.152 151 A CA 0.656 52.346 52.037 -0.578 0.000 0.708 151 A CB -0.411 18.103 19.000 -0.810 0.000 0.805 151 A HN 0.638 nan 8.150 nan 0.000 0.460 152 F N -3.201 116.672 119.950 -0.127 0.000 2.437 152 F HA 0.182 4.709 4.527 -0.000 0.000 0.288 152 F C 1.657 177.146 175.800 -0.519 0.000 1.085 152 F CA 0.546 58.373 58.000 -0.288 0.000 1.430 152 F CB -0.215 38.626 39.000 -0.264 0.000 1.120 152 F HN 0.201 nan 8.300 nan 0.000 0.556 153 Y N -0.443 119.757 120.300 -0.168 0.000 2.442 153 Y HA 0.395 4.945 4.550 -0.000 0.000 0.250 153 Y C 1.961 177.598 175.900 -0.439 0.000 1.113 153 Y CA 0.195 58.038 58.100 -0.427 0.000 1.273 153 Y CB 0.377 38.289 38.460 -0.913 0.000 1.138 153 Y HN 0.130 nan 8.280 nan 0.000 0.522 154 G N 0.056 108.738 108.800 -0.197 0.000 2.184 154 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.264 154 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.264 154 G C -0.111 174.811 174.900 0.037 0.000 0.975 154 G CA 0.561 45.613 45.100 -0.081 0.000 0.642 154 G HN 0.409 nan 8.290 nan 0.000 0.536 155 Y N -0.644 119.725 120.300 0.115 0.000 2.568 155 Y HA 0.824 5.374 4.550 -0.000 0.000 0.327 155 Y C 0.431 176.390 175.900 0.097 0.000 1.163 155 Y CA -3.101 55.065 58.100 0.111 0.000 1.219 155 Y CB 0.347 38.869 38.460 0.103 0.000 1.308 155 Y HN 0.242 nan 8.280 nan 0.000 0.503 156 H N 2.602 121.834 119.070 0.270 0.000 2.707 156 H HA 0.125 4.681 4.556 -0.000 0.000 0.359 156 H C 1.144 176.461 175.328 -0.018 0.000 1.113 156 H CA -0.019 56.102 56.048 0.122 0.000 1.422 156 H CB 1.159 31.015 29.762 0.156 0.000 1.443 156 H HN 0.827 nan 8.280 nan 0.000 0.591 157 M N 3.467 123.128 119.600 0.103 0.000 2.146 157 M HA -0.158 4.322 4.480 -0.000 0.000 0.256 157 M C 2.279 178.382 176.300 -0.328 0.000 1.075 157 M CA 1.665 57.011 55.300 0.076 0.000 1.082 157 M CB -1.659 31.091 32.600 0.250 0.000 1.355 157 M HN 0.803 nan 8.290 nan 0.000 0.402 158 G N -0.863 107.595 108.800 -0.571 0.000 2.479 158 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.220 158 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.220 158 G C 1.515 175.720 174.900 -1.158 0.000 1.115 158 G CA 1.492 45.577 45.100 -1.691 0.000 0.757 158 G HN 0.459 nan 8.290 nan 0.000 0.560 159 T N 0.824 114.929 114.554 -0.748 0.000 2.857 159 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 159 T C 2.841 177.180 174.700 -0.601 0.000 1.048 159 T CA 1.908 63.626 62.100 -0.637 0.000 1.139 159 T CB -0.469 67.861 68.868 -0.896 0.000 0.874 159 T HN 0.580 nan 8.240 nan 0.000 0.455 160 T N 1.175 115.457 114.554 -0.452 0.000 2.788 160 T HA -0.005 4.345 4.350 -0.000 0.000 0.268 160 T C 2.244 176.752 174.700 -0.320 0.000 1.044 160 T CA 1.158 63.100 62.100 -0.264 0.000 1.139 160 T CB -0.557 68.262 68.868 -0.081 0.000 0.867 160 T HN 0.303 nan 8.240 nan 0.000 0.454 161 A N 1.577 124.065 122.820 -0.552 0.000 1.969 161 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 161 A C 2.461 179.851 177.584 -0.324 0.000 1.169 161 A CA 1.317 53.031 52.037 -0.538 0.000 0.635 161 A CB -0.484 17.831 19.000 -1.141 0.000 0.810 161 A HN 0.504 nan 8.150 nan 0.000 0.445 162 E N 0.514 120.517 120.200 -0.327 0.000 2.072 162 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 162 E C 1.699 178.214 176.600 -0.143 0.000 0.985 162 E CA 1.121 57.407 56.400 -0.189 0.000 0.801 162 E CB -0.424 29.167 29.700 -0.182 0.000 0.750 162 E HN 0.574 nan 8.360 nan 0.000 0.452 163 N N 0.688 119.280 118.700 -0.180 0.000 2.094 163 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 163 N C 1.997 177.484 175.510 -0.038 0.000 1.023 163 N CA 0.913 53.894 53.050 -0.116 0.000 0.857 163 N CB -0.578 37.830 38.487 -0.131 0.000 1.013 163 N HN -0.000 nan 8.380 nan 0.000 0.426 164 V N 1.147 121.047 119.914 -0.024 0.000 2.427 164 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 164 V C 2.305 178.486 176.094 0.145 0.000 1.051 164 V CA 1.572 63.932 62.300 0.099 0.000 1.048 164 V CB -0.902 30.939 31.823 0.029 0.000 0.666 164 V HN 0.315 nan 8.190 nan 0.000 0.456 165 A N -0.108 122.732 122.820 0.033 0.000 1.933 165 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 165 A C 2.292 179.910 177.584 0.057 0.000 1.175 165 A CA 1.840 53.902 52.037 0.041 0.000 0.628 165 A CB -0.349 18.648 19.000 -0.006 0.000 0.814 165 A HN 0.551 nan 8.150 nan 0.000 0.444 166 K N -0.910 119.504 120.400 0.023 0.000 2.103 166 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 166 K C 2.350 178.954 176.600 0.006 0.000 1.052 166 K CA 1.317 57.608 56.287 0.007 0.000 0.945 166 K CB -0.140 32.349 32.500 -0.020 0.000 0.722 166 K HN 0.600 nan 8.250 nan 0.000 0.443 167 Q N -0.346 119.465 119.800 0.019 0.000 2.046 167 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 167 Q C 1.008 176.929 176.000 -0.132 0.000 0.975 167 Q CA 1.501 57.267 55.803 -0.061 0.000 0.836 167 Q CB 0.064 28.778 28.738 -0.039 0.000 0.896 167 Q HN 0.376 nan 8.270 nan 0.000 0.428 168 W N 0.756 122.029 121.300 -0.045 0.000 3.353 168 W HA 0.180 4.840 4.660 -0.000 0.000 0.304 168 W C -0.185 176.314 176.519 -0.033 0.000 1.273 168 W CA -0.053 57.268 57.345 -0.040 0.000 1.773 168 W CB 0.358 29.790 29.460 -0.046 0.000 1.095 168 W HN 0.185 nan 8.180 nan 0.000 0.676 169 Q N 0.260 120.132 119.800 0.120 0.000 2.451 169 Q HA -0.218 4.122 4.340 -0.000 0.000 0.305 169 Q C -0.466 175.584 176.000 0.083 0.000 1.345 169 Q CA 0.385 56.228 55.803 0.068 0.000 0.854 169 Q CB -2.172 26.586 28.738 0.035 0.000 1.162 169 Q HN 0.341 nan 8.270 nan 0.000 0.440 170 L N 1.269 122.546 121.223 0.090 0.000 2.265 170 L HA 0.279 4.619 4.340 -0.000 0.000 0.288 170 L C 1.097 177.993 176.870 0.043 0.000 1.058 170 L CA -0.371 54.508 54.840 0.065 0.000 0.809 170 L CB 1.073 43.159 42.059 0.045 0.000 1.179 170 L HN 0.228 nan 8.230 nan 0.000 0.429 171 S N 2.258 117.983 115.700 0.041 0.000 2.600 171 S HA 0.140 4.609 4.470 -0.000 0.000 0.265 171 S C 0.935 175.557 174.600 0.037 0.000 1.325 171 S CA -0.611 57.611 58.200 0.036 0.000 1.002 171 S CB 1.409 64.631 63.200 0.036 0.000 0.921 171 S HN 0.695 nan 8.310 nan 0.000 0.554 172 R N 0.741 121.262 120.500 0.035 0.000 2.115 172 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 172 R C 1.152 177.479 176.300 0.046 0.000 1.111 172 R CA 1.940 58.064 56.100 0.040 0.000 0.976 172 R CB -0.987 29.333 30.300 0.033 0.000 0.870 172 R HN 0.764 nan 8.270 nan 0.000 0.445 173 D N 0.337 120.762 120.400 0.042 0.000 2.097 173 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 173 D C 1.610 177.945 176.300 0.058 0.000 0.989 173 D CA 1.609 55.636 54.000 0.045 0.000 0.827 173 D CB -0.331 40.491 40.800 0.037 0.000 0.966 173 D HN 0.519 nan 8.370 nan 0.000 0.456 174 E N 0.563 120.799 120.200 0.059 0.000 2.085 174 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 174 E C 1.920 178.579 176.600 0.099 0.000 0.994 174 E CA 1.104 57.548 56.400 0.073 0.000 0.801 174 E CB 0.067 29.801 29.700 0.056 0.000 0.743 174 E HN 0.304 nan 8.360 nan 0.000 0.453 175 Q N -0.036 119.812 119.800 0.080 0.000 2.172 175 Q HA -0.138 4.201 4.340 -0.000 0.000 0.200 175 Q C 1.754 177.845 176.000 0.151 0.000 0.964 175 Q CA 1.304 57.166 55.803 0.099 0.000 0.855 175 Q CB 0.105 28.883 28.738 0.066 0.000 0.918 175 Q HN 0.302 nan 8.270 nan 0.000 0.444 176 D N 0.642 121.108 120.400 0.111 0.000 2.117 176 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 176 D C 1.811 178.172 176.300 0.102 0.000 0.982 176 D CA 1.288 55.347 54.000 0.097 0.000 0.828 176 D CB -0.223 40.616 40.800 0.064 0.000 0.967 176 D HN 0.239 nan 8.370 nan 0.000 0.464 177 A N 0.284 123.167 122.820 0.104 0.000 1.908 177 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 177 A C 2.127 179.776 177.584 0.110 0.000 1.181 177 A CA 1.149 53.240 52.037 0.090 0.000 0.627 177 A CB -1.049 18.004 19.000 0.089 0.000 0.818 177 A HN 0.292 nan 8.150 nan 0.000 0.445 178 F N 0.520 120.483 119.950 0.021 0.000 2.234 178 F HA 0.036 4.562 4.527 -0.000 0.000 0.299 178 F C 2.426 178.237 175.800 0.018 0.000 1.087 178 F CA 1.061 59.073 58.000 0.020 0.000 1.340 178 F CB -0.157 38.858 39.000 0.025 0.000 1.031 178 F HN 0.252 nan 8.300 nan 0.000 0.500 179 A N -0.349 122.577 122.820 0.176 0.000 1.874 179 A HA -0.053 4.267 4.320 -0.000 0.000 0.214 179 A C 2.235 179.808 177.584 -0.019 0.000 1.189 179 A CA 1.537 53.625 52.037 0.085 0.000 0.615 179 A CB -1.282 17.794 19.000 0.126 0.000 0.830 179 A HN 0.193 nan 8.150 nan 0.000 0.443 180 V N 0.237 120.147 119.914 -0.006 0.000 2.324 180 V HA -0.303 3.816 4.120 -0.000 0.000 0.250 180 V C 3.016 179.067 176.094 -0.071 0.000 1.060 180 V CA 2.088 64.370 62.300 -0.031 0.000 1.042 180 V CB -1.284 30.532 31.823 -0.011 0.000 0.650 180 V HN 0.606 nan 8.190 nan 0.000 0.450 181 A N -0.935 121.820 122.820 -0.107 0.000 1.930 181 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 181 A C 2.540 180.000 177.584 -0.207 0.000 1.175 181 A CA 2.036 53.980 52.037 -0.155 0.000 0.627 181 A CB -0.667 18.222 19.000 -0.185 0.000 0.815 181 A HN 0.475 nan 8.150 nan 0.000 0.443 182 S N -1.096 114.434 115.700 -0.283 0.000 2.383 182 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 182 S C 2.190 176.719 174.600 -0.118 0.000 1.026 182 S CA 1.406 59.461 58.200 -0.241 0.000 0.981 182 S CB -0.336 62.705 63.200 -0.265 0.000 0.818 182 S HN 0.575 nan 8.310 nan 0.000 0.472 183 Q N 1.340 121.082 119.800 -0.096 0.000 2.050 183 Q HA -0.052 4.287 4.340 -0.000 0.000 0.202 183 Q C 2.015 177.968 176.000 -0.079 0.000 0.980 183 Q CA 1.451 57.209 55.803 -0.075 0.000 0.840 183 Q CB -0.872 27.825 28.738 -0.069 0.000 0.898 183 Q HN 0.701 nan 8.270 nan 0.000 0.424 184 N N 0.557 119.209 118.700 -0.081 0.000 2.084 184 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 184 N C 1.794 177.260 175.510 -0.074 0.000 1.030 184 N CA 0.826 53.831 53.050 -0.076 0.000 0.849 184 N CB -0.012 38.435 38.487 -0.067 0.000 1.012 184 N HN 0.195 nan 8.380 nan 0.000 0.423 185 K N 0.872 121.226 120.400 -0.077 0.000 2.032 185 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 185 K C 2.154 178.736 176.600 -0.031 0.000 1.048 185 K CA 1.371 57.618 56.287 -0.067 0.000 0.927 185 K CB -0.147 32.304 32.500 -0.081 0.000 0.712 185 K HN 0.170 nan 8.250 nan 0.000 0.441 186 A N 1.240 124.064 122.820 0.007 0.000 1.929 186 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 186 A C 2.037 179.677 177.584 0.095 0.000 1.176 186 A CA 1.255 53.367 52.037 0.125 0.000 0.628 186 A CB -0.296 18.765 19.000 0.102 0.000 0.816 186 A HN 0.364 nan 8.150 nan 0.000 0.444 187 E N 0.050 120.219 120.200 -0.051 0.000 2.106 187 E HA -0.103 4.246 4.350 -0.000 0.000 0.192 187 E C 2.152 178.692 176.600 -0.101 0.000 0.984 187 E CA 0.898 57.199 56.400 -0.165 0.000 0.806 187 E CB -0.197 29.337 29.700 -0.278 0.000 0.750 187 E HN 0.524 nan 8.360 nan 0.000 0.458 188 A N 1.534 124.308 122.820 -0.076 0.000 1.858 188 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 188 A C 2.450 179.986 177.584 -0.080 0.000 1.190 188 A CA 1.983 53.978 52.037 -0.071 0.000 0.617 188 A CB -0.964 17.994 19.000 -0.071 0.000 0.827 188 A HN 0.402 nan 8.150 nan 0.000 0.443 189 A N -0.735 122.019 122.820 -0.110 0.000 1.873 189 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 189 A C 2.243 179.701 177.584 -0.211 0.000 1.193 189 A CA 2.224 54.105 52.037 -0.259 0.000 0.629 189 A CB -0.853 17.849 19.000 -0.496 0.000 0.826 189 A HN 0.695 nan 8.150 nan 0.000 0.447 190 Q N -0.345 119.481 119.800 0.043 0.000 2.014 190 Q HA -0.255 4.084 4.340 -0.000 0.000 0.207 190 Q C 2.067 178.120 176.000 0.089 0.000 0.993 190 Q CA 2.260 58.206 55.803 0.239 0.000 0.850 190 Q CB -0.203 28.695 28.738 0.267 0.000 0.916 190 Q HN 0.654 nan 8.270 nan 0.000 0.417 191 K N -0.011 120.409 120.400 0.034 0.000 2.152 191 K HA -0.161 4.158 4.320 -0.000 0.000 0.206 191 K C 1.384 177.985 176.600 0.001 0.000 1.048 191 K CA 1.386 57.687 56.287 0.023 0.000 0.933 191 K CB -0.019 32.482 32.500 0.002 0.000 0.721 191 K HN 0.313 nan 8.250 nan 0.000 0.447 192 D N -0.818 119.562 120.400 -0.033 0.000 2.363 192 D HA 0.014 4.654 4.640 -0.000 0.000 0.220 192 D C 0.970 177.242 176.300 -0.046 0.000 0.994 192 D CA 0.814 54.786 54.000 -0.048 0.000 0.890 192 D CB 0.422 41.175 40.800 -0.077 0.000 0.906 192 D HN 0.409 nan 8.370 nan 0.000 0.530 193 G N 0.740 109.520 108.800 -0.034 0.000 2.157 193 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.248 193 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.248 193 G C 1.221 176.091 174.900 -0.051 0.000 0.979 193 G CA 0.090 45.183 45.100 -0.012 0.000 0.650 193 G HN 0.332 nan 8.290 nan 0.000 0.529 194 R N -0.932 119.468 120.500 -0.167 0.000 2.280 194 R HA 0.163 4.503 4.340 -0.000 0.000 0.207 194 R C 1.443 177.566 176.300 -0.296 0.000 1.043 194 R CA 0.939 56.886 56.100 -0.255 0.000 1.006 194 R CB -0.198 29.877 30.300 -0.374 0.000 0.885 194 R HN 0.443 nan 8.270 nan 0.000 0.467 195 F N 0.590 120.535 119.950 -0.008 0.000 2.765 195 F HA 0.133 4.660 4.527 -0.000 0.000 0.302 195 F C 2.127 177.901 175.800 -0.045 0.000 1.111 195 F CA 0.096 58.077 58.000 -0.031 0.000 1.359 195 F CB -0.073 38.913 39.000 -0.024 0.000 1.097 195 F HN -0.131 nan 8.300 nan 0.000 0.577 196 K N 0.768 121.234 120.400 0.110 0.000 2.002 196 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 196 K C 1.556 178.178 176.600 0.037 0.000 1.048 196 K CA 2.001 58.333 56.287 0.074 0.000 0.930 196 K CB -0.132 32.403 32.500 0.058 0.000 0.714 196 K HN 0.014 nan 8.250 nan 0.000 0.438 197 D N 0.890 121.318 120.400 0.047 0.000 2.106 197 D HA -0.225 4.415 4.640 -0.000 0.000 0.191 197 D C 1.912 178.087 176.300 -0.208 0.000 0.997 197 D CA 1.908 55.949 54.000 0.069 0.000 0.834 197 D CB -0.287 40.700 40.800 0.312 0.000 0.956 197 D HN 0.599 nan 8.370 nan 0.000 0.448 198 E N 0.597 120.497 120.200 -0.500 0.000 2.106 198 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 198 E C 0.963 177.348 176.600 -0.359 0.000 0.984 198 E CA 0.317 56.183 56.400 -0.890 0.000 0.806 198 E CB -0.158 29.108 29.700 -0.723 0.000 0.750 198 E HN 0.244 nan 8.360 nan 0.000 0.458 199 I N 2.529 123.010 120.570 -0.147 0.000 2.618 199 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 199 I C -0.085 176.014 176.117 -0.030 0.000 1.146 199 I CA -0.270 60.997 61.300 -0.055 0.000 1.425 199 I CB 1.395 39.401 38.000 0.011 0.000 1.383 199 I HN 0.014 nan 8.210 nan 0.000 0.562 200 V N 9.360 129.271 119.914 -0.006 0.000 2.427 200 V HA 0.440 4.560 4.120 -0.000 0.000 0.286 200 V C -2.173 173.965 176.094 0.072 0.000 1.034 200 V CA -2.067 60.250 62.300 0.029 0.000 0.893 200 V CB 1.735 33.576 31.823 0.030 0.000 0.982 200 V HN 0.527 nan 8.190 nan 0.000 0.452 201 P HA 0.185 nan 4.420 nan 0.000 0.268 201 P C -1.321 176.073 177.300 0.157 0.000 1.205 201 P CA 0.262 63.429 63.100 0.111 0.000 0.771 201 P CB 0.216 31.955 31.700 0.065 0.000 0.858 202 F N 3.309 123.292 119.950 0.055 0.000 2.495 202 F HA 0.497 5.024 4.527 -0.000 0.000 0.327 202 F C -0.637 175.204 175.800 0.068 0.000 1.103 202 F CA -1.007 57.008 58.000 0.025 0.000 0.949 202 F CB 1.033 40.003 39.000 -0.050 0.000 1.142 202 F HN 0.085 nan 8.300 nan 0.000 0.457 203 I N 7.227 127.377 120.570 -0.700 0.000 2.307 203 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 203 I C -0.609 175.220 176.117 -0.480 0.000 1.021 203 I CA -0.697 60.353 61.300 -0.417 0.000 1.224 203 I CB 1.043 38.842 38.000 -0.334 0.000 1.376 203 I HN 0.256 nan 8.210 nan 0.000 0.470 204 V N 7.392 127.302 119.914 -0.005 0.000 2.387 204 V HA 0.120 4.240 4.120 -0.000 0.000 0.260 204 V C 0.849 176.962 176.094 0.031 0.000 1.054 204 V CA -0.785 61.606 62.300 0.152 0.000 0.967 204 V CB 0.002 32.001 31.823 0.293 0.000 1.036 204 V HN 0.562 nan 8.190 nan 0.000 0.481 205 K N 4.114 124.512 120.400 -0.004 0.000 2.379 205 K HA 0.440 4.760 4.320 -0.000 0.000 0.284 205 K C 0.455 177.063 176.600 0.012 0.000 1.044 205 K CA 0.156 56.432 56.287 -0.018 0.000 0.974 205 K CB 1.372 33.855 32.500 -0.029 0.000 0.962 205 K HN 0.856 nan 8.250 nan 0.000 0.474 206 G N 1.668 110.471 108.800 0.005 0.000 2.605 206 G HA2 0.268 4.227 3.960 -0.000 0.000 0.296 206 G HA3 0.268 4.227 3.960 -0.000 0.000 0.296 206 G C 0.626 175.528 174.900 0.003 0.000 1.304 206 G CA -0.691 44.415 45.100 0.010 0.000 0.941 206 G HN 0.475 nan 8.290 nan 0.000 0.475 207 R N 0.267 120.769 120.500 0.004 0.000 2.080 207 R HA 0.093 4.433 4.340 -0.000 0.000 0.222 207 R C 0.577 176.877 176.300 -0.000 0.000 1.107 207 R CA 0.655 56.756 56.100 0.002 0.000 0.980 207 R CB -0.068 30.233 30.300 0.003 0.000 0.879 207 R HN 0.409 nan 8.270 nan 0.000 0.439 208 K N 0.891 121.291 120.400 -0.000 0.000 2.981 208 K HA 0.323 4.643 4.320 -0.000 0.000 0.213 208 K C -0.538 176.060 176.600 -0.002 0.000 1.154 208 K CA 0.124 56.410 56.287 -0.002 0.000 1.111 208 K CB 1.243 33.741 32.500 -0.002 0.000 0.975 208 K HN 0.420 nan 8.250 nan 0.000 0.462 209 G N 1.338 110.137 108.800 -0.002 0.000 2.542 209 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.391 209 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.391 209 G C -1.487 173.412 174.900 -0.002 0.000 1.551 209 G CA -1.132 43.966 45.100 -0.003 0.000 0.946 209 G HN 0.061 nan 8.290 nan 0.000 0.662 210 D N 0.493 120.887 120.400 -0.009 0.000 2.414 210 D HA 0.455 5.095 4.640 -0.000 0.000 0.242 210 D C 0.614 176.912 176.300 -0.004 0.000 1.129 210 D CA 0.645 54.637 54.000 -0.014 0.000 0.885 210 D CB 1.417 42.198 40.800 -0.033 0.000 1.198 210 D HN 0.413 nan 8.370 nan 0.000 0.437 211 I N 1.173 121.749 