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 1wdt_1_A DATA FIRST_RESID 6 DATA SEQUENCE GAMIRTVALV GHAGSGKTTL TEALLYKTGA KERRGRVEEG TTTTDYTPEA DATA SEQUENCE KLHRTTVRTG VAPLLFRGHR VFLLDAPGYG DFVGEIRGAL EAADAALVAV DATA SEQUENCE SAEAGVQVGT ERAWTVAERL GLPRMVVVTK LDKGGDYYAL LEDLRSTLGP DATA SEQUENCE ILPIDLPLYE GGKWVGLIDV FHGKAYRYEN GEEREAEVPP EERERVQRFR DATA SEQUENCE QEVLEAIVET DEGLLEKYLE GEEVTGEALE KAFHEAVRRG LLYPVALASG DATA SEQUENCE EREIGVLPLL ELILEALPSP TERFGDGPPL AKVFKVQVDP FMGQVAYLRL DATA SEQUENCE YRGRLKPGDS LQSEAGQVRL PHLYVPMGKD LLEVEEAEAG FVLGVPKAEG DATA SEQUENCE LHRGMVLWQG EKPESEEVPF ARLPDPNVPV ALHPKGRTDE ARLGEALRKL DATA SEQUENCE LEEDPSLKLE RQEETGELLL WGHGELHLAT AKERLQDYGV EVEFSVPKVP DATA SEQUENCE YRETIKKVAE GQGKYKKQTG GHGQYGDVWL RLEPASEYGF EWRITGGVIP DATA SEQUENCE SKYQEAIEEG IKEAAKKGVL AGFPVMGFKA IVYNGSYHEV DSSDLAFQIA DATA SEQUENCE ASLAFKKVMA EAHPVLLEPI YRLKVLAPQE RVGDVLSDLQ ARRGRILGME DATA SEQUENCE QEGALSVVHA EVPLAEVLEY YKALPGLTGG AGAYTLEFSH YAEVPPHLAQ DATA SEQUENCE RIVQERAQEG 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.990 3.960 0.050 0.000 0.244 6 G C 0.000 174.987 174.900 0.145 0.000 0.946 6 G CA 0.000 45.193 45.100 0.155 0.000 0.502 7 A N 1.858 124.714 122.820 0.060 0.000 2.667 7 A HA -0.171 4.178 4.320 0.050 0.000 0.298 7 A C 0.956 178.690 177.584 0.249 0.000 1.483 7 A CA 1.617 53.689 52.037 0.059 0.000 0.738 7 A CB -2.131 16.895 19.000 0.042 0.000 1.067 7 A HN 1.120 nan 8.150 nan 0.000 0.451 8 M N -0.757 119.161 119.600 0.530 0.000 2.226 8 M HA 0.575 5.085 4.480 0.050 0.000 0.324 8 M C 0.496 176.959 176.300 0.272 0.000 1.112 8 M CA 0.641 56.127 55.300 0.309 0.000 1.176 8 M CB 0.522 33.206 32.600 0.140 0.000 1.430 8 M HN 0.448 nan 8.290 nan 0.000 0.462 9 I N 1.121 121.822 120.570 0.218 0.000 2.686 9 I HA 0.518 4.718 4.170 0.050 0.000 0.295 9 I C -0.694 175.545 176.117 0.203 0.000 1.114 9 I CA -0.973 60.472 61.300 0.242 0.000 1.038 9 I CB 2.050 40.226 38.000 0.294 0.000 1.238 9 I HN 0.611 nan 8.210 nan 0.000 0.420 10 R N 3.034 123.658 120.500 0.207 0.000 2.651 10 R HA 0.555 4.924 4.340 0.050 0.000 0.278 10 R C -1.446 174.967 176.300 0.188 0.000 1.010 10 R CA -0.834 55.364 56.100 0.165 0.000 0.896 10 R CB 2.364 32.734 30.300 0.117 0.000 1.211 10 R HN 0.519 nan 8.270 nan 0.000 0.456 11 T N 1.446 116.085 114.554 0.143 0.000 2.791 11 T HA 0.519 4.899 4.350 0.050 0.000 0.288 11 T C -0.318 174.420 174.700 0.064 0.000 0.999 11 T CA -0.568 61.602 62.100 0.117 0.000 0.952 11 T CB 1.519 70.423 68.868 0.060 0.000 0.938 11 T HN 0.191 nan 8.240 nan 0.000 0.444 12 V N 1.975 121.917 119.914 0.047 0.000 2.789 12 V HA 0.835 4.984 4.120 0.050 0.000 0.311 12 V C -0.175 175.913 176.094 -0.009 0.000 1.073 12 V CA -1.207 61.100 62.300 0.013 0.000 0.921 12 V CB 1.978 33.811 31.823 0.017 0.000 1.009 12 V HN 1.035 nan 8.190 nan 0.000 0.426 13 A N 4.023 126.825 122.820 -0.031 0.000 2.260 13 A HA 0.778 5.128 4.320 0.050 0.000 0.314 13 A C -0.848 176.722 177.584 -0.024 0.000 1.257 13 A CA -0.417 51.597 52.037 -0.039 0.000 0.871 13 A CB 0.772 19.735 19.000 -0.061 0.000 1.166 13 A HN 0.875 nan 8.150 nan 0.000 0.522 14 L N 5.270 126.485 121.223 -0.012 0.000 2.261 14 L HA 0.587 4.957 4.340 0.050 0.000 0.289 14 L C -0.056 176.811 176.870 -0.006 0.000 1.059 14 L CA 0.047 54.885 54.840 -0.004 0.000 0.816 14 L CB 0.696 42.756 42.059 0.001 0.000 1.191 14 L HN 0.677 nan 8.230 nan 0.000 0.431 15 V N 2.283 122.195 119.914 -0.002 0.000 3.155 15 V HA 1.141 5.291 4.120 0.050 0.000 0.313 15 V C 0.109 176.212 176.094 0.015 0.000 1.162 15 V CA -0.135 62.164 62.300 -0.001 0.000 1.048 15 V CB 1.181 33.000 31.823 -0.006 0.000 1.092 15 V HN 1.141 nan 8.190 nan 0.000 0.447 16 G N -0.779 108.029 108.800 0.014 0.000 2.347 16 G HA2 0.265 4.255 3.960 0.050 0.000 0.321 16 G HA3 0.265 4.255 3.960 0.050 0.000 0.321 16 G C -1.307 173.601 174.900 0.014 0.000 1.412 16 G CA -0.356 44.764 45.100 0.034 0.000 0.990 16 G HN 1.617 nan 8.290 nan 0.000 0.637 17 H N 0.304 119.336 119.070 -0.063 0.000 2.852 17 H HA 0.525 5.111 4.556 0.050 0.000 0.362 17 H C 1.241 176.466 175.328 -0.172 0.000 1.122 17 H CA 1.218 57.199 56.048 -0.112 0.000 1.419 17 H CB 0.953 30.662 29.762 -0.089 0.000 1.401 17 H HN 1.053 nan 8.280 nan 0.000 0.609 18 A N 2.442 124.927 122.820 -0.558 0.000 2.531 18 A HA 0.366 4.715 4.320 0.050 0.000 0.236 18 A C 1.582 179.084 177.584 -0.137 0.000 1.062 18 A CA 0.506 52.233 52.037 -0.517 0.000 0.760 18 A CB -0.950 17.250 19.000 -1.334 0.000 0.995 18 A HN 1.428 nan 8.150 nan 0.000 0.501 19 G N 0.867 109.620 108.800 -0.078 0.000 2.162 19 G HA2 -0.252 3.738 3.960 0.050 0.000 0.260 19 G HA3 -0.252 3.738 3.960 0.050 0.000 0.260 19 G C 0.918 175.830 174.900 0.021 0.000 0.976 19 G CA 1.156 46.260 45.100 0.007 0.000 0.655 19 G HN 2.123 nan 8.290 nan 0.000 0.533 20 S N -0.230 115.478 115.700 0.015 0.000 2.701 20 S HA 0.424 4.923 4.470 0.050 0.000 0.220 20 S C 1.961 176.571 174.600 0.017 0.000 0.954 20 S CA 1.042 59.253 58.200 0.019 0.000 0.936 20 S CB 0.151 63.366 63.200 0.024 0.000 0.777 20 S HN 2.299 nan 8.310 nan 0.000 0.518 21 G N 1.611 110.420 108.800 0.015 0.000 2.147 21 G HA2 -0.291 3.699 3.960 0.050 0.000 0.244 21 G HA3 -0.291 3.699 3.960 0.050 0.000 0.244 21 G C 0.716 175.624 174.900 0.013 0.000 1.005 21 G CA 0.481 45.592 45.100 0.018 0.000 0.713 21 G HN 0.532 nan 8.290 nan 0.000 0.515 22 K N -0.699 119.704 120.400 0.006 0.000 2.002 22 K HA -0.069 4.281 4.320 0.050 0.000 0.209 22 K C 2.577 179.180 176.600 0.004 0.000 1.048 22 K CA 1.848 58.137 56.287 0.004 0.000 0.930 22 K CB -0.338 32.160 32.500 -0.004 0.000 0.714 22 K HN 0.328 nan 8.250 nan 0.000 0.438 23 T N 0.812 115.368 114.554 0.004 0.000 2.821 23 T HA -0.091 4.289 4.350 0.050 0.000 0.267 23 T C 1.892 176.597 174.700 0.009 0.000 1.046 23 T CA 1.558 63.663 62.100 0.007 0.000 1.139 23 T CB -0.242 68.630 68.868 0.006 0.000 0.871 23 T HN 0.271 nan 8.240 nan 0.000 0.454 24 T N 2.150 116.709 114.554 0.009 0.000 2.821 24 T HA 0.109 4.488 4.350 0.050 0.000 0.267 24 T C 1.881 176.584 174.700 0.004 0.000 1.046 24 T CA 0.569 62.672 62.100 0.006 0.000 1.139 24 T CB -0.278 68.595 68.868 0.009 0.000 0.871 24 T HN 0.218 nan 8.240 nan 0.000 0.454 25 L N 0.697 121.923 121.223 0.005 0.000 2.056 25 L HA -0.114 4.256 4.340 0.050 0.000 0.207 25 L C 2.667 179.535 176.870 -0.003 0.000 1.078 25 L CA 1.280 56.120 54.840 -0.001 0.000 0.749 25 L CB -0.645 41.415 42.059 0.002 0.000 0.901 25 L HN 0.298 nan 8.230 nan 0.000 0.433 26 T N -0.826 113.730 114.554 0.003 0.000 2.746 26 T HA -0.180 4.200 4.350 0.050 0.000 0.267 26 T C 1.730 176.439 174.700 0.014 0.000 1.039 26 T CA 1.125 63.228 62.100 0.005 0.000 1.142 26 T CB -0.117 68.759 68.868 0.013 0.000 0.866 26 T HN 0.277 nan 8.240 nan 0.000 0.444 27 E N 1.149 121.361 120.200 0.020 0.000 2.051 27 E HA -0.045 4.334 4.350 0.050 0.000 0.192 27 E C 2.595 179.231 176.600 0.059 0.000 0.991 27 E CA 1.211 57.631 56.400 0.034 0.000 0.799 27 E CB -0.551 29.158 29.700 0.016 0.000 0.748 27 E HN 0.501 nan 8.360 nan 0.000 0.449 28 A N 1.022 123.866 122.820 0.040 0.000 1.908 28 A HA -0.160 4.189 4.320 0.050 0.000 0.218 28 A C 2.424 180.045 177.584 0.062 0.000 1.181 28 A CA 1.210 53.287 52.037 0.068 0.000 0.627 28 A CB -0.732 18.277 19.000 0.015 0.000 0.818 28 A HN 0.193 nan 8.150 nan 0.000 0.445 29 L N -0.807 120.418 121.223 0.003 0.000 2.017 29 L HA -0.183 4.187 4.340 0.050 0.000 0.208 29 L C 2.600 179.449 176.870 -0.034 0.000 1.073 29 L CA 1.192 56.005 54.840 -0.046 0.000 0.745 29 L CB -0.504 41.517 42.059 -0.064 0.000 0.894 29 L HN 0.374 nan 8.230 nan 0.000 0.432 30 L N -1.635 119.592 121.223 0.006 0.000 2.046 30 L HA -0.281 4.089 4.340 0.050 0.000 0.208 30 L C 2.569 179.463 176.870 0.040 0.000 1.077 30 L CA 1.529 56.378 54.840 0.014 0.000 0.747 30 L CB -0.634 41.447 42.059 0.036 0.000 0.896 30 L HN 0.242 nan 8.230 nan 0.000 0.432 31 Y N 0.638 