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 2wok_1_A DATA FIRST_RESID 8 DATA SEQUENCE PAPTTAGAGW DAGVGALVNP SRRRGGTLRL VSSADVDSLD PARTYYVWVW DATA SEQUENCE LLQRLLNRTL MAYPTDPGPA GLVPAPDLAE GPGEVSDGGR TWTYRLRRGL DATA SEQUENCE RYDDGTPITS DDVRHAVQRV FAQDVLPGGP TYLIPLLDDP ERPYPGPYRT DATA SEQUENCE DEPLRSVLTP DEHTIVFRLT RPFSDFDHLM AQPCAAPVPR RSDTGADYGR DATA SEQUENCE DPRSSGPYRV ARHEPDTLLH LERNPHWDRA TDPIRPALPD RVELTIGLDV DATA SEQUENCE DVLDARLIAG EFDINLEGRG LQHAAQRRAT ADEVLRSHTD NPRTSFLHFV DATA SEQUENCE AMQPHIPPFD NVHVRRAVQY AADKILLQDA RGGPVNGGDL TTALFPPTLP DATA SEQUENCE AHQDLDLYPT GPDLRGDLDA ARAELAAAGL PDGFRAVIGT QRGKFRLVAD DATA SEQUENCE AVVESLARVG IELTVKELDV ATYFSLGAGH PETVREHGLG LLVTDWGADF DATA SEQUENCE PTEYGFLAPL VDGRQIKRNG GNWNLPELDD PEVNALIDET LHTTDPAARA DATA SEQUENCE ELWRAVERRV MEHAVLLPLV HDKTLHFRNP WVTNVYVHPA FGLYDIQAMG DATA SEQUENCE LAE 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.455 177.300 0.258 0.000 1.155 8 P CA 0.000 63.251 63.100 0.251 0.000 0.800 8 P CB 0.000 31.792 31.700 0.154 0.000 0.726 9 A N 0.276 123.228 122.820 0.221 0.000 1.978 9 A HA 0.001 4.536 4.320 0.358 0.000 0.220 9 A C -0.643 177.035 177.584 0.158 0.000 1.170 9 A CA 2.184 54.209 52.037 -0.020 0.000 0.636 9 A CB -1.925 16.937 19.000 -0.230 0.000 0.810 9 A HN 0.552 nan 8.150 nan 0.000 0.448 10 P HA -0.065 nan 4.420 nan 0.000 0.226 10 P C 1.111 178.516 177.300 0.175 0.000 1.153 10 P CA 1.756 64.975 63.100 0.198 0.000 0.777 10 P CB -0.159 31.619 31.700 0.129 0.000 0.794 11 T N -5.619 109.031 114.554 0.159 0.000 3.054 11 T HA 0.158 4.723 4.350 0.358 0.000 0.255 11 T C 0.391 175.174 174.700 0.139 0.000 1.035 11 T CA -0.093 62.084 62.100 0.128 0.000 0.941 11 T CB -0.699 68.225 68.868 0.093 0.000 1.026 11 T HN 0.080 nan 8.240 nan 0.000 0.533 12 T N 0.031 114.704 114.554 0.198 0.000 2.921 12 T HA 0.788 5.353 4.350 0.358 0.000 0.297 12 T C -0.181 174.673 174.700 0.256 0.000 1.013 12 T CA -0.821 61.394 62.100 0.192 0.000 0.990 12 T CB 1.640 70.616 68.868 0.181 0.000 1.023 12 T HN 0.341 nan 8.240 nan 0.000 0.447 13 A N 2.171 125.062 122.820 0.118 0.000 2.445 13 A HA 0.720 5.255 4.320 0.358 0.000 0.242 13 A C 0.893 178.437 177.584 -0.066 0.000 1.075 13 A CA 0.110 52.135 52.037 -0.019 0.000 0.777 13 A CB -0.232 18.753 19.000 -0.025 0.000 1.013 13 A HN 1.290 nan 8.150 nan 0.000 0.493 14 G N -0.911 107.647 108.800 -0.404 0.000 2.828 14 G HA2 0.519 4.694 3.960 0.358 0.000 0.244 14 G HA3 0.519 4.694 3.960 0.358 0.000 0.244 14 G C 1.005 175.819 174.900 -0.144 0.000 1.365 14 G CA 0.159 45.110 45.100 -0.248 0.000 1.041 14 G HN 1.305 nan 8.290 nan 0.000 0.560 15 A N -1.859 120.907 122.820 -0.091 0.000 2.067 15 A HA 0.488 5.023 4.320 0.358 0.000 0.219 15 A C 1.382 178.941 177.584 -0.042 0.000 1.158 15 A CA 1.830 53.836 52.037 -0.053 0.000 0.661 15 A CB -0.792 18.181 19.000 -0.046 0.000 0.801 15 A HN 2.447 nan 8.150 nan 0.000 0.452 16 G N -3.325 105.443 108.800 -0.054 0.000 2.402 16 G HA2 0.052 4.227 3.960 0.358 0.000 0.666 16 G HA3 0.052 4.227 3.960 0.358 0.000 0.666 16 G C -0.474 174.468 174.900 0.071 0.000 1.402 16 G CA -0.377 44.733 45.100 0.017 0.000 0.920 16 G HN 0.810 nan 8.290 nan 0.000 0.651 17 W N 2.908 124.179 121.300 -0.047 0.000 2.435 17 W HA 0.272 5.149 4.660 0.361 0.000 0.337 17 W C 0.365 176.883 176.519 -0.001 0.000 1.300 17 W CA 1.947 59.281 57.345 -0.018 0.000 1.298 17 W CB 0.139 29.594 29.460 -0.009 0.000 1.217 17 W HN 0.903 nan 8.180 nan 0.000 0.565 18 D N 2.342 122.428 120.400 -0.524 0.000 3.079 18 D HA -0.243 4.612 4.640 0.358 0.000 0.214 18 D C 1.376 177.603 176.300 -0.122 0.000 1.145 18 D CA 1.419 55.196 54.000 -0.371 0.000 0.958 18 D CB -1.337 39.291 40.800 -0.287 0.000 1.117 18 D HN 0.471 nan 8.370 nan 0.000 0.416 19 A N 0.059 122.833 122.820 -0.076 0.000 2.019 19 A HA 0.172 4.707 4.320 0.358 0.000 0.219 19 A C 2.239 179.815 177.584 -0.012 0.000 1.164 19 A CA 1.883 53.904 52.037 -0.028 0.000 0.644 19 A CB -0.254 18.730 19.000 -0.027 0.000 0.805 19 A HN 0.391 nan 8.150 nan 0.000 0.449 20 G N -1.123 107.675 108.800 -0.002 0.000 3.141 20 G HA2 0.377 4.552 3.960 0.358 0.000 0.218 20 G HA3 0.377 4.552 3.960 0.358 0.000 0.218 20 G C -0.015 174.951 174.900 0.109 0.000 1.170 20 G CA 0.185 45.327 45.100 0.069 0.000 0.769 20 G HN 0.204 nan 8.290 nan 0.000 0.546 21 V N 1.009 120.947 119.914 0.040 0.000 2.304 21 V HA 0.597 4.932 4.120 0.358 0.000 0.269 21 V C 1.208 177.318 176.094 0.027 0.000 1.036 21 V CA 0.390 62.709 62.300 0.032 0.000 0.840 21 V CB 0.341 32.147 31.823 -0.028 0.000 1.036 21 V HN 0.540 nan 8.190 nan 0.000 0.466 22 G N 3.843 112.670 108.800 0.045 0.000 2.159 22 G HA2 0.064 4.239 3.960 0.358 0.000 0.256 22 G HA3 0.064 4.239 3.960 0.358 0.000 0.256 22 G C 0.150 175.049 174.900 -0.002 0.000 0.977 22 G CA 0.309 45.419 45.100 0.016 0.000 0.652 22 G HN 1.619 nan 8.290 nan 0.000 0.531 23 A N -1.502 121.326 122.820 0.014 0.000 2.599 23 A HA 0.869 5.404 4.320 0.358 0.000 0.290 23 A C -1.251 176.339 177.584 0.010 0.000 1.101 23 A CA -0.250 51.778 52.037 -0.015 0.000 0.674 23 A CB 1.370 20.364 19.000 -0.011 0.000 1.277 23 A HN 1.538 nan 8.150 nan 0.000 0.419 24 L N 0.932 122.137 121.223 -0.029 0.000 2.295 24 L HA 0.693 5.248 4.340 0.358 0.000 0.285 24 L C -0.788 176.080 176.870 -0.004 0.000 1.035 24 L CA -0.331 54.505 54.840 -0.006 0.000 0.806 24 L CB 1.590 43.600 42.059 -0.082 0.000 1.214 24 L HN 0.480 nan 8.230 nan 0.000 0.426 25 V N 5.904 125.816 119.914 -0.003 0.000 2.439 25 V HA 0.300 4.635 4.120 0.358 0.000 0.282 25 V C 0.650 176.721 176.094 -0.039 0.000 1.039 25 V CA -0.433 61.844 62.300 -0.038 0.000 0.913 25 V CB 1.008 32.783 31.823 -0.081 0.000 0.983 25 V HN 0.972 nan 8.190 nan 0.000 0.460 26 N N 3.019 121.701 118.700 -0.029 0.000 2.708 26 N HA -0.103 4.852 4.740 0.358 0.000 0.255 26 N C -2.391 173.115 175.510 -0.007 0.000 1.046 26 N CA -0.349 52.690 53.050 -0.019 0.000 0.715 26 N CB 0.014 38.481 38.487 -0.033 0.000 0.895 26 N HN 0.481 nan 8.380 nan 0.000 0.545 27 P HA 0.085 nan 4.420 nan 0.000 0.268 27 P C -0.598 176.710 177.300 0.012 0.000 1.205 27 P CA 0.391 63.493 63.100 0.003 0.000 0.771 27 P CB 1.778 33.475 31.700 -0.004 0.000 0.858 28 S N 2.053 117.765 115.700 0.021 0.000 2.543 28 S HA 0.380 5.065 4.470 0.358 0.000 0.274 28 S C -0.046 174.576 174.600 0.037 0.000 1.149 28 S CA -0.744 57.473 58.200 0.028 0.000 0.866 28 S CB 1.186 64.405 63.200 0.032 0.000 1.111 28 S HN 0.368 nan 8.310 nan 0.000 0.457 29 R N 1.110 121.632 120.500 0.038 0.000 2.543 29 R HA 0.257 4.812 4.340 0.358 0.000 0.323 29 R C 0.420 176.750 176.300 0.049 0.000 1.002 29 R CA -0.454 55.674 56.100 0.047 0.000 1.106 29 R CB 0.454 30.779 30.300 0.042 0.000 1.280 29 R HN 0.352 nan 8.270 nan 0.000 0.549 30 R N 2.169 122.696 120.500 0.046 0.000 2.316 30 R HA 0.148 4.703 4.340 0.358 0.000 0.314 30 R C -0.578 175.754 176.300 0.054 0.000 1.069 30 R CA 0.178 56.305 56.100 0.045 0.000 0.959 30 R CB 0.434 30.758 30.300 0.040 0.000 0.987 30 R HN 0.073 nan 8.270 nan 0.000 0.446 31 R N 1.678 122.210 120.500 0.054 0.000 2.573 31 R HA 0.595 5.150 4.340 0.358 0.000 0.272 31 R C -0.121 176.212 176.300 0.055 0.000 1.009 31 R CA 0.078 56.217 56.100 0.064 0.000 1.059 31 R CB 1.620 31.961 30.300 0.069 0.000 1.112 31 R HN 0.935 nan 8.270 nan 0.000 0.517 32 G N -0.375 108.462 108.800 0.062 0.000 2.392 32 G HA2 0.346 4.521 3.960 0.358 0.000 0.677 32 G HA3 0.346 4.521 3.960 0.358 0.000 0.677 32 G C -0.356 174.573 174.900 0.048 0.000 1.334 32 G CA -0.425 44.705 45.100 0.050 0.000 0.961 32 G HN 0.999 nan 8.290 nan 0.000 0.616 33 G N -1.643 107.177 108.800 0.035 0.000 2.756 33 G HA2 0.432 4.607 3.960 0.358 0.000 0.678 33 G HA3 0.432 4.607 3.960 0.358 0.000 0.678 33 G C -0.240 174.676 174.900 0.026 0.000 1.349 33 G CA 0.460 45.574 45.100 0.024 0.000 0.847 33 G HN 1.922 nan 8.290 nan 0.000 0.548 34 T N 0.936 115.497 114.554 0.013 0.000 2.770 34 T HA 0.506 5.071 4.350 0.358 0.000 0.283 34 T C 0.145 174.858 174.700 0.022 0.000 0.988 34 T CA -0.306 61.796 62.100 0.004 0.000 0.957 34 T CB 1.453 70.308 68.868 -0.022 0.000 0.930 34 T HN 0.941 nan 8.240 nan 0.000 0.443 35 L N 4.999 126.229 121.223 0.011 0.000 2.313 35 L HA 0.405 4.960 4.340 0.358 0.000 0.282 35 L C 0.089 176.988 176.870 0.049 0.000 1.092 35 L CA 0.002 54.859 54.840 0.029 0.000 0.831 35 L CB 0.085 42.131 42.059 -0.023 0.000 1.159 35 L HN 0.500 nan 8.230 nan 0.000 0.442 36 R N 6.444 127.009 120.500 0.109 0.000 2.215 36 R HA 0.516 5.071 4.340 0.358 0.000 0.337 36 R C -1.007 175.419 176.300 0.211 0.000 1.010 36 R CA -0.413 55.788 56.100 0.168 0.000 0.871 36 R CB 0.568 30.977 30.300 0.183 0.000 1.134 36 R HN 0.615 nan 8.270 nan 0.000 0.477 37 L N 2.261 123.574 121.223 0.151 0.000 2.334 37 L HA 0.708 5.263 4.340 0.358 0.000 0.270 37 L C -0.339 176.509 176.870 -0.036 0.000 1.018 37 L CA -1.193 53.684 54.840 0.062 0.000 0.811 37 L CB 1.901 43.970 42.059 0.016 0.000 1.271 37 L HN 0.254 nan 8.230 nan 0.000 0.443 38 V N 0.491 120.285 119.914 -0.200 0.000 3.007 38 V HA 0.759 5.094 4.120 0.358 0.000 0.311 38 V C -1.041 174.816 176.094 -0.393 0.000 1.120 38 V CA -0.098 61.931 62.300 -0.451 0.000 0.980 38 V CB 2.487 33.731 31.823 -0.965 0.000 1.033 38 V HN 0.815 nan 8.190 nan 0.000 0.429 39 S N 1.713 117.165 115.700 -0.413 0.000 2.537 39 S HA 0.438 5.123 4.470 0.358 0.000 0.270 39 S C 0.653 175.039 174.600 -0.358 0.000 1.142 39 S CA 0.135 58.042 58.200 -0.488 0.000 0.870 39 S CB 1.990 64.787 63.200 -0.671 0.000 1.112 39 S HN 1.524 nan 8.310 nan 0.000 0.466 40 S N 2.200 117.694 115.700 -0.343 0.000 2.496 40 S HA 0.483 5.168 4.470 0.358 0.000 0.224 40 S C 0.627 175.142 174.600 -0.142 0.000 0.996 40 S CA 0.326 58.394 58.200 -0.220 0.000 0.927 40 S CB -0.104 62.978 63.200 -0.198 0.000 0.774 40 S HN 1.149 nan 8.310 nan 0.000 0.524 41 A N 0.812 123.541 122.820 -0.151 0.000 2.413 41 A HA 0.654 5.189 4.320 0.358 0.000 0.307 41 A C -0.772 176.938 177.584 0.210 0.000 1.087 41 A CA -0.661 51.405 52.037 0.047 0.000 0.750 41 A CB 1.076 20.142 19.000 0.109 0.000 1.296 41 A HN 0.209 nan 8.150 nan 0.000 0.423 42 D N 0.458 121.039 120.400 0.302 0.000 2.360 42 D HA 0.345 5.200 4.640 0.358 0.000 0.242 42 D C 0.767 177.427 176.300 0.600 0.000 1.184 42 D CA 0.166 54.405 54.000 0.397 0.000 0.930 42 D CB 1.299 42.270 40.800 0.285 0.000 1.161 42 D HN 0.668 nan 8.370 nan 0.000 0.447 43 V N 0.533 120.720 119.914 0.455 0.000 3.032 43 V HA 0.072 4.407 4.120 0.358 0.000 0.307 43 V C 1.107 177.220 176.094 0.032 0.000 1.097 43 V CA -0.043 62.321 62.300 0.107 0.000 1.191 43 V CB 0.593 32.358 31.823 -0.096 0.000 0.964 43 V HN 0.602 nan 8.190 nan 0.000 0.494 44 D N 1.233 121.463 120.400 -0.283 0.000 2.194 44 D HA 0.083 4.938 4.640 0.358 0.000 0.204 44 D C 0.902 177.095 176.300 -0.179 0.000 0.964 44 D CA 1.247 55.027 54.000 -0.368 0.000 0.846 44 D CB 0.107 40.379 40.800 -0.880 0.000 0.962 44 D HN 0.762 nan 8.370 nan 0.000 0.490 45 S N -1.682 113.915 115.700 -0.172 0.000 2.552 45 S HA 0.415 5.100 4.470 0.358 0.000 0.272 45 S C -0.583 173.942 174.600 -0.124 0.000 1.150 45 S CA -0.783 57.358 58.200 -0.098 0.000 0.849 45 S CB 0.703 63.868 63.200 -0.058 0.000 1.113 45 S HN 0.085 nan 8.310 nan 0.000 0.458 46 L N 1.631 122.785 121.223 -0.116 0.000 2.640 46 L HA 0.350 4.905 4.340 0.358 0.000 0.230 46 L C 0.368 177.193 176.870 -0.075 0.000 1.123 46 L CA -0.009 54.754 54.840 -0.128 0.000 0.900 46 L CB 0.141 42.090 42.059 -0.184 0.000 1.146 46 L HN 0.573 nan 8.230 nan 0.000 0.484 47 D N 1.935 122.328 120.400 -0.011 0.000 2.343 47 D HA 0.066 4.921 4.640 0.358 0.000 0.255 47 D C -1.436 174.900 176.300 0.061 0.000 1.187 47 D CA -1.928 52.136 54.000 0.107 0.000 0.875 47 D CB 1.680 42.578 40.800 0.163 0.000 1.136 47 D HN -0.051 nan 8.370 nan 0.000 0.469 48 P HA -0.101 nan 4.420 nan 0.000 0.222 48 P C 0.749 178.003 177.300 -0.077 0.000 1.147 48 P CA 0.596 63.682 63.100 -0.022 0.000 0.790 48 P CB 0.266 31.967 31.700 0.001 0.000 0.780 49 A N -0.042 122.767 122.820 -0.019 0.000 2.169 49 A HA 0.047 4.582 4.320 0.358 0.000 0.212 49 A C 1.997 179.564 177.584 -0.029 0.000 1.153 49 A CA 0.338 52.345 52.037 -0.050 0.000 0.756 49 A CB -0.539 18.445 19.000 -0.027 0.000 0.813 49 A HN 0.110 nan 8.150 nan 0.000 0.471 50 R N -0.761 119.738 120.500 -0.002 0.000 2.509 50 R HA 0.132 4.687 4.340 0.358 0.000 0.300 50 R C -0.041 176.265 176.300 0.010 0.000 0.985 50 R CA 0.183 56.294 56.100 0.018 0.000 1.092 50 R CB 0.445 30.764 30.300 0.033 0.000 1.237 50 R HN 0.271 nan 8.270 nan 0.000 0.546 51 T N -1.407 113.155 114.554 0.014 0.000 2.867 51 T HA 0.248 4.813 4.350 0.358 0.000 0.282 51 T C -0.158 174.709 174.700 0.278 0.000 1.000 51 T CA -0.270 61.869 62.100 0.066 0.000 1.042 51 T CB 1.197 70.103 68.868 0.062 0.000 0.973 51 T HN 0.235 nan 8.240 nan 0.000 0.465 52 Y N 2.312 122.683 120.300 0.118 0.000 2.423 52 Y HA 0.347 5.115 4.550 0.363 0.000 0.257 52 Y C -0.157 175.618 175.900 -0.209 0.000 1.087 52 Y CA -0.678 57.472 58.100 0.083 0.000 1.258 52 Y CB 0.646 39.130 38.460 0.040 0.000 1.237 52 Y HN 0.576 nan 8.280 nan 0.000 0.517 53 Y N 0.991 121.225 120.300 -0.111 0.000 2.620 53 Y HA -0.044 4.720 4.550 0.356 0.000 0.330 53 Y C 1.499 177.135 175.900 -0.439 0.000 1.186 53 Y CA -0.438 57.485 58.100 -0.295 0.000 1.467 53 Y CB 0.303 38.409 38.460 -0.590 0.000 1.262 53 Y HN -0.147 nan 8.280 nan 0.000 0.550 54 V N 4.263 124.094 119.914 -0.138 0.000 2.324 54 V HA -0.352 3.983 4.120 0.358 0.000 0.250 54 V C 2.155 178.335 176.094 0.143 0.000 1.060 54 V CA 2.263 64.516 62.300 -0.080 0.000 1.042 54 V CB -0.667 31.208 31.823 0.086 0.000 0.650 54 V HN 0.986 nan 8.190 nan 0.000 0.450 55 W N -0.282 121.064 121.300 0.077 0.000 2.467 55 W HA 0.013 4.888 4.660 0.358 0.000 0.275 55 W C 1.758 178.343 176.519 0.111 0.000 1.239 55 W CA 1.034 58.408 57.345 0.050 0.000 1.266 55 W CB -1.260 28.189 29.460 -0.019 0.000 1.112 55 W HN 0.190 nan 8.180 nan 0.000 0.576 56 V N 0.728 120.405 119.914 -0.395 0.000 2.453 56 V HA -0.253 4.082 4.120 0.358 0.000 0.247 56 V C 2.272 178.443 176.094 0.129 0.000 1.048 56 V CA 1.989 64.122 62.300 -0.278 0.000 1.049 56 V CB -1.052 30.492 31.823 -0.465 0.000 0.672 56 V HN 0.084 nan 8.190 nan 0.000 0.457 57 W N 0.049 121.308 121.300 -0.069 0.000 2.342 57 W HA -0.093 4.789 4.660 0.370 0.000 0.297 57 W C 2.282 178.793 176.519 -0.013 0.000 1.213 57 W CA 0.717 58.085 57.345 0.038 0.000 1.251 57 W CB -1.182 28.398 29.460 0.199 0.000 1.136 57 W HN 0.182 nan 8.180 nan 0.000 0.526 58 L N -0.660 120.636 121.223 0.122 0.000 2.046 58 L HA -0.221 4.334 4.340 0.358 0.000 0.208 58 L C 2.424 179.248 176.870 -0.077 0.000 1.077 58 L CA 0.923 55.651 54.840 -0.188 0.000 0.747 58 L CB -1.035 40.895 42.059 -0.215 0.000 0.896 58 L HN -0.026 nan 8.230 nan 0.000 0.432 59 L N -0.516 120.718 121.223 0.017 0.000 2.083 59 L HA -0.222 4.333 4.340 0.358 0.000 0.209 59 L C 2.577 179.437 176.870 -0.017 0.000 1.083 59 L CA 1.676 56.521 54.840 0.009 0.000 0.752 59 L CB -0.644 41.447 42.059 0.053 0.000 0.899 59 L HN 0.247 nan 8.230 nan 0.000 0.433 60 Q N -0.237 119.559 119.800 -0.006 0.000 2.291 60 Q HA -0.186 4.369 4.340 0.358 0.000 0.206 60 Q C 2.262 178.249 176.000 -0.021 0.000 0.976 60 Q CA 1.191 56.979 55.803 -0.024 0.000 0.875 60 Q CB -0.210 28.491 28.738 -0.062 0.000 0.927 60 Q HN 0.572 nan 8.270 nan 0.000 0.450 61 R N -0.233 120.252 120.500 -0.025 0.000 2.237 61 R HA -0.081 4.474 4.340 0.358 0.000 0.219 61 R C 1.916 178.206 176.300 -0.016 0.000 1.080 61 R CA 0.548 56.638 56.100 -0.018 0.000 0.995 61 R CB -0.051 30.224 30.300 -0.041 0.000 0.875 61 R HN 0.114 nan 8.270 nan 0.000 0.462 62 L N -0.466 120.740 121.223 -0.028 0.000 2.209 62 L HA -0.025 4.530 4.340 0.358 0.000 0.207 62 L C 1.880 178.778 176.870 0.047 0.000 1.094 62 L CA 1.268 56.108 54.840 0.000 0.000 0.790 62 L CB -0.055 41.940 42.059 -0.106 0.000 0.932 62 L HN 0.102 nan 8.230 nan 0.000 0.447 63 L N -1.661 119.574 121.223 0.020 0.000 2.298 63 L HA 0.127 4.682 4.340 0.358 0.000 0.209 63 L C -0.072 176.823 176.870 0.043 0.000 1.084 63 L CA 0.374 55.235 54.840 0.035 0.000 0.816 63 L CB 0.071 42.139 42.059 0.016 0.000 0.967 63 L HN 0.245 nan 8.230 nan 0.000 0.460 64 N N -1.006 117.714 118.700 0.033 0.000 2.308 64 N HA 0.392 5.347 4.740 0.358 0.000 0.283 64 N C -1.076 174.460 175.510 0.043 0.000 1.105 64 N CA -0.702 52.382 53.050 0.057 0.000 0.840 64 N CB 1.872 40.392 38.487 0.054 0.000 1.633 64 N HN -0.076 nan 8.380 nan 0.000 0.476 65 R N 0.027 120.566 120.500 0.065 0.000 2.607 65 R HA 0.685 5.240 4.340 0.358 0.000 0.261 65 R C -0.198 176.108 176.300 0.010 0.000 1.051 65 R CA -0.665 55.466 56.100 0.053 0.000 1.110 65 R CB 1.121 31.476 30.300 0.092 0.000 1.158 65 R HN 0.645 nan 8.270 nan 0.000 0.543 66 T N -2.656 111.885 114.554 -0.022 0.000 2.838 66 T HA 0.310 4.875 4.350 0.358 0.000 0.292 66 T C 1.126 175.771 174.700 -0.092 0.000 1.113 66 T CA -0.977 61.077 62.100 -0.077 0.000 1.008 66 T CB 0.851 69.639 68.868 -0.133 0.000 1.259 66 T HN 0.364 nan 8.240 nan 0.000 0.520 67 L N -0.605 120.522 121.223 -0.161 0.000 2.012 67 L HA 0.062 4.617 4.340 0.358 0.000 0.210 67 L C 0.873 177.665 176.870 -0.131 0.000 1.073 67 L CA 1.261 55.992 54.840 -0.181 0.000 0.748 67 L CB -0.281 41.516 42.059 -0.437 0.000 0.891 67 L HN 0.452 nan 8.230 nan 0.000 0.431 68 M N -1.069 118.415 119.600 -0.193 0.000 2.535 68 M HA 0.606 5.301 4.480 0.358 0.000 0.314 68 M C -0.616 175.553 176.300 -0.219 0.000 1.153 68 M CA -0.468 54.733 55.300 -0.165 0.000 0.924 68 M CB 1.671 34.157 32.600 -0.191 0.000 1.710 68 M HN -0.064 nan 8.290 nan 0.000 0.451 69 A N 1.566 124.264 122.820 -0.205 0.000 2.572 69 A HA 0.753 5.288 4.320 0.358 0.000 0.295 69 A C -1.785 175.669 177.584 -0.216 0.000 1.072 69 A CA -0.676 51.248 52.037 -0.189 0.000 0.691 69 A CB 0.997 19.985 19.000 -0.021 0.000 1.291 69 A HN 0.695 nan 8.150 nan 0.000 0.404 70 Y N 2.098 122.464 120.300 0.109 0.000 2.620 70 Y HA 0.273 5.039 4.550 0.360 0.000 0.330 70 Y C -1.529 174.525 175.900 0.257 0.000 1.186 70 Y CA -0.619 57.598 58.100 0.195 0.000 1.467 70 Y CB 0.157 38.761 38.460 0.240 0.000 1.262 70 Y HN 0.469 nan 8.280 nan 0.000 0.550 71 P HA 0.020 nan 4.420 nan 0.000 0.274 71 P C -0.552 176.981 177.300 0.388 0.000 1.246 71 P CA -0.449 62.821 63.100 0.283 0.000 0.795 71 P CB 0.644 32.449 31.700 0.176 0.000 1.006 72 T N 1.899 116.610 114.554 0.260 0.000 3.176 72 T HA 0.220 4.785 4.350 0.358 0.000 0.301 72 T C -0.298 174.394 174.700 -0.012 0.000 1.115 72 T CA 0.532 62.788 62.100 0.260 0.000 1.027 72 T CB -0.963 68.032 68.868 0.212 0.000 1.063 72 T HN 0.367 nan 8.240 nan 0.000 0.669 73 D N 3.174 123.511 120.400 -0.105 0.000 2.861 73 D HA 0.215 5.070 4.640 0.358 0.000 0.216 73 D C -2.149 173.942 176.300 -0.348 0.000 1.323 73 D CA -1.883 51.962 54.000 -0.259 0.000 0.917 73 D CB 2.528 43.288 40.800 -0.066 0.000 1.582 73 D HN 0.047 nan 8.370 nan 0.000 0.576 74 P HA 0.131 nan 4.420 nan 0.000 0.229 74 P C 0.753 178.005 177.300 -0.079 0.000 1.160 74 P CA 0.246 63.241 63.100 -0.176 0.000 0.777 74 P CB 0.622 32.217 31.700 -0.176 0.000 0.814 75 G N 0.867 109.611 108.800 -0.094 0.000 2.532 75 G HA2 0.289 4.464 3.960 0.358 0.000 0.291 75 G HA3 0.289 4.464 3.960 0.358 0.000 0.291 