120.570 0.010 0.000 2.466 211 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 211 I C 0.020 176.163 176.117 0.043 0.000 1.026 211 I CA -0.522 60.794 61.300 0.026 0.000 1.078 211 I CB 2.051 40.073 38.000 0.036 0.000 1.249 211 I HN 0.025 nan 8.210 nan 0.000 0.429 212 T N 5.686 120.262 114.554 0.036 0.000 2.743 212 T HA 0.345 4.695 4.350 -0.000 0.000 0.293 212 T C -0.104 174.652 174.700 0.094 0.000 0.945 212 T CA -0.374 61.758 62.100 0.053 0.000 1.030 212 T CB 0.932 69.815 68.868 0.025 0.000 0.912 212 T HN 0.168 nan 8.240 nan 0.000 0.483 213 V N 4.828 124.852 119.914 0.182 0.000 2.350 213 V HA 0.351 4.471 4.120 -0.000 0.000 0.276 213 V C 0.330 176.532 176.094 0.182 0.000 1.028 213 V CA -0.644 61.766 62.300 0.183 0.000 0.860 213 V CB 1.140 33.136 31.823 0.288 0.000 0.990 213 V HN 1.014 nan 8.190 nan 0.000 0.453 214 D N 2.600 123.063 120.400 0.105 0.000 2.602 214 D HA 0.366 5.006 4.640 -0.000 0.000 0.265 214 D C 0.014 176.353 176.300 0.064 0.000 1.454 214 D CA 0.114 54.168 54.000 0.091 0.000 0.795 214 D CB 0.792 41.637 40.800 0.075 0.000 1.140 214 D HN 0.560 nan 8.370 nan 0.000 0.486 215 A N 0.179 123.025 122.820 0.043 0.000 2.371 215 A HA 0.511 4.830 4.320 -0.000 0.000 0.311 215 A C -0.841 176.736 177.584 -0.013 0.000 1.068 215 A CA -0.767 51.287 52.037 0.028 0.000 0.744 215 A CB 1.225 20.251 19.000 0.043 0.000 1.239 215 A HN -0.001 nan 8.150 nan 0.000 0.435 216 D N 2.182 122.552 120.400 -0.050 0.000 2.382 216 D HA 0.105 4.745 4.640 -0.000 0.000 0.259 216 D C 0.930 177.223 176.300 -0.012 0.000 1.224 216 D CA 0.430 54.384 54.000 -0.077 0.000 0.894 216 D CB 1.052 41.733 40.800 -0.199 0.000 1.127 216 D HN 0.769 nan 8.370 nan 0.000 0.487 217 E N 1.624 121.819 120.200 -0.008 0.000 2.472 217 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 217 E C 1.124 177.777 176.600 0.089 0.000 1.033 217 E CA -0.030 56.379 56.400 0.015 0.000 0.886 217 E CB -0.022 29.648 29.700 -0.051 0.000 0.944 217 E HN 0.419 nan 8.360 nan 0.000 0.492 218 Y N 1.794 122.073 120.300 -0.034 0.000 2.475 218 Y HA 0.223 4.772 4.550 -0.000 0.000 0.289 218 Y C 0.567 176.475 175.900 0.014 0.000 1.121 218 Y CA -0.422 57.672 58.100 -0.010 0.000 1.257 218 Y CB 0.298 38.749 38.460 -0.015 0.000 1.026 218 Y HN -0.085 nan 8.280 nan 0.000 0.555 219 I N 4.253 124.839 120.570 0.027 0.000 2.662 219 I HA -0.050 4.120 4.170 -0.000 0.000 0.285 219 I C 0.054 176.192 176.117 0.035 0.000 1.161 219 I CA 0.452 61.741 61.300 -0.018 0.000 1.415 219 I CB 0.221 38.221 38.000 0.001 0.000 1.385 219 I HN 0.100 nan 8.210 nan 0.000 0.552 220 R N 5.174 125.650 120.500 -0.041 0.000 2.265 220 R HA 0.455 4.794 4.340 -0.000 0.000 0.319 220 R C -0.940 175.413 176.300 0.088 0.000 1.006 220 R CA -0.924 55.198 56.100 0.036 0.000 0.880 220 R CB 0.562 30.820 30.300 -0.070 0.000 1.077 220 R HN 0.450 nan 8.270 nan 0.000 0.454 221 H N 1.215 120.255 119.070 -0.050 0.000 2.646 221 H HA 0.261 4.817 4.556 -0.000 0.000 0.325 221 H C 1.136 176.446 175.328 -0.030 0.000 1.075 221 H CA 0.586 56.615 56.048 -0.031 0.000 1.421 221 H CB 1.351 31.100 29.762 -0.022 0.000 1.461 221 H HN 0.999 nan 8.280 nan 0.000 0.525 222 G N 1.972 110.798 108.800 0.043 0.000 2.256 222 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.272 222 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.272 222 G C 0.282 175.183 174.900 0.002 0.000 1.076 222 G CA -0.085 45.026 45.100 0.019 0.000 0.882 222 G HN 0.912 nan 8.290 nan 0.000 0.497 223 A N 0.794 123.605 122.820 -0.015 0.000 2.476 223 A HA 0.640 4.960 4.320 -0.000 0.000 0.275 223 A C 1.057 178.632 177.584 -0.016 0.000 1.133 223 A CA 1.093 53.118 52.037 -0.020 0.000 0.797 223 A CB 0.019 18.997 19.000 -0.036 0.000 1.081 223 A HN 1.768 nan 8.150 nan 0.000 0.510 224 T N 0.802 115.350 114.554 -0.009 0.000 2.929 224 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 224 T C 0.918 175.617 174.700 -0.001 0.000 1.014 224 T CA -0.660 61.437 62.100 -0.005 0.000 1.051 224 T CB 1.121 69.987 68.868 -0.002 0.000 1.028 224 T HN 0.449 nan 8.240 nan 0.000 0.485 225 L N 0.888 122.113 121.223 0.003 0.000 2.131 225 L HA 0.008 4.348 4.340 -0.000 0.000 0.210 225 L C 1.811 178.687 176.870 0.010 0.000 1.092 225 L CA 1.855 56.701 54.840 0.010 0.000 0.759 225 L CB -1.022 41.044 42.059 0.012 0.000 0.903 225 L HN 0.736 nan 8.230 nan 0.000 0.435 226 D N -0.661 119.743 120.400 0.006 0.000 2.103 226 D HA -0.206 4.434 4.640 -0.000 0.000 0.190 226 D C 2.422 178.725 176.300 0.005 0.000 0.997 226 D CA 1.926 55.930 54.000 0.006 0.000 0.833 226 D CB -0.299 40.502 40.800 0.003 0.000 0.961 226 D HN 0.555 nan 8.370 nan 0.000 0.447 227 S N -0.451 115.250 115.700 0.002 0.000 2.399 227 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 227 S C 1.979 176.581 174.600 0.004 0.000 1.022 227 S CA 0.951 59.152 58.200 0.000 0.000 0.983 227 S CB -0.257 62.940 63.200 -0.004 0.000 0.803 227 S HN 0.069 nan 8.310 nan 0.000 0.480 228 M N 2.561 122.166 119.600 0.008 0.000 2.086 228 M HA 0.219 4.699 4.480 -0.000 0.000 0.261 228 M C 2.267 178.579 176.300 0.019 0.000 1.067 228 M CA 1.567 56.877 55.300 0.017 0.000 1.116 228 M CB -0.964 31.650 32.600 0.024 0.000 1.348 228 M HN 0.445 nan 8.290 nan 0.000 0.407 229 A N -0.913 121.917 122.820 0.017 0.000 2.119 229 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 229 A C 1.968 179.559 177.584 0.012 0.000 1.153 229 A CA 1.248 53.295 52.037 0.017 0.000 0.692 229 A CB -0.632 18.378 19.000 0.016 0.000 0.799 229 A HN 0.578 nan 8.150 nan 0.000 0.458 230 K N -0.466 119.939 120.400 0.008 0.000 2.365 230 K HA 0.216 4.536 4.320 -0.000 0.000 0.197 230 K C 0.005 176.606 176.600 0.002 0.000 1.042 230 K CA -0.061 56.229 56.287 0.004 0.000 0.987 230 K CB -0.109 32.392 32.500 0.002 0.000 0.779 230 K HN 0.401 nan 8.250 nan 0.000 0.484 231 L N 2.047 123.272 121.223 0.003 0.000 2.483 231 L HA 0.051 4.391 4.340 -0.000 0.000 0.276 231 L C 0.438 177.305 176.870 -0.006 0.000 1.213 231 L CA -0.092 54.747 54.840 -0.002 0.000 0.843 231 L CB 0.289 42.350 42.059 0.004 0.000 1.107 231 L HN 0.058 nan 8.230 nan 0.000 0.487 232 R N 2.674 123.162 120.500 -0.019 0.000 2.459 232 R HA 0.306 4.646 4.340 -0.000 0.000 0.281 232 R C -2.227 174.049 176.300 -0.042 0.000 1.050 232 R CA -1.561 54.523 56.100 -0.027 0.000 1.055 232 R CB 0.513 30.792 30.300 -0.034 0.000 1.045 232 R HN 0.343 nan 8.270 nan 0.000 0.495 233 P HA -0.070 nan 4.420 nan 0.000 0.266 233 P C -0.555 176.662 177.300 -0.138 0.000 1.193 233 P CA 0.382 63.456 63.100 -0.043 0.000 0.770 233 P CB 0.818 32.510 31.700 -0.013 0.000 0.836 234 A N 1.233 123.893 122.820 -0.266 0.000 2.169 234 A HA 0.186 4.506 4.320 -0.000 0.000 0.210 234 A C 0.825 177.836 177.584 -0.957 0.000 1.168 234 A CA 0.693 52.322 52.037 -0.679 0.000 0.813 234 A CB -0.546 17.863 19.000 -0.986 0.000 0.861 234 A HN 0.522 nan 8.150 nan 0.000 0.481 235 F N -1.242 118.666 119.950 -0.069 0.000 2.856 235 F HA 0.297 4.825 4.527 0.000 0.000 0.338 235 F C -0.024 175.732 175.800 -0.073 0.000 1.005 235 F CA -0.522 57.425 58.000 -0.089 0.000 1.155 235 F CB 0.743 39.662 39.000 -0.136 0.000 1.010 235 F HN 0.089 nan 8.300 nan 0.000 0.587 236 D N -0.227 120.220 120.400 0.078 0.000 2.896 236 D HA 0.305 4.945 4.640 -0.000 0.000 0.241 236 D C 0.368 176.673 176.300 0.008 0.000 1.188 236 D CA -0.360 53.658 54.000 0.031 0.000 0.879 236 D CB 1.854 42.663 40.800 0.016 0.000 1.553 236 D HN -0.278 nan 8.370 nan 0.000 0.515 237 K N 1.247 121.648 120.400 0.002 0.000 2.288 237 K HA 0.008 4.328 4.320 -0.000 0.000 0.201 237 K C 0.667 177.265 176.600 -0.002 0.000 1.048 237 K CA 0.940 57.224 56.287 -0.005 0.000 0.956 237 K CB 0.106 32.605 32.500 -0.003 0.000 0.746 237 K HN 0.559 nan 8.250 nan 0.000 0.461 238 E N -0.471 119.730 120.200 0.002 0.000 2.585 238 E HA 0.232 4.582 4.350 -0.000 0.000 0.206 238 E C 0.523 177.125 176.600 0.004 0.000 1.007 238 E CA -0.387 56.015 56.400 0.002 0.000 1.028 238 E CB 0.593 30.294 29.700 0.002 0.000 1.087 238 E HN 0.102 nan 8.360 nan 0.000 0.455 239 G N 0.303 109.108 108.800 0.008 0.000 2.535 239 G HA2 0.195 4.155 3.960 -0.000 0.000 0.303 239 G HA3 0.195 4.155 3.960 -0.000 0.000 0.303 239 G C 0.278 175.192 174.900 0.024 0.000 1.237 239 G CA -0.116 44.993 45.100 0.017 0.000 0.986 239 G HN 0.083 nan 8.290 nan 0.000 0.494 240 T N -1.645 112.930 114.554 0.033 0.000 2.975 240 T HA 0.231 4.581 4.350 -0.000 0.000 0.257 240 T C 0.378 175.120 174.700 0.071 0.000 1.003 240 T CA 0.003 62.128 62.100 0.041 0.000 0.932 240 T CB 0.043 68.929 68.868 0.031 0.000 1.087 240 T HN 0.180 nan 8.240 nan 0.000 0.512 241 V N 3.352 123.330 119.914 0.107 0.000 2.509 241 V HA 0.628 4.748 4.120 -0.000 0.000 0.284 241 V C 0.632 176.839 176.094 0.189 0.000 1.047 241 