120.922 120.300 -0.028 0.000 2.163 31 Y HA -0.202 4.377 4.550 0.049 0.000 0.288 31 Y C 2.547 178.436 175.900 -0.018 0.000 1.136 31 Y CA 1.410 59.498 58.100 -0.019 0.000 1.147 31 Y CB 0.091 38.541 38.460 -0.017 0.000 0.987 31 Y HN -0.092 nan 8.280 nan 0.000 0.509 32 K N -0.093 120.197 120.400 -0.182 0.000 2.280 32 K HA -0.099 4.251 4.320 0.050 0.000 0.202 32 K C 1.853 178.338 176.600 -0.191 0.000 1.047 32 K CA 1.619 57.757 56.287 -0.248 0.000 0.942 32 K CB -0.593 31.850 32.500 -0.095 0.000 0.739 32 K HN 0.601 nan 8.250 nan 0.000 0.457 33 T N -3.727 110.744 114.554 -0.139 0.000 3.065 33 T HA 0.181 4.561 4.350 0.050 0.000 0.252 33 T C 1.355 176.019 174.700 -0.060 0.000 1.099 33 T CA 0.735 62.800 62.100 -0.058 0.000 1.063 33 T CB 0.402 69.243 68.868 -0.044 0.000 0.948 33 T HN 0.275 nan 8.240 nan 0.000 0.506 34 G N 0.732 109.458 108.800 -0.125 0.000 2.176 34 G HA2 -0.166 3.823 3.960 0.050 0.000 0.232 34 G HA3 -0.166 3.823 3.960 0.050 0.000 0.232 34 G C 1.085 175.956 174.900 -0.048 0.000 0.986 34 G CA 0.059 45.099 45.100 -0.100 0.000 0.643 34 G HN 1.003 nan 8.290 nan 0.000 0.522 35 A N -0.464 122.335 122.820 -0.035 0.000 2.067 35 A HA 0.438 4.788 4.320 0.050 0.000 0.219 35 A C 1.174 178.764 177.584 0.011 0.000 1.158 35 A CA 2.167 54.196 52.037 -0.014 0.000 0.661 35 A CB 0.044 19.031 19.000 -0.022 0.000 0.801 35 A HN 0.515 nan 8.150 nan 0.000 0.452 36 K N -0.673 119.746 120.400 0.032 0.000 2.468 36 K HA 0.266 4.615 4.320 0.050 0.000 0.252 36 K C 0.195 176.872 176.600 0.128 0.000 0.932 36 K CA -0.613 55.719 56.287 0.076 0.000 0.794 36 K CB 1.311 33.871 32.500 0.101 0.000 1.241 36 K HN -0.025 nan 8.250 nan 0.000 0.428 37 E N 2.558 122.823 120.200 0.109 0.000 2.085 37 E HA -0.136 4.244 4.350 0.050 0.000 0.194 37 E C -0.129 176.616 176.600 0.241 0.000 0.994 37 E CA 1.430 57.909 56.400 0.132 0.000 0.801 37 E CB 0.264 30.010 29.700 0.076 0.000 0.743 37 E HN 0.611 nan 8.360 nan 0.000 0.453 38 R N -0.343 120.263 120.500 0.178 0.000 2.698 38 R HA 0.434 4.804 4.340 0.050 0.000 0.275 38 R C -0.732 175.545 176.300 -0.037 0.000 1.001 38 R CA -0.898 55.231 56.100 0.047 0.000 0.896 38 R CB 1.097 31.384 30.300 -0.020 0.000 1.218 38 R HN -0.180 nan 8.270 nan 0.000 0.462 39 R N 1.379 121.699 120.500 -0.299 0.000 2.267 39 R HA 0.407 4.777 4.340 0.050 0.000 0.319 39 R C 0.071 176.297 176.300 -0.124 0.000 1.067 39 R CA -0.370 55.623 56.100 -0.177 0.000 0.936 39 R CB 1.024 31.163 30.300 -0.269 0.000 1.006 39 R HN 0.763 nan 8.270 nan 0.000 0.452 40 G N 2.524 111.294 108.800 -0.050 0.000 2.543 40 G HA2 0.416 4.405 3.960 0.050 0.000 0.290 40 G HA3 0.416 4.405 3.960 0.050 0.000 0.290 40 G C -0.558 174.324 174.900 -0.031 0.000 1.310 40 G CA -1.057 44.023 45.100 -0.034 0.000 1.025 40 G HN 0.548 nan 8.290 nan 0.000 0.502 41 R N -1.512 118.977 120.500 -0.018 0.000 2.795 41 R HA 0.374 4.744 4.340 0.050 0.000 0.275 41 R C 0.870 177.171 176.300 0.002 0.000 0.981 41 R CA -0.950 55.143 56.100 -0.011 0.000 0.917 41 R CB 2.250 32.541 30.300 -0.015 0.000 1.202 41 R HN 0.240 nan 8.270 nan 0.000 0.469 42 V N 1.847 121.766 119.914 0.007 0.000 2.343 42 V HA -0.232 3.918 4.120 0.050 0.000 0.247 42 V C 1.454 177.557 176.094 0.014 0.000 1.051 42 V CA 1.945 64.254 62.300 0.014 0.000 1.036 42 V CB -0.400 31.435 31.823 0.021 0.000 0.654 42 V HN 0.733 nan 8.190 nan 0.000 0.451 43 E N 0.433 120.640 120.200 0.012 0.000 2.160 43 E HA -0.224 4.156 4.350 0.050 0.000 0.195 43 E C 1.952 178.556 176.600 0.006 0.000 0.991 43 E CA 1.497 57.904 56.400 0.011 0.000 0.810 43 E CB -0.202 29.503 29.700 0.009 0.000 0.742 43 E HN 0.710 nan 8.360 nan 0.000 0.466 44 E N -0.790 119.412 120.200 0.003 0.000 2.474 44 E HA 0.164 4.544 4.350 0.050 0.000 0.195 44 E C 0.661 177.264 176.600 0.005 0.000 1.039 44 E CA 0.249 56.650 56.400 0.001 0.000 0.881 44 E CB 0.630 30.327 29.700 -0.004 0.000 0.970 44 E HN 0.280 nan 8.360 nan 0.000 0.486 45 G N 2.563 111.368 108.800 0.009 0.000 2.221 45 G HA2 -0.303 3.687 3.960 0.050 0.000 0.265 45 G HA3 -0.303 3.687 3.960 0.050 0.000 0.265 45 G C 0.663 175.577 174.900 0.023 0.000 1.041 45 G CA 0.863 45.973 45.100 0.016 0.000 0.807 45 G HN 0.357 nan 8.290 nan 0.000 0.502 46 T N -2.115 112.450 114.554 0.018 0.000 3.266 46 T HA 0.514 4.894 4.350 0.050 0.000 0.278 46 T C 0.834 175.550 174.700 0.026 0.000 1.010 46 T CA 0.672 62.784 62.100 0.020 0.000 0.909 46 T CB 0.561 69.433 68.868 0.006 0.000 1.122 46 T HN 1.160 nan 8.240 nan 0.000 0.536 47 T N -1.905 112.671 114.554 0.036 0.000 2.927 47 T HA 0.387 4.766 4.350 0.050 0.000 0.281 47 T C 1.274 176.018 174.700 0.074 0.000 0.998 47 T CA -0.410 61.716 62.100 0.043 0.000 1.019 47 T CB 1.403 70.291 68.868 0.034 0.000 1.061 47 T HN -0.031 nan 8.240 nan 0.000 0.518 48 T N 1.315 115.914 114.554 0.075 0.000 2.857 48 T HA -0.048 4.332 4.350 0.050 0.000 0.266 48 T C 2.092 176.895 174.700 0.172 0.000 1.048 48 T CA 1.767 63.927 62.100 0.101 0.000 1.139 48 T CB -0.635 68.278 68.868 0.073 0.000 0.874 48 T HN 0.795 nan 8.240 nan 0.000 0.455 49 T N 1.886 116.515 114.554 0.124 0.000 2.668 49 T HA -0.055 4.325 4.350 0.050 0.000 0.262 49 T C 0.546 175.287 174.700 0.069 0.000 1.045 49 T CA 0.914 63.081 62.100 0.111 0.000 1.152 49 T CB -0.242 68.652 68.868 0.043 0.000 0.864 49 T HN 0.276 nan 8.240 nan 0.000 0.419 50 D N 1.288 121.703 120.400 0.025 0.000 2.453 50 D HA 0.217 4.886 4.640 0.050 0.000 0.223 50 D C 0.193 176.498 176.300 0.008 0.000 1.183 50 D CA -0.196 53.769 54.000 -0.059 0.000 0.933 50 D CB 0.445 41.222 40.800 -0.039 0.000 1.038 50 D HN 0.616 nan 8.370 nan 0.000 0.513 51 Y N -0.619 119.676 120.300 -0.008 0.000 2.467 51 Y HA 0.125 4.703 4.550 0.048 0.000 0.259 51 Y C 1.109 177.009 175.900 0.001 0.000 1.084 51 Y CA -0.590 57.511 58.100 0.002 0.000 1.275 51 Y CB -0.519 37.948 38.460 0.011 0.000 1.208 51 Y HN 0.009 nan 8.280 nan 0.000 0.511 52 T N -0.579 113.738 114.554 -0.395 0.000 2.900 52 T HA 0.165 4.544 4.350 0.050 0.000 0.307 52 T C -1.743 172.914 174.700 -0.072 0.000 1.065 52 T CA -1.360 60.631 62.100 -0.182 0.000 1.105 52 T CB 1.246 69.928 68.868 -0.311 0.000 0.979 52 T HN -0.048 nan 8.240 nan 0.000 0.544 53 P HA -0.118 nan 4.420 nan 0.000 0.216 53 P C 1.299 178.591 177.300 -0.012 0.000 1.153 53 P CA 1.134 64.227 63.100 -0.012 0.000 0.858 53 P CB 0.058 31.751 31.700 -0.012 0.000 0.789 54 E N -0.358 119.838 120.200 -0.007 0.000 2.051 54 E HA -0.147 4.233 4.350 0.050 0.000 0.192 54 E C 2.163 178.816 176.600 0.087 0.000 0.991 54 E CA 1.629 58.077 56.400 0.081 0.000 0.799 54 E CB -1.328 28.397 29.700 0.042 0.000 0.748 54 E HN 0.154 nan 8.360 nan 0.000 0.449 55 A N 1.098 123.890 122.820 -0.047 0.000 1.877 55 A HA -0.242 4.108 4.320 0.050 0.000 0.216 55 A C 1.932 179.513 177.584 -0.006 0.000 1.186 55 A CA 1.855 53.853 52.037 -0.065 0.000 0.620 55 A CB -0.376 18.524 19.000 -0.167 0.000 0.822 55 A HN 0.124 nan 8.150 nan 0.000 0.443 56 K N -0.899 119.490 120.400 -0.017 0.000 2.057 56 K HA -0.052 4.298 4.320 0.050 0.000 0.206 56 K C 1.915 178.503 176.600 -0.019 0.000 1.050 56 K CA 1.220 57.503 56.287 -0.007 0.000 0.935 56 K CB -0.352 32.146 32.500 -0.003 0.000 0.715 56 K HN 0.360 nan 8.250 nan 0.000 0.439 57 L N 1.046 122.239 121.223 -0.050 0.000 2.017 57 L HA -0.163 4.206 4.340 0.050 0.000 0.208 57 L C 1.711 178.440 176.870 -0.235 0.000 1.073 57 L CA 1.923 56.667 54.840 -0.160 0.000 0.745 57 L CB -0.409 41.505 42.059 -0.242 0.000 0.894 57 L HN 0.292 nan 8.230 nan 0.000 0.432 58 H N -0.483 118.600 119.070 0.021 0.000 2.539 58 H HA 0.185 4.771 4.556 0.049 0.000 0.269 58 H C 0.198 175.563 175.328 0.062 0.000 0.980 58 H CA 0.016 56.090 56.048 0.044 0.000 1.152 58 H CB 0.209 30.010 29.762 0.066 0.000 1.407 58 H HN 0.110 nan 8.280 nan 0.000 0.564 59 R N 0.828 121.393 120.500 0.109 0.000 3.405 59 R HA -0.156 4.214 4.340 0.050 0.000 0.258 59 R C -0.413 175.964 176.300 0.128 0.000 1.030 59 R CA 