75 G C -1.684 173.199 174.900 -0.030 0.000 1.349 75 G CA -1.296 43.774 45.100 -0.049 0.000 1.038 75 G HN -0.132 nan 8.290 nan 0.000 0.518 76 P HA -0.140 nan 4.420 nan 0.000 0.217 76 P C 1.949 179.269 177.300 0.033 0.000 1.148 76 P CA 2.077 65.178 63.100 0.002 0.000 0.834 76 P CB 0.126 31.825 31.700 -0.002 0.000 0.783 77 A N -0.413 122.426 122.820 0.031 0.000 2.121 77 A HA -0.023 4.512 4.320 0.358 0.000 0.218 77 A C 2.357 180.008 177.584 0.112 0.000 1.154 77 A CA 1.609 53.682 52.037 0.061 0.000 0.679 77 A CB -1.682 17.341 19.000 0.039 0.000 0.795 77 A HN 0.293 nan 8.150 nan 0.000 0.458 78 G N -0.357 108.499 108.800 0.092 0.000 2.498 78 G HA2 -0.066 4.109 3.960 0.358 0.000 0.219 78 G HA3 -0.066 4.109 3.960 0.358 0.000 0.219 78 G C 1.269 176.400 174.900 0.384 0.000 1.119 78 G CA 0.808 46.018 45.100 0.184 0.000 0.766 78 G HN 0.491 nan 8.290 nan 0.000 0.552 79 L N 0.377 121.755 121.223 0.258 0.000 2.558 79 L HA 0.162 4.717 4.340 0.358 0.000 0.225 79 L C 0.174 177.299 176.870 0.424 0.000 1.128 79 L CA -0.141 54.876 54.840 0.295 0.000 0.868 79 L CB 0.292 42.440 42.059 0.147 0.000 1.006 79 L HN -0.068 nan 8.230 nan 0.000 0.454 80 V N 1.071 121.165 119.914 0.300 0.000 2.333 80 V HA 0.273 4.608 4.120 0.358 0.000 0.274 80 V C -2.145 173.969 176.094 0.033 0.000 1.028 80 V CA -1.767 60.630 62.300 0.161 0.000 0.851 80 V CB 0.870 32.758 31.823 0.108 0.000 1.000 80 V HN -0.037 nan 8.190 nan 0.000 0.456 81 P HA 0.231 nan 4.420 nan 0.000 0.265 81 P C -0.428 176.772 177.300 -0.166 0.000 1.193 81 P CA 0.410 63.253 63.100 -0.429 0.000 0.765 81 P CB 0.630 31.952 31.700 -0.630 0.000 0.823 82 A N 5.074 127.824 122.820 -0.116 0.000 2.356 82 A HA 0.729 5.264 4.320 0.358 0.000 0.323 82 A C -2.615 174.963 177.584 -0.010 0.000 1.119 82 A CA -2.157 49.868 52.037 -0.020 0.000 0.790 82 A CB 0.400 19.415 19.000 0.025 0.000 1.273 82 A HN 0.310 nan 8.150 nan 0.000 0.452 83 P HA 0.154 nan 4.420 nan 0.000 0.267 83 P C -0.519 176.800 177.300 0.031 0.000 1.205 83 P CA 0.444 63.571 63.100 0.045 0.000 0.765 83 P CB 1.060 32.796 31.700 0.061 0.000 0.828 84 D N 2.212 122.626 120.400 0.023 0.000 3.013 84 D HA 0.072 4.927 4.640 0.358 0.000 0.235 84 D C 1.597 177.916 176.300 0.030 0.000 1.540 84 D CA 0.305 54.322 54.000 0.029 0.000 1.303 84 D CB -0.456 40.352 40.800 0.013 0.000 0.980 84 D HN 0.122 nan 8.370 nan 0.000 0.250 85 L N 0.899 122.132 121.223 0.018 0.000 2.217 85 L HA 0.274 4.829 4.340 0.358 0.000 0.211 85 L C 1.131 178.022 176.870 0.034 0.000 1.107 85 L CA 0.404 55.255 54.840 0.018 0.000 0.783 85 L CB -0.337 41.726 42.059 0.006 0.000 0.919 85 L HN 0.075 nan 8.230 nan 0.000 0.442 86 A N -0.082 122.771 122.820 0.056 0.000 2.351 86 A HA 0.102 4.637 4.320 0.358 0.000 0.257 86 A C 1.058 178.693 177.584 0.086 0.000 1.087 86 A CA -0.309 51.797 52.037 0.115 0.000 0.798 86 A CB 0.368 19.506 19.000 0.230 0.000 1.033 86 A HN 0.265 nan 8.150 nan 0.000 0.488 87 E N 0.559 120.808 120.200 0.081 0.000 2.285 87 E HA 0.121 4.686 4.350 0.358 0.000 0.194 87 E C 0.876 177.507 176.600 0.052 0.000 0.997 87 E CA 0.763 57.189 56.400 0.044 0.000 0.845 87 E CB 0.208 29.921 29.700 0.022 0.000 0.782 87 E HN 0.772 nan 8.360 nan 0.000 0.491 88 G N 1.048 109.899 108.800 0.084 0.000 2.682 88 G HA2 0.393 4.568 3.960 0.358 0.000 0.290 88 G HA3 0.393 4.568 3.960 0.358 0.000 0.290 88 G C -3.031 171.940 174.900 0.118 0.000 1.425 88 G CA -1.205 43.938 45.100 0.071 0.000 0.807 88 G HN -0.231 nan 8.290 nan 0.000 0.482 89 P HA 0.280 nan 4.420 nan 0.000 0.270 89 P C 0.768 178.090 177.300 0.036 0.000 1.223 89 P CA 0.120 63.297 63.100 0.129 0.000 0.785 89 P CB 0.518 32.267 31.700 0.081 0.000 0.923 90 G N 1.386 110.203 108.800 0.027 0.000 2.265 90 G HA2 0.011 4.186 3.960 0.358 0.000 0.240 90 G HA3 0.011 4.186 3.960 0.358 0.000 0.240 90 G C -0.495 174.215 174.900 -0.317 0.000 1.270 90 G CA -0.275 44.546 45.100 -0.466 0.000 0.901 90 G HN 0.455 nan 8.290 nan 0.000 0.507 91 E N 0.801 120.774 120.200 -0.380 0.000 2.167 91 E HA 0.337 4.902 4.350 0.358 0.000 0.284 91 E C -0.326 175.982 176.600 -0.487 0.000 1.016 91 E CA -0.574 55.626 56.400 -0.333 0.000 0.817 91 E CB 1.867 31.440 29.700 -0.211 0.000 1.080 91 E HN 0.207 nan 8.360 nan 0.000 0.397 92 V N 3.207 122.762 119.914 -0.599 0.000 2.394 92 V HA 0.382 4.717 4.120 0.358 0.000 0.282 92 V C 0.141 175.982 176.094 -0.422 0.000 1.031 92 V CA -0.400 61.427 62.300 -0.788 0.000 0.881 92 V CB 0.989 32.231 31.823 -0.969 0.000 0.982 92 V HN 0.828 nan 8.190 nan 0.000 0.451 93 S N 1.847 117.345 115.700 -0.336 0.000 2.740 93 S HA 0.579 5.264 4.470 0.358 0.000 0.300 93 S C -0.649 173.872 174.600 -0.132 0.000 1.147 93 S CA -0.743 57.345 58.200 -0.187 0.000 0.871 93 S CB 1.753 64.871 63.200 -0.136 0.000 1.173 93 S HN 0.700 nan 8.310 nan 0.000 0.510 94 D N 0.434 120.785 120.400 -0.082 0.000 2.697 94 D HA -0.116 4.739 4.640 0.358 0.000 0.235 94 D C 1.055 177.336 176.300 -0.032 0.000 1.167 94 D CA 1.684 55.656 54.000 -0.047 0.000 0.656 94 D CB -1.801 38.983 40.800 -0.027 0.000 1.025 94 D HN 1.736 nan 8.370 nan 0.000 0.419 95 G N -0.996 107.778 108.800 -0.043 0.000 2.179 95 G HA2 -0.028 4.147 3.960 0.358 0.000 0.257 95 G HA3 -0.028 4.147 3.960 0.358 0.000 0.257 95 G C 1.154 176.075 174.900 0.034 0.000 1.010 95 G CA 0.986 46.077 45.100 -0.015 0.000 0.736 95 G HN 1.684 nan 8.290 nan 0.000 0.513 96 G N -1.643 107.155 108.800 -0.003 0.000 2.159 96 G HA2 -0.248 3.927 3.960 0.358 0.000 0.227 96 G HA3 -0.248 3.927 3.960 0.358 0.000 0.227 96 G C 0.945 175.995 174.900 0.250 0.000 0.986 96 G CA 1.055 46.217 45.100 0.103 0.000 0.651 96 G HN 0.883 nan 8.290 nan 0.000 0.523 97 R N -0.271 120.303 120.500 0.123 0.000 2.173 97 R HA 0.168 4.723 4.340 0.358 0.000 0.208 97 R C 0.313 176.698 176.300 0.141 0.000 1.035 97 R CA 1.320 57.505 56.100 0.140 0.000 1.004 97 R CB 0.252 30.598 30.300 0.076 0.000 0.917 97 R HN 0.351 nan 8.270 nan 0.000 0.462 98 T N 0.040 114.626 114.554 0.054 0.000 2.812 98 T HA 0.305 4.870 4.350 0.358 0.000 0.282 98 T C -1.403 173.270 174.700 -0.045 0.000 0.990 98 T CA -0.452 61.680 62.100 0.052 0.000 0.960 98 T CB 1.263 70.127 68.868 -0.007 0.000 0.948 98 T HN 0.082 nan 8.240 nan 0.000 0.438 99 W N 2.033 123.280 121.300 -0.087 0.000 2.538 99 W HA 0.522 5.395 4.660 0.355 0.000 0.322 99 W C -0.058 176.477 176.519 0.027 0.000 1.028 99 W CA -0.524 56.772 57.345 -0.082 0.000 1.228 99 W CB 1.501 30.880 29.460 -0.135 0.000 1.356 99 W HN 0.432 nan 8.180 nan 0.000 0.452 100 T N 3.263 117.816 114.554 -0.002 0.000 2.823 100 T HA 0.548 5.113 4.350 0.358 0.000 0.279 100 T C -1.289 173.320 174.700 -0.151 0.000 0.998 100 T CA -0.515 61.599 62.100 0.023 0.000 0.994 100 T CB 0.903 69.758 68.868 -0.022 0.000 0.960 100 T HN 0.078 nan 8.240 nan 0.000 0.448 101 Y N 1.315 121.746 120.300 0.218 0.000 2.499 101 Y HA 0.579 5.349 4.550 0.366 0.000 0.347 101 Y C 0.449 176.420 175.900 0.118 0.000 0.987 101 Y CA -1.376 56.835 58.100 0.185 0.000 1.044 101 Y CB 1.541 40.148 38.460 0.246 0.000 1.245 101 Y HN 0.266 nan 8.280 nan 0.000 0.461 102 R N 3.202 123.849 120.500 0.246 0.000 2.310 102 R HA 0.435 4.990 4.340 0.358 0.000 0.324 102 R C -1.141 175.248 176.300 0.148 0.000 0.955 102 R CA -0.678 55.517 56.100 0.159 0.000 0.830 102 R CB 1.424 31.778 30.300 0.090 0.000 1.154 102 R HN 0.689 nan 8.270 nan 0.000 0.458 103 L N 3.612 124.925 121.223 0.150 0.000 2.397 103 L HA 0.277 4.832 4.340 0.358 0.000 0.271 103 L C 0.992 177.880 176.870 0.031 0.000 1.148 103 L CA -0.315 54.597 54.840 0.119 0.000 0.825 103 L CB 0.531 42.694 42.059 0.173 0.000 1.117 103 L HN 0.342 nan 8.230 nan 0.000 0.456 104 R N 2.820 123.318 120.500 -0.004 0.000 2.756 104 R HA 0.122 4.677 4.340 0.358 0.000 0.264 104 R C -0.298 175.921 176.300 -0.135 0.000 1.026 104 R CA -0.114 55.940 56.100 -0.076 0.000 1.121 104 R CB 0.371 30.640 30.300 -0.052 0.000 0.999 104 R HN 0.534 nan 8.270 nan 0.000 0.449 105 R N 0.592 120.948 120.500 -0.240 0.000 2.573 105 R HA 0.297 4.852 4.340 0.358 0.000 0.272 105 R C 0.728 176.978 176.300 -0.084 0.000 1.009 105 R CA -0.058 55.875 56.100 -0.278 0.000 1.059 105 R CB 1.045 31.100 30.300 -0.409 0.000 1.112 105 R HN 0.907 nan 8.270 nan 0.000 0.517 106 G N 0.847 109.650 108.800 0.005 0.000 2.155 106 G HA2 -0.263 3.912 3.960 0.358 0.000 0.257 106 G HA3 -0.263 3.912 3.960 0.358 0.000 0.257 106 G C 0.162 175.047 174.900 -0.026 0.000 0.983 106 G CA 0.089 45.187 45.100 -0.004 0.000 0.676 106 G HN 0.385 nan 8.290 nan 0.000 0.528 107 L N -0.178 121.024 121.223 -0.036 0.000 2.436 107 L HA 0.678 5.233 4.340 0.358 0.000 0.265 107 L C 0.818 177.624 176.870 -0.107 0.000 1.168 107 L CA -0.538 54.258 54.840 -0.073 0.000 0.815 107 L CB 0.621 42.630 42.059 -0.084 0.000 1.109 107 L HN 0.068 nan 8.230 nan 0.000 0.462 108 R N 1.098 121.527 120.500 -0.118 0.000 2.771 108 R HA 0.436 4.991 4.340 0.358 0.000 0.274 108 R C -1.114 175.091 176.300 -0.158 0.000 0.987 108 R CA -0.893 55.132 56.100 -0.125 0.000 0.908 108 R CB 1.699 31.985 30.300 -0.024 0.000 1.213 108 R HN 0.359 nan 8.270 nan 0.000 0.468 109 Y N 0.957 121.278 120.300 0.035 0.000 2.282 109 Y HA -0.048 4.731 4.550 0.382 0.000 0.335 109 Y C 2.034 177.977 175.900 0.071 0.000 1.335 109 Y CA -0.002 58.135 58.100 0.062 0.000 1.529 109 Y CB 0.648 39.134 38.460 0.043 0.000 1.429 109 Y HN 0.664 nan 8.280 nan 0.000 0.563 110 D N -0.159 120.428 120.400 0.313 0.000 2.263 110 D HA -0.189 4.666 4.640 0.358 0.000 0.208 110 D C 0.685 177.127 176.300 0.237 0.000 0.971 110 D CA 1.395 55.556 54.000 0.269 0.000 0.867 110 D CB -0.399 40.516 40.800 0.192 0.000 0.929 110 D HN 0.753 nan 8.370 nan 0.000 0.492 111 D N -0.680 119.796 120.400 0.126 0.000 2.328 111 D HA 0.127 4.982 4.640 0.358 0.000 0.221 111 D C 1.674 177.882 176.300 -0.153 0.000 1.072 111 D CA 0.579 54.600 54.000 0.036 0.000 0.850 111 D CB -0.230 40.591 40.800 0.034 0.000 0.922 111 D HN 0.335 nan 8.370 nan 0.000 0.516 112 G N 0.408 108.929 108.800 -0.465 0.000 2.184 112 G HA2 -0.286 3.889 3.960 0.358 0.000 0.264 112 G HA3 -0.286 3.889 3.960 0.358 0.000 0.264 112 G C 0.501 175.238 174.900 -0.271 0.000 0.975 112 G CA 0.719 45.299 45.100 -0.868 0.000 0.642 112 G HN 0.803 nan 8.290 nan 0.000 0.536 113 T N -0.320 114.202 114.554 -0.053 0.000 2.904 113 T HA 0.648 5.213 4.350 0.358 0.000 0.290 113 T C -2.089 172.683 174.700 0.119 0.000 1.018 113 T CA -1.369 60.764 62.100 0.055 0.000 1.075 113 T CB 2.493 71.420 68.868 0.099 0.000 0.986 113 T HN 0.152 nan 8.240 nan 0.000 0.523 114 P HA 0.320 nan 4.420 nan 0.000 0.275 114 P C -0.430 176.901 177.300 0.051 0.000 1.228 114 P CA -0.477 62.644 63.100 0.035 0.000 0.786 114 P CB 0.497 32.216 31.700 0.031 0.000 0.927 115 I N 2.441 122.938 120.570 -0.122 0.000 2.342 115 I HA 0.264 4.649 4.170 0.358 0.000 0.291 115 I C 1.204 177.323 176.117 0.003 0.000 1.010 115 I CA 0.049 61.264 61.300 -0.141 0.000 1.308 115 I CB 0.994 38.799 38.000 -0.326 0.000 1.400 115 I HN 0.405 nan 8.210 nan 0.000 0.488 116 T N 0.234 114.817 114.554 0.048 0.000 2.864 116 T HA 0.236 4.801 4.350 0.358 0.000 0.289 116 T C 0.960 175.675 174.700 0.025 0.000 1.082 116 T CA -0.221 61.883 62.100 0.008 0.000 1.009 116 T CB 1.623 70.466 68.868 -0.042 0.000 1.234 116 T HN 0.575 nan 8.240 nan 0.000 0.526 117 S N 0.053 115.749 115.700 -0.006 0.000 2.399 117 S HA -0.152 4.533 4.470 0.358 0.000 0.231 117 S C 1.288 175.889 174.600 0.001 0.000 1.022 117 S CA 1.382 59.587 58.200 0.008 0.000 0.983 117 S CB -0.888 62.306 63.200 -0.011 0.000 0.803 117 S HN 0.724 nan 8.310 nan 0.000 0.480 118 D N 2.240 122.633 120.400 -0.011 0.000 2.182 118 D HA -0.080 4.775 4.640 0.358 0.000 0.201 118 D C 1.345 177.671 176.300 0.044 0.000 0.986 118 D CA 1.316 55.313 54.000 -0.005 0.000 0.847 118 D CB -0.431 40.355 40.800 -0.024 0.000 0.942 118 D HN 0.486 nan 8.370 nan 0.000 0.467 119 D N -0.531 119.914 120.400 0.075 0.000 2.234 119 D HA -0.053 4.802 4.640 0.358 0.000 0.205 119 D C 2.230 178.611 176.300 0.136 0.000 0.962 119 D CA 0.233 54.312 54.000 0.132 0.000 0.855 119 D CB -0.068 40.862 40.800 0.218 0.000 0.951 119 D HN 0.130 nan 8.370 nan 0.000 0.500 120 V N 0.872 120.847 119.914 0.102 0.000 2.379 120 V HA -0.157 4.178 4.120 0.358 0.000 0.245 120 V C 2.541 178.695 176.094 0.100 0.000 1.044 120 V CA 1.259 63.617 62.300 0.097 0.000 1.036 120 V CB -0.436 31.447 31.823 0.099 0.000 0.664 120 V HN 0.069 nan 8.190 nan 0.000 0.453 121 R N -0.287 120.247 120.500 0.056 0.000 2.083 121 R HA -0.259 4.296 4.340 0.358 0.000 0.237 121 R C 2.437 178.760 176.300 0.037 0.000 1.137 121 R CA 2.259 58.368 56.100 0.015 0.000 0.951 121 R CB -0.461 29.806 30.300 -0.055 0.000 0.851 121 R HN 0.669 nan 8.270 nan 0.000 0.434 122 H N -0.067 118.985 119.070 -0.030 0.000 2.352 122 H HA -0.037 4.732 4.556 0.355 0.000 0.299 122 H C 1.735 177.042 175.328 -0.034 0.000 1.097 122 H CA 2.106 58.127 56.048 -0.046 0.000 1.311 122 H CB -0.254 29.473 29.762 -0.058 0.000 1.377 122 H HN 0.385 nan 8.280 nan 0.000 0.504 123 A N -0.189 122.616 122.820 -0.025 0.000 1.883 123 A HA -0.154 4.381 4.320 0.358 0.000 0.217 123 A C 2.718 180.264 177.584 -0.062 0.000 1.186 123 A CA 1.925 53.917 52.037 -0.075 0.000 0.624 123 A CB -1.015 17.982 19.000 -0.004 0.000 0.822 123 A HN 0.332 nan 8.150 nan 0.000 0.444 124 V N -0.079 119.846 119.914 0.019 0.000 2.343 124 V HA -0.313 4.022 4.120 0.358 0.000 0.247 124 V C 2.638 178.834 176.094 0.171 0.000 1.051 124 V CA 2.220 64.584 62.300 0.107 0.000 1.036 124 V CB -0.933 31.021 31.823 0.219 0.000 0.654 124 V HN 0.637 nan 8.190 nan 0.000 0.451 125 Q N -0.360 119.458 119.800 0.030 0.000 2.096 125 Q HA -0.228 4.327 4.340 0.358 0.000 0.204 125 Q C 2.491 178.554 176.000 0.105 0.000 0.982 125 Q CA 1.634 57.464 55.803 0.044 0.000 0.850 125 Q CB -0.255 28.434 28.738 -0.083 0.000 0.901 125 Q HN 0.582 nan 8.270 nan 0.000 0.422 126 R N -0.046 120.359 120.500 -0.159 0.000 2.103 126 R HA -0.155 4.400 4.340 0.358 0.000 0.242 126 R C 2.297 178.611 176.300 0.024 0.000 1.142 126 R CA 1.463 57.454 56.100 -0.183 0.000 0.960 126 R CB -0.565 29.588 30.300 -0.244 0.000 0.858 126 R HN 0.113 nan 8.270 nan 0.000 0.439 127 V N 0.537 120.498 119.914 0.078 0.000 2.439 127 V HA -0.265 4.070 4.120 0.358 0.000 0.253 127 V C 1.780 177.903 176.094 0.049 0.000 1.074 127 V CA 1.755 64.083 62.300 0.047 0.000 1.076 127 V CB -0.569 31.251 31.823 -0.004 0.000 0.664 127 V HN 0.200 nan 8.190 nan 0.000 0.461 128 F N 0.424 120.391 119.950 0.028 0.000 2.502 128 F HA 0.210 4.950 4.527 0.356 0.000 0.298 128 F C 1.860 177.655 175.800 -0.009 0.000 1.111 128 F CA 0.541 58.569 58.000 0.045 0.000 1.445 128 F CB -0.436 38.654 39.000 0.150 0.000 1.081 128 F HN 0.080 nan 8.300 nan 0.000 0.558 129 A N 0.581 123.489 122.820 0.147 0.000 3.063 129 A HA 0.105 4.640 4.320 0.358 0.000 0.263 129 A C 1.446 179.098 177.584 0.113 0.000 1.736 129 A CA -0.182 51.929 52.037 0.124 0.000 1.408 129 A CB -0.477 18.643 19.000 0.199 0.000 1.108 129 A HN 0.171 nan 8.150 nan 0.000 0.621 130 Q N 0.801 120.645 119.800 0.073 0.000 2.436 130 Q HA -0.135 4.419 4.340 0.358 0.000 0.209 130 Q C 0.929 176.963 176.000 0.056 0.000 0.965 130 Q CA 1.354 57.188 55.803 0.052 0.000 0.910 130 Q CB 0.047 28.800 28.738 0.025 0.000 0.980 130 Q HN 0.976 nan 8.270 nan 0.000 0.491 131 D N -0.914 119.523 120.400 0.062 0.000 2.277 131 D HA -0.070 4.785 4.640 0.358 0.000 0.208 131 D C 1.567 177.896 176.300 0.049 0.000 0.962 131 D CA 0.490 54.520 54.000 0.050 0.000 0.865 131 D CB -0.027 40.800 40.800 0.045 0.000 0.939 131 D HN 0.069 nan 8.370 nan 0.000 0.510 132 V N -0.284 119.672 119.914 0.072 0.000 3.307 132 V HA 0.163 4.498 4.120 0.358 0.000 0.244 132 V C 1.458 177.588 176.094 0.060 0.000 1.196 132 V CA 0.212 62.539 62.300 0.046 0.000 1.132 132 V CB 0.512 32.353 31.823 0.030 0.000 0.875 132 V HN 0.102 nan 8.190 nan 0.000 0.468 133 L N 2.480 123.758 121.223 0.092 0.000 3.186 133 L HA 0.344 4.898 4.340 0.358 0.000 0.292 133 L C -2.437 174.473 176.870 0.068 0.000 1.303 133 L CA -1.099 53.794 54.840 0.087 0.000 0.940 133 L CB 0.688 42.815 42.059 0.114 0.000 1.358 133 L HN 0.224 nan 8.230 nan 0.000 0.581 134 P HA 0.251 nan 4.420 nan 0.000 0.274 134 P C 0.739 178.083 177.300 0.074 0.000 1.231 134 P CA 0.577 63.717 63.100 0.065 0.000 0.790 134 P CB 1.873 33.609 31.700 0.061 0.000 0.951 135 G N -0.030 108.834 108.800 0.106 0.000 2.738 135 G HA2 -0.002 4.173 3.960 0.358 0.000 0.195 135 G HA3 -0.002 4.173 3.960 0.358 0.000 0.195 135 G C 0.262 175.294 174.900 0.220 0.000 1.001 135 G CA 0.022 45.204 45.100 0.137 0.000 0.759 135 G HN 0.892 nan 8.290 nan 0.000 0.494 136 G N -0.114 108.769 108.800 0.138 0.000 2.932 136 G HA2 0.760 4.935 3.960 0.358 0.000 0.283 136 G HA3 0.760 4.935 3.960 0.358 0.000 0.283 136 G C -2.948 171.949 174.900 -0.005 0.000 1.336 136 G CA -1.277 43.826 45.100 0.005 0.000 1.056 136 G HN 0.124 nan 8.290 nan 0.000 0.522 137 P HA 0.217 nan 4.420 nan 0.000 0.271 137 P C 0.374 177.685 177.300 0.018 0.000 1.218 137 P CA -0.026 63.089 63.100 0.024 0.000 0.780 137 P CB 1.043 32.858 31.700 0.193 0.000 0.901 138 T N -2.960 111.559 114.554 -0.059 0.000 3.231 138 T HA 0.178 4.742 4.350 0.358 0.000 0.292 138 T C 0.861 175.465 174.700 -0.160 0.000 1.001 138 T CA -0.049 61.972 62.100 -0.131 0.000 0.920 138 T CB -1.006 67.781 68.868 -0.135 0.000 1.140 138 T HN 0.109 nan 8.240 nan 0.000 0.525 139 Y N 1.431 121.732 120.300 0.001 0.000 2.241 139 Y HA 0.022 4.787 4.550 0.358 0.000 0.286 139 Y C 2.105 177.911 175.900 -0.158 0.000 1.166 139 Y CA 0.999 59.083 58.100 -0.027 0.000 1.203 139 Y CB -0.523 37.943 38.460 0.009 0.000 0.977 139 Y HN 0.268 nan 8.280 nan 0.000 0.529 140 L N -0.857 120.344 121.223 -0.037 0.000 2.291 140 L HA -0.169 4.386 4.340 0.358 0.000 0.214 140 L C 2.037 178.860 176.870 -0.078 0.000 1.120 140 L CA 0.673 55.477 54.840 -0.061 0.000 0.799 140 L CB -0.387 41.651 42.059 -0.035 0.000 0.925 140 L HN 0.295 nan 8.230 nan 0.000 0.446 141 I N 0.577 120.984 120.570 -0.273 0.000 2.113 141 I HA -0.185 4.200 4.170 0.358 0.000 0.238 141 I C -0.238 175.829 176.117 -0.084 0.000 1.070 141 I CA 1.350 62.361 61.300 -0.483 0.000 1.332 141 I CB -1.578 36.034 38.000 -0.646 0.000 1.044 141 I HN 0.212 nan 8.210 nan 0.000 0.402 142 P HA -0.127 nan 4.420 nan 0.000 0.222 142 P C 1.849 179.182 177.300 0.055 0.000 1.147 142 P CA 1.454 64.573 63.100 0.032 0.000 0.790 142 P CB -0.043 31.679 31.700 0.036 0.000 0.780 143 L N -1.655 119.583 121.223 0.025 0.000 2.240 143 L HA 0.007 4.562 4.340 0.358 0.000 0.211 143 L C 2.343 179.273 176.870 0.100 0.000 1.106 143 L CA 0.970 55.823 54.840 0.022 0.000 0.793 143 L CB -0.377 41.641 42.059 -0.068 0.000 0.927 143 L HN -0.072 nan 8.230 nan 0.000 0.446 144 L N -2.156 119.181 121.223 0.190 0.000 2.749 144 L HA 0.200 4.755 4.340 0.358 0.000 0.242 144 L C 0.154 177.172 176.870 0.246 0.000 1.103 144 L CA -0.256 54.729 54.840 0.242 0.000 0.906 144 L CB 0.376 42.643 42.059 0.346 0.000 1.228 144 L HN -0.005 nan 8.230 nan 0.000 0.517 145 D N 1.064 121.664 120.400 0.333 0.000 2.304 145 D HA 0.047 4.902 4.640 0.358 0.000 0.250 145 D C -0.541 175.858 176.300 0.166 0.000 1.107 145 D CA -0.040 54.149 54.000 0.315 0.000 0.885 145 D CB 0.996 42.036 40.800 0.401 0.000 1.192 145 D HN -0.104 nan 8.370 nan 0.000 0.436 146 D N 3.982 124.455 120.400 0.121 0.000 2.339 146 D HA 0.149 5.003 4.640 0.358 0.000 0.241 146 D C -1.692 174.662 176.300 0.089 0.000 1.183 146 D CA -2.029 52.022 54.000 0.084 0.000 0.859 146 D CB 1.518 42.350 40.800 0.055 0.000 1.067 146 D HN 0.134 nan 8.370 nan 0.000 0.484 147 P HA -0.118 nan 4.420 nan 0.000 0.221 147 P C 0.579 177.914 177.300 0.059 0.000 1.145 147 P CA 0.851 63.995 63.100 0.073 0.000 0.795 147 P CB 0.498 32.235 31.700 0.063 0.000 0.775 148 E N -0.864 119.367 120.200 0.051 0.000 2.489 148 E HA 0.021 4.586 4.350 0.358 0.000 0.193 148 E C 0.942 177.566 176.600 0.041 0.000 1.057 148 E CA 0.222 56.646 56.400 0.041 0.000 0.866 148 E CB 0.205 29.925 29.700 0.033 0.000 0.916 148 E HN 0.275 nan 8.360 nan 0.000 0.500 149 R N 0.953 121.484 120.500 0.051 0.000 2.734 149 R HA 0.202 4.757 4.340 0.358 0.000 0.242 149 R C -2.801 173.544 176.300 0.076 0.000 1.617 149 R CA -1.361 54.770 56.100 0.052 0.000 1.572 149 R CB 0.794 31.118 30.300 0.040 0.000 1.477 149 R HN -0.108 nan 8.270 nan 0.000 0.707 150 P HA -0.067 nan 4.420 nan 0.000 0.268 150 P C -1.351 176.031 177.300 0.137 0.000 1.205 150 P CA -0.006 63.168 63.100 0.123 0.000 0.771 150 P CB 0.305 32.064 31.700 0.098 0.000 0.858 151 Y N 5.755 126.070 120.300 0.026 0.000 2.350 151 Y HA 0.302 5.066 4.550 0.358 0.000 0.340 151 Y C -1.536 174.374 175.900 0.016 0.000 1.006 151 Y CA -2.377 55.676 58.100 -0.078 0.000 1.166 151 Y CB 0.923 39.173 38.460 -0.351 0.000 1.168 151 Y HN 0.350 nan 8.280 nan 0.000 0.502 152 P HA 0.240 nan 4.420 nan 0.000 0.257 152 P C 0.113 177.108 177.300 -0.508 0.000 1.281 152 P CA 0.869 63.753 63.100 -0.360 0.000 0.826 152 P CB 0.080 31.643 31.700 -0.228 0.000 1.237 153 G N 2.308 110.412 108.800 -1.161 0.000 2.730 153 G HA2 -0.144 4.031 3.960 0.358 0.000 0.686 153 G HA3 -0.144 4.031 3.960 0.358 0.000 0.686 153 G C -2.342 172.198 174.900 -0.601 0.000 1.343 153 G CA -0.311 44.361 45.100 -0.713 0.000 0.826 153 G HN -0.035 nan 8.290 nan 0.000 0.582 154 P HA 0.059 nan 4.420 nan 0.000 0.241 154 P C 0.900 178.013 177.300 -0.312 0.000 1.191 154 P CA 1.129 64.046 63.100 -0.306 0.000 0.771 154 P CB -0.054 31.453 31.700 -0.321 0.000 0.929 155 Y N -0.134 120.154 120.300 -0.019 0.000 2.503 155 Y HA 0.212 4.976 4.550 0.357 0.000 0.278 155 Y C 2.537 178.418 175.900 -0.032 0.000 1.111 155 Y CA 0.018 58.112 58.100 -0.010 0.000 1.270 155 Y CB -0.128 38.328 38.460 -0.007 0.000 1.063 155 Y HN -0.168 nan 8.280 nan 0.000 0.548 156 R N -0.759 119.752 120.500 0.018 0.000 2.308 156 R HA 0.155 4.710 4.340 0.358 0.000 0.202 156 R C 0.239 176.512 176.300 -0.044 0.000 0.898 156 R CA 0.520 56.611 56.100 -0.015 0.000 1.046 156 R CB 0.777 31.048 30.300 -0.049 0.000 1.026 156 R HN -0.042 nan 8.270 nan 0.000 0.512 157 T N 0.176 114.689 114.554 -0.069 0.000 2.932 157 T HA 0.089 4.654 4.350 0.358 0.000 0.318 157 T C -1.170 173.535 174.700 0.009 0.000 1.265 157 T CA -0.814 61.269 62.100 -0.028 0.000 1.036 157 T CB 1.713 70.561 68.868 -0.034 0.000 1.209 157 T HN 0.178 nan 8.240 nan 0.000 0.484 158 D N 1.678 122.093 120.400 0.026 0.000 2.369 158 D HA 0.131 4.986 4.640 0.358 0.000 0.211 158 D C 0.484 176.807 176.300 0.039 0.000 1.077 158 D CA -0.185 53.836 54.000 0.035 0.000 0.842 158 D CB 0.166 40.979 40.800 0.022 0.000 0.947 158 D HN 0.590 nan 8.370 nan 0.000 0.509 159 E N 1.494 121.724 120.200 0.051 0.000 2.324 159 E HA 0.151 4.716 4.350 0.358 0.000 0.271 159 E C -2.116 174.519 176.600 0.059 0.000 1.028 159 E CA -1.926 54.499 56.400 0.042 0.000 0.890 159 E CB 0.712 30.438 29.700 0.043 0.000 1.004 159 E HN 0.014 nan 8.360 nan 0.000 0.431 160 P HA -0.062 nan 4.420 nan 0.000 0.269 160 P C -0.612 176.521 177.300 -0.278 0.000 1.215 160 P CA -0.428 62.599 63.100 -0.122 0.000 0.780 160 P CB 0.371 32.001 31.700 -0.117 0.000 0.898 161 L N 3.231 124.087 121.223 -0.611 0.000 2.559 161 L HA -0.029 4.526 4.340 0.358 0.000 0.274 161 L C 1.438 178.080 176.870 -0.381 0.000 1.205 161 L CA 0.717 55.067 54.840 -0.817 0.000 0.907 161 L CB -0.105 41.331 42.059 -1.039 0.000 1.153 161 L HN 0.283 nan 8.230 nan 0.000 0.490 162 R N 2.028 122.371 120.500 -0.261 0.000 2.235 162 R HA -0.045 4.510 4.340 0.358 0.000 0.213 162 R C 1.564 177.793 176.300 -0.118 0.000 1.059 162 R CA 1.118 57.132 56.100 -0.144 0.000 0.997 162 R CB -0.377 29.872 30.300 -0.084 0.000 0.884 162 R HN 0.895 nan 8.270 nan 0.000 0.462 163 S N -0.737 114.887 115.700 -0.127 0.000 2.593 163 S HA 0.102 4.787 4.470 0.358 0.000 0.217 163 S C 0.718 175.271 174.600 -0.078 0.000 0.966 163 S CA -0.364 57.798 58.200 -0.063 0.000 0.914 163 S CB 0.373 63.569 63.200 -0.007 0.000 0.776 163 S HN -0.116 nan 8.310 nan 0.000 0.523 164 V N 2.964 122.781 119.914 -0.161 0.000 2.407 164 V HA 0.472 4.807 4.120 0.358 0.000 0.291 164 V C -0.503 175.447 176.094 -0.240 0.000 1.018 164 V CA -0.731 61.414 62.300 -0.258 0.000 0.842 164 V CB 1.311 32.969 31.823 -0.275 0.000 0.996 164 V HN 0.397 nan 8.190 nan 0.000 0.426 165 L N 4.323 125.403 121.223 -0.239 0.000 2.325 165 L HA 0.752 5.307 4.340 0.358 0.000 0.278 165 L C 0.282 177.054 176.870 -0.164 0.000 1.023 165 L CA -0.457 54.285 54.840 -0.164 0.000 0.811 165 L CB 2.119 44.109 42.059 -0.114 0.000 1.249 165 L HN 0.722 nan 8.230 nan 0.000 0.431 166 T N -2.116 112.368 114.554 -0.117 0.000 3.327 166 T HA 0.324 4.889 4.350 0.358 0.000 0.373 166 T C -2.134 172.526 174.700 -0.067 0.000 1.589 166 T CA -1.430 60.614 62.100 -0.092 0.000 1.497 166 T CB 0.956 69.771 68.868 -0.088 0.000 1.032 166 T HN 0.295 nan 8.240 nan 0.000 0.640 167 P HA 0.036 nan 4.420 nan 0.000 0.219 167 P C 0.074 177.352 177.300 -0.036 0.000 1.146 167 P CA 1.273 64.349 63.100 -0.039 0.000 0.808 167 P CB 0.113 31.797 31.700 -0.027 0.000 0.779 168 D N -3.928 116.449 120.400 -0.038 0.000 2.768 168 D HA 0.059 4.914 4.640 0.358 0.000 0.327 168 D C 0.554 176.794 176.300 -0.100 0.000 1.302 168 D CA -0.694 53.273 54.000 -0.057 0.000 0.897 168 D CB 0.011 40.793 40.800 -0.030 0.000 1.420 168 D HN -0.254 nan 8.370 nan 0.000 0.494 169 E N -0.751 119.328 120.200 -0.202 0.000 2.401 169 E HA -0.146 4.419 4.350 0.358 0.000 0.199 169 E C 0.363 176.728 176.600 -0.392 0.000 1.023 169 E CA 1.033 57.232 56.400 -0.335 0.000 0.859 169 E CB -0.235 29.170 29.700 -0.492 0.000 0.780 169 E HN 0.458 nan 8.360 nan 0.000 0.523 170 H N -0.285 118.788 119.070 0.005 0.000 2.674 170 H HA 0.301 5.070 4.556 0.354 0.000 0.274 170 H C -0.176 175.170 175.328 0.030 0.000 1.121 170 H CA 0.023 56.080 56.048 0.016 0.000 1.132 170 H CB 0.848 30.617 29.762 0.011 0.000 1.606 170 H HN -0.104 nan 8.280 nan 0.000 0.558 171 T N 1.554 116.166 114.554 0.095 0.000 2.886 171 T HA 0.516 5.080 4.350 0.358 0.000 0.292 171 T C -0.415 174.307 174.700 0.037 0.000 1.012 171 T CA -0.473 61.675 62.100 0.080 0.000 0.982 171 T CB 2.264 71.162 68.868 0.050 0.000 1.018 171 T HN 0.140 nan 8.240 nan 0.000 0.451 172 I N 2.645 123.255 120.570 0.067 0.000 2.619 172 I HA 0.715 5.100 4.170 0.358 0.000 0.292 172 I C -1.615 174.482 176.117 -0.033 0.000 1.100 172 I CA -0.909 60.364 61.300 -0.044 0.000 1.043 172 I CB 1.444 39.399 38.000 -0.075 0.000 1.239 172 I HN 0.387 nan 8.210 nan 0.000 0.420 173 V N 7.374 127.164 119.914 -0.207 0.000 2.531 173 V HA 0.453 4.788 4.120 0.358 0.000 0.301 173 V C -0.936 174.992 176.094 -0.276 0.000 1.034 173 V CA -0.450 61.787 62.300 -0.104 0.000 0.865 173 V CB 1.565 33.353 31.823 -0.059 0.000 0.995 173 V HN 0.459 nan 8.190 nan 0.000 0.424 174 F N 3.721 123.731 119.950 0.099 0.000 2.388 174 F HA 0.556 5.294 4.527 0.352 0.000 0.358 174 F C 0.873 176.653 175.800 -0.034 0.000 1.122 174 F CA -0.574 57.438 58.000 0.020 0.000 1.056 174 F CB 1.350 40.321 39.000 -0.048 0.000 1.155 174 F HN 0.256 nan 8.300 nan 0.000 0.461 175 R N 5.242 125.807 120.500 0.108 0.000 2.280 175 R HA 0.426 4.981 4.340 0.358 0.000 0.326 175 R C -0.685 175.652 176.300 0.061 0.000 1.080 175 R CA -0.451 55.687 56.100 0.063 0.000 1.002 175 R CB 0.633 30.945 30.300 0.021 0.000 1.136 175 R HN 0.616 nan 8.270 nan 0.000 0.509 176 L N 1.212 122.467 121.223 0.053 0.000 2.439 176 L HA 0.190 4.745 4.340 0.358 0.000 0.261 176 L C 1.882 178.790 176.870 0.063 0.000 1.153 176 L CA -0.354 54.509 54.840 0.038 0.000 0.808 176 L CB 0.940 43.000 42.059 0.002 0.000 1.126 176 L HN 0.583 nan 8.230 nan 0.000 0.460 177 T N -1.719 112.876 114.554 0.068 0.000 3.118 177 T HA 0.043 4.608 4.350 0.358 0.000 0.260 177 T C 0.492 175.243 174.700 0.084 0.000 1.139 177 T CA 0.087 62.230 62.100 0.073 0.000 1.085 177 T CB -0.225 68.690 68.868 0.077 0.000 0.934 177 T HN 0.779 nan 8.240 nan 0.000 0.518 178 R N -1.178 119.385 120.500 0.104 0.000 2.753 178 R HA 0.454 5.009 4.340 0.358 0.000 0.272 178 R C -3.731 172.681 176.300 0.187 0.000 1.034 178 R CA -1.951 54.230 56.100 0.135 0.000 0.869 178 R CB -0.315 30.073 30.300 0.146 0.000 1.264 178 R HN -0.128 nan 8.270 nan 0.000 0.481 179 P HA 0.076 nan 4.420 nan 0.000 0.266 179 P C -1.324 176.188 177.300 0.353 0.000 1.195 179 P CA 0.140 63.404 63.100 0.272 0.000 0.768 179 P CB 0.150 32.007 31.700 0.261 0.000 0.838 180 F N 1.886 121.964 119.950 0.213 0.000 3.164 180 F HA 0.163 4.904 4.527 0.356 0.000 0.375 180 F C 1.193 177.132 175.800 0.231 0.000 1.257 180 F CA -0.261 57.810 58.000 0.118 0.000 1.171 180 F CB 0.537 39.543 39.000 0.010 0.000 1.588 180 F HN 0.277 nan 8.300 nan 0.000 0.604 181 S N 0.874 116.524 115.700 -0.083 0.000 2.402 181 S HA -0.193 4.492 4.470 0.358 0.000 0.233 181 S C 0.840 175.498 174.600 0.098 0.000 1.030 181 S CA 1.773 60.044 58.200 0.119 0.000 1.003 181 S CB -0.178 63.051 63.200 0.049 0.000 0.813 181 S HN 0.595 nan 8.310 nan 0.000 0.477 182 D N 0.048 120.245 120.400 -0.339 0.000 2.395 182 D HA 0.309 5.164 4.640 0.358 0.000 0.226 182 D C 0.686 176.964 176.300 -0.036 0.000 1.146 182 D CA -0.283 53.657 54.000 -0.099 0.000 0.830 182 D CB -0.419 40.252 40.800 -0.216 0.000 0.958 182 D HN 0.366 nan 8.370 nan 0.000 0.501 183 F N 1.650 121.345 119.950 -0.424 0.000 2.161 183 F HA -0.211 4.532 4.527 0.361 0.000 0.300 183 F C 1.659 177.110 175.800 -0.582 0.000 1.089 183 F CA 1.376 58.921 58.000 -0.758 0.000 1.282 183 F CB 0.256 38.148 39.000 -1.846 0.000 1.010 183 F HN -0.117 nan 8.300 nan 0.000 0.485 184 D N -0.884 119.321 120.400 -0.324 0.000 2.190 184 D HA -0.218 4.637 4.640 0.358 0.000 0.200 184 D C 2.207 178.262 176.300 -0.410 0.000 0.992 184 D CA 1.418 55.309 54.000 -0.181 0.000 0.854 184 D CB -0.522 40.269 40.800 -0.015 0.000 0.936 184 D HN 0.467 nan 8.370 nan 0.000 0.462 185 H N -0.021 118.848 119.070 -0.336 0.000 2.389 185 H HA 0.003 4.777 4.556 0.362 0.000 0.299 185 H C 2.362 177.382 175.328 -0.513 0.000 1.081 185 H CA 0.602 56.453 56.048 -0.329 0.000 1.345 185 H CB -0.009 29.598 29.762 -0.259 0.000 1.393 185 H HN 0.207 nan 8.280 nan 0.000 0.520 186 L N 0.106 120.945 121.223 -0.639 0.000 2.201 186 L HA -0.141 4.414 4.340 0.358 0.000 0.212 186 L C 2.307 178.752 176.870 -0.708 0.000 1.105 186 L CA 0.545 54.938 54.840 -0.746 0.000 0.775 186 L CB -0.251 41.233 42.059 -0.957 0.000 0.913 186 L HN 0.212 nan 8.230 nan 0.000 0.440 187 M N -0.560 118.575 119.600 -0.776 0.000 2.492 187 M HA -0.005 4.690 4.480 0.358 0.000 0.262 187 M C 2.169 178.204 176.300 -0.442 0.000 1.090 187 M CA 0.943 55.858 55.300 -0.641 0.000 1.110 187 M CB -0.906 31.271 32.600 -0.705 0.000 1.407 187 M HN 0.227 nan 8.290 nan 0.000 0.470 188 A N -0.391 122.188 122.820 -0.402 0.000 2.218 188 A HA 0.064 4.599 4.320 0.358 0.000 0.209 188 A C 1.025 178.474 177.584 -0.225 0.000 1.168 188 A CA -0.039 51.811 52.037 -0.312 0.000 0.804 188 A CB -0.118 18.602 19.000 -0.467 0.000 0.834 188 A HN 0.463 nan 8.150 nan 0.000 0.482 189 Q N 0.274 119.883 119.800 -0.318 0.000 2.340 189 Q HA 0.153 4.708 4.340 0.358 0.000 0.249 189 Q C -1.546 174.131 176.000 -0.537 0.000 0.957 189 Q CA -1.921 53.572 55.803 -0.517 0.000 0.882 189 Q CB 0.820 29.256 28.738 -0.504 0.000 1.235 189 Q HN 0.182 nan 8.270 nan 0.000 0.439 190 P HA -0.159 nan 4.420 nan 0.000 0.220 190 P C 1.155 178.254 177.300 -0.335 0.000 1.148 190 P CA 1.129 63.938 63.100 -0.485 0.000 0.803 190 P CB -0.202 31.145 31.700 -0.588 0.000 0.782 191 C N -1.539 117.539 119.300 -0.369 0.000 2.430 191 C HA 0.318 4.993 4.460 0.358 0.000 0.288 191 C C 2.439 177.327 174.990 -0.170 0.000 1.448 191 C CA 0.284 59.171 59.018 -0.220 0.000 1.784 191 C CB -2.097 25.523 27.740 -0.199 0.000 1.776 191 C HN 0.209 nan 8.230 nan 0.000 0.547 192 A N 0.140 122.835 122.820 -0.209 0.000 2.348 192 A HA 0.696 5.231 4.320 0.358 0.000 0.224 192 A C 1.264 178.780 177.584 -0.114 0.000 1.227 192 A CA 0.546 52.482 52.037 -0.167 0.000 0.885 192 A CB -0.590 18.252 19.000 -0.264 0.000 0.933 192 A HN 0.842 nan 8.150 nan 0.000 0.506 193 A N 2.047 124.808 122.820 -0.099 0.000 2.477 193 A HA 0.520 5.055 4.320 0.358 0.000 0.246 193 A C -2.253 175.359 177.584 0.046 0.000 1.078 193 A CA -1.108 50.914 52.037 -0.025 0.000 0.770 193 A CB -0.283 18.710 19.000 -0.012 0.000 1.011 193 A HN 0.289 nan 8.150 nan 0.000 0.494 194 P HA 0.200 nan 4.420 nan 0.000 0.266 194 P C -0.772 176.657 177.300 0.215 0.000 1.195 194 P CA 0.142 63.345 63.100 0.171 0.000 0.768 194 P CB 0.736 32.573 31.700 0.228 0.000 0.838 195 V N 5.259 125.261 119.914 0.148 0.000 2.482 195 V HA 0.308 4.643 4.120 0.358 0.000 0.295 195 V C -2.209 173.910 176.094 0.042 0.000 1.026 195 V CA -1.943 60.388 62.300 0.052 0.000 0.856 195 V CB 2.153 33.929 31.823 -0.080 0.000 1.001 195 V HN 0.535 nan 8.190 nan 0.000 0.424 196 P HA 0.279 nan 4.420 nan 0.000 0.280 196 P C 0.414 177.567 177.300 -0.244 0.000 1.244 196 P CA -0.430 62.582 63.100 -0.146 0.000 0.784 196 P CB 1.457 33.021 31.700 -0.227 0.000 0.913 197 R N 4.347 124.576 120.500 -0.450 0.000 2.105 197 R HA -0.189 4.366 4.340 0.358 0.000 0.239 197 R C 2.318 178.459 176.300 -0.264 0.000 1.135 197 R CA 1.821 57.516 56.100 -0.675 0.000 0.967 197 R CB -0.240 29.621 30.300 -0.732 0.000 0.861 197 R HN 0.452 nan 8.270 nan 0.000 0.442 198 R N -0.819 119.575 120.500 -0.177 0.000 2.159 198 R HA -0.032 4.523 4.340 0.358 0.000 0.237 198 R C 1.229 177.496 176.300 -0.054 0.000 1.131 198 R CA 1.915 57.960 56.100 -0.092 0.000 0.982 198 R CB -0.236 30.022 30.300 -0.071 0.000 0.868 198 R HN 0.045 nan 8.270 nan 0.000 0.453 199 S N 0.184 115.849 115.700 -0.058 0.000 2.540 199 S HA 0.022 4.706 4.470 0.358 0.000 0.218 199 S C -0.373 174.299 174.600 0.121 0.000 0.977 199 S CA -0.369 57.847 58.200 0.028 0.000 0.918 199 S CB 0.341 63.550 63.200 0.014 0.000 0.806 199 S HN 0.260 nan 8.310 nan 0.000 0.496 200 D N 2.959 123.371 120.400 0.021 0.000 2.402 200 D HA 0.109 4.964 4.640 0.358 0.000 0.235 200 D C 0.966 177.337 176.300 0.118 0.000 1.226 200 D CA 0.074 54.080 54.000 0.010 0.000 0.918 200 D CB 0.711 41.561 40.800 0.082 0.000 1.043 200 D HN 0.193 nan 8.370 nan 0.000 0.506 201 T N 0.891 115.563 114.554 0.196 0.000 3.272 201 T HA 0.405 4.970 4.350 0.358 0.000 0.250 201 T C 1.327 176.059 174.700 0.053 0.000 1.082 201 T CA 0.001 62.174 62.100 0.121 0.000 0.968 201 T CB -0.135 68.813 68.868 0.133 0.000 1.015 201 T HN 0.477 nan 8.240 nan 0.000 0.563 202 G N 1.998 110.822 108.800 0.039 0.000 2.596 202 G HA2 -0.307 3.868 3.960 0.358 0.000 0.304 202 G HA3 -0.307 3.868 3.960 0.358 0.000 0.304 202 G C 1.334 176.224 174.900 -0.016 0.000 1.189 202 G CA 0.534 45.557 45.100 -0.128 0.000 0.986 202 G HN 1.153 nan 8.290 nan 0.000 0.548 203 A N -0.715 122.055 122.820 -0.084 0.000 2.076 203 A HA 0.119 4.654 4.320 0.358 0.000 0.220 203 A C 1.792 179.396 177.584 0.034 0.000 1.160 203 A CA 2.481 54.510 52.037 -0.015 0.000 0.653 203 A CB -0.298 18.678 19.000 -0.041 0.000 0.801 203 A HN 0.569 nan 8.150 nan 0.000 0.455 204 D N -2.467 117.960 120.400 0.044 0.000 2.349 204 D HA 0.057 4.912 4.640 0.358 0.000 0.214 204 D C 1.038 177.398 176.300 0.099 0.000 1.063 204 D CA 0.003 54.037 54.000 0.057 0.000 0.847 204 D CB -0.125 40.696 40.800 0.034 0.000 0.933 204 D HN 0.534 nan 8.370 nan 0.000 0.513 205 Y N 1.853 122.156 120.300 0.005 0.000 2.207 205 Y HA -0.118 4.642 4.550 0.350 0.000 0.287 205 Y C 2.271 178.177 175.900 0.010 0.000 1.156 205 Y CA 1.710 59.818 58.100 0.014 0.000 1.182 205 Y CB -0.343 38.136 38.460 0.033 0.000 0.979 205 Y HN 0.012 nan 8.280 nan 0.000 0.521 206 G N -0.445 108.347 108.800 -0.014 0.000 2.559 206 G HA2 -0.187 3.988 3.960 0.358 0.000 0.216 206 G HA3 -0.187 3.988 3.960 0.358 0.000 0.216 206 G C 1.693 176.537 174.900 -0.093 0.000 1.126 206 G CA 0.371 45.417 45.100 -0.090 0.000 0.778 206 G HN 0.380 nan 8.290 nan 0.000 0.543 207 R N -0.696 119.767 120.500 -0.062 0.000 2.240 207 R HA 0.097 4.652 4.340 0.358 0.000 0.203 207 R C -0.011 176.250 176.300 -0.065 0.000 1.011 207 R CA 0.773 56.857 56.100 -0.027 0.000 1.007 207 R CB 0.381 30.682 30.300 0.002 0.000 0.911 207 R HN 0.193 nan 8.270 nan 0.000 0.468 208 D N 0.104 120.412 120.400 -0.153 0.000 3.118 208 D HA 0.125 4.980 4.640 0.358 0.000 0.259 208 D C -2.748 173.333 176.300 -0.365 0.000 1.292 208 D CA -1.633 52.267 54.000 -0.167 0.000 0.784 208 D CB 0.863 41.616 40.800 -0.079 0.000 1.413 208 D HN -0.114 nan 8.370 nan 0.000 0.583 209 P HA 0.350 nan 4.420 nan 0.000 0.281 209 P C -0.041 177.057 177.300 -0.336 0.000 1.249 209 P CA -0.621 61.959 63.100 -0.868 0.000 0.810 209 P CB 1.068 32.377 31.700 -0.650 0.000 1.008 210 R N 0.674 121.084 120.500 -0.151 0.000 2.560 210 R HA 0.464 5.019 4.340 0.358 0.000 0.270 210 R C 0.094 176.461 176.300 0.110 0.000 1.074 210 R CA -0.222 55.880 56.100 0.003 0.000 1.140 210 R CB 0.293 30.520 30.300 -0.122 0.000 1.073 210 R HN 0.459 nan 8.270 nan 0.000 0.527 211 S N 0.031 115.848 115.700 0.195 0.000 2.519 211 S HA 0.141 4.826 4.470 0.358 0.000 0.309 211 S C 0.659 175.445 174.600 0.310 0.000 1.100 211 S CA -0.630 57.694 58.200 0.207 0.000 1.059 211 S CB 1.572 64.847 63.200 0.126 0.000 1.008 211 S HN 0.648 nan 8.310 nan 0.000 0.478 212 S N 1.636 117.492 115.700 0.259 0.000 2.540 212 S HA 0.288 4.973 4.470 0.358 0.000 0.218 212 S C 0.934 175.637 174.600 0.171 0.000 0.977 212 S CA -0.260 58.038 58.200 0.163 0.000 0.918 212 S CB 0.153 63.396 63.200 0.071 0.000 0.806 212 S HN 0.697 nan 8.310 nan 0.000 0.496 213 G N 2.249 111.108 108.800 0.098 0.000 2.543 213 G HA2 0.485 4.660 3.960 0.358 0.000 0.290 213 G HA3 0.485 4.660 3.960 0.358 0.000 0.290 213 G C -1.705 172.984 174.900 -0.352 0.000 1.310 213 G CA -1.611 43.460 45.100 -0.049 0.000 1.025 213 G HN 0.132 nan 8.290 nan 0.000 0.502 214 P HA -0.001 nan 4.420 nan 0.000 0.230 214 P C -0.664 176.036 177.300 -0.999 0.000 1.158 214 P CA 1.030 63.221 63.100 -1.515 0.000 0.769 214 P CB 0.075 30.533 31.700 -2.069 0.000 0.807 215 Y N 0.095 120.225 120.300 -0.284 0.000 2.570 215 Y HA 0.517 5.276 4.550 0.349 0.000 0.345 215 Y C 1.083 176.951 175.900 -0.053 0.000 1.014 215 Y CA -1.184 56.838 58.100 -0.130 0.000 1.063 215 Y CB 1.684 40.076 38.460 -0.114 0.000 1.272 215 Y HN -0.223 nan 8.280 nan 0.000 0.477 216 R N -0.582 120.001 120.500 0.137 0.000 2.837 216 R HA 0.835 5.390 4.340 0.358 0.000 0.271 216 R C -1.946 174.410 176.300 0.092 0.000 0.993 216 R CA -1.049 55.108 56.100 0.095 0.000 0.931 216 R CB 1.277 31.627 30.300 0.082 0.000 1.206 216 R HN 