V CA -0.292 62.125 62.300 0.195 0.000 0.952 241 V CB 1.259 33.236 31.823 0.257 0.000 0.988 241 V HN 0.650 nan 8.190 nan 0.000 0.469 242 T N 1.141 115.803 114.554 0.180 0.000 2.804 242 T HA 0.666 5.016 4.350 -0.000 0.000 0.290 242 T C 0.979 175.744 174.700 0.109 0.000 1.099 242 T CA -0.011 62.136 62.100 0.079 0.000 1.011 242 T CB 1.841 70.740 68.868 0.052 0.000 1.291 242 T HN 0.654 nan 8.240 nan 0.000 0.523 243 A N 0.128 122.967 122.820 0.032 0.000 1.972 243 A HA 0.216 4.536 4.320 -0.000 0.000 0.219 243 A C 2.218 179.856 177.584 0.091 0.000 1.169 243 A CA 1.982 54.054 52.037 0.059 0.000 0.635 243 A CB -1.514 17.498 19.000 0.019 0.000 0.810 243 A HN 1.172 nan 8.150 nan 0.000 0.446 244 G N 0.122 108.965 108.800 0.071 0.000 2.539 244 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.215 244 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.215 244 G C 0.977 175.931 174.900 0.090 0.000 1.141 244 G CA 0.895 46.031 45.100 0.059 0.000 0.806 244 G HN 0.761 nan 8.290 nan 0.000 0.533 245 N N 0.004 118.779 118.700 0.126 0.000 2.203 245 N HA 0.462 5.202 4.740 -0.000 0.000 0.207 245 N C 0.375 176.003 175.510 0.196 0.000 1.130 245 N CA 0.223 53.370 53.050 0.161 0.000 0.861 245 N CB 0.543 39.123 38.487 0.155 0.000 1.005 245 N HN 0.255 nan 8.380 nan 0.000 0.507 246 A N 0.089 123.025 122.820 0.193 0.000 2.311 246 A HA 0.724 5.044 4.320 -0.000 0.000 0.334 246 A C 0.499 178.101 177.584 0.030 0.000 1.139 246 A CA -0.487 51.611 52.037 0.102 0.000 0.830 246 A CB 0.808 19.969 19.000 0.269 0.000 1.234 246 A HN 0.363 nan 8.150 nan 0.000 0.483 247 S N 0.380 116.009 115.700 -0.119 0.000 2.625 247 S HA 0.667 5.136 4.470 -0.000 0.000 0.262 247 S C 0.601 175.235 174.600 0.057 0.000 1.223 247 S CA 0.075 58.283 58.200 0.013 0.000 0.993 247 S CB 0.491 63.651 63.200 -0.066 0.000 1.051 247 S HN 1.590 nan 8.310 nan 0.000 0.562 248 G N -1.091 107.712 108.800 0.006 0.000 2.820 248 G HA2 0.619 4.579 3.960 -0.000 0.000 0.291 248 G HA3 0.619 4.579 3.960 -0.000 0.000 0.291 248 G C -1.136 173.615 174.900 -0.248 0.000 1.323 248 G CA -1.306 43.701 45.100 -0.155 0.000 1.055 248 G HN 0.735 nan 8.290 nan 0.000 0.520 249 L N 0.625 121.655 121.223 -0.322 0.000 2.289 249 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 249 L C -0.313 176.385 176.870 -0.287 0.000 1.049 249 L CA -0.542 54.066 54.840 -0.387 0.000 0.804 249 L CB 1.242 42.825 42.059 -0.793 0.000 1.195 249 L HN 0.519 nan 8.230 nan 0.000 0.428 250 N N 0.905 119.497 118.700 -0.181 0.000 2.934 250 N HA 0.497 5.237 4.740 -0.000 0.000 0.253 250 N C -1.924 173.579 175.510 -0.012 0.000 1.466 250 N CA -0.915 52.070 53.050 -0.107 0.000 0.858 250 N CB 1.786 40.148 38.487 -0.209 0.000 1.459 250 N HN 0.413 nan 8.380 nan 0.000 0.532 251 D N -0.584 119.843 120.400 0.045 0.000 2.575 251 D HA 0.767 5.407 4.640 -0.000 0.000 0.236 251 D C -0.288 176.072 176.300 0.100 0.000 1.075 251 D CA -0.339 53.715 54.000 0.089 0.000 0.860 251 D CB 2.012 42.937 40.800 0.207 0.000 1.475 251 D HN 0.668 nan 8.370 nan 0.000 0.474 252 G N -0.827 107.957 108.800 -0.027 0.000 2.316 252 G HA2 0.619 4.579 3.960 -0.000 0.000 0.296 252 G HA3 0.619 4.579 3.960 -0.000 0.000 0.296 252 G C -1.979 172.829 174.900 -0.154 0.000 1.399 252 G CA -0.237 44.810 45.100 -0.088 0.000 0.833 252 G HN 0.621 nan 8.290 nan 0.000 0.565 253 A N -1.144 121.575 122.820 -0.168 0.000 2.556 253 A HA 1.155 5.475 4.320 -0.000 0.000 0.294 253 A C -0.291 177.236 177.584 -0.096 0.000 1.091 253 A CA 0.137 52.091 52.037 -0.139 0.000 0.704 253 A CB 1.711 20.607 19.000 -0.174 0.000 1.300 253 A HN 2.642 nan 8.150 nan 0.000 0.406 254 A N -0.395 122.380 122.820 -0.074 0.000 2.555 254 A HA 0.931 5.251 4.320 -0.000 0.000 0.297 254 A C -0.617 176.940 177.584 -0.045 0.000 1.060 254 A CA 0.243 52.249 52.037 -0.051 0.000 0.710 254 A CB 0.802 19.779 19.000 -0.038 0.000 1.282 254 A HN 2.677 nan 8.150 nan 0.000 0.399 255 A N 0.284 123.087 122.820 -0.028 0.000 2.609 255 A HA 1.050 5.370 4.320 -0.000 0.000 0.291 255 A C -0.506 177.079 177.584 0.003 0.000 1.096 255 A CA -0.038 51.984 52.037 -0.026 0.000 0.684 255 A CB 1.186 20.165 19.000 -0.036 0.000 1.282 255 A HN 2.643 nan 8.150 nan 0.000 0.412 256 A N 0.229 123.046 122.820 -0.004 0.000 2.435 256 A HA 0.723 5.043 4.320 -0.000 0.000 0.304 256 A C -1.078 176.507 177.584 0.002 0.000 1.064 256 A CA -0.418 51.630 52.037 0.017 0.000 0.727 256 A CB 1.199 20.209 19.000 0.017 0.000 1.284 256 A HN 1.613 nan 8.150 nan 0.000 0.415 257 L N 3.509 124.742 121.223 0.016 0.000 2.257 257 L HA 0.498 4.838 4.340 -0.000 0.000 0.290 257 L C -1.359 175.514 176.870 0.005 0.000 1.044 257 L CA -0.758 54.086 54.840 0.007 0.000 0.810 257 L CB 0.428 42.497 42.059 0.016 0.000 1.193 257 L HN 0.524 nan 8.230 nan 0.000 0.425 258 L N 6.740 127.961 121.223 -0.004 0.000 2.325 258 L HA 0.632 4.972 4.340 -0.000 0.000 0.278 258 L C 0.044 176.916 176.870 0.002 0.000 1.023 258 L CA -0.354 54.485 54.840 -0.003 0.000 0.811 258 L CB 1.375 43.426 42.059 -0.014 0.000 1.249 258 L HN 0.828 nan 8.230 nan 0.000 0.431 259 M N 0.306 119.910 119.600 0.006 0.000 2.880 259 M HA 0.533 5.013 4.480 -0.000 0.000 0.269 259 M C -0.202 176.105 176.300 0.012 0.000 1.248 259 M CA -0.756 54.550 55.300 0.010 0.000 0.821 259 M CB 2.075 34.681 32.600 0.010 0.000 1.650 259 M HN 0.425 nan 8.290 nan 0.000 0.479 260 S N -0.349 115.359 115.700 0.014 0.000 2.589 260 S HA 0.126 4.596 4.470 -0.000 0.000 0.265 260 S C 0.648 175.257 174.600 0.015 0.000 1.342 260 S CA 0.534 58.744 58.200 0.016 0.000 1.005 260 S CB 1.088 64.298 63.200 0.017 0.000 0.909 260 S HN 0.960 nan 8.310 nan 0.000 0.555 261 E N 1.112 121.322 120.200 0.018 0.000 2.106 261 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 261 E C 2.146 178.755 176.600 0.014 0.000 0.984 261 E CA 1.022 57.432 56.400 0.017 0.000 0.806 261 E CB -0.578 29.135 29.700 0.021 0.000 0.750 261 E HN 0.838 nan 8.360 nan 0.000 0.458 262 A N 0.896 123.725 122.820 0.015 0.000 1.933 262 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 262 A C 2.001 179.591 177.584 0.011 0.000 1.175 262 A CA 1.715 53.760 52.037 0.013 0.000 0.628 262 A CB -0.525 18.483 19.000 0.013 0.000 0.814 262 A HN 0.362 nan 8.150 nan 0.000 0.444 263 E N 0.028 120.235 120.200 0.012 0.000 2.051 263 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 263 E C 2.072 178.677 176.600 0.009 0.000 0.991 263 E CA 1.379 57.785 56.400 0.010 0.000 0.799 263 E CB -0.345 29.362 29.700 0.011 0.000 0.748 263 E HN 0.504 nan 8.360 nan 0.000 0.449 264 A N 0.074 122.899 122.820 0.009 0.000 1.908 264 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 264 A C 2.394 179.981 177.584 0.006 0.000 1.181 264 A CA 1.987 54.028 52.037 0.007 0.000 0.627 264 A CB -0.994 18.010 19.000 0.006 0.000 0.818 264 A HN 0.334 nan 8.150 nan 0.000 0.445 265 S N -0.907 114.798 115.700 0.007 0.000 2.402 265 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 265 S C 2.104 176.708 174.600 0.006 0.000 1.021 265 S CA 1.098 59.302 58.200 0.006 0.000 0.974 265 S CB -0.332 62.872 63.200 0.007 0.000 0.800 265 S HN 0.614 nan 8.310 nan 0.000 0.484 266 R N 0.257 120.761 120.500 0.007 0.000 2.148 266 R HA 0.091 4.431 4.340 -0.000 0.000 0.227 266 R C 2.004 178.308 176.300 0.006 0.000 1.103 266 R CA 1.063 57.167 56.100 0.007 0.000 0.983 266 R CB -0.139 30.166 30.300 0.007 0.000 0.874 266 R HN 0.339 nan 8.270 nan 0.000 0.451 267 R N -0.383 120.120 120.500 0.006 0.000 2.317 267 R HA 0.112 4.452 4.340 -0.000 0.000 0.208 267 R C 0.801 177.104 176.300 0.005 0.000 0.914 267 R CA 0.447 56.551 56.100 0.006 0.000 1.060 267 R CB 0.695 30.999 30.300 0.007 0.000 1.015 267 R HN 0.303 nan 8.270 nan 0.000 0.498 268 G N 1.833 110.635 108.800 0.004 0.000 2.203 268 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.263 268 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.263 268 G C 0.153 175.054 174.900 0.001 0.000 1.012 268 G CA 0.105 45.207 45.100 0.003 0.000 0.749 268 G HN 0.283 nan 8.290 nan 0.000 0.512 269 I N 0.206 120.777 120.570 0.001 0.000 2.395 269 I HA 0.202 4.372 4.170 -0.000 0.000 0.289 269 I C 0.565 176.679 176.117 -0.006 0.000 1.023 269 I CA -0.499 60.801 61.300 -0.001 0.000 1.350 269 I CB 1.379 39.380 38.000 0.001 0.000 1.409 269 I HN -0.054 nan 8.210 nan 0.000 0.507 270 Q N 8.212 128.005 119.800 -0.012 0.000 2.441 270 Q HA 0.359 4.699 4.340 -0.000 0.000 0.234 270 Q C -2.333 173.649 176.000 -0.030 0.000 1.078 270 Q CA -1.915 53.876 55.803 -0.020 0.000 0.907 270 Q CB 0.755 29.479 28.738 -0.024 0.000 1.269 270 Q HN 0.301 nan 8.270 nan 0.000 0.502 271 P HA 0.054 nan 4.420 nan 0.000 0.272 271 P C 0.672 177.941 177.300 -0.051 0.000 1.230 271 P CA -0.540 62.543 63.100 -0.027 0.000 0.788 