0.871 57.026 56.100 0.091 0.000 0.691 59 R CB -2.307 28.039 30.300 0.077 0.000 1.093 59 R HN 0.417 nan 8.270 nan 0.000 0.448 60 T N -2.004 112.630 114.554 0.133 0.000 2.889 60 T HA 0.400 4.779 4.350 0.050 0.000 0.315 60 T C -0.682 174.031 174.700 0.022 0.000 1.291 60 T CA -0.173 62.015 62.100 0.147 0.000 1.028 60 T CB 1.321 70.404 68.868 0.357 0.000 1.235 60 T HN 0.042 nan 8.240 nan 0.000 0.491 61 T N 3.488 118.029 114.554 -0.021 0.000 2.775 61 T HA 0.204 4.584 4.350 0.050 0.000 0.281 61 T C 1.496 175.996 174.700 -0.333 0.000 0.908 61 T CA -0.208 61.813 62.100 -0.132 0.000 1.123 61 T CB 0.403 69.221 68.868 -0.085 0.000 0.879 61 T HN 0.458 nan 8.240 nan 0.000 0.547 62 V N 3.753 123.364 119.914 -0.504 0.000 2.725 62 V HA 0.109 4.258 4.120 0.050 0.000 0.247 62 V C 1.295 176.989 176.094 -0.667 0.000 1.058 62 V CA 1.131 62.833 62.300 -0.997 0.000 1.080 62 V CB -0.131 31.292 31.823 -0.665 0.000 0.713 62 V HN 0.631 nan 8.190 nan 0.000 0.465 63 R N -0.010 120.249 120.500 -0.402 0.000 2.621 63 R HA 0.422 4.792 4.340 0.050 0.000 0.292 63 R C -0.520 175.665 176.300 -0.192 0.000 0.969 63 R CA -0.344 55.589 56.100 -0.278 0.000 0.887 63 R CB 1.540 31.659 30.300 -0.301 0.000 1.180 63 R HN 0.116 nan 8.270 nan 0.000 0.450 64 T N 1.402 115.885 114.554 -0.117 0.000 2.908 64 T HA 0.148 4.528 4.350 0.050 0.000 0.301 64 T C 0.565 175.251 174.700 -0.023 0.000 1.019 64 T CA 0.322 62.397 62.100 -0.041 0.000 1.152 64 T CB 0.671 69.561 68.868 0.038 0.000 0.966 64 T HN 0.665 nan 8.240 nan 0.000 0.540 65 G N 1.782 110.597 108.800 0.025 0.000 2.388 65 G HA2 0.555 4.545 3.960 0.050 0.000 0.330 65 G HA3 0.555 4.545 3.960 0.050 0.000 0.330 65 G C -0.704 174.271 174.900 0.124 0.000 1.142 65 G CA -0.562 44.594 45.100 0.093 0.000 0.908 65 G HN 0.668 nan 8.290 nan 0.000 0.473 66 V N 1.111 121.133 119.914 0.181 0.000 2.407 66 V HA 0.617 4.767 4.120 0.050 0.000 0.278 66 V C 0.480 176.657 176.094 0.139 0.000 1.037 66 V CA -0.515 61.904 62.300 0.200 0.000 0.900 66 V CB 1.321 33.328 31.823 0.307 0.000 0.983 66 V HN 1.003 nan 8.190 nan 0.000 0.459 67 A N 7.783 130.656 122.820 0.089 0.000 2.536 67 A HA 0.686 5.036 4.320 0.050 0.000 0.329 67 A C -2.578 174.971 177.584 -0.060 0.000 1.321 67 A CA -1.570 50.481 52.037 0.024 0.000 0.804 67 A CB 0.769 19.776 19.000 0.011 0.000 1.126 67 A HN 0.591 nan 8.150 nan 0.000 0.480 68 P HA 0.268 nan 4.420 nan 0.000 0.280 68 P C -0.741 176.355 177.300 -0.340 0.000 1.300 68 P CA 0.251 63.109 63.100 -0.402 0.000 0.785 68 P CB 0.715 32.218 31.700 -0.329 0.000 0.874 69 L N 4.667 125.669 121.223 -0.369 0.000 2.282 69 L HA 0.433 4.803 4.340 0.050 0.000 0.288 69 L C 0.331 177.090 176.870 -0.185 0.000 1.033 69 L CA -1.076 53.637 54.840 -0.212 0.000 0.807 69 L CB 1.392 43.362 42.059 -0.149 0.000 1.209 69 L HN 0.251 nan 8.230 nan 0.000 0.423 70 L N 4.457 125.629 121.223 -0.085 0.000 2.313 70 L HA 0.597 4.967 4.340 0.050 0.000 0.283 70 L C -1.364 175.595 176.870 0.149 0.000 1.013 70 L CA -0.055 54.779 54.840 -0.010 0.000 0.816 70 L CB 1.278 43.316 42.059 -0.034 0.000 1.236 70 L HN 0.383 nan 8.230 nan 0.000 0.419 71 F N 5.317 125.249 119.950 -0.031 0.000 2.831 71 F HA 0.466 5.022 4.527 0.049 0.000 0.346 71 F C 0.270 176.085 175.800 0.024 0.000 1.224 71 F CA -0.720 57.282 58.000 0.003 0.000 1.048 71 F CB 0.725 39.742 39.000 0.028 0.000 1.339 71 F HN 0.630 nan 8.300 nan 0.000 0.514 72 R N 3.708 124.006 120.500 -0.337 0.000 3.416 72 R HA -0.215 4.155 4.340 0.050 0.000 0.263 72 R C 1.088 177.155 176.300 -0.389 0.000 1.053 72 R CA 0.993 56.862 56.100 -0.386 0.000 0.705 72 R CB -1.855 28.125 30.300 -0.533 0.000 1.124 72 R HN 1.519 nan 8.270 nan 0.000 0.444 73 G N -1.331 107.309 108.800 -0.267 0.000 2.268 73 G HA2 -0.321 3.669 3.960 0.050 0.000 0.240 73 G HA3 -0.321 3.669 3.960 0.050 0.000 0.240 73 G C 0.154 174.885 174.900 -0.281 0.000 1.010 73 G CA 0.446 45.374 45.100 -0.286 0.000 0.618 73 G HN 0.556 nan 8.290 nan 0.000 0.516 74 H N 0.645 119.729 119.070 0.022 0.000 2.505 74 H HA 0.645 5.231 4.556 0.049 0.000 0.351 74 H C 0.582 175.942 175.328 0.055 0.000 1.151 74 H CA 0.007 56.093 56.048 0.063 0.000 1.339 74 H CB 0.769 30.583 29.762 0.088 0.000 1.483 74 H HN 0.322 nan 8.280 nan 0.000 0.558 75 R N 1.093 121.694 120.500 0.168 0.000 2.513 75 R HA 0.462 4.832 4.340 0.050 0.000 0.301 75 R C -1.201 175.095 176.300 -0.006 0.000 0.968 75 R CA -0.803 55.291 56.100 -0.010 0.000 0.872 75 R CB 2.137 32.404 30.300 -0.055 0.000 1.177 75 R HN 0.243 nan 8.270 nan 0.000 0.444 76 V N 4.588 124.417 119.914 -0.142 0.000 2.376 76 V HA 0.362 4.512 4.120 0.050 0.000 0.287 76 V C -0.881 175.086 176.094 -0.212 0.000 1.015 76 V CA -0.683 61.580 62.300 -0.062 0.000 0.834 76 V CB 1.158 32.966 31.823 -0.025 0.000 1.001 76 V HN 0.584 nan 8.190 nan 0.000 0.428 77 F N 5.498 125.414 119.950 -0.058 0.000 2.368 77 F HA 0.471 5.027 4.527 0.048 0.000 0.362 77 F C -0.001 175.777 175.800 -0.037 0.000 1.137 77 F CA -0.405 57.555 58.000 -0.067 0.000 1.161 77 F CB 1.111 40.053 39.000 -0.096 0.000 1.265 77 F HN 0.321 nan 8.300 nan 0.000 0.530 78 L N 5.413 126.671 121.223 0.058 0.000 2.275 78 L HA 0.488 4.858 4.340 0.050 0.000 0.288 78 L C -0.882 176.022 176.870 0.057 0.000 1.046 78 L CA -0.281 54.583 54.840 0.040 0.000 0.805 78 L CB 0.649 42.709 42.059 0.001 0.000 1.193 78 L HN 0.401 nan 8.230 nan 0.000 0.426 79 L N 4.787 126.032 121.223 0.038 0.000 2.262 79 L HA 0.340 4.710 4.340 0.050 0.000 0.288 79 L C -0.427 176.456 176.870 0.023 0.000 1.035 79 L CA -0.591 54.273 54.840 0.041 0.000 0.820 79 L CB 1.020 43.071 42.059 -0.014 0.000 1.204 79 L HN 0.546 nan 8.230 nan 0.000 0.424 80 D N 3.606 124.025 120.400 0.032 0.000 2.435 80 D HA 0.357 5.027 4.640 0.050 0.000 0.230 80 D C 0.125 176.427 176.300 0.002 0.000 1.215 80 D CA -0.040 53.969 54.000 0.014 0.000 0.947 80 D CB 1.005 41.816 40.800 0.018 0.000 1.048 80 D HN 0.542 nan 8.370 nan 0.000 0.512 81 A N 4.553 127.370 122.820 -0.005 0.000 2.287 81 A HA 0.605 4.955 4.320 0.050 0.000 0.273 81 A C -2.274 175.298 177.584 -0.020 0.000 1.091 81 A CA -1.174 50.856 52.037 -0.011 0.000 0.817 81 A CB 0.260 19.255 19.000 -0.009 0.000 1.069 81 A HN 0.448 nan 8.150 nan 0.000 0.492 82 P HA 0.283 nan 4.420 nan 0.000 0.274 82 P C 0.742 178.047 177.300 0.008 0.000 1.256 82 P CA 0.377 63.484 63.100 0.011 0.000 0.795 82 P CB 0.775 32.521 31.700 0.078 0.000 1.038 83 G N -1.219 107.566 108.800 -0.026 0.000 2.720 83 G HA2 0.045 4.035 3.960 0.050 0.000 0.204 83 G HA3 0.045 4.035 3.960 0.050 0.000 0.204 83 G C -0.283 174.455 174.900 -0.270 0.000 1.113 83 G CA 0.279 45.261 45.100 -0.198 0.000 0.805 83 G HN 0.395 nan 8.290 nan 0.000 0.536 84 Y N 0.923 121.214 120.300 -0.014 0.000 2.411 84 Y HA 0.350 4.930 4.550 0.049 0.000 0.333 84 Y C 1.885 177.668 175.900 -0.195 0.000 1.186 84 Y CA 0.075 58.093 58.100 -0.137 0.000 1.381 84 Y CB 1.506 39.880 38.460 -0.144 0.000 1.273 84 Y HN 0.038 nan 8.280 nan 0.000 0.546 85 G N 1.487 110.261 108.800 -0.043 0.000 2.498 85 G HA2 -0.246 3.743 3.960 0.050 0.000 0.219 85 G HA3 -0.246 3.743 3.960 0.050 0.000 0.219 85 G C 0.910 175.652 174.900 -0.263 0.000 1.119 85 G CA 0.932 45.957 45.100 -0.124 0.000 0.766 85 G HN 0.737 nan 8.290 nan 0.000 0.552 86 D N 0.087 120.235 120.400 -0.420 0.000 2.182 86 D HA -0.082 4.588 4.640 0.050 0.000 0.201 86 D C 0.993 176.733 176.300 -0.933 0.000 0.986 86 D CA 0.781 54.348 54.000 -0.722 0.000 0.847 86 D CB -0.197 39.926 40.800 -1.128 0.000 0.942 86 D HN 0.513 nan 8.370 nan 0.000 0.467 87 F N -0.293 119.530 119.950 -0.212 0.000 2.925 87 F HA 0.228 4.785 4.527 0.050 0.000 0.302 87 F C 1.513 177.173 175.800 -0.233 0.000 1.189 87 F CA -0.495 57.356 58.000 -0.248 0.000 1.346 87 F CB 0.253 39.182 39.000 -0.118 0.000 0.954 87 F HN -0.212 nan 8.300 nan 0.000 0.506 88 V N 0.931 120.698 119.914 -0.245 0.000 2.453 88 V HA -0.223 3.926 4.120 0.050 0.000 0.252 88 V C 2.257 