0.397 nan 8.270 nan 0.000 0.474 217 V N 2.193 122.139 119.914 0.055 0.000 2.479 217 V HA 0.151 4.486 4.120 0.358 0.000 0.281 217 V C 1.054 177.190 176.094 0.069 0.000 1.031 217 V CA 0.729 63.059 62.300 0.051 0.000 1.038 217 V CB 0.630 32.457 31.823 0.007 0.000 0.981 217 V HN 1.028 nan 8.190 nan 0.000 0.478 218 A N 5.611 128.491 122.820 0.101 0.000 1.924 218 A HA 0.292 4.827 4.320 0.358 0.000 0.211 218 A C 1.157 178.801 177.584 0.100 0.000 1.198 218 A CA 0.458 52.559 52.037 0.106 0.000 0.657 218 A CB 0.244 19.325 19.000 0.135 0.000 0.852 218 A HN 0.680 nan 8.150 nan 0.000 0.454 219 R N -1.098 119.468 120.500 0.109 0.000 2.561 219 R HA 0.401 4.956 4.340 0.358 0.000 0.266 219 R C -2.130 174.215 176.300 0.076 0.000 1.091 219 R CA -0.567 55.571 56.100 0.063 0.000 0.927 219 R CB 1.154 31.470 30.300 0.025 0.000 1.240 219 R HN 0.460 nan 8.270 nan 0.000 0.449 220 H N 2.189 121.232 119.070 -0.044 0.000 2.658 220 H HA 0.344 5.117 4.556 0.362 0.000 0.337 220 H C -1.400 173.899 175.328 -0.049 0.000 1.009 220 H CA -0.493 55.528 56.048 -0.046 0.000 1.231 220 H CB 1.410 31.162 29.762 -0.017 0.000 1.508 220 H HN 0.528 nan 8.280 nan 0.000 0.517 221 E N 6.916 126.921 120.200 -0.324 0.000 2.102 221 E HA 0.254 4.819 4.350 0.358 0.000 0.263 221 E C -2.568 173.756 176.600 -0.461 0.000 0.894 221 E CA -2.257 53.935 56.400 -0.347 0.000 0.746 221 E CB 1.473 31.066 29.700 -0.178 0.000 1.129 221 E HN 0.511 nan 8.360 nan 0.000 0.416 222 P HA -0.135 nan 4.420 nan 0.000 0.263 222 P C -0.340 176.889 177.300 -0.118 0.000 1.175 222 P CA 0.575 63.481 63.100 -0.324 0.000 0.761 222 P CB 0.344 31.940 31.700 -0.172 0.000 0.794 223 D N 0.417 120.811 120.400 -0.010 0.000 3.070 223 D HA -0.151 4.704 4.640 0.358 0.000 0.220 223 D C 0.606 176.907 176.300 0.001 0.000 1.176 223 D CA 1.889 55.900 54.000 0.020 0.000 0.924 223 D CB -1.434 39.373 40.800 0.011 0.000 1.124 223 D HN 0.398 nan 8.370 nan 0.000 0.411 224 T N -1.811 112.732 114.554 -0.018 0.000 3.358 224 T HA 0.370 4.935 4.350 0.358 0.000 0.263 224 T C 0.323 175.018 174.700 -0.009 0.000 0.998 224 T CA 0.721 62.808 62.100 -0.023 0.000 1.130 224 T CB 0.856 69.693 68.868 -0.051 0.000 1.165 224 T HN 0.221 nan 8.240 nan 0.000 0.426 225 L N -0.507 120.703 121.223 -0.022 0.000 2.724 225 L HA 0.907 5.462 4.340 0.358 0.000 0.258 225 L C -2.268 174.618 176.870 0.028 0.000 0.967 225 L CA -1.254 53.569 54.840 -0.028 0.000 0.891 225 L CB 1.843 43.800 42.059 -0.171 0.000 1.456 225 L HN 0.072 nan 8.230 nan 0.000 0.416 226 L N 1.147 122.412 121.223 0.070 0.000 2.439 226 L HA 0.615 5.170 4.340 0.358 0.000 0.270 226 L C -1.459 175.527 176.870 0.194 0.000 0.972 226 L CA 0.231 55.149 54.840 0.131 0.000 0.836 226 L CB 1.703 43.857 42.059 0.159 0.000 1.255 226 L HN 0.775 nan 8.230 nan 0.000 0.404 227 H N 5.623 124.747 119.070 0.090 0.000 2.481 227 H HA 0.628 5.398 4.556 0.356 0.000 0.333 227 H C -0.987 174.375 175.328 0.057 0.000 1.066 227 H CA -0.968 55.120 56.048 0.065 0.000 1.209 227 H CB 1.647 31.448 29.762 0.064 0.000 1.445 227 H HN 0.458 nan 8.280 nan 0.000 0.488 228 L N 3.391 124.710 121.223 0.161 0.000 2.334 228 L HA 0.392 4.947 4.340 0.358 0.000 0.276 228 L C 0.093 177.054 176.870 0.152 0.000 1.014 228 L CA -0.692 54.222 54.840 0.124 0.000 0.815 228 L CB 1.802 43.891 42.059 0.049 0.000 1.268 228 L HN 0.720 nan 8.230 nan 0.000 0.428 229 E N 2.148 122.460 120.200 0.187 0.000 2.339 229 E HA 0.540 5.105 4.350 0.358 0.000 0.262 229 E C -0.978 175.732 176.600 0.183 0.000 0.934 229 E CA -1.169 55.339 56.400 0.180 0.000 0.802 229 E CB 1.640 31.402 29.700 0.104 0.000 1.275 229 E HN 0.413 nan 8.360 nan 0.000 0.427 230 R N 0.874 121.404 120.500 0.050 0.000 2.590 230 R HA 0.092 4.647 4.340 0.358 0.000 0.274 230 R C 0.044 176.288 176.300 -0.094 0.000 1.061 230 R CA -0.423 55.565 56.100 -0.187 0.000 1.081 230 R CB 0.186 30.374 30.300 -0.187 0.000 0.984 230 R HN 0.468 nan 8.270 nan 0.000 0.448 231 N N 3.959 122.575 118.700 -0.139 0.000 2.401 231 N HA 0.064 5.019 4.740 0.358 0.000 0.255 231 N C -1.825 173.709 175.510 0.040 0.000 1.110 231 N CA -2.078 50.978 53.050 0.010 0.000 0.949 231 N CB 1.054 39.568 38.487 0.044 0.000 1.110 231 N HN 0.300 nan 8.380 nan 0.000 0.490 232 P HA -0.059 nan 4.420 nan 0.000 0.230 232 P C 0.274 177.442 177.300 -0.220 0.000 1.158 232 P CA 1.185 64.210 63.100 -0.124 0.000 0.769 232 P CB 0.186 31.757 31.700 -0.215 0.000 0.807 233 H N -3.270 115.860 119.070 0.099 0.000 2.586 233 H HA 0.076 4.841 4.556 0.349 0.000 0.273 233 H C 0.330 175.722 175.328 0.108 0.000 0.997 233 H CA -0.509 55.589 56.048 0.083 0.000 1.177 233 H CB -0.131 29.676 29.762 0.075 0.000 1.471 233 H HN 0.210 nan 8.280 nan 0.000 0.538 234 W N 3.170 124.486 121.300 0.027 0.000 2.181 234 W HA 0.113 4.772 4.660 -0.000 0.000 0.335 234 W C -0.338 176.164 176.519 -0.029 0.000 1.310 234 W CA -0.074 57.263 57.345 -0.013 0.000 1.226 234 W CB 0.573 30.003 29.460 -0.051 0.000 1.155 234 W HN -0.094 nan 8.180 nan 0.000 0.565 235 D N 5.540 125.498 120.400 -0.736 0.000 2.461 235 D HA 0.142 4.997 4.640 0.358 0.000 0.240 235 D C 1.306 176.925 176.300 -1.135 0.000 1.094 235 D CA -0.376 53.197 54.000 -0.711 0.000 0.868 235 D CB 0.781 41.364 40.800 -0.363 0.000 1.062 235 D HN 0.648 nan 8.370 nan 0.000 0.530 236 R N 2.813 122.559 120.500 -1.257 0.000 2.119 236 R HA -0.240 4.315 4.340 0.358 0.000 0.246 236 R C 1.618 177.638 176.300 -0.467 0.000 1.146 236 R CA 1.946 57.450 56.100 -0.993 0.000 0.962 236 R CB 0.018 30.038 30.300 -0.465 0.000 0.863 236 R HN 0.459 nan 8.270 nan 0.000 0.442 237 A N -0.457 122.156 122.820 -0.344 0.000 2.121 237 A HA -0.111 4.424 4.320 0.358 0.000 0.218 237 A C 1.873 179.349 177.584 -0.181 0.000 1.154 237 A CA 1.731 53.648 52.037 -0.201 0.000 0.679 237 A CB -0.408 18.500 19.000 -0.154 0.000 0.795 237 A HN 0.616 nan 8.150 nan 0.000 0.458 238 T N -4.005 110.399 114.554 -0.251 0.000 3.069 238 T HA 0.152 4.717 4.350 0.358 0.000 0.252 238 T C 0.047 174.671 174.700 -0.126 0.000 1.053 238 T CA 0.268 62.261 62.100 -0.178 0.000 0.964 238 T CB 0.103 68.855 68.868 -0.192 0.000 1.005 238 T HN 0.189 nan 8.240 nan 0.000 0.532 239 D N 2.539 122.860 120.400 -0.133 0.000 2.453 239 D HA 0.309 5.164 4.640 0.358 0.000 0.238 239 D C -1.976 174.372 176.300 0.079 0.000 1.088 239 D CA -2.088 51.932 54.000 0.034 0.000 0.854 239 D CB 2.367 43.298 40.800 0.218 0.000 1.076 239 D HN 0.046 nan 8.370 nan 0.000 0.533 240 P HA 0.134 nan 4.420 nan 0.000 0.249 240 P C 0.972 178.335 177.300 0.104 0.000 1.229 240 P CA 0.030 63.172 63.100 0.071 0.000 0.788 240 P CB 0.814 32.544 31.700 0.049 0.000 1.072 241 I N -0.798 119.860 120.570 0.147 0.000 3.565 241 I HA 0.154 4.539 4.170 0.358 0.000 0.287 241 I C 0.908 177.136 176.117 0.185 0.000 1.193 241 I CA 0.297 61.692 61.300 0.158 0.000 1.402 241 I CB -0.210 37.881 38.000 0.152 0.000 1.284 241 I HN -0.093 nan 8.210 nan 0.000 0.454 242 R N 2.691 123.336 120.500 0.242 0.000 2.265 242 R HA 0.295 4.850 4.340 0.358 0.000 0.328 242 R C -1.722 174.749 176.300 0.285 0.000 0.969 242 R CA -1.397 54.843 56.100 0.233 0.000 0.832 242 R CB 1.341 31.750 30.300 0.182 0.000 1.139 242 R HN -0.024 nan 8.270 nan 0.000 0.457 243 P HA -0.074 nan 4.420 nan 0.000 0.225 243 P C 0.111 177.532 177.300 0.202 0.000 1.156 243 P CA 0.567 63.787 63.100 0.199 0.000 0.787 243 P CB 0.286 32.069 31.700 0.140 0.000 0.802 244 A N -0.430 122.469 122.820 0.132 0.000 2.415 244 A HA -0.192 4.343 4.320 0.358 0.000 0.292 244 A C 1.101 178.787 177.584 0.169 0.000 1.452 244 A CA 0.684 52.777 52.037 0.092 0.000 0.750 244 A CB -2.341 16.432 19.000 -0.378 0.000 1.099 244 A HN 0.237 nan 8.150 nan 0.000 0.391 245 L N -0.109 121.213 121.223 0.166 0.000 2.049 245 L HA 0.074 4.629 4.340 0.358 0.000 0.203 245 L C -1.185 175.769 176.870 0.140 0.000 1.074 245 L CA 0.573 55.492 54.840 0.131 0.000 0.749 245 L CB -1.179 40.936 42.059 0.093 0.000 0.907 245 L HN 0.401 nan 8.230 nan 0.000 0.439 246 P HA 0.041 nan 4.420 nan 0.000 0.274 246 P C -0.367 177.058 177.300 0.207 0.000 1.231 246 P CA 0.047 63.219 63.100 0.119 0.000 0.790 246 P CB 0.670 32.389 31.700 0.031 0.000 0.951 247 D N 0.880 121.363 120.400 0.137 0.000 2.234 247 D HA 0.009 4.864 4.640 0.358 0.000 0.205 247 D C 0.578 176.987 176.300 0.181 0.000 0.962 247 D CA 1.274 55.358 54.000 0.139 0.000 0.855 247 D CB 0.372 41.216 40.800 0.072 0.000 0.951 247 D HN 0.373 nan 8.370 nan 0.000 0.500 248 R N -0.816 119.756 120.500 0.120 0.000 2.740 248 R HA 0.589 5.144 4.340 0.358 0.000 0.273 248 R C -1.391 174.895 176.300 -0.024 0.000 0.998 248 R CA -0.718 55.422 56.100 0.068 0.000 0.900 248 R CB 2.932 33.239 30.300 0.012 0.000 1.223 248 R HN -0.274 nan 8.270 nan 0.000 0.466 249 V N 1.615 121.491 119.914 -0.062 0.000 2.531 249 V HA 0.364 4.699 4.120 0.358 0.000 0.301 249 V C -0.743 175.347 176.094 -0.008 0.000 1.034 249 V CA -0.755 61.493 62.300 -0.087 0.000 0.865 249 V CB 1.898 33.595 31.823 -0.210 0.000 0.995 249 V HN 0.719 nan 8.190 nan 0.000 0.424 250 E N 3.720 123.935 120.200 0.024 0.000 2.191 250 E HA 0.523 5.088 4.350 0.358 0.000 0.263 250 E C -1.380 175.324 176.600 0.172 0.000 0.881 250 E CA -0.813 55.660 56.400 0.122 0.000 0.757 250 E CB 2.648 32.344 29.700 -0.007 0.000 1.147 250 E HN 0.472 nan 8.360 nan 0.000 0.414 251 L N 2.848 124.199 121.223 0.213 0.000 2.287 251 L HA 0.384 4.939 4.340 0.358 0.000 0.287 251 L C -0.666 176.279 176.870 0.125 0.000 1.022 251 L CA 0.014 54.931 54.840 0.130 0.000 0.814 251 L CB 1.604 43.733 42.059 0.117 0.000 1.217 251 L HN 0.355 nan 8.230 nan 0.000 0.420 252 T N 6.554 121.140 114.554 0.053 0.000 2.806 252 T HA 0.593 5.158 4.350 0.358 0.000 0.290 252 T C 0.000 174.639 174.700 -0.102 0.000 0.966 252 T CA 0.005 62.112 62.100 0.012 0.000 1.060 252 T CB 0.500 69.394 68.868 0.043 0.000 0.927 252 T HN 0.435 nan 8.240 nan 0.000 0.485 253 I N 1.487 122.031 120.570 -0.044 0.000 2.530 253 I HA 0.578 4.963 4.170 0.358 0.000 0.297 253 I C 1.059 177.145 176.117 -0.052 0.000 1.011 253 I CA -0.501 60.771 61.300 -0.048 0.000 1.107 253 I CB 1.966 39.993 38.000 0.046 0.000 1.285 253 I HN 0.874 nan 8.210 nan 0.000 0.436 254 G N 4.599 113.355 108.800 -0.073 0.000 2.163 254 G HA2 -0.163 4.012 3.960 0.358 0.000 0.213 254 G HA3 -0.163 4.012 3.960 0.358 0.000 0.213 254 G C -0.041 174.821 174.900 -0.064 0.000 0.991 254 G CA -0.666 44.406 45.100 -0.047 0.000 0.653 254 G HN 0.411 nan 8.290 nan 0.000 0.518 255 L N 1.216 122.376 121.223 -0.104 0.000 2.426 255 L HA 0.346 4.901 4.340 0.358 0.000 0.271 255 L C 0.977 177.792 176.870 -0.091 0.000 1.169 255 L CA -0.316 54.468 54.840 -0.092 0.000 0.836 255 L CB 0.518 42.501 42.059 -0.126 0.000 1.112 255 L HN 0.357 nan 8.230 nan 0.000 0.465 256 D N 0.846 121.208 120.400 -0.064 0.000 2.506 256 D HA -0.013 4.842 4.640 0.358 0.000 0.234 256 D C 1.162 177.412 176.300 -0.085 0.000 1.143 256 D CA -0.124 53.837 54.000 -0.065 0.000 0.871 256 D CB 1.216 41.989 40.800 -0.044 0.000 1.190 256 D HN 0.344 nan 8.370 nan 0.000 0.459 257 V N 0.795 120.651 119.914 -0.096 0.000 2.490 257 V HA -0.178 4.157 4.120 0.358 0.000 0.250 257 V C 1.398 177.433 176.094 -0.097 0.000 1.061 257 V CA 1.727 63.958 62.300 -0.116 0.000 1.064 257 V CB -0.482 31.263 31.823 -0.130 0.000 0.670 257 V HN 0.564 nan 8.190 nan 0.000 0.461 258 D N 0.537 120.893 120.400 -0.074 0.000 2.162 258 D HA -0.038 4.817 4.640 0.358 0.000 0.203 258 D C 2.348 178.621 176.300 -0.045 0.000 0.967 258 D CA 1.450 55.416 54.000 -0.057 0.000 0.840 258 D CB 0.106 40.881 40.800 -0.041 0.000 0.972 258 D HN 0.450 nan 8.370 nan 0.000 0.482 259 V N 1.869 121.760 119.914 -0.038 0.000 2.332 259 V HA -0.217 4.118 4.120 0.358 0.000 0.248 259 V C 2.602 178.691 176.094 -0.009 0.000 1.055 259 V CA 1.135 63.426 62.300 -0.015 0.000 1.038 259 V CB -0.457 31.359 31.823 -0.011 0.000 0.651 259 V HN 0.183 nan 8.190 nan 0.000 0.450 260 L N -0.140 121.051 121.223 -0.053 0.000 1.989 260 L HA -0.229 4.326 4.340 0.358 0.000 0.211 260 L C 2.393 179.237 176.870 -0.044 0.000 1.071 260 L CA 2.185 56.976 54.840 -0.082 0.000 0.749 260 L CB -0.573 41.387 42.059 -0.166 0.000 0.890 260 L HN 0.341 nan 8.230 nan 0.000 0.431 261 D N 0.296 120.654 120.400 -0.070 0.000 2.104 261 D HA -0.215 4.640 4.640 0.358 0.000 0.194 261 D C 2.195 178.439 176.300 -0.093 0.000 0.994 261 D CA 1.593 55.539 54.000 -0.091 0.000 0.830 261 D CB -0.241 40.499 40.800 -0.100 0.000 0.959 261 D HN 0.549 nan 8.370 nan 0.000 0.452 262 A N 1.025 123.813 122.820 -0.053 0.000 1.877 262 A HA -0.197 4.338 4.320 0.358 0.000 0.216 262 A C 2.190 179.769 177.584 -0.009 0.000 1.186 262 A CA 1.476 53.488 52.037 -0.042 0.000 0.620 262 A CB -0.430 18.559 19.000 -0.018 0.000 0.822 262 A HN 0.158 nan 8.150 nan 0.000 0.443 263 R N -1.271 119.267 120.500 0.065 0.000 2.119 263 R HA 0.034 4.589 4.340 0.358 0.000 0.222 263 R C 2.080 178.490 176.300 0.184 0.000 1.088 263 R CA 0.976 57.158 56.100 0.137 0.000 0.984 263 R CB -0.486 29.986 30.300 0.286 0.000 0.884 263 R HN 0.479 nan 8.270 nan 0.000 0.447 264 L N 1.411 122.748 121.223 0.190 0.000 1.989 264 L HA -0.140 4.415 4.340 0.358 0.000 0.211 264 L C 1.985 178.862 176.870 0.013 0.000 1.071 264 L CA 1.756 56.690 54.840 0.157 0.000 0.749 264 L CB -0.293 41.813 42.059 0.078 0.000 0.890 264 L HN 0.079 nan 8.230 nan 0.000 0.431 265 I N -0.300 120.143 120.570 -0.213 0.000 2.361 265 I HA -0.241 4.144 4.170 0.358 0.000 0.251 265 I C 2.380 178.454 176.117 -0.071 0.000 1.133 265 I CA 1.056 62.112 61.300 -0.408 0.000 1.413 265 I CB -0.554 37.105 38.000 -0.569 0.000 1.073 265 I HN 0.378 nan 8.210 nan 0.000 0.424 266 A N 0.204 123.020 122.820 -0.008 0.000 2.167 266 A HA 0.225 4.760 4.320 0.358 0.000 0.214 266 A C 1.905 179.551 177.584 0.105 0.000 1.151 266 A CA 0.984 53.044 52.037 0.040 0.000 0.735 266 A CB -0.519 18.488 19.000 0.011 0.000 0.802 266 A HN 0.570 nan 8.150 nan 0.000 0.467 267 G N -1.001 107.907 108.800 0.179 0.000 2.144 267 G HA2 -0.223 3.951 3.960 0.358 0.000 0.218 267 G HA3 -0.223 3.951 3.960 0.358 0.000 0.218 267 G C 0.470 175.458 174.900 0.146 0.000 0.988 267 G CA 0.506 45.816 45.100 0.350 0.000 0.659 267 G HN 0.549 nan 8.290 nan 0.000 0.522 268 E N -1.088 119.089 120.200 -0.039 0.000 2.285 268 E HA 0.248 4.813 4.350 0.358 0.000 0.194 268 E C 0.323 176.524 176.600 -0.665 0.000 0.997 268 E CA 0.479 56.661 56.400 -0.364 0.000 0.845 268 E CB 0.173 29.587 29.700 -0.477 0.000 0.782 268 E HN 0.577 nan 8.360 nan 0.000 0.491 269 F N -0.269 119.753 119.950 0.119 0.000 2.593 269 F HA 0.226 4.967 4.527 0.357 0.000 0.320 269 F C 0.893 176.798 175.800 0.176 0.000 1.060 269 F CA -1.090 56.979 58.000 0.114 0.000 0.940 269 F CB 1.501 40.534 39.000 0.054 0.000 1.268 269 F HN -0.284 nan 8.300 nan 0.000 0.475 270 D N 0.617 121.222 120.400 0.342 0.000 2.149 270 D HA 0.130 4.985 4.640 0.358 0.000 0.206 270 D C 0.356 176.711 176.300 0.091 0.000 0.967 270 D CA 1.607 55.743 54.000 0.227 0.000 0.848 270 D CB 0.583 41.512 40.800 0.215 0.000 0.998 270 D HN 0.015 nan 8.370 nan 0.000 0.474 271 I N 0.470 121.105 120.570 0.108 0.000 2.894 271 I HA 0.128 4.513 4.170 0.358 0.000 0.302 271 I C -0.493 175.647 176.117 0.039 0.000 1.188 271 I CA -0.833 60.508 61.300 0.069 0.000 1.014 271 I CB 2.019 40.032 38.000 0.021 0.000 1.242 271 I HN -0.196 nan 8.210 nan 0.000 0.430 272 N N 4.061 122.771 118.700 0.016 0.000 2.415 272 N HA 0.089 5.044 4.740 0.358 0.000 0.246 272 N C 0.618 176.042 175.510 -0.144 0.000 1.078 272 N CA -0.217 52.775 53.050 -0.097 0.000 0.942 272 N CB 0.712 39.141 38.487 -0.096 0.000 1.140 272 N HN 0.620 nan 8.380 nan 0.000 0.501 273 L N 4.170 125.286 121.223 -0.178 0.000 2.046 273 L HA -0.050 4.505 4.340 0.358 0.000 0.208 273 L C 1.979 178.685 176.870 -0.273 0.000 1.077 273 L CA 1.880 56.628 54.840 -0.153 0.000 0.747 273 L CB -0.625 41.376 42.059 -0.096 0.000 0.896 273 L HN 0.727 nan 8.230 nan 0.000 0.432 274 E N -0.329 119.504 120.200 -0.610 0.000 2.118 274 E HA -0.151 4.414 4.350 0.358 0.000 0.195 274 E C 1.374 177.698 176.600 -0.460 0.000 0.992 274 E CA 1.024 56.818 56.400 -1.010 0.000 0.804 274 E CB -0.305 28.729 29.700 -1.111 0.000 0.741 274 E HN 0.668 nan 8.360 nan 0.000 0.458 275 G N 0.878 109.502 108.800 -0.293 0.000 2.160 275 G HA2 -0.308 3.867 3.960 0.358 0.000 0.244 275 G HA3 -0.308 3.867 3.960 0.358 0.000 0.244 275 G C 0.619 175.488 174.900 -0.051 0.000 1.022 275 G CA 0.438 45.445 45.100 -0.155 0.000 0.741 275 G HN 0.285 nan 8.290 nan 0.000 0.508 276 R N 0.241 120.652 120.500 -0.148 0.000 2.313 276 R HA 0.385 4.940 4.340 0.358 0.000 0.199 276 R C 1.534 177.744 176.300 -0.150 0.000 0.958 276 R CA 0.777 56.779 56.100 -0.163 0.000 1.047 276 R CB -0.007 30.163 30.300 -0.217 0.000 0.955 276 R HN 1.558 nan 8.270 nan 0.000 0.481 277 G N 0.949 109.694 108.800 -0.091 0.000 2.707 277 G HA2 -0.229 3.945 3.960 0.358 0.000 0.686 277 G HA3 -0.229 3.945 3.960 0.358 0.000 0.686 277 G C -0.488 174.354 174.900 -0.098 0.000 1.315 277 G CA -1.057 43.970 45.100 -0.121 0.000 0.832 277 G HN 0.097 nan 8.290 nan 0.000 0.573 278 L N 1.335 122.517 121.223 -0.069 0.000 2.490 278 L HA 0.134 4.689 4.340 0.358 0.000 0.274 278 L C 1.369 178.176 176.870 -0.105 0.000 1.201 278 L CA -0.345 54.459 54.840 -0.060 0.000 0.869 278 L CB 0.396 42.451 42.059 -0.006 0.000 1.123 278 L HN 0.557 nan 8.230 nan 0.000 0.484 279 Q N 1.660 121.390 119.800 -0.118 0.000 2.407 279 Q HA 0.060 4.615 4.340 0.358 0.000 0.214 279 Q C 1.079 177.023 176.000 -0.094 0.000 1.043 279 Q CA -0.148 55.552 55.803 -0.171 0.000 0.983 279 Q CB 0.365 29.018 28.738 -0.143 0.000 1.211 279 Q HN 0.544 nan 8.270 nan 0.000 0.564 280 H N 0.397 119.445 119.070 -0.037 0.000 2.321 280 H HA -0.243 4.528 4.556 0.359 0.000 0.295 280 H C 1.811 177.129 175.328 -0.018 0.000 1.102 280 H CA 1.691 57.724 56.048 -0.024 0.000 1.266 280 H CB 0.149 29.896 29.762 -0.024 0.000 1.363 280 H HN 0.747 nan 8.280 nan 0.000 0.492 281 A N 0.961 123.840 122.820 0.099 0.000 1.865 281 A HA -0.168 4.366 4.320 0.358 0.000 0.217 281 A C 2.547 180.147 177.584 0.025 0.000 1.191 281 A CA 1.705 53.769 52.037 0.046 0.000 0.623 281 A CB -1.103 17.909 19.000 0.019 0.000 0.826 281 A HN 0.496 nan 8.150 nan 0.000 0.444 282 A N -1.047 121.774 122.820 0.002 0.000 1.969 282 A HA -0.151 4.384 4.320 0.358 0.000 0.218 282 A C 2.087 179.686 177.584 0.025 0.000 1.169 282 A CA 1.508 53.535 52.037 -0.016 0.000 0.635 282 A CB -0.504 18.457 19.000 -0.064 0.000 0.810 282 A HN 0.669 nan 8.150 nan 0.000 0.445 283 Q N -0.553 119.276 119.800 0.048 0.000 2.084 283 Q HA -0.190 4.365 4.340 0.358 0.000 0.202 283 Q C 2.354 178.410 176.000 0.093 0.000 0.978 283 Q CA 1.660 57.515 55.803 0.087 0.000 0.844 283 Q CB -0.167 28.633 28.738 0.103 0.000 0.898 283 Q HN 0.641 nan 8.270 nan 0.000 0.426 284 R N 0.214 120.757 120.500 0.072 0.000 2.070 284 R HA -0.127 4.428 4.340 0.358 0.000 0.233 284 R C 2.395 178.725 176.300 0.049 0.000 1.137 284 R CA 1.462 57.593 56.100 0.051 0.000 0.945 284 R CB -0.298 30.023 30.300 0.034 0.000 0.845 284 R HN 0.140 nan 8.270 nan 0.000 0.430 285 R N 0.549 121.075 120.500 0.043 0.000 2.094 285 R HA -0.188 4.367 4.340 0.358 0.000 0.239 285 R C 2.170 178.515 176.300 0.075 0.000 1.137 285 R CA 1.960 58.085 56.100 0.041 0.000 0.943 