271 P CB 0.908 32.603 31.700 -0.009 0.000 0.949 272 L N -0.115 121.068 121.223 -0.066 0.000 2.395 272 L HA 0.233 4.573 4.340 -0.000 0.000 0.218 272 L C 1.210 178.049 176.870 -0.053 0.000 1.130 272 L CA 1.364 56.140 54.840 -0.107 0.000 0.826 272 L CB -1.650 40.324 42.059 -0.143 0.000 0.941 272 L HN 0.698 nan 8.230 nan 0.000 0.451 273 G N -0.613 108.177 108.800 -0.015 0.000 2.340 273 G HA2 0.220 4.180 3.960 -0.000 0.000 0.300 273 G HA3 0.220 4.180 3.960 -0.000 0.000 0.300 273 G C -1.287 173.632 174.900 0.031 0.000 1.488 273 G CA -0.919 44.191 45.100 0.018 0.000 0.878 273 G HN -0.015 nan 8.290 nan 0.000 0.618 274 R N 0.231 120.763 120.500 0.053 0.000 2.460 274 R HA 0.663 5.003 4.340 -0.000 0.000 0.303 274 R C -0.313 176.025 176.300 0.064 0.000 0.968 274 R CA -0.870 55.263 56.100 0.055 0.000 0.889 274 R CB 0.895 31.233 30.300 0.064 0.000 1.123 274 R HN 0.413 nan 8.270 nan 0.000 0.455 275 I N 6.271 126.870 120.570 0.049 0.000 2.363 275 I HA 0.005 4.175 4.170 -0.000 0.000 0.292 275 I C 1.448 177.586 176.117 0.035 0.000 1.075 275 I CA -0.250 61.078 61.300 0.046 0.000 1.333 275 I CB 1.508 39.532 38.000 0.041 0.000 1.415 275 I HN 0.627 nan 8.210 nan 0.000 0.502 276 V N 2.591 122.500 119.914 -0.007 0.000 2.795 276 V HA 0.200 4.320 4.120 -0.000 0.000 0.243 276 V C 0.743 176.766 176.094 -0.118 0.000 1.069 276 V CA 1.058 63.311 62.300 -0.078 0.000 1.089 276 V CB 0.122 31.838 31.823 -0.178 0.000 0.756 276 V HN 0.742 nan 8.190 nan 0.000 0.471 277 S N -0.633 115.001 115.700 -0.112 0.000 2.643 277 S HA 0.713 5.182 4.470 -0.000 0.000 0.270 277 S C -1.467 173.210 174.600 0.127 0.000 1.166 277 S CA -0.182 57.988 58.200 -0.049 0.000 0.815 277 S CB 1.896 64.971 63.200 -0.209 0.000 1.139 277 S HN 1.408 nan 8.310 nan 0.000 0.472 278 W N -0.157 121.100 121.300 -0.073 0.000 3.005 278 W HA 0.807 5.467 4.660 -0.000 0.000 0.343 278 W C -1.892 174.612 176.519 -0.025 0.000 1.243 278 W CA -0.794 56.529 57.345 -0.037 0.000 1.186 278 W CB 0.871 30.322 29.460 -0.015 0.000 1.453 278 W HN 1.520 nan 8.180 nan 0.000 0.575 279 A N 1.178 123.885 122.820 -0.188 0.000 2.594 279 A HA 0.636 4.956 4.320 -0.000 0.000 0.296 279 A C -1.679 175.878 177.584 -0.047 0.000 1.061 279 A CA -0.343 51.385 52.037 -0.514 0.000 0.689 279 A CB 1.598 20.402 19.000 -0.326 0.000 1.280 279 A HN 0.806 nan 8.150 nan 0.000 0.406 280 T N 0.592 115.098 114.554 -0.079 0.000 2.886 280 T HA 0.696 5.046 4.350 -0.000 0.000 0.292 280 T C -1.159 173.556 174.700 0.026 0.000 1.012 280 T CA -0.251 61.919 62.100 0.116 0.000 0.982 280 T CB 1.049 70.099 68.868 0.303 0.000 1.018 280 T HN 1.316 nan 8.240 nan 0.000 0.451 281 V N 2.347 122.286 119.914 0.041 0.000 3.078 281 V HA 0.890 5.010 4.120 -0.000 0.000 0.311 281 V C 0.688 176.804 176.094 0.035 0.000 1.138 281 V CA -1.051 61.261 62.300 0.019 0.000 1.007 281 V CB 2.156 33.977 31.823 -0.003 0.000 1.045 281 V HN 1.052 nan 8.190 nan 0.000 0.432 282 G N 0.206 109.019 108.800 0.023 0.000 2.410 282 G HA2 0.760 4.720 3.960 -0.000 0.000 0.330 282 G HA3 0.760 4.720 3.960 -0.000 0.000 0.330 282 G C -0.731 174.177 174.900 0.014 0.000 1.142 282 G CA -0.344 44.769 45.100 0.022 0.000 0.902 282 G HN 1.310 nan 8.290 nan 0.000 0.491 283 V N -1.461 118.462 119.914 0.015 0.000 3.181 283 V HA 0.601 4.720 4.120 -0.000 0.000 0.308 283 V C -0.518 175.578 176.094 0.002 0.000 1.214 283 V CA -1.348 60.960 62.300 0.013 0.000 1.053 283 V CB 1.826 33.666 31.823 0.028 0.000 1.069 283 V HN 0.601 nan 8.190 nan 0.000 0.441 284 D N 2.252 122.653 120.400 0.000 0.000 2.586 284 D HA 0.138 4.778 4.640 -0.000 0.000 0.234 284 D C -1.580 174.724 176.300 0.007 0.000 1.132 284 D CA -0.883 53.113 54.000 -0.006 0.000 0.860 284 D CB 1.766 42.562 40.800 -0.007 0.000 1.159 284 D HN 0.418 nan 8.370 nan 0.000 0.490 285 P HA -0.176 nan 4.420 nan 0.000 0.216 285 P C 1.168 178.501 177.300 0.055 0.000 1.153 285 P CA 1.506 64.656 63.100 0.084 0.000 0.858 285 P CB 0.177 31.986 31.700 0.181 0.000 0.789 286 K N -0.479 119.876 120.400 -0.076 0.000 2.127 286 K HA -0.119 4.200 4.320 -0.000 0.000 0.208 286 K C 1.024 177.598 176.600 -0.043 0.000 1.047 286 K CA 1.744 57.945 56.287 -0.144 0.000 0.927 286 K CB -0.559 31.769 32.500 -0.287 0.000 0.716 286 K HN 0.190 nan 8.250 nan 0.000 0.450 287 V N -0.850 119.053 119.914 -0.019 0.000 2.759 287 V HA 0.138 4.258 4.120 -0.000 0.000 0.342 287 V C 0.925 177.035 176.094 0.027 0.000 1.228 287 V CA -0.496 61.807 62.300 0.005 0.000 1.302 287 V CB 0.060 31.901 31.823 0.030 0.000 1.496 287 V HN 0.154 nan 8.190 nan 0.000 0.628 288 M N 0.628 120.249 119.600 0.036 0.000 2.267 288 M HA 0.190 4.670 4.480 -0.000 0.000 0.263 288 M C 1.803 178.137 176.300 0.056 0.000 1.063 288 M CA 2.457 57.792 55.300 0.059 0.000 1.090 288 M CB -1.345 31.308 32.600 0.089 0.000 1.392 288 M HN 0.302 nan 8.290 nan 0.000 0.422 289 G N 0.271 109.095 108.800 0.040 0.000 2.479 289 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 289 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 289 G C 1.583 176.486 174.900 0.005 0.000 1.115 289 G CA 1.275 46.395 45.100 0.035 0.000 0.757 289 G HN 0.714 nan 8.290 nan 0.000 0.560 290 T N -1.793 112.771 114.554 0.016 0.000 3.118 290 T HA 0.192 4.542 4.350 -0.000 0.000 0.260 290 T C 2.324 177.039 174.700 0.024 0.000 1.139 290 T CA 1.065 63.175 62.100 0.016 0.000 1.085 290 T CB -0.023 68.894 68.868 0.081 0.000 0.934 290 T HN 0.181 nan 8.240 nan 0.000 0.518 291 G N 2.946 111.769 108.800 0.038 0.000 2.574 291 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 291 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 291 G C -0.528 174.400 174.900 0.046 0.000 1.173 291 G CA 0.900 46.028 45.100 0.048 0.000 0.772 291 G HN 0.483 nan 8.290 nan 0.000 0.585 292 P HA -0.025 nan 4.420 nan 0.000 0.223 292 P C 1.744 179.065 177.300 0.034 0.000 1.144 292 P CA 0.590 63.733 63.100 0.073 0.000 0.783 292 P CB -0.014 31.747 31.700 0.101 0.000 0.771 293 I N 0.869 121.432 120.570 -0.011 0.000 2.094 293 I HA -0.109 4.061 4.170 -0.000 0.000 0.234 293 I C -0.340 175.760 176.117 -0.028 0.000 1.063 293 I CA 1.714 62.982 61.300 -0.054 0.000 1.328 293 I CB -2.084 35.891 38.000 -0.041 0.000 1.058 293 I HN 0.007 nan 8.210 nan 0.000 0.400 294 P HA -0.162 nan 4.420 nan 0.000 0.218 294 P C 1.315 178.611 177.300 -0.005 0.000 1.148 294 P CA 1.936 65.032 63.100 -0.007 0.000 0.822 294 P CB -0.044 31.656 31.700 -0.000 0.000 0.784 295 A N 0.051 122.881 122.820 0.016 0.000 1.969 295 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 295 A C 2.381 179.990 177.584 0.042 0.000 1.169 295 A CA 1.834 53.889 52.037 0.029 0.000 0.635 295 A CB -1.239 17.802 19.000 0.068 0.000 0.810 295 A HN 0.200 nan 8.150 nan 0.000 0.445 296 S N -0.721 115.016 115.700 0.061 0.000 2.446 296 S HA -0.009 4.461 4.470 -0.000 0.000 0.225 296 S C 1.983 176.619 174.600 0.060 0.000 1.016 296 S CA 0.593 58.857 58.200 0.107 0.000 0.943 296 S CB -0.147 63.170 63.200 0.195 0.000 0.786 296 S HN 0.592 nan 8.310 nan 0.000 0.508 297 R N 1.400 121.903 120.500 0.006 0.000 2.066 297 R HA 0.024 4.364 4.340 -0.000 0.000 0.232 297 R C 2.284 178.573 176.300 -0.017 0.000 1.131 297 R CA 1.108 57.204 56.100 -0.007 0.000 0.955 297 R CB -0.249 30.035 30.300 -0.026 0.000 0.851 297 R HN 0.080 nan 8.270 nan 0.000 0.432 298 K N 1.313 121.691 120.400 -0.038 0.000 2.057 298 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 298 K C 1.867 178.405 176.600 -0.104 0.000 1.049 298 K CA 1.736 57.977 56.287 -0.077 0.000 0.931 298 K CB -0.515 31.925 32.500 -0.100 0.000 0.714 298 K HN 0.141 nan 8.250 nan 0.000 0.440 299 A N 0.726 123.497 122.820 -0.081 0.000 1.883 299 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 299 A C 2.349 179.865 177.584 -0.113 0.000 1.186 299 A CA 1.805 53.785 52.037 -0.095 0.000 0.624 299 A CB -0.815 18.179 19.000 -0.010 0.000 0.822 299 A HN 0.322 nan 8.150 nan 0.000 0.444 300 L N -0.886 120.319 121.223 -0.030 0.000 2.083 300 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 300 L C 2.677 179.535 176.870 -0.020 0.000 1.083 300 L CA 1.789 56.637 54.840 0.013 0.000 0.752 300 L CB -0.375 41.759 42.059 0.126 0.000 0.899 300 L HN 0.594 nan 8.230 nan 0.000 0.433 301 E N 0.142 120.322 120.200 -0.033 0.000 2.150 301 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 301 E C 2.318 178.869 176.600 -0.081 0.000 0.985 301 E CA 0.866 57.243 56.400 -0.038 0.000 0.814 301 E CB 0.179 29.856 29.700 -0.039 0.000 0.752 301 E HN 0.408 nan 8.360 nan 0.000 0.466 302 R N -0.283 120.137 120.500 -0.132 0.000 2.093 302 R HA 0.036 4.376 4.340 -0.000 0.000 0.224 302 R C 2.271 178.450 176.300 -0.201 0.000 1.101 302 R CA 0.889 56.893 56.100 -0.160 0.000 0.979 302 R CB -0.080 30.099 30.300 -0.201 