178.247 176.094 -0.172 0.000 1.068 88 V CA 2.605 64.769 62.300 -0.227 0.000 1.070 88 V CB -0.592 31.017 31.823 -0.358 0.000 0.664 88 V HN 0.568 nan 8.190 nan 0.000 0.461 89 G N -0.803 107.885 108.800 -0.187 0.000 2.459 89 G HA2 -0.248 3.742 3.960 0.050 0.000 0.217 89 G HA3 -0.248 3.742 3.960 0.050 0.000 0.217 89 G C 1.503 176.391 174.900 -0.020 0.000 1.183 89 G CA 0.888 45.940 45.100 -0.081 0.000 0.776 89 G HN 0.532 nan 8.290 nan 0.000 0.552 90 E N 0.295 120.499 120.200 0.006 0.000 2.106 90 E HA -0.023 4.357 4.350 0.050 0.000 0.192 90 E C 2.673 179.287 176.600 0.024 0.000 0.984 90 E CA 0.379 56.794 56.400 0.025 0.000 0.806 90 E CB -0.144 29.560 29.700 0.007 0.000 0.750 90 E HN 0.532 nan 8.360 nan 0.000 0.458 91 I N 0.674 121.247 120.570 0.004 0.000 2.142 91 I HA -0.268 3.932 4.170 0.050 0.000 0.240 91 I C 2.539 178.640 176.117 -0.026 0.000 1.078 91 I CA 1.151 62.444 61.300 -0.011 0.000 1.343 91 I CB -0.235 37.752 38.000 -0.021 0.000 1.046 91 I HN -0.019 nan 8.210 nan 0.000 0.405 92 R N 0.614 121.088 120.500 -0.044 0.000 2.148 92 R HA -0.069 4.301 4.340 0.050 0.000 0.227 92 R C 2.347 178.621 176.300 -0.043 0.000 1.103 92 R CA 1.229 57.292 56.100 -0.060 0.000 0.983 92 R CB -0.509 29.737 30.300 -0.090 0.000 0.874 92 R HN 0.458 nan 8.270 nan 0.000 0.451 93 G N 0.647 109.451 108.800 0.007 0.000 2.403 93 G HA2 -0.179 3.811 3.960 0.050 0.000 0.216 93 G HA3 -0.179 3.811 3.960 0.050 0.000 0.216 93 G C 1.532 176.472 174.900 0.067 0.000 1.154 93 G CA 0.601 45.758 45.100 0.095 0.000 0.784 93 G HN 0.359 nan 8.290 nan 0.000 0.538 94 A N 0.655 123.488 122.820 0.022 0.000 1.902 94 A HA 0.115 4.464 4.320 0.050 0.000 0.217 94 A C 2.391 179.884 177.584 -0.152 0.000 1.181 94 A CA 1.115 53.089 52.037 -0.106 0.000 0.623 94 A CB -0.394 18.586 19.000 -0.035 0.000 0.818 94 A HN 0.341 nan 8.150 nan 0.000 0.443 95 L N -0.822 120.351 121.223 -0.084 0.000 2.141 95 L HA -0.163 4.207 4.340 0.050 0.000 0.209 95 L C 2.540 179.379 176.870 -0.053 0.000 1.094 95 L CA 1.302 56.097 54.840 -0.074 0.000 0.763 95 L CB -0.461 41.557 42.059 -0.067 0.000 0.908 95 L HN 0.466 nan 8.230 nan 0.000 0.437 96 E N 0.012 120.188 120.200 -0.039 0.000 2.153 96 E HA -0.193 4.187 4.350 0.050 0.000 0.194 96 E C 2.126 178.788 176.600 0.105 0.000 0.988 96 E CA 1.082 57.503 56.400 0.034 0.000 0.811 96 E CB -0.041 29.686 29.700 0.044 0.000 0.746 96 E HN 0.497 nan 8.360 nan 0.000 0.466 97 A N 0.781 123.529 122.820 -0.119 0.000 2.169 97 A HA 0.290 4.640 4.320 0.050 0.000 0.212 97 A C 1.088 178.565 177.584 -0.179 0.000 1.153 97 A CA 0.541 52.385 52.037 -0.320 0.000 0.756 97 A CB 0.151 18.400 19.000 -1.251 0.000 0.813 97 A HN 0.196 nan 8.150 nan 0.000 0.471 98 A N -0.607 122.166 122.820 -0.078 0.000 2.281 98 A HA 0.564 4.914 4.320 0.050 0.000 0.329 98 A C -0.120 177.514 177.584 0.084 0.000 1.122 98 A CA -0.343 51.685 52.037 -0.015 0.000 0.850 98 A CB 0.596 19.564 19.000 -0.053 0.000 1.207 98 A HN 0.097 nan 8.150 nan 0.000 0.495 99 D N -0.266 120.184 120.400 0.084 0.000 2.369 99 D HA 0.460 5.130 4.640 0.050 0.000 0.211 99 D C 0.179 176.477 176.300 -0.003 0.000 1.077 99 D CA 1.362 55.410 54.000 0.081 0.000 0.842 99 D CB 0.707 41.583 40.800 0.128 0.000 0.947 99 D HN 0.769 nan 8.370 nan 0.000 0.509 100 A N -0.102 122.706 122.820 -0.021 0.000 2.597 100 A HA 0.731 5.080 4.320 0.050 0.000 0.292 100 A C -1.630 175.912 177.584 -0.070 0.000 1.057 100 A CA -0.508 51.492 52.037 -0.062 0.000 0.674 100 A CB 1.105 20.074 19.000 -0.052 0.000 1.278 100 A HN 0.002 nan 8.150 nan 0.000 0.416 101 A N 0.385 123.140 122.820 -0.108 0.000 2.318 101 A HA 0.684 5.034 4.320 0.050 0.000 0.317 101 A C -1.072 176.468 177.584 -0.074 0.000 1.159 101 A CA -0.436 51.538 52.037 -0.104 0.000 0.799 101 A CB 0.875 19.777 19.000 -0.164 0.000 1.194 101 A HN 1.860 nan 8.150 nan 0.000 0.479 102 L N 4.025 125.230 121.223 -0.030 0.000 2.262 102 L HA 0.585 4.955 4.340 0.050 0.000 0.288 102 L C -0.892 175.991 176.870 0.022 0.000 1.035 102 L CA -0.097 54.746 54.840 0.005 0.000 0.820 102 L CB 1.300 43.365 42.059 0.010 0.000 1.204 102 L HN 0.367 nan 8.230 nan 0.000 0.424 103 V N 5.959 125.909 119.914 0.061 0.000 2.311 103 V HA 0.628 4.778 4.120 0.050 0.000 0.275 103 V C 0.698 176.840 176.094 0.080 0.000 1.022 103 V CA -0.519 61.837 62.300 0.093 0.000 0.830 103 V CB 0.748 32.696 31.823 0.209 0.000 1.012 103 V HN 0.943 nan 8.190 nan 0.000 0.452 104 A N 5.127 127.978 122.820 0.051 0.000 2.401 104 A HA 0.661 5.011 4.320 0.050 0.000 0.259 104 A C -0.297 177.304 177.584 0.029 0.000 1.103 104 A CA -0.172 51.887 52.037 0.037 0.000 0.789 104 A CB 0.617 19.632 19.000 0.026 0.000 1.035 104 A HN 0.699 nan 8.150 nan 0.000 0.491 105 V N 2.682 122.604 119.914 0.012 0.000 2.482 105 V HA 0.296 4.446 4.120 0.050 0.000 0.295 105 V C 0.484 176.564 176.094 -0.024 0.000 1.026 105 V CA -0.516 61.775 62.300 -0.016 0.000 0.856 105 V CB 1.670 33.467 31.823 -0.044 0.000 1.001 105 V HN 1.014 nan 8.190 nan 0.000 0.424 106 S N 3.822 119.505 115.700 -0.028 0.000 2.516 106 S HA 0.328 4.827 4.470 0.050 0.000 0.282 106 S C 1.462 176.032 174.600 -0.050 0.000 1.286 106 S CA 0.226 58.407 58.200 -0.030 0.000 1.066 106 S CB 1.213 64.397 63.200 -0.026 0.000 0.884 106 S HN 1.051 nan 8.310 nan 0.000 0.491 107 A N 4.440 127.228 122.820 -0.053 0.000 1.972 107 A HA -0.094 4.255 4.320 0.050 0.000 0.219 107 A C 1.958 179.510 177.584 -0.052 0.000 1.169 107 A CA 1.557 53.557 52.037 -0.062 0.000 0.635 107 A CB -0.592 18.361 19.000 -0.078 0.000 0.810 107 A HN 1.009 nan 8.150 nan 0.000 0.446 108 E N -0.780 119.395 120.200 -0.040 0.000 2.285 108 E HA 0.196 4.576 4.350 0.050 0.000 0.194 108 E C 1.533 178.108 176.600 -0.041 0.000 0.997 108 E CA 0.804 57.186 56.400 -0.030 0.000 0.845 108 E CB -0.137 29.555 29.700 -0.014 0.000 0.782 108 E HN 0.460 nan 8.360 nan 0.000 0.491 109 A N 1.165 123.951 122.820 -0.057 0.000 2.167 109 A HA 0.499 4.849 4.320 0.050 0.000 0.208 109 A C 1.281 178.807 177.584 -0.097 0.000 1.198 109 A CA 0.557 52.546 52.037 -0.079 0.000 0.863 109 A CB 0.045 18.984 19.000 -0.102 0.000 0.904 109 A HN 0.452 nan 8.150 nan 0.000 0.484 110 G N -0.988 107.754 108.800 -0.095 0.000 2.698 110 G HA2 -0.093 3.897 3.960 0.050 0.000 0.233 110 G HA3 -0.093 3.897 3.960 0.050 0.000 0.233 110 G C -0.108 174.716 174.900 -0.125 0.000 1.352 110 G CA -0.428 44.606 45.100 -0.109 0.000 0.879 110 G HN 0.982 nan 8.290 nan 0.000 0.567 111 V N 1.757 121.589 119.914 -0.137 0.000 2.540 111 V HA 0.313 4.463 4.120 0.050 0.000 0.297 111 V C 0.961 176.967 176.094 -0.147 0.000 1.024 111 V CA 1.060 63.273 62.300 -0.145 0.000 1.105 111 V CB 0.740 32.458 31.823 -0.175 0.000 0.938 111 V HN 0.750 nan 8.190 nan 0.000 0.482 112 Q N 2.675 122.380 119.800 -0.158 0.000 2.486 112 Q HA 0.440 4.810 4.340 0.050 0.000 0.274 112 Q C 1.025 176.985 176.000 -0.067 0.000 1.076 112 Q CA -0.985 54.683 55.803 -0.225 0.000 0.872 112 Q CB 1.710 30.072 28.738 -0.627 0.000 1.383 112 Q HN 0.386 nan 8.270 nan 0.000 0.478 113 V N 0.339 120.253 119.914 -0.000 0.000 2.332 113 V HA -0.232 3.917 4.120 0.050 0.000 0.248 113 V C 1.830 178.027 176.094 0.172 0.000 1.055 113 V CA 2.488 64.851 62.300 0.105 0.000 1.038 113 V CB -1.018 30.889 31.823 0.140 0.000 0.651 113 V HN 1.051 nan 8.190 nan 0.000 0.450 114 G N -0.692 108.355 108.800 0.411 0.000 2.471 114 G HA2 -0.182 3.808 3.960 0.050 0.000 0.219 114 G HA3 -0.182 3.808 3.960 0.050 0.000 0.219 114 G C 1.607 176.581 174.900 0.123 0.000 1.125 114 G CA 1.373 46.584 45.100 0.184 0.000 0.775 114 G HN 0.509 nan 8.290 nan 0.000 0.548 115 T N 1.016 115.642 114.554 0.121 0.000 2.732 115 T HA -0.033 4.347 4.350 0.050 0.000 0.261 115 T C 2.151 176.904 174.700 0.089 0.000 1.040 115 T CA 1.333 63.477 62.100 0.074 0.000 1.145 115 T CB -0.168 68.698 68.868 -0.004 0.000 0.866 115 T HN 0.464 nan 8.240 nan 0.000 0.427 116 E N 1.205 121.432 120.200 0.045 0.000 2.118 