285 R CB -0.333 29.978 30.300 0.017 0.000 0.850 285 R HN 0.278 nan 8.270 nan 0.000 0.433 286 A N -0.129 122.754 122.820 0.105 0.000 1.898 286 A HA -0.125 4.410 4.320 0.358 0.000 0.216 286 A C 2.166 179.876 177.584 0.210 0.000 1.181 286 A CA 1.884 54.037 52.037 0.194 0.000 0.620 286 A CB -0.852 18.304 19.000 0.260 0.000 0.819 286 A HN 0.664 nan 8.150 nan 0.000 0.442 287 T N -3.109 111.547 114.554 0.171 0.000 3.085 287 T HA 0.329 4.894 4.350 0.358 0.000 0.263 287 T C 1.412 176.113 174.700 0.001 0.000 1.127 287 T CA 1.180 63.344 62.100 0.107 0.000 1.103 287 T CB 0.007 68.926 68.868 0.085 0.000 0.921 287 T HN 0.492 nan 8.240 nan 0.000 0.510 288 A N 0.577 123.414 122.820 0.028 0.000 2.288 288 A HA 0.255 4.790 4.320 0.358 0.000 0.216 288 A C 0.823 178.414 177.584 0.013 0.000 1.199 288 A CA -0.189 51.849 52.037 0.001 0.000 0.891 288 A CB 0.124 19.127 19.000 0.005 0.000 0.923 288 A HN 0.534 nan 8.150 nan 0.000 0.500 289 D N 0.438 120.866 120.400 0.047 0.000 2.233 289 D HA 0.149 5.004 4.640 0.358 0.000 0.240 289 D C 0.761 177.098 176.300 0.062 0.000 1.074 289 D CA 0.061 54.096 54.000 0.058 0.000 0.838 289 D CB 1.239 42.091 40.800 0.087 0.000 1.124 289 D HN 0.492 nan 8.370 nan 0.000 0.475 290 E N 2.056 122.278 120.200 0.037 0.000 2.085 290 E HA -0.165 4.400 4.350 0.358 0.000 0.194 290 E C 1.664 178.285 176.600 0.035 0.000 0.994 290 E CA 0.910 57.323 56.400 0.022 0.000 0.801 290 E CB -0.081 29.623 29.700 0.007 0.000 0.743 290 E HN 0.252 nan 8.360 nan 0.000 0.453 291 V N 1.596 121.547 119.914 0.061 0.000 2.270 291 V HA -0.215 4.120 4.120 0.358 0.000 0.245 291 V C 2.486 178.649 176.094 0.115 0.000 1.043 291 V CA 1.556 63.896 62.300 0.067 0.000 1.014 291 V CB -0.514 31.386 31.823 0.128 0.000 0.645 291 V HN 0.276 nan 8.190 nan 0.000 0.447 292 L N -0.519 120.844 121.223 0.232 0.000 2.131 292 L HA -0.164 4.391 4.340 0.358 0.000 0.210 292 L C 2.755 179.822 176.870 0.329 0.000 1.092 292 L CA 1.474 56.551 54.840 0.394 0.000 0.759 292 L CB -0.609 41.668 42.059 0.364 0.000 0.903 292 L HN 0.251 nan 8.230 nan 0.000 0.435 293 R N -0.030 120.613 120.500 0.239 0.000 2.127 293 R HA -0.146 4.409 4.340 0.358 0.000 0.238 293 R C 2.532 178.998 176.300 0.277 0.000 1.134 293 R CA 1.584 57.891 56.100 0.344 0.000 0.975 293 R CB -0.385 30.035 30.300 0.200 0.000 0.865 293 R HN 0.469 nan 8.270 nan 0.000 0.447 294 S N -0.025 115.689 115.700 0.023 0.000 2.474 294 S HA -0.105 4.580 4.470 0.358 0.000 0.235 294 S C 1.111 175.536 174.600 -0.290 0.000 0.997 294 S CA 0.753 58.863 58.200 -0.151 0.000 0.949 294 S CB -0.094 62.931 63.200 -0.291 0.000 0.766 294 S HN 0.379 nan 8.310 nan 0.000 0.517 295 H N 0.781 119.803 119.070 -0.080 0.000 2.505 295 H HA 0.386 5.157 4.556 0.358 0.000 0.286 295 H C -0.403 174.675 175.328 -0.416 0.000 1.072 295 H CA 0.077 55.897 56.048 -0.380 0.000 1.141 295 H CB 0.236 29.567 29.762 -0.718 0.000 1.550 295 H HN 0.344 nan 8.280 nan 0.000 0.547 296 T N 1.450 115.962 114.554 -0.069 0.000 2.861 296 T HA 0.268 4.833 4.350 0.358 0.000 0.287 296 T C -0.284 174.207 174.700 -0.349 0.000 1.003 296 T CA -0.814 61.237 62.100 -0.082 0.000 0.977 296 T CB 2.441 71.391 68.868 0.137 0.000 0.996 296 T HN 0.062 nan 8.240 nan 0.000 0.448 297 D N 2.207 122.432 120.400 -0.292 0.000 2.248 297 D HA 0.322 5.177 4.640 0.358 0.000 0.246 297 D C -0.257 175.764 176.300 -0.465 0.000 1.027 297 D CA -0.533 53.233 54.000 -0.392 0.000 0.853 297 D CB 1.845 42.612 40.800 -0.055 0.000 1.243 297 D HN 0.408 nan 8.370 nan 0.000 0.462 298 N N 1.842 120.224 118.700 -0.529 0.000 2.757 298 N HA 0.214 5.169 4.740 0.358 0.000 0.296 298 N C -2.734 172.658 175.510 -0.195 0.000 1.874 298 N CA -1.569 51.273 53.050 -0.347 0.000 0.885 298 N CB 0.784 39.109 38.487 -0.271 0.000 1.242 298 N HN 0.105 nan 8.380 nan 0.000 0.488 299 P HA 0.227 nan 4.420 nan 0.000 0.276 299 P C -0.393 176.866 177.300 -0.068 0.000 1.252 299 P CA -0.323 62.722 63.100 -0.092 0.000 0.802 299 P CB 1.413 33.087 31.700 -0.044 0.000 1.035 300 R N -0.220 120.264 120.500 -0.026 0.000 2.594 300 R HA 0.186 4.741 4.340 0.358 0.000 0.272 300 R C 1.450 177.762 176.300 0.020 0.000 1.074 300 R CA 0.384 56.485 56.100 0.002 0.000 1.105 300 R CB -0.064 30.225 30.300 -0.018 0.000 1.008 300 R HN 0.539 nan 8.270 nan 0.000 0.472 301 T N -2.259 112.338 114.554 0.072 0.000 3.060 301 T HA 0.043 4.608 4.350 0.358 0.000 0.249 301 T C 0.794 175.603 174.700 0.181 0.000 1.079 301 T CA 0.124 62.310 62.100 0.143 0.000 1.013 301 T CB 0.173 69.147 68.868 0.177 0.000 0.975 301 T HN 0.582 nan 8.240 nan 0.000 0.518 302 S N -0.243 115.517 115.700 0.100 0.000 2.981 302 S HA -0.146 4.539 4.470 0.358 0.000 0.274 302 S C -0.035 174.621 174.600 0.093 0.000 1.297 302 S CA 0.357 58.565 58.200 0.012 0.000 1.266 302 S CB -2.163 60.972 63.200 -0.107 0.000 1.542 302 S HN 0.654 nan 8.310 nan 0.000 0.674 303 F N 0.926 120.928 119.950 0.088 0.000 2.418 303 F HA 0.559 5.300 4.527 0.357 0.000 0.341 303 F C 0.319 176.333 175.800 0.357 0.000 1.120 303 F CA -0.519 57.579 58.000 0.164 0.000 1.232 303 F CB 0.626 39.679 39.000 0.088 0.000 1.175 303 F HN 0.193 nan 8.300 nan 0.000 0.569 304 L N 3.525 125.130 121.223 0.637 0.000 2.322 304 L HA 0.426 4.981 4.340 0.358 0.000 0.281 304 L C -1.174 176.097 176.870 0.668 0.000 1.014 304 L CA -0.509 54.710 54.840 0.632 0.000 0.815 304 L CB 0.965 43.449 42.059 0.707 0.000 1.247 304 L HN 0.555 nan 8.230 nan 0.000 0.421 305 H N 4.955 124.248 119.070 0.372 0.000 2.488 305 H HA 0.659 5.430 4.556 0.358 0.000 0.322 305 H C -1.270 174.225 175.328 0.278 0.000 1.078 305 H CA -0.473 55.728 56.048 0.256 0.000 1.260 305 H CB 0.738 30.581 29.762 0.135 0.000 1.425 305 H HN 0.544 nan 8.280 nan 0.000 0.471 306 F N 2.072 121.855 119.950 -0.277 0.000 2.711 306 F HA 0.649 5.391 4.527 0.357 0.000 0.313 306 F C -2.007 173.616 175.800 -0.296 0.000 1.141 306 F CA -1.224 56.630 58.000 -0.244 0.000 0.941 306 F CB 0.661 39.623 39.000 -0.064 0.000 1.349 306 F HN 0.215 nan 8.300 nan 0.000 0.464 307 V N 1.958 121.825 119.914 -0.080 0.000 2.459 307 V HA 0.801 5.136 4.120 0.358 0.000 0.295 307 V C -0.058 176.068 176.094 0.054 0.000 1.029 307 V CA -0.547 61.665 62.300 -0.147 0.000 0.874 307 V CB 1.208 32.954 31.823 -0.129 0.000 0.985 307 V HN 1.134 nan 8.190 nan 0.000 0.438 308 A N 6.174 128.987 122.820 -0.012 0.000 2.306 308 A HA 0.897 5.432 4.320 0.358 0.000 0.314 308 A C -0.440 177.074 177.584 -0.116 0.000 1.164 308 A CA -0.551 51.509 52.037 0.039 0.000 0.822 308 A CB 0.836 19.879 19.000 0.071 0.000 1.130 308 A HN 0.818 nan 8.150 nan 0.000 0.496 309 M N 1.347 120.872 119.600 -0.126 0.000 2.383 309 M HA 0.349 5.044 4.480 0.358 0.000 0.325 309 M C -1.052 175.110 176.300 -0.230 0.000 1.092 309 M CA -0.549 54.588 55.300 -0.272 0.000 0.961 309 M CB 2.101 34.605 32.600 -0.160 0.000 1.672 309 M HN 0.670 nan 8.290 nan 0.000 0.438 310 Q N 3.131 122.705 119.800 -0.376 0.000 2.394 310 Q HA 0.322 4.877 4.340 0.358 0.000 0.259 310 Q C -2.001 173.768 176.000 -0.385 0.000 1.021 310 Q CA -1.767 53.750 55.803 -0.477 0.000 0.805 310 Q CB 1.141 29.404 28.738 -0.791 0.000 1.226 310 Q HN 0.256 nan 8.270 nan 0.000 0.476 311 P HA -0.199 nan 4.420 nan 0.000 0.221 311 P C 0.456 177.756 177.300 0.001 0.000 1.145 311 P CA 1.237 64.329 63.100 -0.015 0.000 0.795 311 P CB 0.177 31.899 31.700 0.036 0.000 0.775 312 H N -1.974 117.103 119.070 0.012 0.000 2.563 312 H HA 0.071 4.841 4.556 0.358 0.000 0.272 312 H C 0.337 175.678 175.328 0.023 0.000 1.005 312 H CA 0.370 56.422 56.048 0.007 0.000 1.171 312 H CB -0.347 29.408 29.762 -0.012 0.000 1.351 312 H HN 0.113 nan 8.280 nan 0.000 0.602 313 I N 3.116 123.631 120.570 -0.093 0.000 2.405 313 I HA 0.305 4.690 4.170 0.358 0.000 0.280 313 I C -2.631 173.554 176.117 0.114 0.000 1.027 313 I CA -2.887 58.421 61.300 0.013 0.000 1.161 313 I CB 1.191 39.170 38.000 -0.035 0.000 1.300 313 I HN -0.188 nan 8.210 nan 0.000 0.463 314 P HA 0.090 nan 4.420 nan 0.000 0.266 314 P C -1.939 175.299 177.300 -0.104 0.000 1.195 314 P CA -0.540 62.537 63.100 -0.039 0.000 0.768 314 P CB 0.120 31.792 31.700 -0.047 0.000 0.838 315 P HA 0.168 nan 4.420 nan 0.000 0.259 315 P C 0.269 177.253 177.300 -0.527 0.000 1.530 315 P CA 0.016 62.803 63.100 -0.521 0.000 1.022 315 P CB -0.155 31.064 31.700 -0.801 0.000 1.514 316 F N 1.775 121.588 119.950 -0.228 0.000 2.722 316 F HA -0.091 4.651 4.527 0.359 0.000 0.298 316 F C 1.952 177.678 175.800 -0.123 0.000 1.175 316 F CA 0.801 58.704 58.000 -0.163 0.000 1.462 316 F CB -0.669 38.252 39.000 -0.132 0.000 1.111 316 F HN 0.054 nan 8.300 nan 0.000 0.592 317 D N -0.749 119.655 120.400 0.006 0.000 2.264 317 D HA -0.166 4.689 4.640 0.358 0.000 0.208 317 D C 0.516 176.806 176.300 -0.016 0.000 0.966 317 D CA 0.442 54.443 54.000 0.002 0.000 0.864 317 D CB -0.537 40.260 40.800 -0.006 0.000 0.933 317 D HN 0.237 nan 8.370 nan 0.000 0.499 318 N N 1.214 119.878 118.700 -0.061 0.000 2.419 318 N HA 0.002 4.957 4.740 0.358 0.000 0.264 318 N C 0.969 176.443 175.510 -0.059 0.000 1.031 318 N CA -0.210 52.811 53.050 -0.049 0.000 0.951 318 N CB 2.317 40.765 38.487 -0.067 0.000 1.101 318 N HN -0.146 nan 8.380 nan 0.000 0.488 319 V N 4.915 124.771 119.914 -0.097 0.000 2.568 319 V HA -0.236 4.099 4.120 0.358 0.000 0.253 319 V C 1.273 177.207 176.094 -0.266 0.000 1.072 319 V CA 1.974 64.161 62.300 -0.189 0.000 1.084 319 V CB -0.646 31.033 31.823 -0.239 0.000 0.676 319 V HN 0.708 nan 8.190 nan 0.000 0.469 320 H N -1.548 117.510 119.070 -0.020 0.000 2.436 320 H HA -0.001 4.770 4.556 0.359 0.000 0.294 320 H C 2.180 177.498 175.328 -0.017 0.000 1.048 320 H CA 1.423 57.465 56.048 -0.010 0.000 1.353 320 H CB -0.055 29.709 29.762 0.003 0.000 1.414 320 H HN 0.347 nan 8.280 nan 0.000 0.536 321 V N 0.974 120.902 119.914 0.022 0.000 2.295 321 V HA -0.270 4.065 4.120 0.358 0.000 0.246 321 V C 2.268 178.385 176.094 0.039 0.000 1.049 321 V CA 1.876 64.154 62.300 -0.037 0.000 1.024 321 V CB -0.306 31.312 31.823 -0.342 0.000 0.648 321 V HN 0.412 nan 8.190 nan 0.000 0.447 322 R N -0.285 120.226 120.500 0.019 0.000 2.081 322 R HA -0.124 4.431 4.340 0.358 0.000 0.235 322 R C 2.501 178.722 176.300 -0.130 0.000 1.131 322 R CA 1.468 57.588 56.100 0.034 0.000 0.960 322 R CB -0.394 29.911 30.300 0.008 0.000 0.856 322 R HN 0.486 nan 8.270 nan 0.000 0.436 323 R N 0.425 120.785 120.500 -0.234 0.000 2.092 323 R HA -0.047 4.508 4.340 0.358 0.000 0.231 323 R C 2.384 178.575 176.300 -0.182 0.000 1.119 323 R CA 1.173 56.982 56.100 -0.483 0.000 0.970 323 R CB -0.383 29.689 30.300 -0.381 0.000 0.864 323 R HN 0.206 nan 8.270 nan 0.000 0.440 324 A N 0.912 123.764 122.820 0.053 0.000 1.883 324 A HA -0.159 4.376 4.320 0.358 0.000 0.217 324 A C 2.378 180.028 177.584 0.110 0.000 1.186 324 A CA 1.672 53.802 52.037 0.155 0.000 0.624 324 A CB -0.715 18.378 19.000 0.154 0.000 0.822 324 A HN 0.120 nan 8.150 nan 0.000 0.444 325 V N 0.301 120.263 119.914 0.080 0.000 2.287 325 V HA -0.315 4.020 4.120 0.358 0.000 0.248 325 V C 2.773 178.874 176.094 0.011 0.000 1.053 325 V CA 2.197 64.544 62.300 0.078 0.000 1.027 325 V CB -0.865 31.049 31.823 0.151 0.000 0.646 325 V HN 0.606 nan 8.190 nan 0.000 0.447 326 Q N -0.920 118.816 119.800 -0.106 0.000 2.030 326 Q HA -0.238 4.317 4.340 0.358 0.000 0.204 326 Q C 2.194 178.151 176.000 -0.071 0.000 0.986 326 Q CA 2.233 57.939 55.803 -0.162 0.000 0.843 326 Q CB -0.547 27.933 28.738 -0.429 0.000 0.904 326 Q HN 0.730 nan 8.270 nan 0.000 0.420 327 Y N 0.482 120.783 120.300 0.001 0.000 2.207 327 Y HA -0.177 4.589 4.550 0.359 0.000 0.287 327 Y C 2.297 178.220 175.900 0.039 0.000 1.156 327 Y CA 0.790 58.921 58.100 0.052 0.000 1.182 327 Y CB -0.080 38.410 38.460 0.050 0.000 0.979 327 Y HN 0.154 nan 8.280 nan 0.000 0.521 328 A N 0.025 122.952 122.820 0.178 0.000 2.251 328 A HA 0.438 4.973 4.320 0.358 0.000 0.209 328 A C 1.084 178.710 177.584 0.071 0.000 1.187 328 A CA 0.301 52.401 52.037 0.105 0.000 0.823 328 A CB -0.700 18.343 19.000 0.073 0.000 0.846 328 A HN 0.205 nan 8.150 nan 0.000 0.486 329 A N 0.644 123.506 122.820 0.069 0.000 2.409 329 A HA 0.399 4.934 4.320 0.358 0.000 0.267 329 A C -0.242 177.373 177.584 0.051 0.000 1.127 329 A CA -0.232 51.833 52.037 0.047 0.000 0.795 329 A CB 0.042 19.064 19.000 0.036 0.000 1.061 329 A HN 0.229 nan 8.150 nan 0.000 0.502 330 D N 2.876 123.300 120.400 0.040 0.000 2.468 330 D HA 0.138 4.993 4.640 0.358 0.000 0.218 330 D C 0.821 177.145 176.300 0.040 0.000 1.155 330 D CA -0.281 53.743 54.000 0.040 0.000 0.924 330 D CB 0.552 41.370 40.800 0.031 0.000 1.029 330 D HN 0.381 nan 8.370 nan 0.000 0.515 331 K N 3.261 123.689 120.400 0.046 0.000 2.097 331 K HA -0.083 4.452 4.320 0.358 0.000 0.206 331 K C 1.718 178.347 176.600 0.047 0.000 1.049 331 K CA 0.616 56.931 56.287 0.047 0.000 0.933 331 K CB 0.159 32.690 32.500 0.051 0.000 0.717 331 K HN 0.503 nan 8.250 nan 0.000 0.442 332 I N 0.912 121.507 120.570 0.043 0.000 2.202 332 I HA -0.217 4.168 4.170 0.358 0.000 0.242 332 I C 2.412 178.551 176.117 0.037 0.000 1.091 332 I CA 0.750 62.074 61.300 0.040 0.000 1.368 332 I CB -1.107 36.914 38.000 0.034 0.000 1.058 332 I HN 0.051 nan 8.210 nan 0.000 0.410 333 L N 0.726 121.969 121.223 0.033 0.000 2.046 333 L HA -0.157 4.398 4.340 0.358 0.000 0.208 333 L C 2.387 179.280 176.870 0.037 0.000 1.077 333 L CA 1.707 56.565 54.840 0.030 0.000 0.747 333 L CB -0.522 41.551 42.059 0.024 0.000 0.896 333 L HN 0.099 nan 8.230 nan 0.000 0.432 334 L N -1.103 120.146 121.223 0.043 0.000 2.056 334 L HA -0.200 4.355 4.340 0.358 0.000 0.207 334 L C 2.644 179.562 176.870 0.080 0.000 1.078 334 L CA 1.543 56.417 54.840 0.057 0.000 0.749 334 L CB -0.524 41.564 42.059 0.048 0.000 0.901 334 L HN 0.432 nan 8.230 nan 0.000 0.433 335 Q N 0.064 119.908 119.800 0.073 0.000 2.084 335 Q HA -0.241 4.314 4.340 0.358 0.000 0.202 335 Q C 1.620 177.658 176.000 0.063 0.000 0.978 335 Q CA 1.820 57.670 55.803 0.079 0.000 0.844 335 Q CB 0.100 28.880 28.738 0.070 0.000 0.898 335 Q HN 0.408 nan 8.270 nan 0.000 0.426 336 D N 0.046 120.475 120.400 0.048 0.000 2.178 336 D HA -0.120 4.735 4.640 0.358 0.000 0.201 336 D C 1.592 177.911 176.300 0.033 0.000 0.980 336 D CA 1.257 55.277 54.000 0.034 0.000 0.842 336 D CB -0.165 40.649 40.800 0.023 0.000 0.948 336 D HN 0.419 nan 8.370 nan 0.000 0.472 337 A N 0.265 123.111 122.820 0.044 0.000 1.969 337 A HA -0.098 4.437 4.320 0.358 0.000 0.218 337 A C 2.099 179.718 177.584 0.058 0.000 1.169 337 A CA 1.107 53.172 52.037 0.047 0.000 0.635 337 A CB -0.247 18.787 19.000 0.056 0.000 0.810 337 A HN 0.079 nan 8.150 nan 0.000 0.445 338 R N -1.260 119.279 120.500 0.066 0.000 2.388 338 R HA 0.297 4.852 4.340 0.358 0.000 0.247 338 R C 0.898 177.232 176.300 0.058 0.000 0.931 338 R CA 0.987 57.116 56.100 0.049 0.000 1.082 338 R CB -0.109 30.210 30.300 0.033 0.000 1.135 338 R HN 0.569 nan 8.270 nan 0.000 0.525 339 G N -1.852 106.984 108.800 0.061 0.000 2.318 339 G HA2 -0.165 4.010 3.960 0.358 0.000 0.172 339 G HA3 -0.165 4.010 3.960 0.358 0.000 0.172 339 G C 0.434 175.361 174.900 0.046 0.000 1.002 339 G CA -0.471 44.671 45.100 0.069 0.000 0.697 339 G HN 0.543 nan 8.290 nan 0.000 0.483 340 G N 0.727 109.552 108.800 0.043 0.000 2.750 340 G HA2 0.439 4.614 3.960 0.358 0.000 0.250 340 G HA3 0.439 4.614 3.960 0.358 0.000 0.250 340 G C -0.202 174.708 174.900 0.016 0.000 1.230 340 G CA 0.210 45.331 45.100 0.035 0.000 0.883 340 G HN 0.162 nan 8.290 nan 0.000 0.573 341 P HA -0.013 nan 4.420 nan 0.000 0.236 341 P C 1.294 178.610 177.300 0.026 0.000 1.177 341 P CA 1.220 64.332 63.100 0.020 0.000 0.773 341 P CB 0.146 31.853 31.700 0.011 0.000 0.878 342 V N -4.833 115.097 119.914 0.028 0.000 3.562 342 V HA 0.376 4.711 4.120 0.358 0.000 0.270 342 V C 0.702 176.830 176.094 0.058 0.000 1.418 342 V CA 0.283 62.604 62.300 0.035 0.000 1.033 342 V CB -0.899 30.935 31.823 0.019 0.000 0.820 342 V HN -0.119 nan 8.190 nan 0.000 0.441 343 N N 0.999 119.735 118.700 0.060 0.000 2.433 343 N HA 0.461 5.416 4.740 0.358 0.000 0.270 343 N C 0.866 176.419 175.510 0.071 0.000 1.354 343 N CA 0.483 53.579 53.050 0.077 0.000 0.889 343 N CB 1.149 39.691 38.487 0.091 0.000 1.285 343 N HN 0.534 nan 8.380 nan 0.000 0.503 344 G N 0.258 109.098 108.800 0.066 0.000 4.125 344 G HA2 0.520 4.695 3.960 0.358 0.000 0.301 344 G HA3 0.520 4.695 3.960 0.358 0.000 0.301 344 G C 0.772 175.716 174.900 0.074 0.000 1.273 344 G CA 0.013 45.152 45.100 0.066 0.000 1.095 344 G HN 0.378 nan 8.290 nan 0.000 0.582 345 G N 0.217 109.061 108.800 0.073 0.000 2.698 345 G HA2 -0.215 3.960 3.960 0.358 0.000 0.233 345 G HA3 -0.215 3.960 3.960 0.358 0.000 0.233 345 G C -0.874 174.089 174.900 0.104 0.000 1.352 345 G CA -0.208 44.947 45.100 0.092 0.000 0.879 345 G HN 0.394 nan 8.290 nan 0.000 0.567 346 D N 0.195 120.675 120.400 0.133 0.000 2.344 346 D HA 0.472 5.327 4.640 0.358 0.000 0.239 346 D C 0.850 177.230 176.300 0.133 0.000 1.064 346 D CA -0.432 53.650 54.000 0.137 0.000 0.829 346 D CB 1.100 41.997 40.800 0.162 0.000 1.129 346 D HN 0.450 nan 8.370 nan 0.000 0.506 347 L N 2.329 123.614 121.223 0.104 0.000 2.525 347 L HA 0.038 4.593 4.340 0.358 0.000 0.278 347 L C 0.857 177.778 176.870 0.085 0.000 1.218 347 L CA 0.852 55.741 54.840 0.082 0.000 0.878 347 L CB 0.810 42.913 42.059 0.073 0.000 1.127 347 L HN 0.283 nan 8.230 nan 0.000 0.492 348 T N 0.248 114.822 114.554 0.034 0.000 2.933 348 T HA 0.354 4.919 4.350 0.358 0.000 0.305 348 T C 0.408 175.113 174.700 0.009 0.000 1.092 348 T CA -0.100 62.015 62.100 0.024 0.000 1.008 348 T CB 1.460 70.246 68.868 -0.137 0.000 1.102 348 T HN 0.727 nan 8.240 nan 0.000 0.469 349 T N 0.733 115.302 114.554 0.026 0.000 3.054 349 T HA 0.697 5.262 4.350 0.358 0.000 0.255 349 T C 0.574 175.267 174.700 -0.012 0.000 1.035 349 T CA 0.283 62.388 62.100 0.008 0.000 0.941 349 T CB 0.235 69.107 68.868 0.007 0.000 1.026 349 T HN 0.776 nan 8.240 nan 0.000 0.533 350 A N 0.199 123.017 122.820 -0.002 0.000 2.504 350 A HA 0.849 5.384 4.320 0.358 0.000 0.285 350 A C 0.454 178.039 177.584 0.002 0.000 1.261 350 A CA -0.820 51.202 52.037 -0.027 0.000 0.741 350 A CB 0.547 19.516 19.000 -0.051 0.000 1.327 350 A HN 0.205 nan 8.150 nan 0.000 0.441 351 L N -0.901 120.286 121.223 -0.059 0.000 2.189 351 L HA 0.241 4.796 4.340 0.358 0.000 0.199 351 L C 0.303 177.234 176.870 0.101 0.000 1.074 351 L CA 0.336 55.176 54.840 0.001 0.000 0.783 351 L CB -0.386 41.581 42.059 -0.153 0.000 0.955 351 L HN 0.610 nan 8.230 nan 0.000 0.460 352 F N 1.816 121.754 119.950 -0.021 0.000 2.608 352 F HA 0.055 4.797 4.527 0.359 0.000 0.380 352 F C -1.774 173.849 175.800 -0.293 0.000 1.083 352 F CA -2.113 55.670 58.000 -0.361 0.000 1.266 352 F CB -0.178 38.715 39.000 -0.179 0.000 1.076 352 F HN -0.144 nan 8.300 nan 0.000 0.574 353 P HA 0.024 nan 4.420 nan 0.000 0.272 353 P C -2.009 174.985 177.300 -0.511 0.000 1.223 353 P CA -1.333 61.341 63.100 -0.711 0.000 0.784 353 P CB 0.141 31.474 31.700 -0.611 0.000 0.923 354 P HA -0.106 nan 4.420 nan 0.000 0.239 354 P C 0.977 178.032 177.300 -0.408 0.000 1.184 354 P CA 1.135 63.740 63.100 -0.826 0.000 0.760 354 P CB -0.644 30.590 31.700 -0.776 0.000 0.884 355 T N -2.431 111.926 114.554 -0.329 0.000 2.962 355 T HA -0.023 4.542 