0.000 0.877 302 R HN 0.083 nan 8.270 nan 0.000 0.441 303 A N 0.261 122.887 122.820 -0.322 0.000 2.119 303 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 303 A C 1.475 178.835 177.584 -0.373 0.000 1.153 303 A CA 1.032 52.727 52.037 -0.570 0.000 0.692 303 A CB -0.384 17.867 19.000 -1.250 0.000 0.799 303 A HN 0.468 nan 8.150 nan 0.000 0.458 304 G N -2.887 105.836 108.800 -0.128 0.000 2.176 304 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 304 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 304 G C -0.274 174.805 174.900 0.298 0.000 1.024 304 G CA 0.337 45.477 45.100 0.067 0.000 0.755 304 G HN 0.382 nan 8.290 nan 0.000 0.507 305 W N 0.331 121.648 121.300 0.027 0.000 2.516 305 W HA 0.698 5.358 4.660 -0.000 0.000 0.343 305 W C 0.667 177.208 176.519 0.037 0.000 1.094 305 W CA -1.739 55.627 57.345 0.035 0.000 1.250 305 W CB 0.841 30.330 29.460 0.047 0.000 1.308 305 W HN -0.006 nan 8.180 nan 0.000 0.588 306 K N 2.009 122.563 120.400 0.257 0.000 2.087 306 K HA 0.258 4.578 4.320 -0.000 0.000 0.255 306 K C 1.367 178.080 176.600 0.189 0.000 0.988 306 K CA -0.813 55.573 56.287 0.165 0.000 0.915 306 K CB 1.539 34.098 32.500 0.097 0.000 1.043 306 K HN 0.240 nan 8.250 nan 0.000 0.457 307 I N 1.565 122.232 120.570 0.162 0.000 2.194 307 I HA -0.251 3.919 4.170 -0.000 0.000 0.246 307 I C 2.079 178.302 176.117 0.178 0.000 1.093 307 I CA 1.999 63.419 61.300 0.201 0.000 1.355 307 I CB -0.951 37.133 38.000 0.141 0.000 1.046 307 I HN 0.963 nan 8.210 nan 0.000 0.413 308 G N 0.234 109.101 108.800 0.112 0.000 2.501 308 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 308 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 308 G C 1.151 176.069 174.900 0.030 0.000 1.114 308 G CA 0.623 45.768 45.100 0.074 0.000 0.757 308 G HN 0.354 nan 8.290 nan 0.000 0.559 309 D N 0.147 120.553 120.400 0.010 0.000 2.269 309 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 309 D C 1.346 177.557 176.300 -0.148 0.000 0.963 309 D CA 0.109 54.041 54.000 -0.114 0.000 0.864 309 D CB -0.033 40.633 40.800 -0.224 0.000 0.936 309 D HN 0.247 nan 8.370 nan 0.000 0.505 310 L N 1.615 122.828 121.223 -0.018 0.000 2.455 310 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 310 L C 1.219 178.063 176.870 -0.044 0.000 1.174 310 L CA 0.018 54.854 54.840 -0.007 0.000 0.869 310 L CB 0.791 42.918 42.059 0.113 0.000 1.130 310 L HN -0.142 nan 8.230 nan 0.000 0.474 311 D N 2.497 122.852 120.400 -0.075 0.000 2.301 311 D HA 0.166 4.806 4.640 -0.000 0.000 0.206 311 D C -0.078 176.182 176.300 -0.067 0.000 0.979 311 D CA 0.773 54.732 54.000 -0.069 0.000 0.874 311 D CB 0.904 41.657 40.800 -0.078 0.000 0.968 311 D HN 0.145 nan 8.370 nan 0.000 0.510 312 L N 0.400 121.579 121.223 -0.073 0.000 2.505 312 L HA 0.302 4.642 4.340 -0.000 0.000 0.259 312 L C -1.630 175.154 176.870 -0.142 0.000 0.952 312 L CA -0.720 54.063 54.840 -0.096 0.000 0.840 312 L CB 2.573 44.597 42.059 -0.058 0.000 1.358 312 L HN -0.342 nan 8.230 nan 0.000 0.409 313 V N 2.806 122.579 119.914 -0.236 0.000 2.686 313 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 313 V C -0.859 175.087 176.094 -0.247 0.000 1.065 313 V CA -0.747 61.342 62.300 -0.352 0.000 0.894 313 V CB 1.965 33.284 31.823 -0.840 0.000 1.004 313 V HN 0.606 nan 8.190 nan 0.000 0.424 314 E N 3.234 123.345 120.200 -0.149 0.000 2.092 314 E HA 0.659 5.009 4.350 -0.000 0.000 0.271 314 E C -0.401 176.170 176.600 -0.047 0.000 0.919 314 E CA -0.265 56.093 56.400 -0.069 0.000 0.760 314 E CB 2.028 31.724 29.700 -0.005 0.000 1.106 314 E HN 0.812 nan 8.360 nan 0.000 0.408 315 A N 4.254 127.061 122.820 -0.022 0.000 2.360 315 A HA 0.278 4.598 4.320 -0.000 0.000 0.309 315 A C 0.041 177.668 177.584 0.071 0.000 1.311 315 A CA -0.818 51.257 52.037 0.063 0.000 0.805 315 A CB 0.148 19.232 19.000 0.140 0.000 1.144 315 A HN 0.499 nan 8.150 nan 0.000 0.486 316 N N 1.912 120.637 118.700 0.043 0.000 2.411 316 N HA 0.024 4.764 4.740 -0.000 0.000 0.261 316 N C -0.158 175.341 175.510 -0.018 0.000 1.248 316 N CA 0.676 53.720 53.050 -0.009 0.000 0.885 316 N CB 0.415 38.869 38.487 -0.055 0.000 1.062 316 N HN 0.619 nan 8.380 nan 0.000 0.471 317 E N 2.816 123.007 120.200 -0.015 0.000 1.932 317 E HA 0.202 4.552 4.350 -0.000 0.000 0.259 317 E C 0.337 176.852 176.600 -0.142 0.000 1.099 317 E CA -0.458 55.955 56.400 0.021 0.000 0.970 317 E CB 0.452 30.260 29.700 0.179 0.000 1.143 317 E HN 0.675 nan 8.360 nan 0.000 0.441 318 A N 3.423 126.121 122.820 -0.203 0.000 1.872 318 A HA 0.025 4.345 4.320 -0.000 0.000 0.214 318 A C 0.283 177.467 177.584 -0.666 0.000 1.187 318 A CA 1.016 52.806 52.037 -0.412 0.000 0.614 318 A CB 0.138 19.031 19.000 -0.178 0.000 0.826 318 A HN 0.432 nan 8.150 nan 0.000 0.442 319 F N -3.961 115.973 119.950 -0.027 0.000 2.601 319 F HA 0.590 5.117 4.527 -0.000 0.000 0.309 319 F C 1.097 176.851 175.800 -0.076 0.000 1.089 319 F CA -0.490 57.502 58.000 -0.013 0.000 0.940 319 F CB 1.600 40.579 39.000 -0.035 0.000 1.273 319 F HN 0.073 nan 8.300 nan 0.000 0.450 320 A N 1.557 124.447 122.820 0.117 0.000 1.917 320 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 320 A C 2.187 179.620 177.584 -0.252 0.000 1.182 320 A CA 2.399 54.374 52.037 -0.102 0.000 0.633 320 A CB -1.107 17.940 19.000 0.079 0.000 0.819 320 A HN 0.918 nan 8.150 nan 0.000 0.448 321 A N -0.012 122.765 122.820 -0.071 0.000 1.902 321 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 321 A C 2.138 179.613 177.584 -0.182 0.000 1.181 321 A CA 2.009 53.979 52.037 -0.110 0.000 0.623 321 A CB -0.551 18.415 19.000 -0.057 0.000 0.818 321 A HN 0.728 nan 8.150 nan 0.000 0.443 322 Q N -0.194 119.534 119.800 -0.120 0.000 2.137 322 Q HA 0.263 4.603 4.340 -0.000 0.000 0.198 322 Q C 1.884 177.749 176.000 -0.224 0.000 0.960 322 Q CA 1.762 57.477 55.803 -0.147 0.000 0.847 322 Q CB -0.903 27.823 28.738 -0.020 0.000 0.915 322 Q HN 0.421 nan 8.270 nan 0.000 0.448 323 A N 0.837 123.506 122.820 -0.250 0.000 1.858 323 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 323 A C 2.393 179.741 177.584 -0.393 0.000 1.190 323 A CA 1.451 53.309 52.037 -0.299 0.000 0.617 323 A CB -1.288 17.459 19.000 -0.422 0.000 0.827 323 A HN 0.611 nan 8.150 nan 0.000 0.443 324 C N -0.866 118.079 119.300 -0.592 0.000 2.401 324 C HA -0.047 4.413 4.460 -0.000 0.000 0.276 324 C C 3.311 178.072 174.990 -0.382 0.000 1.233 324 C CA 0.929 59.700 59.018 -0.411 0.000 1.753 324 C CB -1.512 26.021 27.740 -0.346 0.000 2.029 324 C HN 0.695 nan 8.230 nan 0.000 0.478 325 A N 0.143 122.642 122.820 -0.535 0.000 1.877 325 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 325 A C 2.291 179.307 177.584 -0.946 0.000 1.186 325 A CA 2.172 53.589 52.037 -1.034 0.000 0.620 325 A CB -0.730 17.519 19.000 -1.252 0.000 0.822 325 A HN 0.372 nan 8.150 nan 0.000 0.443 326 V N 0.904 120.502 119.914 -0.527 0.000 2.358 326 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 326 V C 2.253 178.179 176.094 -0.280 0.000 1.047 326 V CA 2.171 64.268 62.300 -0.338 0.000 1.035 326 V CB -1.150 30.598 31.823 -0.126 0.000 0.658 326 V HN 0.542 nan 8.190 nan 0.000 0.452 327 N N 0.352 118.980 118.700 -0.120 0.000 2.104 327 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 327 N C 1.799 177.230 175.510 -0.132 0.000 1.024 327 N CA 1.474 54.539 53.050 0.024 0.000 0.853 327 N CB -0.345 38.243 38.487 0.169 0.000 1.008 327 N HN 0.475 nan 8.380 nan 0.000 0.424 328 K N 0.175 120.455 120.400 -0.200 0.000 2.097 328 K HA -0.093 4.226 4.320 -0.000 0.000 0.205 328 K C 1.408 177.961 176.600 -0.077 0.000 1.050 328 K CA 1.150 57.368 56.287 -0.115 0.000 0.938 328 K CB 0.050 32.489 32.500 -0.100 0.000 0.718 328 K HN 0.078 nan 8.250 nan 0.000 0.442 329 D N 0.222 120.509 120.400 -0.188 0.000 2.149 329 D HA -0.053 4.587 4.640 -0.000 0.000 0.206 329 D C 1.899 178.104 176.300 -0.157 0.000 0.967 329 D CA 0.811 54.799 54.000 -0.021 0.000 0.848 329 D CB 0.161 41.001 40.800 0.067 0.000 0.998 329 D HN 0.157 nan 8.370 nan 0.000 0.474 330 L N -0.059 120.937 121.223 -0.379 0.000 2.141 330 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 330 L C 1.718 178.325 176.870 -0.438 0.000 1.094 330 L CA 0.899 55.397 54.840 -0.570 0.000 0.763 330 L CB -0.424 40.902 42.059 -1.221 0.000 0.908 330 L HN 0.223 nan 8.230 nan 0.000 0.437 331 G N -0.269 108.327 108.800 -0.340 0.000 2.198 331 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 331 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 331 G C -0.185 174.733 174.900 0.031 0.000 1.025 331 G CA 0.208 45.248 45.100 -0.100 0.000 0.769 331 G HN 0.384 nan 8.290 nan 0.000 0.507 332 W N 0.162 121.479 121.300 0.027 0.000 2.184 332 W HA 0.633 5.293 4.660 -0.000 0.000 0.338 332 W C 0.075 