116 E HA -0.125 4.255 4.350 0.050 0.000 0.195 116 E C 2.510 179.173 176.600 0.106 0.000 0.992 116 E CA 0.878 57.310 56.400 0.053 0.000 0.804 116 E CB -0.150 29.555 29.700 0.007 0.000 0.741 116 E HN 0.391 nan 8.360 nan 0.000 0.458 117 R N 0.512 121.058 120.500 0.076 0.000 2.075 117 R HA -0.056 4.313 4.340 0.050 0.000 0.232 117 R C 2.402 178.735 176.300 0.055 0.000 1.126 117 R CA 1.112 57.244 56.100 0.054 0.000 0.963 117 R CB -0.267 30.048 30.300 0.025 0.000 0.858 117 R HN 0.119 nan 8.270 nan 0.000 0.435 118 A N 0.955 123.817 122.820 0.070 0.000 1.873 118 A HA -0.188 4.162 4.320 0.050 0.000 0.215 118 A C 1.892 179.511 177.584 0.058 0.000 1.186 118 A CA 0.879 52.944 52.037 0.047 0.000 0.616 118 A CB -0.932 18.100 19.000 0.053 0.000 0.823 118 A HN 0.559 nan 8.150 nan 0.000 0.442 119 W N 1.215 122.472 121.300 -0.071 0.000 2.335 119 W HA -0.181 4.508 4.660 0.050 0.000 0.311 119 W C 1.951 178.421 176.519 -0.081 0.000 1.213 119 W CA 2.461 59.747 57.345 -0.099 0.000 1.274 119 W CB -0.729 28.660 29.460 -0.118 0.000 1.148 119 W HN 0.373 nan 8.180 nan 0.000 0.498 120 T N 0.856 115.510 114.554 0.166 0.000 2.777 120 T HA -0.173 4.207 4.350 0.050 0.000 0.266 120 T C 1.863 176.555 174.700 -0.013 0.000 1.040 120 T CA 1.844 63.992 62.100 0.080 0.000 1.141 120 T CB -0.703 68.219 68.868 0.089 0.000 0.868 120 T HN -0.057 nan 8.240 nan 0.000 0.444 121 V N 1.734 121.635 119.914 -0.022 0.000 2.343 121 V HA -0.168 3.982 4.120 0.050 0.000 0.247 121 V C 2.875 178.916 176.094 -0.087 0.000 1.051 121 V CA 1.677 63.950 62.300 -0.046 0.000 1.036 121 V CB -1.199 30.598 31.823 -0.045 0.000 0.654 121 V HN 0.524 nan 8.190 nan 0.000 0.451 122 A N -0.367 122.368 122.820 -0.142 0.000 1.877 122 A HA -0.285 4.065 4.320 0.050 0.000 0.216 122 A C 2.280 179.731 177.584 -0.222 0.000 1.186 122 A CA 2.061 53.975 52.037 -0.206 0.000 0.620 122 A CB -0.536 18.273 19.000 -0.318 0.000 0.822 122 A HN 0.619 nan 8.150 nan 0.000 0.443 123 E N -0.748 119.296 120.200 -0.260 0.000 2.077 123 E HA -0.246 4.133 4.350 0.050 0.000 0.193 123 E C 2.173 178.715 176.600 -0.096 0.000 0.989 123 E CA 1.242 57.526 56.400 -0.194 0.000 0.800 123 E CB -0.022 29.589 29.700 -0.148 0.000 0.746 123 E HN 0.374 nan 8.360 nan 0.000 0.452 124 R N 0.088 120.549 120.500 -0.065 0.000 2.115 124 R HA -0.002 4.367 4.340 0.050 0.000 0.230 124 R C 2.094 178.373 176.300 -0.035 0.000 1.111 124 R CA 0.717 56.798 56.100 -0.032 0.000 0.976 124 R CB -0.316 29.978 30.300 -0.010 0.000 0.870 124 R HN 0.264 nan 8.270 nan 0.000 0.445 125 L N -0.740 120.450 121.223 -0.054 0.000 2.610 125 L HA 0.152 4.522 4.340 0.050 0.000 0.232 125 L C 0.762 177.590 176.870 -0.071 0.000 1.149 125 L CA 0.537 55.348 54.840 -0.048 0.000 0.872 125 L CB -0.098 41.930 42.059 -0.052 0.000 0.992 125 L HN 0.468 nan 8.230 nan 0.000 0.447 126 G N 0.756 109.505 108.800 -0.085 0.000 2.198 126 G HA2 -0.268 3.722 3.960 0.050 0.000 0.257 126 G HA3 -0.268 3.722 3.960 0.050 0.000 0.257 126 G C -0.002 174.826 174.900 -0.119 0.000 1.042 126 G CA -0.131 44.911 45.100 -0.097 0.000 0.791 126 G HN 0.238 nan 8.290 nan 0.000 0.502 127 L N -0.107 121.034 121.223 -0.137 0.000 2.325 127 L HA 0.475 4.845 4.340 0.050 0.000 0.279 127 L C -1.781 174.986 176.870 -0.171 0.000 1.054 127 L CA -2.401 52.352 54.840 -0.145 0.000 0.804 127 L CB 1.427 43.402 42.059 -0.140 0.000 1.200 127 L HN -0.118 nan 8.230 nan 0.000 0.436 128 P HA 0.231 nan 4.420 nan 0.000 0.269 128 P C -1.064 176.136 177.300 -0.166 0.000 1.215 128 P CA -0.201 62.827 63.100 -0.120 0.000 0.780 128 P CB 0.615 32.238 31.700 -0.128 0.000 0.898 129 R N 1.245 121.667 120.500 -0.130 0.000 2.686 129 R HA 0.722 5.092 4.340 0.050 0.000 0.283 129 R C -0.605 175.699 176.300 0.007 0.000 0.978 129 R CA -0.662 55.273 56.100 -0.273 0.000 0.897 129 R CB 1.944 31.636 30.300 -1.013 0.000 1.192 129 R HN 0.474 nan 8.270 nan 0.000 0.457 130 M N 2.366 121.980 119.600 0.024 0.000 2.518 130 M HA 0.543 5.053 4.480 0.050 0.000 0.300 130 M C -1.621 174.771 176.300 0.152 0.000 1.175 130 M CA -0.934 54.442 55.300 0.127 0.000 0.890 130 M CB 2.212 34.861 32.600 0.082 0.000 1.710 130 M HN 0.379 nan 8.290 nan 0.000 0.453 131 V N 3.479 123.501 119.914 0.180 0.000 2.628 131 V HA 0.657 4.807 4.120 0.050 0.000 0.306 131 V C -1.110 175.047 176.094 0.105 0.000 1.045 131 V CA -0.769 61.620 62.300 0.148 0.000 0.905 131 V CB 1.861 33.761 31.823 0.129 0.000 0.997 131 V HN 0.656 nan 8.190 nan 0.000 0.436 132 V N 5.938 125.899 119.914 0.079 0.000 2.444 132 V HA 0.568 4.717 4.120 0.050 0.000 0.294 132 V C -0.586 175.541 176.094 0.054 0.000 1.022 132 V CA -0.315 62.025 62.300 0.068 0.000 0.850 132 V CB 2.066 33.920 31.823 0.052 0.000 0.992 132 V HN 0.633 nan 8.190 nan 0.000 0.426 133 V N 7.202 127.156 119.914 0.066 0.000 2.406 133 V HA 0.509 4.659 4.120 0.050 0.000 0.272 133 V C 0.724 176.824 176.094 0.010 0.000 1.043 133 V CA 0.301 62.627 62.300 0.044 0.000 0.915 133 V CB 1.347 33.247 31.823 0.128 0.000 0.988 133 V HN 1.068 nan 8.190 nan 0.000 0.466 134 T N 1.222 115.775 114.554 -0.002 0.000 2.919 134 T HA 0.543 4.923 4.350 0.050 0.000 0.282 134 T C 0.191 174.875 174.700 -0.028 0.000 1.020 134 T CA -0.873 61.234 62.100 0.012 0.000 0.994 134 T CB 1.247 70.136 68.868 0.035 0.000 1.180 134 T HN 0.593 nan 8.240 nan 0.000 0.566 135 K N -0.435 119.981 120.400 0.028 0.000 3.088 135 K HA -0.157 4.193 4.320 0.050 0.000 0.273 135 K C 0.728 177.295 176.600 -0.056 0.000 1.111 135 K CA 0.452 56.755 56.287 0.027 0.000 0.803 135 K CB -1.455 31.056 32.500 0.017 0.000 1.226 135 K HN 0.491 nan 8.250 nan 0.000 0.485 136 L N 1.782 122.839 121.223 -0.277 0.000 2.275 136 L HA -0.135 4.234 4.340 0.050 0.000 0.215 136 L C 2.031 178.824 176.870 -0.127 0.000 1.119 136 L CA 2.307 56.889 54.840 -0.430 0.000 0.790 136 L CB -0.213 41.131 42.059 -1.191 0.000 0.919 136 L HN 0.323 nan 8.230 nan 0.000 0.443 137 D N -1.293 119.191 120.400 0.140 0.000 2.312 137 D HA -0.211 4.459 4.640 0.050 0.000 0.211 137 D C 1.521 177.911 176.300 0.151 0.000 0.964 137 D CA 0.730 54.899 54.000 0.282 0.000 0.877 137 D CB -0.185 40.839 40.800 0.374 0.000 0.924 137 D HN 0.381 nan 8.370 nan 0.000 0.515 138 K N 0.206 120.662 120.400 0.092 0.000 2.444 138 K HA 0.287 4.637 4.320 0.050 0.000 0.193 138 K C 0.722 177.350 176.600 0.047 0.000 1.024 138 K CA 0.428 56.753 56.287 0.064 0.000 1.077 138 K CB 0.654 33.182 32.500 0.047 0.000 0.833 138 K HN 0.301 nan 8.250 nan 0.000 0.517 139 G N -0.358 108.469 108.800 0.044 0.000 2.423 139 G HA2 0.291 4.280 3.960 0.050 0.000 0.684 139 G HA3 0.291 4.280 3.960 0.050 0.000 0.684 139 G C -0.486 174.421 174.900 0.012 0.000 1.309 139 G CA -0.792 44.328 45.100 0.035 0.000 0.950 139 G HN 0.408 nan 8.290 nan 0.000 0.587 140 G N -0.729 108.080 108.800 0.016 0.000 2.525 140 G HA2 0.482 4.471 3.960 0.050 0.000 0.685 140 G HA3 0.482 4.471 3.960 0.050 0.000 0.685 140 G C -1.092 173.830 174.900 0.036 0.000 1.285 140 G CA 0.579 45.684 45.100 0.008 0.000 0.849 140 G HN 1.909 nan 8.290 nan 0.000 0.653 141 D N -0.001 120.422 120.400 0.039 0.000 2.427 141 D HA 0.474 5.143 4.640 0.050 0.000 0.226 141 D C 1.000 177.350 176.300 0.082 0.000 1.076 141 D CA -0.715 53.340 54.000 0.090 0.000 0.849 141 D CB 0.731 41.579 40.800 0.080 0.000 1.052 141 D HN 0.399 nan 8.370 nan 0.000 0.515 142 Y N 4.047 124.319 120.300 -0.048 0.000 2.128 142 Y HA -0.283 4.297 4.550 0.049 0.000 0.284 142 Y C 0.998 176.747 175.900 -0.251 0.000 1.154 142 Y CA 1.830 59.795 58.100 -0.224 0.000 1.149 142 Y CB -0.264 37.956 38.460 -0.400 0.000 0.976 142 Y HN 0.554 nan 8.280 nan 0.000 0.505 143 Y N -0.875 119.478 120.300 0.090 0.000 2.224 143 Y HA -0.183 4.396 4.550 0.050 0.000 0.289 143 Y C 2.586 178.486 175.900 -0.000 0.000 1.146 143 Y CA 1.162 59.299 58.100 0.062 0.000 1.182 143 Y CB -0.957 37.593 38.460 0.150 0.000 0.983 143 Y HN 0.195 nan 8.280 nan 0.000 0.524 144 A N -0.344 122.544 