4.350 0.358 0.000 0.270 355 T C 0.981 175.552 174.700 -0.216 0.000 1.088 355 T CA 0.523 62.487 62.100 -0.226 0.000 1.127 355 T CB -0.687 68.061 68.868 -0.199 0.000 0.883 355 T HN 0.044 nan 8.240 nan 0.000 0.493 356 L N 1.511 122.568 121.223 -0.277 0.000 2.312 356 L HA 0.342 4.897 4.340 0.358 0.000 0.281 356 L C -1.508 175.215 176.870 -0.245 0.000 1.070 356 L CA -2.537 52.115 54.840 -0.313 0.000 0.805 356 L CB 1.329 43.075 42.059 -0.521 0.000 1.174 356 L HN -0.154 nan 8.230 nan 0.000 0.434 357 P HA -0.216 nan 4.420 nan 0.000 0.216 357 P C 1.214 178.445 177.300 -0.115 0.000 1.150 357 P CA 1.377 64.406 63.100 -0.119 0.000 0.843 357 P CB 0.265 31.915 31.700 -0.083 0.000 0.787 358 A N -1.429 121.234 122.820 -0.263 0.000 2.168 358 A HA -0.130 4.405 4.320 0.358 0.000 0.215 358 A C 0.996 178.558 177.584 -0.037 0.000 1.152 358 A CA 0.253 52.169 52.037 -0.202 0.000 0.716 358 A CB -1.679 17.071 19.000 -0.416 0.000 0.794 358 A HN 0.242 nan 8.150 nan 0.000 0.465 359 H N 1.263 120.248 119.070 -0.142 0.000 3.167 359 H HA 0.205 4.976 4.556 0.359 0.000 0.306 359 H C 0.339 175.705 175.328 0.062 0.000 0.965 359 H CA 1.573 57.638 56.048 0.029 0.000 1.408 359 H CB 0.107 29.837 29.762 -0.053 0.000 1.406 359 H HN 0.653 nan 8.280 nan 0.000 0.576 360 Q N 2.686 122.259 119.800 -0.378 0.000 2.511 360 Q HA 0.326 4.881 4.340 0.358 0.000 0.289 360 Q C -1.407 174.433 176.000 -0.265 0.000 1.021 360 Q CA -1.315 54.366 55.803 -0.204 0.000 0.785 360 Q CB 1.373 30.090 28.738 -0.035 0.000 1.472 360 Q HN 0.472 nan 8.270 nan 0.000 0.411 361 D N 1.382 121.707 120.400 -0.125 0.000 2.343 361 D HA 0.428 5.283 4.640 0.358 0.000 0.255 361 D C -1.057 175.201 176.300 -0.071 0.000 1.187 361 D CA 0.203 54.153 54.000 -0.083 0.000 0.875 361 D CB 0.928 41.707 40.800 -0.036 0.000 1.136 361 D HN 0.415 nan 8.370 nan 0.000 0.469 362 L N 2.890 124.067 121.223 -0.076 0.000 2.639 362 L HA 0.339 4.894 4.340 0.358 0.000 0.264 362 L C -1.804 175.014 176.870 -0.086 0.000 0.948 362 L CA -0.349 54.443 54.840 -0.081 0.000 0.912 362 L CB 2.184 44.193 42.059 -0.083 0.000 1.294 362 L HN 0.081 nan 8.230 nan 0.000 0.412 363 D N 4.241 124.578 120.400 -0.105 0.000 2.472 363 D HA 0.274 5.129 4.640 0.358 0.000 0.248 363 D C 0.556 176.738 176.300 -0.197 0.000 1.271 363 D CA -0.220 53.713 54.000 -0.111 0.000 0.888 363 D CB 0.571 41.344 40.800 -0.045 0.000 1.337 363 D HN 0.561 nan 8.370 nan 0.000 0.526 364 L N 1.064 122.050 121.223 -0.396 0.000 2.217 364 L HA 0.022 4.577 4.340 0.358 0.000 0.211 364 L C 0.262 176.637 176.870 -0.825 0.000 1.107 364 L CA 0.835 55.253 54.840 -0.703 0.000 0.783 364 L CB -0.122 41.284 42.059 -1.088 0.000 0.919 364 L HN 0.385 nan 8.230 nan 0.000 0.442 365 Y N -0.259 119.966 120.300 -0.125 0.000 2.562 365 Y HA 0.320 5.085 4.550 0.358 0.000 0.363 365 Y C -2.176 173.699 175.900 -0.043 0.000 0.991 365 Y CA -2.616 55.297 58.100 -0.312 0.000 1.121 365 Y CB 0.026 38.074 38.460 -0.687 0.000 1.159 365 Y HN -0.040 nan 8.280 nan 0.000 0.651 366 P HA 0.009 nan 4.420 nan 0.000 0.269 366 P C 0.643 178.096 177.300 0.254 0.000 1.209 366 P CA 0.131 63.337 63.100 0.177 0.000 0.776 366 P CB 1.240 33.019 31.700 0.132 0.000 0.876 367 T N -1.045 113.611 114.554 0.169 0.000 3.251 367 T HA 0.501 5.066 4.350 0.358 0.000 0.259 367 T C 0.729 175.497 174.700 0.112 0.000 0.998 367 T CA 0.002 62.200 62.100 0.163 0.000 0.905 367 T CB -1.055 67.885 68.868 0.121 0.000 1.067 367 T HN 0.835 nan 8.240 nan 0.000 0.569 368 G N 2.796 111.656 108.800 0.101 0.000 2.756 368 G HA2 -0.087 4.088 3.960 0.358 0.000 0.678 368 G HA3 -0.087 4.088 3.960 0.358 0.000 0.678 368 G C -1.953 172.978 174.900 0.052 0.000 1.349 368 G CA -0.428 44.710 45.100 0.064 0.000 0.847 368 G HN 0.154 nan 8.290 nan 0.000 0.548 369 P HA 0.056 nan 4.420 nan 0.000 0.226 369 P C 0.822 178.141 177.300 0.033 0.000 1.153 369 P CA 1.923 65.043 63.100 0.033 0.000 0.777 369 P CB 0.025 31.741 31.700 0.025 0.000 0.794 370 D N -0.555 119.865 120.400 0.033 0.000 2.395 370 D HA 0.014 4.869 4.640 0.358 0.000 0.213 370 D C 0.971 177.294 176.300 0.038 0.000 1.110 370 D CA -0.460 53.559 54.000 0.032 0.000 0.835 370 D CB -0.867 39.949 40.800 0.026 0.000 0.965 370 D HN 0.073 nan 8.370 nan 0.000 0.505 371 L N -0.680 120.571 121.223 0.046 0.000 4.179 371 L HA -0.253 4.302 4.340 0.358 0.000 0.418 371 L C 1.046 177.947 176.870 0.052 0.000 1.168 371 L CA 0.346 55.218 54.840 0.053 0.000 0.972 371 L CB -1.317 40.772 42.059 0.050 0.000 2.005 371 L HN 0.159 nan 8.230 nan 0.000 0.935 372 R N 0.736 121.265 120.500 0.048 0.000 2.362 372 R HA 0.431 4.986 4.340 0.358 0.000 0.227 372 R C 0.940 177.270 176.300 0.050 0.000 0.905 372 R CA 0.791 56.917 56.100 0.043 0.000 1.067 372 R CB 1.165 31.485 30.300 0.033 0.000 1.078 372 R HN 0.488 nan 8.270 nan 0.000 0.516 373 G N 1.547 110.387 108.800 0.067 0.000 2.931 373 G HA2 -0.159 4.016 3.960 0.358 0.000 0.675 373 G HA3 -0.159 4.016 3.960 0.358 0.000 0.675 373 G C -1.684 173.264 174.900 0.081 0.000 1.339 373 G CA -0.874 44.275 45.100 0.083 0.000 0.866 373 G HN 0.030 nan 8.290 nan 0.000 0.616 374 D N 2.356 122.826 120.400 0.116 0.000 2.479 374 D HA 0.357 5.212 4.640 0.358 0.000 0.218 374 D C 1.782 178.092 176.300 0.016 0.000 1.131 374 D CA -0.633 53.401 54.000 0.055 0.000 0.916 374 D CB 0.594 41.420 40.800 0.043 0.000 1.022 374 D HN 0.306 nan 8.370 nan 0.000 0.515 375 L N 1.999 123.226 121.223 0.007 0.000 2.179 375 L HA -0.056 4.499 4.340 0.358 0.000 0.208 375 L C 1.520 178.371 176.870 -0.031 0.000 1.096 375 L CA 0.460 55.301 54.840 0.001 0.000 0.779 375 L CB -0.068 41.994 42.059 0.004 0.000 0.922 375 L HN 0.236 nan 8.230 nan 0.000 0.443 376 D N 0.970 121.339 120.400 -0.052 0.000 2.097 376 D HA -0.167 4.688 4.640 0.358 0.000 0.195 376 D C 2.282 178.507 176.300 -0.125 0.000 0.989 376 D CA 1.635 55.592 54.000 -0.071 0.000 0.827 376 D CB -0.022 40.739 40.800 -0.065 0.000 0.966 376 D HN 0.281 nan 8.370 nan 0.000 0.456 377 A N 1.106 123.786 122.820 -0.233 0.000 1.902 377 A HA -0.071 4.464 4.320 0.358 0.000 0.217 377 A C 2.330 179.731 177.584 -0.306 0.000 1.181 377 A CA 2.398 54.151 52.037 -0.473 0.000 0.623 377 A CB -0.782 17.551 19.000 -1.112 0.000 0.818 377 A HN 0.243 nan 8.150 nan 0.000 0.443 378 A N -0.258 122.492 122.820 -0.116 0.000 1.877 378 A HA -0.180 4.355 4.320 0.358 0.000 0.216 378 A C 2.247 179.857 177.584 0.044 0.000 1.186 378 A CA 1.643 53.727 52.037 0.078 0.000 0.620 378 A CB -0.475 18.591 19.000 0.110 0.000 0.822 378 A HN 0.546 nan 8.150 nan 0.000 0.443 379 R N -0.648 119.852 120.500 0.000 0.000 2.096 379 R HA -0.047 4.508 4.340 0.358 0.000 0.235 379 R C 2.423 178.720 176.300 -0.004 0.000 1.127 379 R CA 1.103 57.204 56.100 0.001 0.000 0.968 379 R CB -0.403 29.889 30.300 -0.013 0.000 0.861 379 R HN 0.527 nan 8.270 nan 0.000 0.440 380 A N 1.158 123.962 122.820 -0.026 0.000 1.930 380 A HA -0.145 4.390 4.320 0.358 0.000 0.217 380 A C 1.841 179.422 177.584 -0.005 0.000 1.175 380 A CA 1.155 53.175 52.037 -0.029 0.000 0.627 380 A CB -0.168 18.800 19.000 -0.053 0.000 0.815 380 A HN 0.146 nan 8.150 nan 0.000 0.443 381 E N 0.199 120.429 120.200 0.050 0.000 2.077 381 E HA -0.148 4.417 4.350 0.358 0.000 0.193 381 E C 2.043 178.696 176.600 0.087 0.000 0.989 381 E CA 0.996 57.473 56.400 0.128 0.000 0.800 381 E CB -0.451 29.389 29.700 0.232 0.000 0.746 381 E HN 0.679 nan 8.360 nan 0.000 0.452 382 L N 0.518 121.785 121.223 0.074 0.000 2.093 382 L HA -0.138 4.417 4.340 0.358 0.000 0.208 382 L C 2.574 179.457 176.870 0.022 0.000 1.085 382 L CA 1.003 55.885 54.840 0.070 0.000 0.755 382 L CB -0.536 41.572 42.059 0.082 0.000 0.904 382 L HN 0.056 nan 8.230 nan 0.000 0.435 383 A N 0.243 123.061 122.820 -0.003 0.000 1.908 383 A HA -0.230 4.305 4.320 0.358 0.000 0.218 383 A C 2.541 180.085 177.584 -0.068 0.000 1.181 383 A CA 1.884 53.903 52.037 -0.030 0.000 0.627 383 A CB -0.771 18.209 19.000 -0.034 0.000 0.818 383 A HN 0.406 nan 8.150 nan 0.000 0.445 384 A N -0.389 122.358 122.820 -0.121 0.000 1.978 384 A HA 0.165 4.700 4.320 0.358 0.000 0.220 384 A C 2.346 179.817 177.584 -0.189 0.000 1.170 384 A CA 1.969 53.844 52.037 -0.271 0.000 0.636 384 A CB -0.795 17.816 19.000 -0.649 0.000 0.810 384 A HN 1.133 nan 8.150 nan 0.000 0.448 385 A N -1.906 120.878 122.820 -0.060 0.000 2.167 385 A HA 0.389 4.924 4.320 0.358 0.000 0.214 385 A C 1.878 179.439 177.584 -0.039 0.000 1.151 385 A CA 1.268 53.299 52.037 -0.009 0.000 0.735 385 A CB -0.910 18.091 19.000 0.001 0.000 0.802 385 A HN 1.907 nan 8.150 nan 0.000 0.467 386 G N -1.405 107.371 108.800 -0.039 0.000 2.143 386 G HA2 -0.211 3.964 3.960 0.358 0.000 0.248 386 G HA3 -0.211 3.964 3.960 0.358 0.000 0.248 386 G C 0.127 175.016 174.900 -0.019 0.000 0.991 386 G CA 0.417 45.498 45.100 -0.032 0.000 0.689 386 G HN 0.608 nan 8.290 nan 0.000 0.522 387 L N 0.635 121.856 121.223 -0.003 0.000 2.784 387 L HA 0.288 4.843 4.340 0.358 0.000 0.241 387 L C -0.930 175.976 176.870 0.059 0.000 1.352 387 L CA -1.603 53.260 54.840 0.038 0.000 0.911 387 L CB 1.225 43.323 42.059 0.066 0.000 1.227 387 L HN -0.036 nan 8.230 nan 0.000 0.501 388 P HA -0.107 nan 4.420 nan 0.000 0.223 388 P C 0.371 177.684 177.300 0.020 0.000 1.151 388 P CA 1.070 64.182 63.100 0.020 0.000 0.787 388 P CB 0.446 32.147 31.700 0.003 0.000 0.788 389 D N -0.768 119.647 120.400 0.024 0.000 2.369 389 D HA 0.237 5.092 4.640 0.358 0.000 0.211 389 D C 1.397 177.699 176.300 0.003 0.000 1.077 389 D CA 0.712 54.718 54.000 0.010 0.000 0.842 389 D CB 0.782 41.587 40.800 0.007 0.000 0.947 389 D HN 0.165 nan 8.370 nan 0.000 0.509 390 G N 1.020 109.842 108.800 0.037 0.000 2.512 390 G HA2 0.029 4.204 3.960 0.358 0.000 0.210 390 G HA3 0.029 4.204 3.960 0.358 0.000 0.210 390 G C -0.657 174.315 174.900 0.119 0.000 1.295 390 G CA -0.420 44.673 45.100 -0.012 0.000 0.934 390 G HN 0.299 nan 8.290 nan 0.000 0.554 391 F N -2.862 117.060 119.950 -0.046 0.000 2.944 391 F HA 0.807 5.548 4.527 0.358 0.000 0.324 391 F C -0.762 175.019 175.800 -0.030 0.000 1.151 391 F CA -1.474 56.493 58.000 -0.054 0.000 0.883 391 F CB 0.590 39.529 39.000 -0.102 0.000 1.341 391 F HN 0.685 nan 8.300 nan 0.000 0.456 392 R N 1.320 121.944 120.500 0.207 0.000 2.474 392 R HA 0.931 5.486 4.340 0.358 0.000 0.295 392 R C -0.854 175.613 176.300 0.278 0.000 0.980 392 R CA -0.774 55.399 56.100 0.121 0.000 0.934 392 R CB 1.775 32.127 30.300 0.087 0.000 1.101 392 R HN 1.034 nan 8.270 nan 0.000 0.469 393 A N 1.779 124.724 122.820 0.208 0.000 2.588 393 A HA 0.672 5.207 4.320 0.358 0.000 0.290 393 A C -1.450 176.245 177.584 0.184 0.000 1.136 393 A CA -0.634 51.596 52.037 0.322 0.000 0.681 393 A CB 1.739 21.127 19.000 0.648 0.000 1.282 393 A HN 0.368 nan 8.150 nan 0.000 0.421 394 V N 0.910 120.924 119.914 0.166 0.000 2.540 394 V HA 0.531 4.866 4.120 0.358 0.000 0.302 394 V C -0.591 175.522 176.094 0.030 0.000 1.035 394 V CA -0.322 62.026 62.300 0.080 0.000 0.873 394 V CB 1.603 33.468 31.823 0.071 0.000 0.992 394 V HN 0.768 nan 8.190 nan 0.000 0.428 395 I N 3.192 123.767 120.570 0.008 0.000 2.354 395 I HA 0.751 5.136 4.170 0.358 0.000 0.292 395 I C 0.673 176.781 176.117 -0.015 0.000 0.989 395 I CA -0.100 61.182 61.300 -0.029 0.000 1.188 395 I CB 1.152 39.134 38.000 -0.030 0.000 1.342 395 I HN 0.746 nan 8.210 nan 0.000 0.457 396 G N 4.514 113.302 108.800 -0.021 0.000 2.372 396 G HA2 0.538 4.713 3.960 0.358 0.000 0.283 396 G HA3 0.538 4.713 3.960 0.358 0.000 0.283 396 G C -0.602 174.352 174.900 0.090 0.000 1.177 396 G CA -0.069 45.046 45.100 0.026 0.000 0.842 396 G HN 0.634 nan 8.290 nan 0.000 0.503 397 T N -0.256 114.379 114.554 0.135 0.000 2.653 397 T HA 0.588 5.153 4.350 0.358 0.000 0.306 397 T C -1.317 173.344 174.700 -0.065 0.000 1.426 397 T CA -0.542 61.609 62.100 0.084 0.000 1.008 397 T CB 1.396 70.283 68.868 0.032 0.000 1.692 397 T HN 0.861 nan 8.240 nan 0.000 0.483 398 Q N 0.550 120.205 119.800 -0.241 0.000 2.484 398 Q HA 0.686 5.241 4.340 0.358 0.000 0.285 398 Q C -0.367 175.528 176.000 -0.174 0.000 1.097 398 Q CA -1.305 54.313 55.803 -0.309 0.000 0.802 398 Q CB 1.691 30.031 28.738 -0.663 0.000 1.444 398 Q HN 0.822 nan 8.270 nan 0.000 0.429 399 R N 0.187 120.597 120.500 -0.149 0.000 2.784 399 R HA 0.545 5.100 4.340 0.358 0.000 0.266 399 R C 0.397 176.625 176.300 -0.119 0.000 1.044 399 R CA 0.542 56.582 56.100 -0.100 0.000 1.151 399 R CB -0.250 30.000 30.300 -0.083 0.000 1.037 399 R HN 1.083 nan 8.270 nan 0.000 0.478 400 G N 0.064 108.822 108.800 -0.070 0.000 2.475 400 G HA2 -0.281 3.894 3.960 0.358 0.000 0.223 400 G HA3 -0.281 3.894 3.960 0.358 0.000 0.223 400 G C 0.652 175.546 174.900 -0.010 0.000 1.201 400 G CA 0.579 45.641 45.100 -0.064 0.000 0.962 400 G HN 0.819 nan 8.290 nan 0.000 0.586 401 K N -1.034 119.363 120.400 -0.005 0.000 2.097 401 K HA 0.254 4.789 4.320 0.358 0.000 0.206 401 K C 2.414 179.145 176.600 0.218 0.000 1.049 401 K CA 2.486 58.822 56.287 0.081 0.000 0.933 401 K CB -0.593 31.943 32.500 0.060 0.000 0.717 401 K HN 0.645 nan 8.250 nan 0.000 0.442 402 F N 0.941 120.849 119.950 -0.070 0.000 2.216 402 F HA -0.000 4.742 4.527 0.358 0.000 0.300 402 F C 2.485 178.259 175.800 -0.044 0.000 1.085 402 F CA 1.218 59.189 58.000 -0.048 0.000 1.326 402 F CB -0.507 38.400 39.000 -0.156 0.000 1.027 402 F HN 0.229 nan 8.300 nan 0.000 0.497 403 R N 0.815 121.392 120.500 0.129 0.000 2.092 403 R HA -0.074 4.481 4.340 0.358 0.000 0.231 403 R C 2.026 178.354 176.300 0.047 0.000 1.119 403 R CA 1.344 57.475 56.100 0.053 0.000 0.970 403 R CB -0.929 29.378 30.300 0.012 0.000 0.864 403 R HN 0.315 nan 8.270 nan 0.000 0.440 404 L N -0.427 120.831 121.223 0.058 0.000 2.093 404 L HA -0.106 4.449 4.340 0.358 0.000 0.208 404 L C 2.228 179.131 176.870 0.055 0.000 1.085 404 L CA 0.877 55.745 54.840 0.047 0.000 0.755 404 L CB -0.405 41.682 42.059 0.047 0.000 0.904 404 L HN 0.025 nan 8.230 nan 0.000 0.435 405 V N 0.137 120.101 119.914 0.083 0.000 2.307 405 V HA -0.267 4.068 4.120 0.358 0.000 0.245 405 V C 2.800 178.914 176.094 0.032 0.000 1.045 405 V CA 1.757 64.108 62.300 0.085 0.000 1.024 405 V CB -0.900 31.032 31.823 0.181 0.000 0.651 405 V HN 0.466 nan 8.190 nan 0.000 0.449 406 A N 0.081 122.913 122.820 0.020 0.000 1.917 406 A HA -0.300 4.235 4.320 0.358 0.000 0.219 406 A C 1.988 179.573 177.584 0.003 0.000 1.182 406 A CA 2.212 54.248 52.037 -0.003 0.000 0.633 406 A CB -0.742 18.257 19.000 -0.000 0.000 0.819 406 A HN 0.550 nan 8.150 nan 0.000 0.448 407 D N 0.027 120.434 120.400 0.011 0.000 2.123 407 D HA -0.110 4.745 4.640 0.358 0.000 0.196 407 D C 2.193 178.497 176.300 0.007 0.000 0.992 407 D CA 1.642 55.647 54.000 0.007 0.000 0.833 407 D CB -0.465 40.341 40.800 0.010 0.000 0.954 407 D HN 0.461 nan 8.370 nan 0.000 0.455 408 A N 0.489 123.317 122.820 0.014 0.000 1.969 408 A HA -0.101 4.434 4.320 0.358 0.000 0.218 408 A C 2.526 180.114 177.584 0.008 0.000 1.169 408 A CA 0.978 53.023 52.037 0.014 0.000 0.635 408 A CB -0.546 18.469 19.000 0.025 0.000 0.810 408 A HN 0.149 nan 8.150 nan 0.000 0.445 409 V N -0.437 119.478 119.914 0.001 0.000 2.307 409 V HA -0.217 4.118 4.120 0.358 0.000 0.245 409 V C 2.563 178.654 176.094 -0.005 0.000 1.045 409 V CA 1.891 64.188 62.300 -0.005 0.000 1.024 409 V CB -0.822 30.991 31.823 -0.018 0.000 0.651 409 V HN 0.363 nan 8.190 nan 0.000 0.449 410 V N 0.123 120.033 119.914 -0.006 0.000 2.287 410 V HA -0.344 3.991 4.120 0.358 0.000 0.248 410 V C 2.481 178.566 176.094 -0.015 0.000 1.053 410 V CA 2.568 64.861 62.300 -0.012 0.000 1.027 410 V CB -0.591 31.227 31.823 -0.009 0.000 0.646 410 V HN 0.691 nan 8.190 nan 0.000 0.447 411 E N -0.092 120.104 120.200 -0.008 0.000 2.077 411 E HA -0.194 4.371 4.350 0.358 0.000 0.193 411 E C 2.346 178.942 176.600 -0.006 0.000 0.989 411 E CA 1.501 57.897 56.400 -0.007 0.000 0.800 411 E CB -0.109 29.590 29.700 -0.001 0.000 0.746 411 E HN 0.592 nan 8.360 nan 0.000 0.452 412 S N 0.764 116.464 115.700 -0.001 0.000 2.359 412 S HA -0.172 4.513 4.470 0.358 0.000 0.223 412 S C 1.928 176.525 174.600 -0.004 0.000 1.039 412 S CA 1.354 59.557 58.200 0.005 0.000 1.042 412 S CB -0.260 62.947 63.200 0.013 0.000 0.915 412 S HN 0.309 nan 8.310 nan 0.000 0.439 413 L N 0.879 122.093 121.223 -0.016 0.000 2.240 413 L HA 0.061 4.616 4.340 0.358 0.000 0.211 413 L C 2.683 179.513 176.870 -0.066 0.000 1.106 413 L CA 0.676 55.493 54.840 -0.038 0.000 0.793 413 L CB -0.708 41.322 42.059 -0.048 0.000 0.927 413 L HN 0.302 nan 8.230 nan 0.000 0.446 414 A N 0.737 123.525 122.820 -0.054 0.000 1.986 414 A HA -0.229 4.306 4.320 0.358 0.000 0.220 414 A C 2.347 179.904 177.584 -0.046 0.000 1.171 414 A CA 1.469 53.472 52.037 -0.056 0.000 0.640 414 A CB -0.487 18.490 19.000 -0.038 0.000 0.811 414 A HN 0.368 nan 8.150 nan 0.000 0.451 415 R N -0.664 119.817 120.500 -0.031 0.000 2.200 415 R HA -0.093 4.462 4.340 0.358 0.000 0.234 415 R C 1.241 177.526 176.300 -0.025 0.000 1.127 415 R CA 1.551 57.639 56.100 -0.021 0.000 0.989 415 R CB -0.400 29.896 30.300 -0.008 0.000 0.869 415 R HN 0.630 nan 8.270 nan 0.000 0.459 416 V N -4.110 115.782 119.914 -0.037 0.000 3.085 416 V HA 0.511 4.845 4.120 0.358 0.000 0.345 416 V C 0.740 176.793 176.094 -0.069 0.000 1.397 416 V CA 0.158 62.435 62.300 -0.038 0.000 1.165 416 V CB 0.365 32.178 31.823 -0.018 0.000 1.153 416 V HN 0.340 nan 8.190 nan 0.000 0.495 417 G N 1.261 110.010 108.800 -0.085 0.000 2.143 417 G HA2 -0.244 3.931 3.960 0.358 0.000 0.249 417 G HA3 -0.244 3.931 3.960 0.358 0.000 0.249 417 G C -0.046 174.731 174.900 -0.204 0.000 0.981 417 G CA 0.335 45.371 45.100 -0.106 0.000 0.665 417 G HN 0.644 nan 8.290 nan 0.000 0.528 418 I N 1.362 121.762 120.570 -0.283 0.000 2.308 418 I HA 0.256 4.641 4.170 0.358 0.000 0.293 418 I C 0.608 176.547 176.117 -0.297 0.000 1.078 418 I CA -0.145 60.845 61.300 -0.518 0.000 1.292 418 I CB 1.126 38.775 38.000 -0.586 0.000 1.423 418 I HN 0.244 nan 8.210 nan 0.000 0.493 419 E N 8.104 128.152 120.200 -0.253 0.000 2.046 419 E HA 0.392 4.957 4.350 0.358 0.000 0.279 419 E C -1.208 175.349 176.600 -0.071 0.000 0.989 419 E CA -0.527 55.802 56.400 -0.119 0.000 0.798 419 E CB 0.838 30.492 29.700 -0.077 0.000 1.086 419 E HN 0.575 nan 8.360 nan 0.000 0.399 420 L N 4.072 125.269 121.223 -0.044 0.000 2.309 420 L HA 0.411 4.966 4.340 0.358 0.000 0.282 420 L C 0.237 177.111 176.870 0.007 0.000 1.036 420 L CA -0.694 54.146 54.840 0.000 0.000 0.806 420 L CB 1.860 43.921 42.059 0.004 0.000 1.220 420 L HN 0.613 nan 8.230 nan 0.000 0.429 421 T N -0.021 114.547 114.554 0.023 0.000 2.859 421 T HA 0.594 5.159 4.350 0.358 0.000 0.281 421 T C -0.299 174.411 174.700 0.017 0.000 1.005 421 T CA -0.745 61.366 62.100 0.018 0.000 1.025 421 T CB 1.835 70.718 68.868 0.026 0.000 0.977 421 T HN 0.162 nan 8.240 nan 0.000 0.458 422 V N 2.731 122.649 119.914 0.008 0.000 2.465 422 V HA 0.545 4.880 4.120 0.358 0.000 0.279 422 V C 0.181 176.274 176.094 -0.001 0.000 1.045 422 V CA -0.733 61.569 62.300 0.003 0.000 0.938 422 V CB 1.168 32.991 31.823 -0.001 0.000 0.986 422 V HN 0.981 nan 8.190 nan 0.000 0.467 423 K N 4.095 124.493 120.400 -0.003 0.000 2.425 423 K HA 0.394 4.929 4.320 0.358 0.000 0.259 423 K C -0.269 176.318 176.600 -0.021 0.000 0.978 423 K CA -0.192 56.083 56.287 -0.021 