176.610 176.519 0.027 0.000 1.257 332 W CA -2.718 54.644 57.345 0.029 0.000 1.243 332 W CB 0.244 29.725 29.460 0.035 0.000 1.122 332 W HN 0.138 nan 8.180 nan 0.000 0.585 333 D N 3.906 124.475 120.400 0.282 0.000 2.451 333 D HA 0.001 4.641 4.640 -0.000 0.000 0.254 333 D C -0.975 175.401 176.300 0.127 0.000 1.204 333 D CA -1.618 52.475 54.000 0.155 0.000 0.896 333 D CB 1.109 41.959 40.800 0.085 0.000 1.136 333 D HN 0.159 nan 8.370 nan 0.000 0.499 334 P HA -0.156 nan 4.420 nan 0.000 0.222 334 P C 1.204 178.521 177.300 0.028 0.000 1.147 334 P CA 0.758 63.923 63.100 0.108 0.000 0.790 334 P CB 0.000 31.780 31.700 0.133 0.000 0.780 335 S N 1.115 116.826 115.700 0.017 0.000 2.399 335 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 335 S C 1.883 176.458 174.600 -0.041 0.000 1.022 335 S CA 1.101 59.293 58.200 -0.013 0.000 0.983 335 S CB -1.607 61.589 63.200 -0.006 0.000 0.803 335 S HN 0.362 nan 8.310 nan 0.000 0.480 336 I N -0.330 120.207 120.570 -0.056 0.000 3.810 336 I HA 0.407 4.576 4.170 -0.000 0.000 0.322 336 I C -0.668 175.354 176.117 -0.158 0.000 1.288 336 I CA -0.444 60.800 61.300 -0.094 0.000 1.143 336 I CB 0.067 38.013 38.000 -0.090 0.000 1.012 336 I HN 0.004 nan 8.210 nan 0.000 0.423 337 V N 2.762 122.585 119.914 -0.151 0.000 2.357 337 V HA 0.340 4.460 4.120 -0.000 0.000 0.284 337 V C -0.178 175.857 176.094 -0.100 0.000 1.018 337 V CA -0.648 61.536 62.300 -0.193 0.000 0.841 337 V CB 0.636 32.338 31.823 -0.202 0.000 0.991 337 V HN 0.524 nan 8.190 nan 0.000 0.437 338 N N 2.823 121.468 118.700 -0.090 0.000 2.714 338 N HA -0.144 4.596 4.740 -0.000 0.000 0.253 338 N C 0.835 176.314 175.510 -0.052 0.000 1.024 338 N CA 0.819 53.842 53.050 -0.045 0.000 0.726 338 N CB -0.989 37.486 38.487 -0.020 0.000 0.908 338 N HN 0.506 nan 8.380 nan 0.000 0.542 339 V N -0.711 119.168 119.914 -0.059 0.000 2.720 339 V HA -0.159 3.961 4.120 -0.000 0.000 0.256 339 V C 1.450 177.502 176.094 -0.072 0.000 1.082 339 V CA 1.518 63.778 62.300 -0.068 0.000 1.101 339 V CB -0.123 31.658 31.823 -0.070 0.000 0.693 339 V HN 0.480 nan 8.190 nan 0.000 0.479 340 N N 0.204 118.872 118.700 -0.052 0.000 2.275 340 N HA 0.383 5.123 4.740 -0.000 0.000 0.236 340 N C 0.663 176.218 175.510 0.074 0.000 1.154 340 N CA 0.922 53.934 53.050 -0.064 0.000 0.866 340 N CB 1.129 39.499 38.487 -0.194 0.000 1.093 340 N HN 0.527 nan 8.380 nan 0.000 0.515 341 G N -1.008 107.806 108.800 0.023 0.000 2.631 341 G HA2 0.155 4.115 3.960 -0.000 0.000 0.504 341 G HA3 0.155 4.115 3.960 -0.000 0.000 0.504 341 G C -0.290 174.630 174.900 0.033 0.000 1.306 341 G CA -0.577 44.533 45.100 0.017 0.000 0.897 341 G HN 0.482 nan 8.290 nan 0.000 0.520 342 G N -2.611 106.196 108.800 0.012 0.000 2.975 342 G HA2 0.816 4.776 3.960 -0.000 0.000 0.291 342 G HA3 0.816 4.776 3.960 -0.000 0.000 0.291 342 G C 1.134 176.057 174.900 0.039 0.000 1.334 342 G CA 1.122 46.242 45.100 0.033 0.000 0.843 342 G HN 2.050 nan 8.290 nan 0.000 0.548 343 A N -0.645 122.191 122.820 0.027 0.000 1.986 343 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 343 A C 2.342 179.972 177.584 0.077 0.000 1.171 343 A CA 1.790 53.836 52.037 0.016 0.000 0.640 343 A CB -0.681 18.260 19.000 -0.098 0.000 0.811 343 A HN 0.554 nan 8.150 nan 0.000 0.451 344 I N -0.457 120.161 120.570 0.080 0.000 2.113 344 I HA -0.374 3.796 4.170 -0.000 0.000 0.242 344 I C 2.955 179.154 176.117 0.138 0.000 1.064 344 I CA 1.524 62.894 61.300 0.117 0.000 1.320 344 I CB -0.317 37.751 38.000 0.114 0.000 1.028 344 I HN 0.396 nan 8.210 nan 0.000 0.406 345 A N 0.220 123.084 122.820 0.074 0.000 1.898 345 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 345 A C 2.239 179.898 177.584 0.125 0.000 1.183 345 A CA 1.221 53.279 52.037 0.034 0.000 0.622 345 A CB -0.544 18.455 19.000 -0.002 0.000 0.824 345 A HN 0.380 nan 8.150 nan 0.000 0.444 346 I N -1.549 119.096 120.570 0.124 0.000 2.585 346 I HA 0.249 4.419 4.170 -0.000 0.000 0.254 346 I C 1.271 177.476 176.117 0.147 0.000 1.129 346 I CA 1.010 62.351 61.300 0.068 0.000 1.455 346 I CB -0.036 37.940 38.000 -0.041 0.000 1.111 346 I HN 0.523 nan 8.210 nan 0.000 0.433 347 G N 0.172 109.065 108.800 0.156 0.000 2.497 347 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 347 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 347 G C -1.081 173.823 174.900 0.006 0.000 1.288 347 G CA -0.748 44.308 45.100 -0.074 0.000 0.899 347 G HN 0.324 nan 8.290 nan 0.000 0.608 348 H N 1.103 120.065 119.070 -0.181 0.000 2.488 348 H HA 0.531 5.087 4.556 -0.000 0.000 0.237 348 H C -2.416 172.841 175.328 -0.118 0.000 1.395 348 H CA -1.934 54.040 56.048 -0.124 0.000 1.491 348 H CB 1.359 31.044 29.762 -0.128 0.000 1.567 348 H HN 0.418 nan 8.280 nan 0.000 0.508 349 P HA 0.069 nan 4.420 nan 0.000 0.268 349 P C 1.351 178.520 177.300 -0.219 0.000 1.541 349 P CA -0.002 63.003 63.100 -0.158 0.000 1.093 349 P CB 0.294 31.950 31.700 -0.073 0.000 1.551 350 I N 2.633 122.960 120.570 -0.404 0.000 3.107 350 I HA -0.390 3.780 4.170 -0.000 0.000 0.193 350 I C 2.518 178.548 176.117 -0.145 0.000 0.855 350 I CA 2.372 63.442 61.300 -0.383 0.000 1.147 350 I CB -1.580 36.258 38.000 -0.269 0.000 0.875 350 I HN 0.320 nan 8.210 nan 0.000 0.338 351 G N -0.506 108.233 108.800 -0.101 0.000 2.479 351 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.220 351 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.220 351 G C 1.600 176.471 174.900 -0.049 0.000 1.115 351 G CA 0.906 45.971 45.100 -0.059 0.000 0.757 351 G HN 0.650 nan 8.290 nan 0.000 0.560 352 A N -0.044 122.743 122.820 -0.055 0.000 2.081 352 A HA 0.309 4.629 4.320 -0.000 0.000 0.214 352 A C 2.520 180.101 177.584 -0.005 0.000 1.158 352 A CA 1.491 53.503 52.037 -0.042 0.000 0.724 352 A CB -0.313 18.652 19.000 -0.058 0.000 0.826 352 A HN 0.253 nan 8.150 nan 0.000 0.463 353 S N -0.053 115.668 115.700 0.036 0.000 2.365 353 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 353 S C 2.053 176.691 174.600 0.064 0.000 1.039 353 S CA 1.637 59.897 58.200 0.100 0.000 1.033 353 S CB -0.518 62.844 63.200 0.271 0.000 0.887 353 S HN 0.758 nan 8.310 nan 0.000 0.447 354 G N 0.469 109.302 108.800 0.055 0.000 2.422 354 G HA2 -0.046 3.913 3.960 -0.000 0.000 0.218 354 G HA3 -0.046 3.913 3.960 -0.000 0.000 0.218 354 G C 1.486 176.401 174.900 0.024 0.000 1.146 354 G CA 0.968 46.092 45.100 0.041 0.000 0.769 354 G HN 0.604 nan 8.290 nan 0.000 0.547 355 A N 0.179 123.002 122.820 0.006 0.000 1.970 355 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 355 A C 2.368 179.958 177.584 0.010 0.000 1.170 355 A CA 1.364 53.400 52.037 -0.001 0.000 0.645 355 A CB -0.334 18.651 19.000 -0.025 0.000 0.816 355 A HN 0.218 nan 8.150 nan 0.000 0.447 356 R N 0.838 121.343 120.500 0.008 0.000 2.082 356 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 356 R C 2.119 178.437 176.300 0.029 0.000 1.136 356 R CA 2.178 58.282 56.100 0.008 0.000 0.935 356 R CB -0.840 29.463 30.300 0.006 0.000 0.842 356 R HN 0.747 nan 8.270 nan 0.000 0.430 357 I N -1.495 119.098 120.570 0.038 0.000 2.361 357 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 357 I C 2.393 178.547 176.117 0.061 0.000 1.133 357 I CA 1.154 62.484 61.300 0.049 0.000 1.413 357 I CB -0.424 37.600 38.000 0.041 0.000 1.073 357 I HN 0.095 nan 8.210 nan 0.000 0.424 358 L N 1.549 122.806 121.223 0.057 0.000 1.989 358 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 358 L C 2.532 179.467 176.870 0.108 0.000 1.071 358 L CA 1.977 56.860 54.840 0.071 0.000 0.749 358 L CB -0.755 41.336 42.059 0.055 0.000 0.890 358 L HN 0.450 nan 8.230 nan 0.000 0.431 359 N N -0.723 118.041 118.700 0.106 0.000 2.036 359 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 359 N C 1.571 177.200 175.510 0.199 0.000 1.037 359 N CA 2.373 55.514 53.050 0.151 0.000 0.855 359 N CB -0.261 38.238 38.487 0.019 0.000 1.033 359 N HN 0.398 nan 8.380 nan 0.000 0.423 360 T N 2.203 116.838 114.554 0.135 0.000 2.665 360 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 360 T C 2.009 176.801 174.700 0.152 0.000 1.035 360 T CA 0.884 63.082 62.100 0.163 0.000 1.151 360 T CB -0.419 68.549 68.868 0.168 0.000 0.862 360 T HN 0.130 nan 8.240 nan 0.000 0.438 361 L N 0.786 122.080 121.223 0.118 0.000 1.994 361 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 361 L C 2.231 179.160 176.870 0.098 0.000 1.071 361 L CA 1.601 56.491 54.840 0.083 0.000 0.745 361 L CB -0.709 41.387 42.059 0.062 0.000 0.892 361 L HN 0.238 nan 8.230 nan 0.000 0.431 362 L N -1.643 119.663 121.223 0.138 0.000 2.012 362 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 362 L C 2.417 179.313 176.870 0.043 0.000 1.073 362 L CA 1.519 56.413 54.840 0.091 0.000 0.748 362 L CB -0.635 41.496 