122.820 0.113 0.000 1.968 144 A HA -0.107 4.242 4.320 0.050 0.000 0.217 144 A C 2.117 179.671 177.584 -0.049 0.000 1.169 144 A CA 1.219 53.280 52.037 0.039 0.000 0.638 144 A CB -0.876 18.144 19.000 0.035 0.000 0.812 144 A HN 0.416 nan 8.150 nan 0.000 0.446 145 L N -0.021 121.127 121.223 -0.126 0.000 2.046 145 L HA -0.094 4.276 4.340 0.050 0.000 0.208 145 L C 2.211 178.939 176.870 -0.236 0.000 1.077 145 L CA 1.658 56.378 54.840 -0.200 0.000 0.747 145 L CB -0.563 41.329 42.059 -0.278 0.000 0.896 145 L HN 0.393 nan 8.230 nan 0.000 0.432 146 L N -0.655 120.381 121.223 -0.312 0.000 2.042 146 L HA -0.234 4.136 4.340 0.050 0.000 0.210 146 L C 2.556 179.378 176.870 -0.079 0.000 1.076 146 L CA 1.622 56.330 54.840 -0.219 0.000 0.749 146 L CB -0.673 41.285 42.059 -0.169 0.000 0.893 146 L HN 0.389 nan 8.230 nan 0.000 0.432 147 E N -0.015 120.164 120.200 -0.036 0.000 2.077 147 E HA -0.212 4.167 4.350 0.050 0.000 0.193 147 E C 1.747 178.320 176.600 -0.045 0.000 0.989 147 E CA 1.291 57.683 56.400 -0.014 0.000 0.800 147 E CB -0.075 29.631 29.700 0.010 0.000 0.746 147 E HN 0.523 nan 8.360 nan 0.000 0.452 148 D N 0.851 121.209 120.400 -0.070 0.000 2.117 148 D HA -0.133 4.537 4.640 0.050 0.000 0.197 148 D C 2.148 178.380 176.300 -0.113 0.000 0.987 148 D CA 0.800 54.748 54.000 -0.086 0.000 0.829 148 D CB -0.199 40.544 40.800 -0.096 0.000 0.961 148 D HN 0.177 nan 8.370 nan 0.000 0.460 149 L N 0.378 121.522 121.223 -0.132 0.000 2.056 149 L HA -0.146 4.224 4.340 0.050 0.000 0.207 149 L C 2.605 179.406 176.870 -0.116 0.000 1.078 149 L CA 0.756 55.499 54.840 -0.162 0.000 0.749 149 L CB -0.273 41.690 42.059 -0.160 0.000 0.901 149 L HN -0.047 nan 8.230 nan 0.000 0.433 150 R N 0.925 121.388 120.500 -0.061 0.000 2.080 150 R HA -0.188 4.182 4.340 0.050 0.000 0.236 150 R C 2.528 178.810 176.300 -0.029 0.000 1.137 150 R CA 2.228 58.317 56.100 -0.019 0.000 0.943 150 R CB -0.669 29.630 30.300 -0.002 0.000 0.846 150 R HN 0.444 nan 8.270 nan 0.000 0.431 151 S N -1.974 113.699 115.700 -0.044 0.000 2.447 151 S HA -0.058 4.442 4.470 0.050 0.000 0.233 151 S C 1.710 176.272 174.600 -0.064 0.000 1.006 151 S CA 1.354 59.528 58.200 -0.043 0.000 0.957 151 S CB -0.183 62.993 63.200 -0.041 0.000 0.773 151 S HN 0.422 nan 8.310 nan 0.000 0.507 152 T N 1.837 116.328 114.554 -0.106 0.000 3.021 152 T HA 0.365 4.745 4.350 0.050 0.000 0.245 152 T C 1.578 176.150 174.700 -0.213 0.000 1.028 152 T CA 0.661 62.669 62.100 -0.153 0.000 1.139 152 T CB -0.164 68.587 68.868 -0.195 0.000 0.884 152 T HN 0.281 nan 8.240 nan 0.000 0.457 153 L N -0.121 120.945 121.223 -0.262 0.000 2.408 153 L HA 0.386 4.756 4.340 0.050 0.000 0.215 153 L C 1.761 178.652 176.870 0.036 0.000 1.081 153 L CA 0.387 55.024 54.840 -0.340 0.000 0.840 153 L CB -0.350 41.299 42.059 -0.684 0.000 1.002 153 L HN 0.525 nan 8.230 nan 0.000 0.468 154 G N 0.635 109.471 108.800 0.061 0.000 2.846 154 G HA2 -0.185 3.805 3.960 0.050 0.000 0.225 154 G HA3 -0.185 3.805 3.960 0.050 0.000 0.225 154 G C -2.228 172.758 174.900 0.143 0.000 1.285 154 G CA -0.162 45.017 45.100 0.132 0.000 1.055 154 G HN 0.038 nan 8.290 nan 0.000 0.579 155 P HA 0.298 nan 4.420 nan 0.000 0.232 155 P C 0.714 178.054 177.300 0.066 0.000 1.738 155 P CA 0.025 63.139 63.100 0.023 0.000 0.948 155 P CB -1.233 30.402 31.700 -0.109 0.000 1.943 156 I N -1.735 118.942 120.570 0.177 0.000 2.882 156 I HA 0.336 4.535 4.170 0.050 0.000 0.286 156 I C -0.217 175.993 176.117 0.154 0.000 1.139 156 I CA -0.710 60.722 61.300 0.221 0.000 1.379 156 I CB 0.422 38.515 38.000 0.156 0.000 1.410 156 I HN -0.093 nan 8.210 nan 0.000 0.594 157 L N 5.544 126.876 121.223 0.183 0.000 2.471 157 L HA 0.584 4.953 4.340 0.050 0.000 0.263 157 L C -2.649 174.332 176.870 0.186 0.000 0.985 157 L CA -1.579 53.369 54.840 0.179 0.000 0.868 157 L CB 1.487 43.668 42.059 0.203 0.000 1.203 157 L HN 0.418 nan 8.230 nan 0.000 0.429 158 P HA 0.160 nan 4.420 nan 0.000 0.270 158 P C 0.282 177.669 177.300 0.145 0.000 1.242 158 P CA 0.007 63.212 63.100 0.175 0.000 0.768 158 P CB 0.606 32.445 31.700 0.232 0.000 0.820 159 I N 1.334 121.975 120.570 0.119 0.000 2.927 159 I HA 0.129 4.329 4.170 0.050 0.000 0.268 159 I C 0.532 176.696 176.117 0.079 0.000 1.153 159 I CA 1.313 62.664 61.300 0.085 0.000 1.459 159 I CB -0.315 37.734 38.000 0.082 0.000 1.149 159 I HN 0.261 nan 8.210 nan 0.000 0.443 160 D N 0.950 121.393 120.400 0.071 0.000 2.433 160 D HA 0.602 5.272 4.640 0.050 0.000 0.236 160 D C -0.384 175.869 176.300 -0.077 0.000 1.026 160 D CA -0.263 53.750 54.000 0.021 0.000 0.884 160 D CB 3.149 43.957 40.800 0.014 0.000 1.384 160 D HN -0.136 nan 8.370 nan 0.000 0.477 161 L N 1.334 122.467 121.223 -0.149 0.000 2.354 161 L HA 0.456 4.826 4.340 0.050 0.000 0.264 161 L C -2.444 174.244 176.870 -0.303 0.000 1.008 161 L CA -1.989 52.676 54.840 -0.290 0.000 0.819 161 L CB 2.862 44.842 42.059 -0.131 0.000 1.339 161 L HN 0.065 nan 8.230 nan 0.000 0.420 162 P HA 0.151 nan 4.420 nan 0.000 0.284 162 P C -1.080 176.147 177.300 -0.121 0.000 1.253 162 P CA -0.511 62.384 63.100 -0.341 0.000 0.800 162 P CB 1.816 33.047 31.700 -0.783 0.000 0.961 163 L N 5.028 126.244 121.223 -0.011 0.000 2.264 163 L HA 0.397 4.766 4.340 0.050 0.000 0.289 163 L C -1.125 175.743 176.870 -0.004 0.000 1.044 163 L CA -0.553 54.310 54.840 0.038 0.000 0.807 163 L CB -0.284 41.809 42.059 0.058 0.000 1.192 163 L HN 0.215 nan 8.230 nan 0.000 0.425 164 Y N 3.095 123.494 120.300 0.166 0.000 2.409 164 Y HA 0.574 5.154 4.550 0.050 0.000 0.339 164 Y C -0.132 175.826 175.900 0.095 0.000 1.033 164 Y CA -0.613 57.580 58.100 0.154 0.000 1.094 164 Y CB 1.790 40.334 38.460 0.139 0.000 1.210 164 Y HN 0.529 nan 8.280 nan 0.000 0.456 165 E N 0.999 121.356 120.200 0.261 0.000 2.255 165 E HA 0.409 4.789 4.350 0.050 0.000 0.256 165 E C -0.090 176.592 176.600 0.137 0.000 0.887 165 E CA -0.389 56.100 56.400 0.149 0.000 0.782 165 E CB 1.456 31.212 29.700 0.092 0.000 1.214 165 E HN 0.915 nan 8.360 nan 0.000 0.417 166 G N 2.514 111.376 108.800 0.103 0.000 2.323 166 G HA2 -0.268 3.721 3.960 0.050 0.000 0.292 166 G HA3 -0.268 3.721 3.960 0.050 0.000 0.292 166 G C 0.911 175.860 174.900 0.082 0.000 1.040 166 G CA 0.672 45.816 45.100 0.074 0.000 0.942 166 G HN 1.160 nan 8.290 nan 0.000 0.506 167 G N -1.162 107.694 108.800 0.092 0.000 2.205 167 G HA2 -0.295 3.695 3.960 0.050 0.000 0.261 167 G HA3 -0.295 3.695 3.960 0.050 0.000 0.261 167 G C 0.416 175.440 174.900 0.207 0.000 0.980 167 G CA 1.450 46.586 45.100 0.060 0.000 0.632 167 G HN 1.439 nan 8.290 nan 0.000 0.533 168 K N -0.193 120.376 120.400 0.281 0.000 2.185 168 K HA 0.439 4.788 4.320 0.050 0.000 0.269 168 K C -0.263 176.598 176.600 0.434 0.000 0.987 168 K CA -1.244 55.232 56.287 0.316 0.000 0.865 168 K CB 0.593 33.197 32.500 0.174 0.000 1.090 168 K HN 0.103 nan 8.250 nan 0.000 0.450 169 W N 5.939 127.339 121.300 0.166 0.000 2.419 169 W HA 0.176 4.865 4.660 0.049 0.000 0.312 169 W C 0.164 176.638 176.519 -0.075 0.000 1.323 169 W CA -0.468 56.788 57.345 -0.148 0.000 1.293 169 W CB 0.527 29.865 29.460 -0.202 0.000 1.324 169 W HN 0.361 nan 8.180 nan 0.000 0.512 170 V N 4.372 124.142 119.914 -0.240 0.000 3.502 170 V HA 0.711 4.861 4.120 0.050 0.000 0.288 170 V C 0.515 176.438 176.094 -0.286 0.000 1.461 170 V CA 0.638 62.771 62.300 -0.278 0.000 1.029 170 V CB -0.110 31.670 31.823 -0.071 0.000 0.843 170 V HN 0.824 nan 8.190 nan 0.000 0.438 171 G N 1.089 109.688 108.800 -0.336 0.000 2.474 171 G HA2 0.571 4.561 3.960 0.050 0.000 0.234 171 G HA3 0.571 4.561 3.960 0.050 0.000 0.234 171 G C -1.971 173.008 174.900 0.132 0.000 1.204 171 G CA -0.065 45.028 45.100 -0.011 0.000 0.939 171 G HN 0.824 nan 8.290 nan 0.000 0.491 172 L N -1.718 119.640 121.223 0.225 0.000 2.479 172 L HA 0.848 5.218 4.340 0.050 0.000 0.255 172 L C -0.883 176.103 176.870 0.193 0.000 1.026 172 L CA -1.112 53.840 54.840 