0.000 0.883 423 K CB 0.989 33.474 32.500 -0.026 0.000 1.110 423 K HN 0.733 nan 8.250 nan 0.000 0.436 424 E N 4.337 124.517 120.200 -0.033 0.000 2.259 424 E HA 0.224 4.789 4.350 0.358 0.000 0.281 424 E C -0.448 176.129 176.600 -0.038 0.000 1.027 424 E CA -0.449 55.933 56.400 -0.030 0.000 0.838 424 E CB 1.064 30.739 29.700 -0.041 0.000 1.066 424 E HN 0.466 nan 8.360 nan 0.000 0.401 425 L N 1.904 123.137 121.223 0.015 0.000 2.334 425 L HA 0.263 4.818 4.340 0.358 0.000 0.270 425 L C 0.152 177.038 176.870 0.025 0.000 1.018 425 L CA -1.100 53.755 54.840 0.026 0.000 0.811 425 L CB 1.269 43.401 42.059 0.122 0.000 1.271 425 L HN 0.532 nan 8.230 nan 0.000 0.443 426 D N 0.274 120.674 120.400 -0.000 0.000 2.586 426 D HA -0.039 4.816 4.640 0.358 0.000 0.234 426 D C 0.865 177.171 176.300 0.010 0.000 1.132 426 D CA 0.123 54.120 54.000 -0.005 0.000 0.860 426 D CB 1.133 41.928 40.800 -0.008 0.000 1.159 426 D HN 0.240 nan 8.370 nan 0.000 0.490 427 V N 4.540 124.434 119.914 -0.033 0.000 2.295 427 V HA -0.248 4.087 4.120 0.358 0.000 0.246 427 V C 2.330 178.425 176.094 0.002 0.000 1.049 427 V CA 2.180 64.439 62.300 -0.067 0.000 1.024 427 V CB -0.944 30.824 31.823 -0.092 0.000 0.648 427 V HN 0.800 nan 8.190 nan 0.000 0.447 428 A N 0.570 123.405 122.820 0.026 0.000 1.902 428 A HA -0.196 4.339 4.320 0.358 0.000 0.217 428 A C 2.234 179.878 177.584 0.099 0.000 1.181 428 A CA 2.388 54.465 52.037 0.066 0.000 0.623 428 A CB -0.745 18.286 19.000 0.052 0.000 0.818 428 A HN 0.641 nan 8.150 nan 0.000 0.443 429 T N -4.901 109.694 114.554 0.070 0.000 3.145 429 T HA 0.138 4.703 4.350 0.358 0.000 0.255 429 T C 1.218 175.933 174.700 0.026 0.000 1.039 429 T CA 0.321 62.459 62.100 0.063 0.000 0.928 429 T CB -0.403 68.484 68.868 0.032 0.000 1.029 429 T HN 0.343 nan 8.240 nan 0.000 0.554 430 Y N 1.866 122.070 120.300 -0.159 0.000 2.114 430 Y HA -0.083 4.681 4.550 0.358 0.000 0.282 430 Y C 1.296 176.951 175.900 -0.408 0.000 1.165 430 Y CA 1.222 59.107 58.100 -0.358 0.000 1.148 430 Y CB -0.440 37.641 38.460 -0.631 0.000 0.972 430 Y HN 0.358 nan 8.280 nan 0.000 0.504 431 F N -0.963 119.007 119.950 0.034 0.000 2.615 431 F HA -0.045 4.699 4.527 0.360 0.000 0.297 431 F C 2.441 178.124 175.800 -0.196 0.000 1.124 431 F CA 0.711 58.630 58.000 -0.135 0.000 1.451 431 F CB -0.237 38.829 39.000 0.111 0.000 1.103 431 F HN 0.107 nan 8.300 nan 0.000 0.569 432 S N -0.184 115.542 115.700 0.043 0.000 2.438 432 S HA 0.108 4.793 4.470 0.358 0.000 0.220 432 S C 1.470 176.066 174.600 -0.006 0.000 1.045 432 S CA 0.358 58.573 58.200 0.024 0.000 0.940 432 S CB -0.517 62.730 63.200 0.079 0.000 0.863 432 S HN 0.312 nan 8.310 nan 0.000 0.539 433 L N 1.047 122.265 121.223 -0.008 0.000 2.664 433 L HA 0.434 4.989 4.340 0.358 0.000 0.233 433 L C 1.939 178.776 176.870 -0.054 0.000 1.113 433 L CA 0.238 55.089 54.840 0.019 0.000 0.896 433 L CB -0.037 42.026 42.059 0.008 0.000 1.163 433 L HN 0.504 nan 8.230 nan 0.000 0.497 434 G N -0.193 108.505 108.800 -0.169 0.000 2.964 434 G HA2 0.167 4.342 3.960 0.358 0.000 0.191 434 G HA3 0.167 4.342 3.960 0.358 0.000 0.191 434 G C 1.462 176.132 174.900 -0.383 0.000 1.978 434 G CA 0.575 45.511 45.100 -0.272 0.000 0.861 434 G HN 0.134 nan 8.290 nan 0.000 0.584 435 A N 0.115 122.464 122.820 -0.784 0.000 1.948 435 A HA 0.061 4.596 4.320 0.358 0.000 0.220 435 A C 2.436 179.757 177.584 -0.438 0.000 1.177 435 A CA 2.353 53.992 52.037 -0.665 0.000 0.636 435 A CB -1.095 17.308 19.000 -0.995 0.000 0.815 435 A HN 0.930 nan 8.150 nan 0.000 0.449 436 G N -2.649 105.886 108.800 -0.442 0.000 2.848 436 G HA2 0.075 4.250 3.960 0.358 0.000 0.208 436 G HA3 0.075 4.250 3.960 0.358 0.000 0.208 436 G C 0.445 175.226 174.900 -0.198 0.000 1.152 436 G CA 0.258 45.146 45.100 -0.353 0.000 0.789 436 G HN 0.581 nan 8.290 nan 0.000 0.531 437 H N 0.145 119.098 119.070 -0.196 0.000 2.638 437 H HA 0.300 5.071 4.556 0.358 0.000 0.317 437 H C -1.892 173.373 175.328 -0.105 0.000 1.006 437 H CA -1.944 54.028 56.048 -0.127 0.000 1.222 437 H CB 2.605 32.311 29.762 -0.094 0.000 1.419 437 H HN -0.100 nan 8.280 nan 0.000 0.489 438 P HA -0.173 nan 4.420 nan 0.000 0.217 438 P C 0.847 178.208 177.300 0.102 0.000 1.148 438 P CA 1.439 64.534 63.100 -0.010 0.000 0.834 438 P CB 0.487 32.106 31.700 -0.134 0.000 0.783 439 E N -1.597 118.785 120.200 0.303 0.000 2.158 439 E HA -0.077 4.488 4.350 0.358 0.000 0.191 439 E C 1.820 178.427 176.600 0.013 0.000 0.982 439 E CA 1.162 57.625 56.400 0.104 0.000 0.823 439 E CB -0.584 29.140 29.700 0.041 0.000 0.766 439 E HN 0.243 nan 8.360 nan 0.000 0.468 440 T N 0.782 115.347 114.554 0.019 0.000 2.746 440 T HA -0.121 4.444 4.350 0.358 0.000 0.267 440 T C 2.097 176.848 174.700 0.085 0.000 1.039 440 T CA 0.968 63.092 62.100 0.040 0.000 1.142 440 T CB -0.158 68.723 68.868 0.020 0.000 0.866 440 T HN -0.020 nan 8.240 nan 0.000 0.444 441 V N 1.297 121.248 119.914 0.061 0.000 2.343 441 V HA -0.157 4.178 4.120 0.358 0.000 0.247 441 V C 2.597 178.735 176.094 0.074 0.000 1.051 441 V CA 1.639 63.974 62.300 0.060 0.000 1.036 441 V CB -0.524 31.345 31.823 0.077 0.000 0.654 441 V HN 0.361 nan 8.190 nan 0.000 0.451 442 R N -0.282 120.265 120.500 0.078 0.000 2.073 442 R HA -0.140 4.415 4.340 0.358 0.000 0.229 442 R C 2.397 178.685 176.300 -0.020 0.000 1.120 442 R CA 1.499 57.635 56.100 0.060 0.000 0.967 442 R CB -0.268 30.064 30.300 0.054 0.000 0.862 442 R HN 0.602 nan 8.270 nan 0.000 0.436 443 E N 0.042 120.189 120.200 -0.089 0.000 2.085 443 E HA -0.195 4.370 4.350 0.358 0.000 0.194 443 E C 1.085 177.460 176.600 -0.374 0.000 0.994 443 E CA 1.159 57.404 56.400 -0.259 0.000 0.801 443 E CB 0.154 29.626 29.700 -0.381 0.000 0.743 443 E HN 0.461 nan 8.360 nan 0.000 0.453 444 H N -1.437 117.628 119.070 -0.007 0.000 2.529 444 H HA 0.197 4.968 4.556 0.358 0.000 0.277 444 H C 0.845 176.174 175.328 0.003 0.000 1.004 444 H CA 0.666 56.710 56.048 -0.006 0.000 1.167 444 H CB 0.918 30.671 29.762 -0.015 0.000 1.445 444 H HN 0.348 nan 8.280 nan 0.000 0.554 445 G N 1.772 110.610 108.800 0.063 0.000 2.295 445 G HA2 -0.266 3.909 3.960 0.358 0.000 0.287 445 G HA3 -0.266 3.909 3.960 0.358 0.000 0.287 445 G C 0.182 175.107 174.900 0.042 0.000 1.055 445 G CA -0.095 45.038 45.100 0.054 0.000 0.922 445 G HN 0.366 nan 8.290 nan 0.000 0.503 446 L N 0.822 122.052 121.223 0.011 0.000 2.395 446 L HA 0.404 4.959 4.340 0.358 0.000 0.268 446 L C 1.937 178.703 176.870 -0.174 0.000 1.223 446 L CA 0.107 54.918 54.840 -0.049 0.000 1.093 446 L CB 0.149 42.184 42.059 -0.039 0.000 1.349 446 L HN 0.251 nan 8.230 nan 0.000 0.427 447 G N 3.211 111.871 108.800 -0.234 0.000 2.448 447 G HA2 0.055 4.230 3.960 0.358 0.000 0.218 447 G HA3 0.055 4.230 3.960 0.358 0.000 0.218 447 G C 0.506 174.839 174.900 -0.945 0.000 1.135 447 G CA 0.294 45.005 45.100 -0.649 0.000 0.784 447 G HN 0.327 nan 8.290 nan 0.000 0.543 448 L N -0.312 120.590 121.223 -0.535 0.000 2.354 448 L HA 0.685 5.240 4.340 0.358 0.000 0.269 448 L C -0.674 176.064 176.870 -0.220 0.000 1.005 448 L CA -0.592 54.022 54.840 -0.375 0.000 0.819 448 L CB 2.562 44.466 42.059 -0.258 0.000 1.311 448 L HN -0.115 nan 8.230 nan 0.000 0.423 449 L N 2.216 123.323 121.223 -0.193 0.000 2.431 449 L HA 0.599 5.154 4.340 0.358 0.000 0.266 449 L C -0.988 175.765 176.870 -0.195 0.000 0.978 449 L CA -0.838 53.913 54.840 -0.148 0.000 0.822 449 L CB 2.441 44.406 42.059 -0.157 0.000 1.310 449 L HN 0.197 nan 8.230 nan 0.000 0.409 450 V N 1.638 121.448 119.914 -0.173 0.000 2.432 450 V HA 0.652 4.987 4.120 0.358 0.000 0.275 450 V C 0.171 175.992 176.094 -0.456 0.000 1.043 450 V CA 0.011 62.090 62.300 -0.368 0.000 0.925 450 V CB 1.385 32.999 31.823 -0.348 0.000 0.985 450 V HN 0.863 nan 8.190 nan 0.000 0.466 451 T N 3.138 117.303 114.554 -0.648 0.000 2.762 451 T HA 0.483 5.048 4.350 0.358 0.000 0.301 451 T C -2.047 172.571 174.700 -0.137 0.000 1.299 451 T CA -0.470 61.450 62.100 -0.299 0.000 1.005 451 T CB 2.105 70.977 68.868 0.008 0.000 1.377 451 T HN 0.717 nan 8.240 nan 0.000 0.504 452 D N 0.815 121.525 120.400 0.516 0.000 2.738 452 D HA 0.580 5.435 4.640 0.358 0.000 0.237 452 D C -1.718 175.059 176.300 0.796 0.000 1.123 452 D CA -0.259 54.139 54.000 0.663 0.000 0.856 452 D CB 1.487 42.709 40.800 0.704 0.000 1.552 452 D HN 0.418 nan 8.370 nan 0.000 0.480 453 W N 3.052 124.636 121.300 0.473 0.000 3.097 453 W HA 0.626 5.502 4.660 0.361 0.000 0.335 453 W C -1.642 174.664 176.519 -0.355 0.000 1.114 453 W CA -0.757 56.574 57.345 -0.024 0.000 1.231 453 W CB 1.948 31.379 29.460 -0.048 0.000 1.388 453 W HN 0.509 nan 8.180 nan 0.000 0.485 454 G N 2.731 110.436 108.800 -1.825 0.000 2.513 454 G HA2 0.584 4.759 3.960 0.358 0.000 0.317 454 G HA3 0.584 4.759 3.960 0.358 0.000 0.317 454 G C -0.805 172.809 174.900 -2.143 0.000 1.277 454 G CA -0.646 43.106 45.100 -2.246 0.000 0.955 454 G HN 0.727 nan 8.290 nan 0.000 0.484 455 A N 1.696 123.730 122.820 -1.310 0.000 2.483 455 A HA 0.351 4.886 4.320 0.358 0.000 0.238 455 A C 0.850 177.970 177.584 -0.774 0.000 1.070 455 A CA -0.131 51.358 52.037 -0.913 0.000 0.770 455 A CB 0.350 19.109 19.000 -0.402 0.000 1.008 455 A HN 0.589 nan 8.150 nan 0.000 0.497 456 D N 0.004 120.061 120.400 -0.571 0.000 2.355 456 D HA 0.187 5.042 4.640 0.358 0.000 0.218 456 D C -0.232 176.112 176.300 0.073 0.000 1.004 456 D CA 1.242 55.125 54.000 -0.195 0.000 0.880 456 D CB -0.205 40.755 40.800 0.266 0.000 0.911 456 D HN 0.528 nan 8.370 nan 0.000 0.528 457 F N -2.314 117.531 119.950 -0.175 0.000 2.650 457 F HA 0.398 5.140 4.527 0.360 0.000 0.310 457 F C -2.835 172.821 175.800 -0.241 0.000 1.112 457 F CA -2.407 55.505 58.000 -0.147 0.000 0.986 457 F CB 1.137 40.106 39.000 -0.052 0.000 1.285 457 F HN -0.384 nan 8.300 nan 0.000 0.440 458 P HA 0.168 nan 4.420 nan 0.000 0.220 458 P C -0.584 176.587 177.300 -0.214 0.000 1.806 458 P CA 0.244 63.225 63.100 -0.197 0.000 0.976 458 P CB 0.078 31.679 31.700 -0.165 0.000 1.952 459 T N -2.892 111.489 114.554 -0.288 0.000 2.841 459 T HA 0.343 4.908 4.350 0.358 0.000 0.296 459 T C 1.032 175.499 174.700 -0.388 0.000 1.166 459 T CA -0.635 61.282 62.100 -0.305 0.000 1.007 459 T CB 1.666 70.397 68.868 -0.228 0.000 1.253 459 T HN -0.183 nan 8.240 nan 0.000 0.511 460 E N -0.165 119.668 120.200 -0.612 0.000 2.085 460 E HA -0.077 4.488 4.350 0.358 0.000 0.194 460 E C 1.475 177.502 176.600 -0.955 0.000 0.994 460 E CA 1.694 57.490 56.400 -1.007 0.000 0.801 460 E CB -0.485 28.038 29.700 -1.963 0.000 0.743 460 E HN 0.667 nan 8.360 nan 0.000 0.453 461 Y N 0.628 120.487 120.300 -0.734 0.000 2.114 461 Y HA -0.181 4.583 4.550 0.357 0.000 0.284 461 Y C 2.391 178.168 175.900 -0.205 0.000 1.143 461 Y CA 2.006 59.994 58.100 -0.186 0.000 1.135 461 Y CB -0.724 37.864 38.460 0.212 0.000 0.980 461 Y HN 0.078 nan 8.280 nan 0.000 0.499 462 G N -0.725 107.819 108.800 -0.426 0.000 2.442 462 G HA2 -0.343 3.832 3.960 0.358 0.000 0.219 462 G HA3 -0.343 3.832 3.960 0.358 0.000 0.219 462 G C 1.602 176.243 174.900 -0.431 0.000 1.141 462 G CA 1.036 45.489 45.100 -1.079 0.000 0.763 462 G HN 0.519 nan 8.290 nan 0.000 0.554 463 F N -0.036 119.692 119.950 -0.369 0.000 2.118 463 F HA 0.247 4.988 4.527 0.357 0.000 0.293 463 F C 2.194 178.009 175.800 0.025 0.000 1.102 463 F CA 0.984 58.948 58.000 -0.060 0.000 1.247 463 F CB -0.022 38.943 39.000 -0.057 0.000 1.017 463 F HN 0.084 nan 8.300 nan 0.000 0.475 464 L N -0.127 121.090 121.223 -0.010 0.000 2.357 464 L HA 0.352 4.907 4.340 0.358 0.000 0.211 464 L C 2.358 179.102 176.870 -0.209 0.000 1.075 464 L CA 1.398 56.172 54.840 -0.109 0.000 0.830 464 L CB -1.010 41.113 42.059 0.106 0.000 0.996 464 L HN 0.127 nan 8.230 nan 0.000 0.467 465 A N 0.683 123.336 122.820 -0.278 0.000 1.917 465 A HA -0.122 4.413 4.320 0.358 0.000 0.219 465 A C -0.183 177.250 177.584 -0.251 0.000 1.182 465 A CA 2.055 53.912 52.037 -0.301 0.000 0.633 465 A CB -1.964 16.500 19.000 -0.894 0.000 0.819 465 A HN 0.395 nan 8.150 nan 0.000 0.448 466 P HA -0.073 nan 4.420 nan 0.000 0.222 466 P C 1.139 178.223 177.300 -0.359 0.000 1.147 466 P CA 0.732 63.667 63.100 -0.274 0.000 0.790 466 P CB -0.036 31.448 31.700 -0.359 0.000 0.780 467 L N -1.729 119.202 121.223 -0.486 0.000 2.307 467 L HA 0.039 4.594 4.340 0.358 0.000 0.211 467 L C 1.797 178.529 176.870 -0.231 0.000 1.099 467 L CA 0.881 55.465 54.840 -0.427 0.000 0.816 467 L CB -0.210 41.471 42.059 -0.631 0.000 0.952 467 L HN -0.023 nan 8.230 nan 0.000 0.455 468 V N -6.588 113.222 119.914 -0.172 0.000 3.380 468 V HA 0.250 4.585 4.120 0.358 0.000 0.277 468 V C 0.387 176.453 176.094 -0.046 0.000 1.590 468 V CA -0.421 61.820 62.300 -0.098 0.000 1.019 468 V CB 0.467 32.246 31.823 -0.073 0.000 0.828 468 V HN 0.063 nan 8.190 nan 0.000 0.427 469 D N 2.148 122.531 120.400 -0.027 0.000 2.343 469 D HA 0.292 5.147 4.640 0.358 0.000 0.255 469 D C 1.515 177.824 176.300 0.015 0.000 1.187 469 D CA 1.055 55.071 54.000 0.025 0.000 0.875 469 D CB 1.775 42.617 40.800 0.071 0.000 1.136 469 D HN 0.252 nan 8.370 nan 0.000 0.469 470 G N 4.205 113.014 108.800 0.015 0.000 2.450 470 G HA2 -0.277 3.898 3.960 0.358 0.000 0.220 470 G HA3 -0.277 3.898 3.960 0.358 0.000 0.220 470 G C 1.480 176.391 174.900 0.019 0.000 1.130 470 G CA 0.395 45.497 45.100 0.003 0.000 0.760 470 G HN 0.446 nan 8.290 nan 0.000 0.557 471 R N -0.010 120.521 120.500 0.052 0.000 2.280 471 R HA 0.104 4.659 4.340 0.358 0.000 0.207 471 R C 2.007 178.346 176.300 0.066 0.000 1.043 471 R CA 0.561 56.701 56.100 0.067 0.000 1.006 471 R CB 0.053 30.417 30.300 0.107 0.000 0.885 471 R HN 0.262 nan 8.270 nan 0.000 0.467 472 Q N -0.076 119.757 119.800 0.056 0.000 2.280 472 Q HA 0.201 4.756 4.340 0.358 0.000 0.201 472 Q C -0.075 175.930 176.000 0.008 0.000 0.890 472 Q CA 0.041 55.873 55.803 0.048 0.000 0.947 472 Q CB 0.467 29.238 28.738 0.053 0.000 1.081 472 Q HN 0.335 nan 8.270 nan 0.000 0.502 473 I N 2.548 123.110 120.570 -0.014 0.000 2.587 473 I HA -0.048 4.337 4.170 0.358 0.000 0.284 473 I C 0.361 176.445 176.117 -0.055 0.000 1.134 473 I CA 0.299 61.570 61.300 -0.047 0.000 1.410 473 I CB 0.362 38.322 38.000 -0.065 0.000 1.392 473 I HN -0.402 nan 8.210 nan 0.000 0.545 474 K N 7.936 128.289 120.400 -0.078 0.000 2.299 474 K HA 0.272 4.807 4.320 0.358 0.000 0.268 474 K C 0.756 177.251 176.600 -0.174 0.000 1.075 474 K CA -0.491 55.739 56.287 -0.096 0.000 0.936 474 K CB 1.095 33.550 32.500 -0.075 0.000 1.228 474 K HN 0.428 nan 8.250 nan 0.000 0.454 475 R N 1.007 121.413 120.500 -0.157 0.000 2.189 475 R HA 0.008 4.563 4.340 0.358 0.000 0.218 475 R C 0.242 176.355 176.300 -0.312 0.000 1.074 475 R CA 0.634 56.617 56.100 -0.195 0.000 0.991 475 R CB 0.239 30.473 30.300 -0.109 0.000 0.883 475 R HN 0.448 nan 8.270 nan 0.000 0.457 476 N N -0.072 118.464 118.700 -0.274 0.000 2.214 476 N HA 0.149 5.104 4.740 0.358 0.000 0.214 476 N C 0.314 175.623 175.510 -0.335 0.000 1.132 476 N CA 0.618 53.508 53.050 -0.265 0.000 0.856 476 N CB 1.464 39.917 38.487 -0.057 0.000 1.020 476 N HN 0.224 nan 8.380 nan 0.000 0.509 477 G N -0.992 107.528 108.800 -0.467 0.000 2.440 477 G HA2 0.294 4.469 3.960 0.358 0.000 0.684 477 G HA3 0.294 4.469 3.960 0.358 0.000 0.684 477 G C 0.269 175.091 174.900 -0.130 0.000 1.309 477 G CA -0.081 44.868 45.100 -0.251 0.000 0.931 477 G HN 0.457 nan 8.290 nan 0.000 0.612 478 G N -0.933 107.811 108.800 -0.094 0.000 2.198 478 G HA2 -0.113 4.062 3.960 0.358 0.000 0.260 478 G HA3 -0.113 4.062 3.960 0.358 0.000 0.260 478 G C 0.312 175.149 174.900 -0.105 0.000 1.025 478 G CA 1.203 46.273 45.100 -0.051 0.000 0.769 478 G HN 2.025 nan 8.290 nan 0.000 0.507 479 N N -0.757 117.809 118.700 -0.222 0.000 2.497 479 N HA 0.424 5.379 4.740 0.358 0.000 0.271 479 N C 0.695 175.993 175.510 -0.354 0.000 1.142 479 N CA -0.358 52.573 53.050 -0.199 0.000 0.965 479 N CB 0.308 38.675 38.487 -0.200 0.000 1.077 479 N HN 0.276 nan 8.380 nan 0.000 0.462 480 W N 0.908 122.134 121.300 -0.123 0.000 2.975 480 W HA 0.294 5.171 4.660 0.361 0.000 0.316 480 W C 0.508 176.883 176.519 -0.239 0.000 1.131 480 W CA -0.512 56.709 57.345 -0.206 0.000 1.624 480 W CB 0.314 29.519 29.460 -0.425 0.000 1.038 480 W HN 0.473 nan 8.180 nan 0.000 0.571 481 N N 2.194 120.884 118.700 -0.018 0.000 2.807 481 N HA 0.095 5.050 4.740 0.358 0.000 0.259 481 N C 0.762 176.251 175.510 -0.035 0.000 1.149 481 N CA 0.338 53.358 53.050 -0.050 0.000 1.042 481 N CB 0.073 38.524 38.487 -0.059 0.000 1.367 481 N HN 0.151 nan 8.380 nan 0.000 0.516 482 L N 2.408 123.626 121.223 -0.007 0.000 2.072 482 L HA 0.034 4.589 4.340 0.358 0.000 0.205 482 L C -0.653 176.252 176.870 0.058 0.000 1.079 482 L CA 0.938 55.773 54.840 -0.008 0.000 0.752 482 L CB -1.118 40.929 42.059 -0.020 0.000 0.906 482 L HN 0.319 nan 8.230 nan 0.000 0.436 483 P HA -0.111 nan 4.420 nan 0.000 0.234 483 P C -0.195 177.188 177.300 0.137 0.000 1.167 483 P CA 0.520 63.660 63.100 0.067 0.000 0.763 483 P CB 0.024 31.720 31.700 -0.008 0.000 0.835 484 E N -2.163 118.069 120.200 0.054 0.000 2.389 484 E HA -0.218 4.347 4.350 0.358 0.000 0.243 484 E C -0.216 176.365 176.600 -0.032 0.000 1.154 484 E CA -0.192 56.195 56.400 -0.020 0.000 0.723 484 E CB -1.866 27.770 29.700 -0.106 0.000 1.261 484 E HN 0.198 nan 8.360 nan 0.000 0.390 485 L N 1.273 122.463 121.223 -0.055 0.000 2.455 485 L HA 0.162 4.717 4.340 0.358 0.000 0.272 485 L C 0.248 177.064 176.870 -0.090 0.000 1.174 485 L CA 0.938 55.710 54.840 -0.113 0.000 0.869 485 L CB 0.793 42.756 42.059 -0.159 0.000 1.130 485 L HN 0.108 nan 8.230 nan 0.000 0.474 486 D N 2.662 123.005 120.400 -0.094 0.000 2.849 486 D HA 0.115 4.970 4.640 0.358 0.000 0.314 486 D C -1.130 175.145 176.300 -0.041 0.000 1.210 486 D CA -0.383 53.587 54.000 -0.050 0.000 0.756 486 D CB 0.077 40.858 40.800 -0.031 0.000 1.222 486 D HN 0.513 nan 8.370 nan 0.000 0.521 487 D N 1.486 121.854 120.400 -0.053 0.000 2.339 487 D HA 0.159 5.014 4.640 0.358 0.000 0.241 487 D C -1.418 174.901 176.300 0.031 0.000 1.183 487 D CA -2.078 51.923 54.000 0.001 0.000 0.859 487 D CB 1.934 42.757 40.800 0.039 0.000 1.067 487 D HN 0.095 nan 8.370 nan 0.000 0.484 488 P HA -0.141 nan 4.420 nan 0.000 0.221 488 P C 0.803 178.125 177.300 0.038 0.000 1.145 488 P CA 0.914 64.035 63.100 0.035 0.000 0.795 488 P CB 0.533 32.253 31.700 0.033 0.000 0.775 489 E N -0.210 120.018 120.200 0.047 0.000 2.072 489 E HA -0.058 4.507 4.350 0.358 0.000 0.190 489 E C 2.230 178.848 176.600 0.030 0.000 0.982 489 E CA 0.753 57.176 56.400 0.038 0.000 0.803 489 E CB -0.968 28.760 29.700 0.046 0.000 0.755 489 E HN 0.129 nan 8.360 nan 0.000 0.453 490 V N 2.955 122.899 119.914 0.050 0.000 2.255 490 V HA -0.271 4.064 4.120 0.358 0.000 0.247 490 V C 1.981 178.085 176.094 0.016 0.000 1.051 490 V CA 1.913 64.235 62.300 0.038 0.000 1.018 490 V CB -0.643 31.216 31.823 0.059 0.000 0.641 490 V HN 0.198 nan 8.190 nan 0.000 0.445 491 N N 0.742 119.462 118.700 0.032 0.000 2.104 491 N HA -0.144 4.811 4.740 0.358 0.000 0.190 491 N C 1.856 177.387 175.510 0.035 0.000 1.024 491 N CA 1.774 54.852 53.050 0.047 0.000 0.853 491 N CB -0.640 37.880 38.487 0.055 0.000 1.008 491 N HN 0.508 nan 8.380 nan 0.000 0.424 492 A N 1.164 123.997 122.820 0.022 0.000 1.930 492 A HA -0.019 4.516 4.320 0.358 