42.059 0.121 0.000 0.891 362 L HN 0.204 nan 8.230 nan 0.000 0.431 363 F N -0.102 119.860 119.950 0.020 0.000 2.259 363 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 363 F C 2.602 178.398 175.800 -0.007 0.000 1.088 363 F CA 1.216 59.224 58.000 0.013 0.000 1.358 363 F CB -0.279 38.737 39.000 0.028 0.000 1.040 363 F HN 0.057 nan 8.300 nan 0.000 0.505 364 E N 0.260 120.543 120.200 0.138 0.000 2.107 364 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 364 E C 2.188 178.792 176.600 0.006 0.000 0.982 364 E CA 1.247 57.673 56.400 0.043 0.000 0.809 364 E CB -0.295 29.414 29.700 0.016 0.000 0.756 364 E HN 0.317 nan 8.360 nan 0.000 0.459 365 M N 0.245 119.848 119.600 0.006 0.000 2.073 365 M HA -0.246 4.234 4.480 -0.000 0.000 0.258 365 M C 2.387 178.666 176.300 -0.035 0.000 1.070 365 M CA 2.144 57.434 55.300 -0.016 0.000 1.103 365 M CB -0.319 32.276 32.600 -0.009 0.000 1.321 365 M HN 0.024 nan 8.290 nan 0.000 0.405 366 K N 0.128 120.493 120.400 -0.059 0.000 2.032 366 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 366 K C 2.081 178.651 176.600 -0.050 0.000 1.048 366 K CA 1.710 57.950 56.287 -0.079 0.000 0.927 366 K CB -0.160 32.245 32.500 -0.157 0.000 0.712 366 K HN 0.183 nan 8.250 nan 0.000 0.441 367 R N 0.846 121.327 120.500 -0.030 0.000 2.082 367 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 367 R C 2.365 178.649 176.300 -0.026 0.000 1.136 367 R CA 2.283 58.372 56.100 -0.019 0.000 0.935 367 R CB -0.194 30.102 30.300 -0.008 0.000 0.842 367 R HN 0.330 nan 8.270 nan 0.000 0.430 368 R N -1.015 119.468 120.500 -0.029 0.000 2.297 368 R HA 0.167 4.507 4.340 -0.000 0.000 0.197 368 R C 0.642 176.923 176.300 -0.033 0.000 0.943 368 R CA 0.751 56.832 56.100 -0.032 0.000 1.038 368 R CB 0.227 30.506 30.300 -0.036 0.000 0.957 368 R HN 0.340 nan 8.270 nan 0.000 0.484 369 G N 0.660 109.439 108.800 -0.034 0.000 2.248 369 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.263 369 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.263 369 G C 0.066 174.944 174.900 -0.037 0.000 1.082 369 G CA -0.009 45.070 45.100 -0.035 0.000 0.863 369 G HN 0.676 nan 8.290 nan 0.000 0.495 370 A N -0.595 122.202 122.820 -0.038 0.000 2.354 370 A HA 0.777 5.097 4.320 -0.000 0.000 0.269 370 A C 1.304 178.862 177.584 -0.043 0.000 1.109 370 A CA 0.444 52.455 52.037 -0.044 0.000 0.800 370 A CB 0.460 19.435 19.000 -0.041 0.000 1.045 370 A HN 0.530 nan 8.150 nan 0.000 0.489 371 R N 0.919 121.382 120.500 -0.063 0.000 2.064 371 R HA 0.056 4.396 4.340 -0.000 0.000 0.221 371 R C -0.162 176.098 176.300 -0.066 0.000 1.136 371 R CA 0.894 56.954 56.100 -0.067 0.000 0.980 371 R CB -0.065 30.173 30.300 -0.103 0.000 0.876 371 R HN 0.639 nan 8.270 nan 0.000 0.437 372 K N 0.779 121.099 120.400 -0.134 0.000 2.358 372 K HA 0.422 4.742 4.320 -0.000 0.000 0.260 372 K C -0.582 176.020 176.600 0.003 0.000 0.956 372 K CA -0.466 55.726 56.287 -0.159 0.000 0.834 372 K CB 2.229 34.329 32.500 -0.667 0.000 1.102 372 K HN 0.130 nan 8.250 nan 0.000 0.431 373 G N 2.106 111.003 108.800 0.162 0.000 2.533 373 G HA2 0.704 4.664 3.960 -0.000 0.000 0.304 373 G HA3 0.704 4.664 3.960 -0.000 0.000 0.304 373 G C -1.792 173.233 174.900 0.208 0.000 1.263 373 G CA -0.677 44.498 45.100 0.126 0.000 0.964 373 G HN 0.484 nan 8.290 nan 0.000 0.479 374 L N 0.607 121.895 121.223 0.108 0.000 2.408 374 L HA 0.843 5.183 4.340 -0.000 0.000 0.268 374 L C -0.211 176.684 176.870 0.042 0.000 0.986 374 L CA -0.803 54.106 54.840 0.115 0.000 0.820 374 L CB 2.059 44.218 42.059 0.167 0.000 1.303 374 L HN 0.760 nan 8.230 nan 0.000 0.411 375 A N 2.760 125.626 122.820 0.076 0.000 2.342 375 A HA 0.811 5.131 4.320 -0.000 0.000 0.323 375 A C -0.626 177.018 177.584 0.100 0.000 1.125 375 A CA -0.385 51.691 52.037 0.064 0.000 0.785 375 A CB 1.763 20.802 19.000 0.065 0.000 1.221 375 A HN 0.637 nan 8.150 nan 0.000 0.463 376 T N 1.333 115.948 114.554 0.102 0.000 2.894 376 T HA 0.657 5.007 4.350 -0.000 0.000 0.309 376 T C -1.713 173.052 174.700 0.108 0.000 1.208 376 T CA -0.311 61.869 62.100 0.133 0.000 1.016 376 T CB 0.589 69.578 68.868 0.202 0.000 1.192 376 T HN 0.601 nan 8.240 nan 0.000 0.491 377 L N 2.763 124.048 121.223 0.103 0.000 2.434 377 L HA 0.694 5.034 4.340 -0.000 0.000 0.260 377 L C 0.271 177.191 176.870 0.085 0.000 0.983 377 L CA -0.923 53.965 54.840 0.080 0.000 0.820 377 L CB 1.814 43.919 42.059 0.077 0.000 1.361 377 L HN 0.969 nan 8.230 nan 0.000 0.410 378 C N 0.457 119.800 119.300 0.072 0.000 2.443 378 C HA 0.859 5.319 4.460 -0.000 0.000 0.369 378 C C 0.010 175.060 174.990 0.100 0.000 1.241 378 C CA -0.895 58.172 59.018 0.082 0.000 2.413 378 C CB -0.014 27.772 27.740 0.077 0.000 2.451 378 C HN 0.639 nan 8.230 nan 0.000 0.595 379 I N 1.568 122.201 120.570 0.105 0.000 2.533 379 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 379 I C 0.945 177.133 176.117 0.119 0.000 1.056 379 I CA -0.332 61.036 61.300 0.113 0.000 1.057 379 I CB 1.594 39.657 38.000 0.105 0.000 1.240 379 I HN 1.056 nan 8.210 nan 0.000 0.423 380 G N 2.774 111.649 108.800 0.125 0.000 2.391 380 G HA2 0.346 4.306 3.960 -0.000 0.000 0.234 380 G HA3 0.346 4.306 3.960 -0.000 0.000 0.234 380 G C 0.993 175.983 174.900 0.150 0.000 1.284 380 G CA 0.679 45.855 45.100 0.128 0.000 0.873 380 G HN 1.269 nan 8.290 nan 0.000 0.549 381 G N 0.066 108.988 108.800 0.203 0.000 2.217 381 G HA2 0.251 4.211 3.960 -0.000 0.000 0.246 381 G HA3 0.251 4.211 3.960 -0.000 0.000 0.246 381 G C 1.206 176.209 174.900 0.173 0.000 0.990 381 G CA 0.874 46.157 45.100 0.305 0.000 0.627 381 G HN 2.812 nan 8.290 nan 0.000 0.522 382 G N -0.771 108.103 108.800 0.124 0.000 2.742 382 G HA2 0.178 4.138 3.960 -0.000 0.000 0.257 382 G HA3 0.178 4.138 3.960 -0.000 0.000 0.257 382 G C -0.202 174.737 174.900 0.065 0.000 1.143 382 G CA 0.743 45.887 45.100 0.075 0.000 1.064 382 G HN 1.179 nan 8.290 nan 0.000 0.529 383 M N -0.671 118.977 119.600 0.080 0.000 2.716 383 M HA 0.756 5.236 4.480 -0.000 0.000 0.278 383 M C 0.346 176.695 176.300 0.080 0.000 1.281 383 M CA -0.389 54.956 55.300 0.076 0.000 0.814 383 M CB 2.517 35.170 32.600 0.088 0.000 1.719 383 M HN 0.697 nan 8.290 nan 0.000 0.457 384 G N 0.189 109.038 108.800 0.082 0.000 2.620 384 G HA2 0.689 4.649 3.960 -0.000 0.000 0.301 384 G HA3 0.689 4.649 3.960 -0.000 0.000 0.301 384 G C -2.249 172.720 174.900 0.114 0.000 1.347 384 G CA -0.590 44.564 45.100 0.089 0.000 0.971 384 G HN 0.568 nan 8.290 nan 0.000 0.488 385 V N 0.373 120.366 119.914 0.131 0.000 2.823 385 V HA 0.952 5.072 4.120 -0.000 0.000 0.312 385 V C -0.452 175.743 176.094 0.168 0.000 1.072 385 V CA -0.078 62.328 62.300 0.176 0.000 0.937 385 V CB 1.759 33.691 31.823 0.182 0.000 1.013 385 V HN 1.714 nan 8.190 nan 0.000 0.430 386 A N 6.390 129.332 122.820 0.204 0.000 2.587 386 A HA 0.925 5.245 4.320 -0.000 0.000 0.293 386 A C -1.167 176.546 177.584 0.215 0.000 1.087 386 A CA -0.597 51.547 52.037 0.179 0.000 0.692 386 A CB 2.079 21.169 19.000 0.150 0.000 1.291 386 A HN 1.318 nan 8.150 nan 0.000 0.407 387 M N 1.314 121.015 119.600 0.169 0.000 2.277 387 M HA 0.494 4.974 4.480 -0.000 0.000 0.282 387 M C -1.939 174.419 176.300 0.097 0.000 1.074 387 M CA -0.233 55.164 55.300 0.161 0.000 0.954 387 M CB 1.535 34.220 32.600 0.143 0.000 1.672 387 M HN 0.716 nan 8.290 nan 0.000 0.471 388 C N 5.521 124.834 119.300 0.022 0.000 2.307 388 C HA 0.670 5.130 4.460 -0.000 0.000 0.340 388 C C -0.239 174.747 174.990 -0.007 0.000 1.275 388 C CA -0.764 58.217 59.018 -0.061 0.000 1.811 388 C CB -0.127 27.336 27.740 -0.462 0.000 2.372 388 C HN 0.590 nan 8.230 nan 0.000 0.531 389 I N 2.993 123.666 120.570 0.172 0.000 2.474 389 I HA 0.483 4.653 4.170 -0.000 0.000 0.294 389 I C -0.037 176.297 176.117 0.360 0.000 1.005 389 I CA -0.320 61.097 61.300 0.195 0.000 1.113 389 I CB 1.530 39.611 38.000 0.136 0.000 1.289 389 I HN 0.717 nan 8.210 nan 0.000 0.436 390 E N 3.212 123.589 120.200 0.294 0.000 2.199 390 E HA 0.452 4.801 4.350 -0.000 0.000 0.269 390 E C -0.485 176.188 176.600 0.122 0.000 0.899 390 E CA -0.495 56.060 56.400 0.259 0.000 0.772 390 E CB 1.734 31.631 29.700 0.329 0.000 1.155 390 E HN 0.677 nan 8.360 nan 0.000 0.408 391 S N 4.025 119.765 115.700 0.067 0.000 2.580 391 S HA 0.348 4.818 4.470 -0.000 0.000 0.274 391 S C 0.372 174.986 174.600 0.025 0.000 1.329 391 S CA -0.774 57.442 58.200 0.027 0.000 1.036 391 S CB 0.520 63.718 63.200 -0.002 0.000 0.919 391 S HN 0.469 nan 8.310 nan 0.000 0.515 392 L N 0.000 121.230 121.223 0.012 0.000 2.949 392 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 392 L CA 0.000 54.846 54.840 0.009 0.000 0.813 392 L CB 0.000 42.063 42.059 0.006 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502