0.187 0.000 0.842 172 L CB 1.657 43.823 42.059 0.179 0.000 1.444 172 L HN 0.539 nan 8.230 nan 0.000 0.409 173 I N 1.202 121.847 120.570 0.124 0.000 2.355 173 I HA 0.281 4.481 4.170 0.050 0.000 0.288 173 I C -0.651 175.558 176.117 0.154 0.000 0.999 173 I CA -0.293 61.082 61.300 0.126 0.000 1.163 173 I CB 1.612 39.657 38.000 0.076 0.000 1.316 173 I HN 0.704 nan 8.210 nan 0.000 0.454 174 D N 6.718 127.263 120.400 0.241 0.000 2.359 174 D HA 0.061 4.730 4.640 0.050 0.000 0.250 174 D C 1.095 177.507 176.300 0.187 0.000 1.264 174 D CA 0.033 54.184 54.000 0.252 0.000 0.911 174 D CB 1.357 42.397 40.800 0.400 0.000 1.056 174 D HN 0.277 nan 8.370 nan 0.000 0.499 175 V N 5.024 125.019 119.914 0.135 0.000 2.231 175 V HA -0.297 3.853 4.120 0.050 0.000 0.250 175 V C 2.137 178.287 176.094 0.092 0.000 1.058 175 V CA 1.661 64.031 62.300 0.116 0.000 1.022 175 V CB -0.809 31.091 31.823 0.128 0.000 0.640 175 V HN 0.590 nan 8.190 nan 0.000 0.445 176 F N 0.478 120.380 119.950 -0.079 0.000 2.091 176 F HA -0.240 4.317 4.527 0.050 0.000 0.299 176 F C 2.505 178.169 175.800 -0.227 0.000 1.103 176 F CA 2.228 60.097 58.000 -0.219 0.000 1.228 176 F CB -0.354 38.383 39.000 -0.439 0.000 0.984 176 F HN 0.306 nan 8.300 nan 0.000 0.477 177 H N -0.433 118.716 119.070 0.133 0.000 2.548 177 H HA 0.237 4.822 4.556 0.049 0.000 0.265 177 H C 1.836 177.168 175.328 0.007 0.000 0.969 177 H CA 0.726 56.807 56.048 0.056 0.000 1.155 177 H CB -0.574 29.297 29.762 0.182 0.000 1.394 177 H HN 0.361 nan 8.280 nan 0.000 0.570 178 G N 1.665 110.523 108.800 0.096 0.000 2.295 178 G HA2 -0.289 3.701 3.960 0.050 0.000 0.287 178 G HA3 -0.289 3.701 3.960 0.050 0.000 0.287 178 G C -0.100 174.831 174.900 0.053 0.000 1.055 178 G CA 0.281 45.413 45.100 0.054 0.000 0.922 178 G HN 0.349 nan 8.290 nan 0.000 0.503 179 K N -0.692 119.760 120.400 0.087 0.000 2.435 179 K HA 0.808 5.158 4.320 0.050 0.000 0.251 179 K C -0.100 176.442 176.600 -0.096 0.000 0.954 179 K CA -0.249 56.017 56.287 -0.036 0.000 0.820 179 K CB 2.316 34.817 32.500 0.001 0.000 1.292 179 K HN 0.621 nan 8.250 nan 0.000 0.436 180 A N 1.852 124.461 122.820 -0.351 0.000 2.380 180 A HA 0.782 5.132 4.320 0.050 0.000 0.315 180 A C -1.765 175.431 177.584 -0.647 0.000 1.101 180 A CA -0.577 51.303 52.037 -0.261 0.000 0.771 180 A CB 0.724 19.655 19.000 -0.114 0.000 1.287 180 A HN 0.622 nan 8.150 nan 0.000 0.436 181 Y N 0.414 120.708 120.300 -0.010 0.000 2.421 181 Y HA 0.589 5.169 4.550 0.050 0.000 0.339 181 Y C 0.404 176.209 175.900 -0.159 0.000 0.996 181 Y CA -0.704 57.328 58.100 -0.114 0.000 1.046 181 Y CB 1.924 40.314 38.460 -0.116 0.000 1.226 181 Y HN 0.879 nan 8.280 nan 0.000 0.445 182 R N 1.056 121.448 120.500 -0.180 0.000 2.732 182 R HA 0.752 5.122 4.340 0.050 0.000 0.278 182 R C -1.923 174.112 176.300 -0.442 0.000 0.976 182 R CA -0.907 55.096 56.100 -0.161 0.000 0.963 182 R CB 1.619 31.864 30.300 -0.092 0.000 1.150 182 R HN 0.590 nan 8.270 nan 0.000 0.478 183 Y N -0.428 119.809 120.300 -0.104 0.000 2.485 183 Y HA 0.529 5.109 4.550 0.050 0.000 0.345 183 Y C -0.309 175.532 175.900 -0.099 0.000 0.998 183 Y CA -0.851 57.189 58.100 -0.101 0.000 1.059 183 Y CB 2.537 40.905 38.460 -0.153 0.000 1.234 183 Y HN 0.789 nan 8.280 nan 0.000 0.461 184 E N 1.506 121.735 120.200 0.048 0.000 2.478 184 E HA 0.207 4.587 4.350 0.050 0.000 0.293 184 E C -1.160 175.452 176.600 0.019 0.000 1.011 184 E CA -0.538 55.871 56.400 0.015 0.000 0.834 184 E CB 0.742 30.436 29.700 -0.009 0.000 1.226 184 E HN 0.769 nan 8.360 nan 0.000 0.419 185 N N 1.982 120.692 118.700 0.017 0.000 2.725 185 N HA -0.211 4.559 4.740 0.050 0.000 0.249 185 N C 0.381 175.916 175.510 0.041 0.000 1.103 185 N CA 1.553 54.615 53.050 0.021 0.000 0.707 185 N CB -1.388 37.107 38.487 0.014 0.000 1.043 185 N HN 1.025 nan 8.380 nan 0.000 0.553 186 G N 0.265 109.099 108.800 0.057 0.000 2.273 186 G HA2 -0.297 3.693 3.960 0.050 0.000 0.280 186 G HA3 -0.297 3.693 3.960 0.050 0.000 0.280 186 G C -0.216 174.745 174.900 0.101 0.000 1.047 186 G CA 0.973 46.130 45.100 0.094 0.000 0.869 186 G HN 0.935 nan 8.290 nan 0.000 0.502 187 E N -0.847 119.403 120.200 0.084 0.000 2.292 187 E HA 0.623 5.002 4.350 0.050 0.000 0.272 187 E C -0.656 175.911 176.600 -0.056 0.000 0.881 187 E CA -1.157 55.264 56.400 0.034 0.000 0.754 187 E CB 1.809 31.510 29.700 0.003 0.000 1.201 187 E HN 0.225 nan 8.360 nan 0.000 0.425 188 E N 2.694 122.826 120.200 -0.114 0.000 2.200 188 E HA 0.338 4.718 4.350 0.050 0.000 0.283 188 E C -1.076 175.388 176.600 -0.226 0.000 1.015 188 E CA -0.722 55.442 56.400 -0.393 0.000 0.819 188 E CB 0.927 30.483 29.700 -0.240 0.000 1.081 188 E HN 0.328 nan 8.360 nan 0.000 0.397 189 R N 2.304 122.645 120.500 -0.265 0.000 2.628 189 R HA 0.203 4.573 4.340 0.050 0.000 0.288 189 R C -1.204 175.039 176.300 -0.096 0.000 0.980 189 R CA -0.703 55.325 56.100 -0.120 0.000 0.891 189 R CB 1.557 31.787 30.300 -0.116 0.000 1.188 189 R HN 0.603 nan 8.270 nan 0.000 0.450 190 E N 1.646 121.801 120.200 -0.075 0.000 2.373 190 E HA 0.518 4.898 4.350 0.050 0.000 0.267 190 E C -1.051 175.418 176.600 -0.218 0.000 1.032 190 E CA -0.185 56.068 56.400 -0.244 0.000 0.889 190 E CB 0.846 30.425 29.700 -0.202 0.000 0.984 190 E HN 0.602 nan 8.360 nan 0.000 0.425 191 A N 4.084 126.736 122.820 -0.279 0.000 2.485 191 A HA 0.441 4.791 4.320 0.050 0.000 0.292 191 A C -0.960 176.526 177.584 -0.163 0.000 1.147 191 A CA -0.868 51.068 52.037 -0.168 0.000 0.750 191 A CB 1.297 20.223 19.000 -0.123 0.000 1.331 191 A HN 0.665 nan 8.150 nan 0.000 0.419 192 E N 0.223 120.365 120.200 -0.096 0.000 2.349 192 E HA 0.336 4.716 4.350 0.050 0.000 0.265 192 E C -0.497 176.073 176.600 -0.051 0.000 1.064 192 E CA -0.330 56.027 56.400 -0.072 0.000 0.886 192 E CB 1.346 31.021 29.700 -0.042 0.000 1.036 192 E HN 0.322 nan 8.360 nan 0.000 0.413 193 V N 4.563 124.455 119.914 -0.036 0.000 2.439 193 V HA 0.088 4.238 4.120 0.050 0.000 0.271 193 V C -2.050 174.050 176.094 0.011 0.000 1.040 193 V CA -1.475 60.822 62.300 -0.005 0.000 1.002 193 V CB 0.379 32.207 31.823 0.007 0.000 1.000 193 V HN 0.467 nan 8.190 nan 0.000 0.477 194 P HA 0.062 nan 4.420 nan 0.000 0.262 194 P C -1.986 175.332 177.300 0.030 0.000 1.182 194 P CA -0.777 62.343 63.100 0.032 0.000 0.761 194 P CB 0.105 31.838 31.700 0.055 0.000 0.795 195 P HA -0.238 nan 4.420 nan 0.000 0.216 195 P C 0.910 178.223 177.300 0.022 0.000 1.157 195 P CA 1.676 64.786 63.100 0.018 0.000 0.880 195 P CB -0.130 31.578 31.700 0.013 0.000 0.791 196 E N -0.654 119.560 120.200 0.023 0.000 2.409 196 E HA -0.146 4.234 4.350 0.050 0.000 0.198 196 E C 1.562 178.178 176.600 0.027 0.000 1.024 196 E CA 0.865 57.277 56.400 0.020 0.000 0.861 196 E CB -0.721 28.990 29.700 0.017 0.000 0.788 196 E HN 0.427 nan 8.360 nan 0.000 0.521 197 E N 0.302 120.527 120.200 0.042 0.000 2.431 197 E HA 0.115 4.495 4.350 0.050 0.000 0.200 197 E C 1.699 178.339 176.600 0.067 0.000 0.995 197 E CA -0.046 56.389 56.400 0.059 0.000 0.915 197 E CB 0.103 29.854 29.700 0.086 0.000 0.930 197 E HN 0.258 nan 8.360 nan 0.000 0.496 198 R N 1.351 121.882 120.500 0.051 0.000 2.103 198 R HA -0.171 4.199 4.340 0.050 0.000 0.242 198 R C 2.101 178.436 176.300 0.058 0.000 1.142 198 R CA 1.542 57.672 56.100 0.050 0.000 0.960 198 R CB -0.220 30.099 30.300 0.032 0.000 0.858 198 R HN 0.267 nan 8.270 nan 0.000 0.439 199 E N 0.167 120.396 120.200 0.048 0.000 2.051 199 E HA -0.212 4.167 4.350 0.050 0.000 0.192 199 E C 2.157 178.804 176.600 0.077 0.000 0.991 199 E CA 0.928 57.356 56.400 0.047 0.000 0.799 199 E CB -0.147 29.570 29.700 0.029 0.000 0.748 199 E HN 0.260 nan 8.360 nan 0.000 0.449 200 R N 0.937 121.496 120.500 0.099 0.000 2.081 200 R HA -0.122 4.248 4.340 0.050 0.000 0.235 200 R C 2.263 178.754 176.300 0.319 0.000 1.131 200 R CA 1.001 57.212 56.100 0.184 0.000 0.960 200 R CB -0.093 30.301 30.300 0.156 0.000 0.856 200 R HN 