0.000 0.217 492 A C 2.411 179.976 177.584 -0.031 0.000 1.175 492 A CA 0.811 52.857 52.037 0.015 0.000 0.627 492 A CB -0.700 18.313 19.000 0.021 0.000 0.815 492 A HN 0.198 nan 8.150 nan 0.000 0.443 493 L N -0.491 120.690 121.223 -0.070 0.000 2.017 493 L HA -0.190 4.365 4.340 0.358 0.000 0.208 493 L C 2.500 179.194 176.870 -0.293 0.000 1.073 493 L CA 1.310 56.053 54.840 -0.161 0.000 0.745 493 L CB -0.498 41.468 42.059 -0.155 0.000 0.894 493 L HN 0.391 nan 8.230 nan 0.000 0.432 494 I N -0.156 120.257 120.570 -0.262 0.000 2.163 494 I HA -0.341 4.043 4.170 0.358 0.000 0.243 494 I C 2.127 178.180 176.117 -0.106 0.000 1.085 494 I CA 1.363 62.494 61.300 -0.282 0.000 1.347 494 I CB -0.500 37.510 38.000 0.016 0.000 1.044 494 I HN 0.302 nan 8.210 nan 0.000 0.408 495 D N 0.518 120.911 120.400 -0.013 0.000 2.123 495 D HA -0.246 4.609 4.640 0.358 0.000 0.196 495 D C 2.017 178.265 176.300 -0.088 0.000 0.992 495 D CA 1.305 55.329 54.000 0.040 0.000 0.833 495 D CB -0.277 40.580 40.800 0.096 0.000 0.954 495 D HN 0.437 nan 8.370 nan 0.000 0.455 496 E N 0.019 120.099 120.200 -0.200 0.000 2.110 496 E HA -0.173 4.392 4.350 0.358 0.000 0.193 496 E C 1.930 178.163 176.600 -0.610 0.000 0.988 496 E CA 1.757 57.868 56.400 -0.481 0.000 0.804 496 E CB 0.049 29.607 29.700 -0.237 0.000 0.745 496 E HN 0.367 nan 8.360 nan 0.000 0.458 497 T N -0.629 113.681 114.554 -0.406 0.000 2.759 497 T HA -0.149 4.416 4.350 0.358 0.000 0.269 497 T C 1.965 176.572 174.700 -0.155 0.000 1.042 497 T CA 1.122 63.039 62.100 -0.305 0.000 1.140 497 T CB -0.402 68.189 68.868 -0.462 0.000 0.864 497 T HN 0.171 nan 8.240 nan 0.000 0.455 498 L N 1.257 122.399 121.223 -0.136 0.000 2.291 498 L HA 0.017 4.572 4.340 0.358 0.000 0.214 498 L C 2.670 179.566 176.870 0.043 0.000 1.120 498 L CA 1.444 56.257 54.840 -0.046 0.000 0.799 498 L CB -0.600 41.464 42.059 0.008 0.000 0.925 498 L HN 0.664 nan 8.230 nan 0.000 0.446 499 H N -3.025 116.075 119.070 0.050 0.000 2.594 499 H HA 0.201 4.971 4.556 0.358 0.000 0.279 499 H C -0.126 175.225 175.328 0.039 0.000 1.042 499 H CA -0.335 55.746 56.048 0.056 0.000 1.177 499 H CB -0.073 29.718 29.762 0.048 0.000 1.524 499 H HN -0.014 nan 8.280 nan 0.000 0.537 500 T N 2.324 116.846 114.554 -0.054 0.000 2.728 500 T HA 0.072 4.637 4.350 0.358 0.000 0.296 500 T C 1.485 176.215 174.700 0.050 0.000 0.940 500 T CA 0.238 62.339 62.100 0.002 0.000 1.013 500 T CB 1.663 70.483 68.868 -0.081 0.000 0.912 500 T HN 0.504 nan 8.240 nan 0.000 0.484 501 T N -0.312 114.278 114.554 0.061 0.000 2.937 501 T HA -0.027 4.538 4.350 0.358 0.000 0.260 501 T C 0.790 175.518 174.700 0.047 0.000 1.051 501 T CA 0.139 62.269 62.100 0.051 0.000 1.141 501 T CB -0.053 68.830 68.868 0.025 0.000 0.879 501 T HN 0.492 nan 8.240 nan 0.000 0.459 502 D N 3.334 123.758 120.400 0.039 0.000 2.382 502 D HA 0.136 4.991 4.640 0.358 0.000 0.259 502 D C -1.655 174.672 176.300 0.046 0.000 1.224 502 D CA -2.027 51.995 54.000 0.036 0.000 0.894 502 D CB 1.661 42.478 40.800 0.028 0.000 1.127 502 D HN 0.078 nan 8.370 nan 0.000 0.487 503 P HA -0.094 nan 4.420 nan 0.000 0.218 503 P C 0.906 178.240 177.300 0.057 0.000 1.148 503 P CA 1.176 64.313 63.100 0.063 0.000 0.822 503 P CB 0.223 31.957 31.700 0.057 0.000 0.784 504 A N -0.033 122.812 122.820 0.042 0.000 1.929 504 A HA 0.015 4.550 4.320 0.358 0.000 0.216 504 A C 2.314 179.922 177.584 0.040 0.000 1.176 504 A CA 1.724 53.783 52.037 0.038 0.000 0.628 504 A CB -1.487 17.530 19.000 0.028 0.000 0.816 504 A HN 0.183 nan 8.150 nan 0.000 0.444 505 A N -0.288 122.552 122.820 0.033 0.000 1.933 505 A HA -0.142 4.393 4.320 0.358 0.000 0.218 505 A C 2.210 179.808 177.584 0.022 0.000 1.175 505 A CA 1.702 53.752 52.037 0.022 0.000 0.628 505 A CB -0.450 18.559 19.000 0.015 0.000 0.814 505 A HN 0.509 nan 8.150 nan 0.000 0.444 506 R N -0.500 120.027 120.500 0.046 0.000 2.083 506 R HA -0.120 4.435 4.340 0.358 0.000 0.237 506 R C 2.388 178.797 176.300 0.181 0.000 1.137 506 R CA 1.489 57.642 56.100 0.088 0.000 0.951 506 R CB -0.420 29.971 30.300 0.152 0.000 0.851 506 R HN 0.483 nan 8.270 nan 0.000 0.434 507 A N 0.802 123.712 122.820 0.150 0.000 1.908 507 A HA -0.182 4.353 4.320 0.358 0.000 0.218 507 A C 1.902 179.572 177.584 0.144 0.000 1.181 507 A CA 1.586 53.709 52.037 0.144 0.000 0.627 507 A CB -0.428 18.607 19.000 0.059 0.000 0.818 507 A HN 0.272 nan 8.150 nan 0.000 0.445 508 E N 0.072 120.323 120.200 0.086 0.000 2.077 508 E HA -0.143 4.422 4.350 0.358 0.000 0.193 508 E C 2.045 178.680 176.600 0.058 0.000 0.989 508 E CA 0.972 57.411 56.400 0.065 0.000 0.800 508 E CB -0.522 29.200 29.700 0.036 0.000 0.746 508 E HN 0.683 nan 8.360 nan 0.000 0.452 509 L N -1.130 120.098 121.223 0.008 0.000 2.046 509 L HA -0.156 4.399 4.340 0.358 0.000 0.208 509 L C 2.428 179.261 176.870 -0.062 0.000 1.077 509 L CA 1.290 56.077 54.840 -0.090 0.000 0.747 509 L CB -0.457 41.465 42.059 -0.227 0.000 0.896 509 L HN 0.203 nan 8.230 nan 0.000 0.432 510 W N 0.084 121.430 121.300 0.076 0.000 2.402 510 W HA -0.107 4.769 4.660 0.359 0.000 0.286 510 W C 2.772 179.448 176.519 0.262 0.000 1.221 510 W CA 0.438 57.885 57.345 0.169 0.000 1.257 510 W CB -0.075 29.437 29.460 0.087 0.000 1.120 510 W HN -0.014 nan 8.180 nan 0.000 0.551 511 R N 0.015 120.746 120.500 0.384 0.000 2.096 511 R HA -0.149 4.406 4.340 0.358 0.000 0.235 511 R C 2.331 178.741 176.300 0.183 0.000 1.127 511 R CA 1.491 57.760 56.100 0.283 0.000 0.968 511 R CB -0.871 29.526 30.300 0.162 0.000 0.861 511 R HN 0.163 nan 8.270 nan 0.000 0.440 512 A N 0.709 123.603 122.820 0.123 0.000 1.898 512 A HA -0.104 4.431 4.320 0.358 0.000 0.216 512 A C 2.369 179.994 177.584 0.069 0.000 1.181 512 A CA 1.297 53.371 52.037 0.062 0.000 0.620 512 A CB -0.506 18.506 19.000 0.019 0.000 0.819 512 A HN 0.105 nan 8.150 nan 0.000 0.442 513 V N 0.088 120.063 119.914 0.103 0.000 2.255 513 V HA -0.307 4.028 4.120 0.358 0.000 0.247 513 V C 2.548 178.716 176.094 0.124 0.000 1.051 513 V CA 2.425 64.796 62.300 0.119 0.000 1.018 513 V CB -0.784 31.150 31.823 0.184 0.000 0.641 513 V HN 0.769 nan 8.190 nan 0.000 0.445 514 E N 0.228 120.517 120.200 0.149 0.000 2.058 514 E HA -0.297 4.268 4.350 0.358 0.000 0.194 514 E C 2.464 179.050 176.600 -0.024 0.000 0.997 514 E CA 1.691 58.075 56.400 -0.026 0.000 0.801 514 E CB -0.148 29.469 29.700 -0.139 0.000 0.746 514 E HN 0.483 nan 8.360 nan 0.000 0.450 515 R N 0.290 120.795 120.500 0.009 0.000 2.083 515 R HA -0.203 4.352 4.340 0.358 0.000 0.237 515 R C 2.439 178.726 176.300 -0.021 0.000 1.137 515 R CA 1.843 57.932 56.100 -0.020 0.000 0.951 515 R CB -0.145 30.148 30.300 -0.011 0.000 0.851 515 R HN -0.035 nan 8.270 nan 0.000 0.434 516 R N -0.090 120.413 120.500 0.006 0.000 2.096 516 R HA -0.071 4.484 4.340 0.358 0.000 0.235 516 R C 2.092 178.435 176.300 0.071 0.000 1.127 516 R CA 1.464 57.567 56.100 0.005 0.000 0.968 516 R CB -0.438 29.889 30.300 0.044 0.000 0.861 516 R HN 0.143 nan 8.270 nan 0.000 0.440 517 V N 0.117 120.087 119.914 0.093 0.000 2.427 517 V HA -0.241 4.094 4.120 0.358 0.000 0.248 517 V C 2.140 178.290 176.094 0.094 0.000 1.051 517 V CA 1.494 63.866 62.300 0.119 0.000 1.048 517 V CB -0.367 31.466 31.823 0.018 0.000 0.666 517 V HN 0.292 nan 8.190 nan 0.000 0.456 518 M N -0.643 118.976 119.600 0.032 0.000 2.254 518 M HA -0.087 4.608 4.480 0.358 0.000 0.265 518 M C 2.118 178.486 176.300 0.113 0.000 1.066 518 M CA 1.287 56.618 55.300 0.052 0.000 1.123 518 M CB -1.164 31.412 32.600 -0.041 0.000 1.388 518 M HN 0.437 nan 8.290 nan 0.000 0.425 519 E N -0.612 119.597 120.200 0.014 0.000 2.097 519 E HA -0.228 4.337 4.350 0.358 0.000 0.196 519 E C 1.935 178.532 176.600 -0.006 0.000 1.000 519 E CA 1.078 57.470 56.400 -0.013 0.000 0.804 519 E CB -0.235 29.381 29.700 -0.139 0.000 0.740 519 E HN 0.561 nan 8.360 nan 0.000 0.454 520 H N -0.319 118.778 119.070 0.045 0.000 2.457 520 H HA 0.024 4.795 4.556 0.358 0.000 0.294 520 H C 1.345 176.677 175.328 0.006 0.000 1.064 520 H CA 1.183 57.240 56.048 0.015 0.000 1.330 520 H CB 0.100 29.864 29.762 0.003 0.000 1.395 520 H HN 0.227 nan 8.280 nan 0.000 0.541 521 A N 0.026 122.939 122.820 0.156 0.000 2.847 521 A HA -0.231 4.304 4.320 0.358 0.000 0.263 521 A C 2.055 179.651 177.584 0.020 0.000 1.391 521 A CA 0.943 53.012 52.037 0.052 0.000 0.866 521 A CB -2.422 16.467 19.000 -0.184 0.000 1.057 521 A HN 0.385 nan 8.150 nan 0.000 0.673 522 V N -3.165 116.781 119.914 0.053 0.000 3.129 522 V HA 0.412 4.747 4.120 0.358 0.000 0.259 522 V C 0.833 176.934 176.094 0.013 0.000 1.116 522 V CA 1.412 63.722 62.300 0.017 0.000 1.127 522 V CB -0.419 31.402 31.823 -0.003 0.000 0.742 522 V HN 0.601 nan 8.190 nan 0.000 0.474 523 L N 1.539 122.770 121.223 0.014 0.000 2.356 523 L HA 0.579 5.134 4.340 0.358 0.000 0.277 523 L C -0.936 175.956 176.870 0.036 0.000 0.996 523 L CA -0.785 54.070 54.840 0.025 0.000 0.822 523 L CB 2.179 44.169 42.059 -0.116 0.000 1.256 523 L HN 0.125 nan 8.230 nan 0.000 0.413 524 L N 6.592 127.860 121.223 0.075 0.000 2.283 524 L HA 0.574 5.129 4.340 0.358 0.000 0.281 524 L C -2.433 174.482 176.870 0.074 0.000 1.033 524 L CA -1.923 52.948 54.840 0.052 0.000 0.848 524 L CB 0.660 42.732 42.059 0.021 0.000 1.226 524 L HN 0.213 nan 8.230 nan 0.000 0.429 525 P HA 0.204 nan 4.420 nan 0.000 0.275 525 P C 0.090 177.402 177.300 0.019 0.000 1.227 525 P CA -0.094 63.029 63.100 0.039 0.000 0.781 525 P CB 1.393 33.081 31.700 -0.022 0.000 0.906 526 L N 2.351 123.586 121.223 0.020 0.000 2.590 526 L HA 0.285 4.840 4.340 0.358 0.000 0.181 526 L C 0.878 177.774 176.870 0.043 0.000 1.134 526 L CA 0.340 55.193 54.840 0.023 0.000 0.850 526 L CB -0.135 41.920 42.059 -0.006 0.000 1.172 526 L HN 0.212 nan 8.230 nan 0.000 0.498 527 V N -4.146 115.815 119.914 0.078 0.000 3.147 527 V HA 0.496 4.831 4.120 0.358 0.000 0.306 527 V C -1.081 175.028 176.094 0.025 0.000 1.209 527 V CA -0.917 61.419 62.300 0.059 0.000 1.023 527 V CB 1.918 33.823 31.823 0.137 0.000 1.059 527 V HN 0.103 nan 8.190 nan 0.000 0.435 528 H N 1.504 120.680 119.070 0.177 0.000 2.620 528 H HA 0.422 5.193 4.556 0.359 0.000 0.313 528 H C -0.524 174.895 175.328 0.151 0.000 1.075 528 H CA 0.057 56.211 56.048 0.178 0.000 1.397 528 H CB 1.600 31.433 29.762 0.119 0.000 1.446 528 H HN 1.010 nan 8.280 nan 0.000 0.493 529 D N 2.463 123.039 120.400 0.294 0.000 2.443 529 D HA 0.063 4.918 4.640 0.358 0.000 0.239 529 D C -0.353 176.014 176.300 0.111 0.000 1.136 529 D CA 0.383 54.487 54.000 0.173 0.000 0.879 529 D CB 0.681 41.583 40.800 0.170 0.000 1.195 529 D HN 0.393 nan 8.370 nan 0.000 0.443 530 K N 1.511 121.938 120.400 0.045 0.000 2.400 530 K HA 0.646 5.181 4.320 0.358 0.000 0.246 530 K C -0.754 175.798 176.600 -0.081 0.000 0.995 530 K CA -0.965 55.317 56.287 -0.007 0.000 0.840 530 K CB 2.276 34.788 32.500 0.018 0.000 1.293 530 K HN 0.371 nan 8.250 nan 0.000 0.445 531 T N 0.548 114.998 114.554 -0.174 0.000 2.864 531 T HA 0.525 5.090 4.350 0.358 0.000 0.299 531 T C -1.787 172.695 174.700 -0.363 0.000 1.166 531 T CA -0.703 61.228 62.100 -0.281 0.000 1.007 531 T CB 0.831 69.462 68.868 -0.395 0.000 1.219 531 T HN 0.335 nan 8.240 nan 0.000 0.506 532 L N 4.377 125.409 121.223 -0.319 0.000 2.294 532 L HA 0.496 5.051 4.340 0.358 0.000 0.283 532 L C -0.342 176.376 176.870 -0.253 0.000 1.015 532 L CA -0.921 53.769 54.840 -0.250 0.000 0.831 532 L CB 0.881 42.912 42.059 -0.047 0.000 1.217 532 L HN 0.613 nan 8.230 nan 0.000 0.420 533 H N 2.966 121.941 119.070 -0.160 0.000 2.467 533 H HA 0.306 5.078 4.556 0.361 0.000 0.331 533 H C -0.968 174.393 175.328 0.055 0.000 1.120 533 H CA -0.461 55.488 56.048 -0.165 0.000 1.270 533 H CB 2.085 31.501 29.762 -0.577 0.000 1.466 533 H HN 0.342 nan 8.280 nan 0.000 0.504 534 F N 3.313 123.347 119.950 0.139 0.000 2.443 534 F HA 0.380 5.122 4.527 0.358 0.000 0.335 534 F C -0.046 175.847 175.800 0.156 0.000 1.104 534 F CA -0.882 57.194 58.000 0.126 0.000 1.013 534 F CB 0.837 39.875 39.000 0.063 0.000 1.136 534 F HN 0.498 nan 8.300 nan 0.000 0.470 535 R N 4.249 124.486 120.500 -0.438 0.000 2.476 535 R HA 0.459 5.014 4.340 0.358 0.000 0.305 535 R C -1.229 174.671 176.300 -0.668 0.000 0.965 535 R CA -0.967 54.901 56.100 -0.387 0.000 0.867 535 R CB 0.854 30.919 30.300 -0.392 0.000 1.176 535 R HN 0.456 nan 8.270 nan 0.000 0.447 536 N N 4.360 122.698 118.700 -0.603 0.000 2.492 536 N HA 0.047 5.002 4.740 0.358 0.000 0.260 536 N C -1.564 173.348 175.510 -0.997 0.000 1.215 536 N CA -1.420 51.038 53.050 -0.987 0.000 0.923 536 N CB 1.138 38.767 38.487 -1.431 0.000 1.092 536 N HN 0.536 nan 8.380 nan 0.000 0.448 537 P HA -0.054 nan 4.420 nan 0.000 0.233 537 P C 0.725 177.938 177.300 -0.145 0.000 1.167 537 P CA 0.946 63.869 63.100 -0.294 0.000 0.770 537 P CB -0.066 31.625 31.700 -0.015 0.000 0.837 538 W N -0.385 120.893 121.300 -0.036 0.000 3.139 538 W HA 0.324 5.198 4.660 0.356 0.000 0.260 538 W C -0.053 176.446 176.519 -0.034 0.000 1.312 538 W CA -0.366 56.963 57.345 -0.026 0.000 1.606 538 W CB -1.217 28.231 29.460 -0.021 0.000 1.118 538 W HN -0.395 nan 8.180 nan 0.000 0.675 539 V N 3.430 123.201 119.914 -0.239 0.000 2.530 539 V HA 0.268 4.603 4.120 0.358 0.000 0.282 539 V C 0.930 176.962 176.094 -0.103 0.000 1.048 539 V CA -0.173 62.041 62.300 -0.143 0.000 0.997 539 V CB 0.438 32.098 31.823 -0.272 0.000 0.987 539 V HN 0.220 nan 8.190 nan 0.000 0.477 540 T N 1.437 115.968 114.554 -0.039 0.000 2.934 540 T HA 0.387 4.952 4.350 0.358 0.000 0.283 540 T C 0.348 175.028 174.700 -0.034 0.000 1.005 540 T CA -0.641 61.444 62.100 -0.024 0.000 1.041 540 T CB 0.881 69.759 68.868 0.016 0.000 1.042 540 T HN 0.678 nan 8.240 nan 0.000 0.505 541 N N -0.600 118.094 118.700 -0.011 0.000 2.740 541 N HA -0.123 4.832 4.740 0.358 0.000 0.248 541 N C -0.622 174.913 175.510 0.041 0.000 1.062 541 N CA 0.410 53.483 53.050 0.038 0.000 0.704 541 N CB -1.847 36.684 38.487 0.073 0.000 0.968 541 N HN 0.621 nan 8.380 nan 0.000 0.547 542 V N 1.528 121.395 119.914 -0.077 0.000 2.432 542 V HA 0.482 4.817 4.120 0.358 0.000 0.271 542 V C 0.188 176.240 176.094 -0.070 0.000 1.046 542 V CA -0.280 61.864 62.300 -0.261 0.000 0.945 542 V CB 0.241 31.746 31.823 -0.530 0.000 0.992 542 V HN 0.323 nan 8.190 nan 0.000 0.471 543 Y N 2.301 122.514 120.300 -0.145 0.000 2.552 543 Y HA 0.745 5.505 4.550 0.351 0.000 0.337 543 Y C -0.946 175.079 175.900 0.208 0.000 1.094 543 Y CA -1.528 56.584 58.100 0.020 0.000 1.028 543 Y CB 1.285 39.744 38.460 -0.003 0.000 1.321 543 Y HN 0.197 nan 8.280 nan 0.000 0.456 544 V N 4.415 124.482 119.914 0.255 0.000 2.470 544 V HA 0.048 4.383 4.120 0.358 0.000 0.276 544 V C 0.281 176.467 176.094 0.154 0.000 1.040 544 V CA -0.123 62.271 62.300 0.157 0.000 1.008 544 V CB -0.085 31.824 31.823 0.143 0.000 0.990 544 V HN 0.828 nan 8.190 nan 0.000 0.477 545 H N 9.358 128.431 119.070 0.005 0.000 2.878 545 H HA 0.170 4.941 4.556 0.359 0.000 0.290 545 H C -1.526 173.933 175.328 0.218 0.000 1.065 545 H CA -1.895 54.268 56.048 0.190 0.000 1.477 545 H CB 1.926 31.798 29.762 0.183 0.000 1.484 545 H HN 0.413 nan 8.280 nan 0.000 0.504 546 P HA -0.089 nan 4.420 nan 0.000 0.225 546 P C 0.899 178.275 177.300 0.126 0.000 1.148 546 P CA 0.938 64.102 63.100 0.106 0.000 0.779 546 P CB 0.184 31.894 31.700 0.017 0.000 0.780 547 A N -2.041 120.975 122.820 0.326 0.000 2.167 547 A HA 0.091 4.626 4.320 0.358 0.000 0.214 547 A C 1.426 178.720 177.584 -0.482 0.000 1.151 547 A CA 0.705 52.627 52.037 -0.192 0.000 0.735 547 A CB -0.965 17.649 19.000 -0.643 0.000 0.802 547 A HN 0.132 nan 8.150 nan 0.000 0.467 548 F N -2.428 117.534 119.950 0.019 0.000 2.784 548 F HA 0.352 5.091 4.527 0.354 0.000 0.316 548 F C 1.827 177.644 175.800 0.029 0.000 1.026 548 F CA 0.392 58.383 58.000 -0.015 0.000 1.188 548 F CB 0.227 39.215 39.000 -0.020 0.000 0.999 548 F HN 0.274 nan 8.300 nan 0.000 0.605 549 G N 1.733 110.665 108.800 0.220 0.000 2.168 549 G HA2 -0.290 3.885 3.960 0.358 0.000 0.263 549 G HA3 -0.290 3.885 3.960 0.358 0.000 0.263 549 G C -0.025 174.985 174.900 0.182 0.000 0.977 549 G CA 0.529 45.727 45.100 0.164 0.000 0.659 549 G HN 0.282 nan 8.290 nan 0.000 0.533 550 L N -1.082 120.209 121.223 0.114 0.000 2.333 550 L HA 0.534 5.089 4.340 0.358 0.000 0.263 550 L C 0.583 177.337 176.870 -0.193 0.000 1.014 550 L CA -1.652 53.095 54.840 -0.156 0.000 0.820 550 L CB 1.369 43.383 42.059 -0.076 0.000 1.352 550 L HN 0.118 nan 8.230 nan 0.000 0.421 551 Y N -0.001 120.071 120.300 -0.381 0.000 2.702 551 Y HA -0.108 4.656 4.550 0.356 0.000 0.336 551 Y C 0.568 176.232 175.900 -0.393 0.000 1.235 551 Y CA -0.301 57.571 58.100 -0.380 0.000 1.492 551 Y CB 0.480 38.726 38.460 -0.356 0.000 1.308 551 Y HN 0.475 nan 8.280 nan 0.000 0.589 552 D N 3.828 123.995 120.400 -0.387 0.000 2.435 552 D HA 0.057 4.912 4.640 0.358 0.000 0.230 552 D C 0.937 177.102 176.300 -0.225 0.000 1.215 552 D CA 0.047 53.828 54.000 -0.365 0.000 0.947 552 D CB 0.136 40.685 40.800 -0.419 0.000 1.048 552 D HN 0.340 nan 8.370 nan 0.000 0.512 553 I N 2.975 123.441 120.570 -0.173 0.000 2.145 553 I HA -0.347 4.038 4.170 0.358 0.000 0.244 553 I C 2.289 178.342 176.117 -0.107 0.000 1.075 553 I CA 1.417 62.644 61.300 -0.122 0.000 1.332 553 I CB -1.270 36.670 38.000 -0.099 0.000 1.033 553 I HN 0.543 nan 8.210 nan 0.000 0.410 554 Q N 1.815 121.556 119.800 -0.097 0.000 2.234 554 Q HA -0.116 4.439 4.340 0.358 0.000 0.206 554 Q C 1.961 177.965 176.000 0.006 0.000 0.980 554 Q CA 2.184 57.953 55.803 -0.058 0.000 0.869 554 Q CB -0.888 27.831 28.738 -0.031 0.000 0.912 554 Q HN 0.441 nan 8.270 nan 0.000 0.436 555 A N 0.106 122.951 122.820 0.041 0.000 2.119 555 A HA 0.210 4.745 4.320 0.358 0.000 0.216 555 A C 0.837 178.461 177.584 0.066 0.000 1.152 555 A CA 0.127 52.234 52.037 0.116 0.000 0.708 555 A CB -0.305 18.865 19.000 0.283 0.000 0.805 555 A HN 0.433 nan 8.150 nan 0.000 0.460 556 M N -0.217 119.384 119.600 0.002 0.000 2.242 556 M HA 0.425 5.120 4.480 0.358 0.000 0.344 556 M C 0.760 177.062 176.300 0.002 0.000 1.140 556 M CA 0.322 55.608 55.300 -0.023 0.000 1.160 556 M CB 1.025 33.580 32.600 -0.076 0.000 1.491 556 M HN 0.272 nan 8.290 nan 0.000 0.459 557 G N 1.897 110.704 108.800 0.013 0.000 3.222 557 G HA2 0.763 4.938 3.960 0.358 0.000 0.263 557 G HA3 0.763 4.938 3.960 0.358 0.000 0.263 557 G C -1.690 173.240 174.900 0.049 0.000 1.312 557 G CA -0.642 44.480 45.100 0.036 0.000 0.934 557 G HN 0.445 nan 8.290 nan 0.000 0.577 558 L N 0.501 121.768 121.223 0.072 0.000 2.386 558 L HA 0.697 5.252 4.340 0.358 0.000 0.271 558 L C 0.686 177.615 176.870 0.100 0.000 0.993 558 L CA -1.019 53.889 54.840 0.114 0.000 0.819 558 L CB 1.034 43.158 42.059 0.108 0.000 1.294 558 L HN 0.754 nan 8.230 nan 0.000 0.414 559 A N 2.456 125.356 122.820 0.133 0.000 2.407 559 A HA 0.335 4.870 4.320 0.358 0.000 0.248 559 A C 0.453 178.077 177.584 0.067 0.000 1.082 559 A CA -0.157 51.939 52.037 0.099 0.000 0.785 559 A CB 0.306 19.381 19.000 0.125 0.000 1.020 559 A HN 0.813 nan 8.150 nan 0.000 0.489 560 E N 0.000 120.227 120.200 0.044 0.000 2.725 560 E HA 0.000 4.565 4.350 0.358 0.000 0.291 560 E CA 0.000 56.414 56.400 0.023 0.000 0.976 560 E CB 0.000 29.712 29.700 0.020 0.000 0.812 560 E HN 0.000 nan 8.360 nan 0.000 0.440