0.006 nan 8.270 nan 0.000 0.436 201 V N 1.053 121.105 119.914 0.230 0.000 2.343 201 V HA -0.260 3.889 4.120 0.050 0.000 0.247 201 V C 2.461 178.679 176.094 0.207 0.000 1.051 201 V CA 2.126 64.564 62.300 0.230 0.000 1.036 201 V CB -0.597 31.306 31.823 0.132 0.000 0.654 201 V HN 0.491 nan 8.190 nan 0.000 0.451 202 Q N -0.222 119.656 119.800 0.131 0.000 2.124 202 Q HA -0.219 4.151 4.340 0.050 0.000 0.202 202 Q C 2.477 178.529 176.000 0.087 0.000 0.977 202 Q CA 1.571 57.424 55.803 0.083 0.000 0.850 202 Q CB -0.028 28.738 28.738 0.047 0.000 0.901 202 Q HN 0.536 nan 8.270 nan 0.000 0.429 203 R N -0.756 119.801 120.500 0.096 0.000 2.073 203 R HA -0.129 4.241 4.340 0.050 0.000 0.234 203 R C 2.072 178.375 176.300 0.004 0.000 1.134 203 R CA 1.660 57.772 56.100 0.020 0.000 0.952 203 R CB -0.232 30.049 30.300 -0.032 0.000 0.850 203 R HN 0.270 nan 8.270 nan 0.000 0.433 204 F N 0.374 120.365 119.950 0.068 0.000 2.171 204 F HA -0.158 4.399 4.527 0.050 0.000 0.300 204 F C 2.678 178.515 175.800 0.062 0.000 1.090 204 F CA 1.386 59.436 58.000 0.082 0.000 1.293 204 F CB -0.180 38.894 39.000 0.124 0.000 1.013 204 F HN -0.018 nan 8.300 nan 0.000 0.486 205 R N 0.398 121.029 120.500 0.219 0.000 2.073 205 R HA -0.194 4.176 4.340 0.050 0.000 0.234 205 R C 2.149 178.489 176.300 0.066 0.000 1.134 205 R CA 1.800 57.967 56.100 0.113 0.000 0.952 205 R CB -0.319 29.997 30.300 0.026 0.000 0.850 205 R HN 0.335 nan 8.270 nan 0.000 0.433 206 Q N 0.157 119.981 119.800 0.040 0.000 2.061 206 Q HA -0.203 4.166 4.340 0.050 0.000 0.204 206 Q C 1.994 178.001 176.000 0.011 0.000 0.984 206 Q CA 2.031 57.843 55.803 0.015 0.000 0.846 206 Q CB -0.069 28.673 28.738 0.007 0.000 0.902 206 Q HN 0.524 nan 8.270 nan 0.000 0.421 207 E N -0.022 120.181 120.200 0.005 0.000 2.153 207 E HA -0.161 4.219 4.350 0.050 0.000 0.194 207 E C 2.073 178.694 176.600 0.035 0.000 0.988 207 E CA 1.144 57.540 56.400 -0.006 0.000 0.811 207 E CB 0.018 29.683 29.700 -0.057 0.000 0.746 207 E HN 0.128 nan 8.360 nan 0.000 0.466 208 V N 1.404 121.368 119.914 0.083 0.000 2.307 208 V HA -0.231 3.918 4.120 0.050 0.000 0.245 208 V C 2.264 178.407 176.094 0.081 0.000 1.045 208 V CA 1.345 63.708 62.300 0.105 0.000 1.024 208 V CB -0.338 31.576 31.823 0.153 0.000 0.651 208 V HN 0.262 nan 8.190 nan 0.000 0.449 209 L N -0.329 120.940 121.223 0.077 0.000 2.017 209 L HA -0.217 4.152 4.340 0.050 0.000 0.208 209 L C 2.592 179.440 176.870 -0.037 0.000 1.073 209 L CA 1.874 56.744 54.840 0.049 0.000 0.745 209 L CB -0.689 41.384 42.059 0.024 0.000 0.894 209 L HN 0.407 nan 8.230 nan 0.000 0.432 210 E N 0.162 120.327 120.200 -0.058 0.000 2.077 210 E HA -0.209 4.171 4.350 0.050 0.000 0.193 210 E C 2.296 178.859 176.600 -0.061 0.000 0.989 210 E CA 1.119 57.457 56.400 -0.102 0.000 0.800 210 E CB -0.198 29.460 29.700 -0.069 0.000 0.746 210 E HN 0.503 nan 8.360 nan 0.000 0.452 211 A N 1.190 124.001 122.820 -0.016 0.000 1.933 211 A HA -0.168 4.182 4.320 0.050 0.000 0.218 211 A C 2.163 179.751 177.584 0.007 0.000 1.175 211 A CA 1.100 53.138 52.037 0.001 0.000 0.628 211 A CB -0.504 18.513 19.000 0.029 0.000 0.814 211 A HN 0.134 nan 8.150 nan 0.000 0.444 212 I N -0.772 119.812 120.570 0.024 0.000 2.233 212 I HA -0.157 4.043 4.170 0.050 0.000 0.243 212 I C 2.303 178.422 176.117 0.003 0.000 1.093 212 I CA 0.808 62.134 61.300 0.044 0.000 1.380 212 I CB -0.304 37.742 38.000 0.077 0.000 1.067 212 I HN 0.128 nan 8.210 nan 0.000 0.413 213 V N 0.906 120.794 119.914 -0.045 0.000 2.332 213 V HA -0.289 3.861 4.120 0.050 0.000 0.248 213 V C 2.237 178.300 176.094 -0.052 0.000 1.055 213 V CA 1.904 64.157 62.300 -0.079 0.000 1.038 213 V CB -0.704 30.981 31.823 -0.230 0.000 0.651 213 V HN 0.446 nan 8.190 nan 0.000 0.450 214 E N 0.123 120.293 120.200 -0.051 0.000 2.333 214 E HA -0.162 4.218 4.350 0.050 0.000 0.198 214 E C 2.063 178.653 176.600 -0.017 0.000 1.007 214 E CA 1.505 57.888 56.400 -0.027 0.000 0.845 214 E CB -0.143 29.542 29.700 -0.026 0.000 0.766 214 E HN 0.829 nan 8.360 nan 0.000 0.507 215 T N -2.154 112.390 114.554 -0.017 0.000 3.086 215 T HA 0.009 4.388 4.350 0.050 0.000 0.250 215 T C 0.362 175.054 174.700 -0.013 0.000 1.074 215 T CA -0.204 61.883 62.100 -0.021 0.000 0.988 215 T CB 0.374 69.222 68.868 -0.033 0.000 0.988 215 T HN -0.145 nan 8.240 nan 0.000 0.530 216 D N 0.837 121.235 120.400 -0.002 0.000 2.471 216 D HA 0.220 4.889 4.640 0.050 0.000 0.245 216 D C 0.475 176.784 176.300 0.015 0.000 1.116 216 D CA -0.249 53.755 54.000 0.007 0.000 0.853 216 D CB 1.840 42.650 40.800 0.016 0.000 1.123 216 D HN 0.229 nan 8.370 nan 0.000 0.540 217 E N 1.890 122.099 120.200 0.014 0.000 2.118 217 E HA -0.151 4.229 4.350 0.050 0.000 0.195 217 E C 1.858 178.476 176.600 0.030 0.000 0.992 217 E CA 1.119 57.531 56.400 0.021 0.000 0.804 217 E CB 0.171 29.880 29.700 0.015 0.000 0.741 217 E HN 0.652 nan 8.360 nan 0.000 0.458 218 G N 1.240 110.058 108.800 0.029 0.000 2.446 218 G HA2 -0.245 3.745 3.960 0.050 0.000 0.217 218 G HA3 -0.245 3.745 3.960 0.050 0.000 0.217 218 G C 1.558 176.487 174.900 0.048 0.000 1.168 218 G CA 0.494 45.615 45.100 0.035 0.000 0.771 218 G HN 0.100 nan 8.290 nan 0.000 0.551 219 L N -0.200 121.052 121.223 0.049 0.000 2.093 219 L HA 0.092 4.462 4.340 0.050 0.000 0.208 219 L C 2.852 179.776 176.870 0.091 0.000 1.085 219 L CA 0.316 55.194 54.840 0.064 0.000 0.755 219 L CB -0.309 41.775 42.059 0.042 0.000 0.904 219 L HN 0.183 nan 8.230 nan 0.000 0.435 220 L N -0.371 120.895 121.223 0.072 0.000 2.131 220 L HA -0.206 4.164 4.340 0.050 0.000 0.210 220 L C 2.495 179.435 176.870 0.117 0.000 1.092 220 L CA 1.201 56.102 54.840 0.101 0.000 0.759 220 L CB -0.176 41.921 42.059 0.064 0.000 0.903 220 L HN 0.331 nan 8.230 nan 0.000 0.435 221 E N -0.292 119.957 120.200 0.082 0.000 2.072 221 E HA -0.213 4.166 4.350 0.050 0.000 0.190 221 E C 2.140 178.784 176.600 0.072 0.000 0.982 221 E CA 0.971 57.410 56.400 0.065 0.000 0.803 221 E CB 0.119 29.846 29.700 0.045 0.000 0.755 221 E HN 0.432 nan 8.360 nan 0.000 0.453 222 K N 0.173 120.626 120.400 0.088 0.000 2.001 222 K HA -0.169 4.180 4.320 0.050 0.000 0.208 222 K C 2.133 178.804 176.600 0.118 0.000 1.048 222 K CA 1.153 57.493 56.287 0.089 0.000 0.932 222 K CB -0.316 32.240 32.500 0.094 0.000 0.715 222 K HN 0.092 nan 8.250 nan 0.000 0.437 223 Y N 1.733 122.046 120.300 0.022 0.000 2.256 223 Y HA -0.203 4.377 4.550 0.050 0.000 0.288 223 Y C 1.617 177.526 175.900 0.016 0.000 1.155 223 Y CA 1.365 59.477 58.100 0.021 0.000 1.203 223 Y CB -0.010 38.464 38.460 0.024 0.000 0.980 223 Y HN -0.019 nan 8.280 nan 0.000 0.530 224 L N -1.102 120.151 121.223 0.050 0.000 2.168 224 L HA -0.053 4.317 4.340 0.050 0.000 0.203 224 L C 2.186 179.032 176.870 -0.039 0.000 1.078 224 L CA 0.900 55.724 54.840 -0.026 0.000 0.780 224 L CB -0.499 41.583 42.059 0.038 0.000 0.939 224 L HN 0.043 nan 8.230 nan 0.000 0.451 225 E N 0.164 120.361 120.200 -0.004 0.000 2.204 225 E HA -0.138 4.242 4.350 0.050 0.000 0.195 225 E C 1.557 178.143 176.600 -0.024 0.000 0.990 225 E CA 0.907 57.302 56.400 -0.007 0.000 0.821 225 E CB 0.006 29.712 29.700 0.011 0.000 0.750 225 E HN 0.627 nan 8.360 nan 0.000 0.477 226 G N 0.770 109.546 108.800 -0.040 0.000 2.316 226 G HA2 -0.223 3.767 3.960 0.050 0.000 0.203 226 G HA3 -0.223 3.767 3.960 0.050 0.000 0.203 226 G C 0.051 174.939 174.900 -0.019 0.000 0.999 226 G CA -0.071 44.998 45.100 -0.051 0.000 0.649 226 G HN 0.250 nan 8.290 nan 0.000 0.489 227 E N 1.478 121.682 120.200 0.008 0.000 2.492 227 E HA 0.312 4.691 4.350 0.050 0.000 0.266 227 E C 0.669 177.297 176.600 0.047 0.000 1.187 227 E CA 0.834 57.250 56.400 0.028 0.000 1.036 227 E CB 0.215 29.937 29.700 0.037 0.000 0.994 227 E HN 0.738 nan 8.360 nan 0.000 0.468 228 E N -0.424 119.807 120.200 0.051 0.000 2.266 228 E HA 0.311 4.691 4.350 0.050 0.000 0.277 228 E C -1.000 175.650 176.600 0.084 0.000 1.018 228 E CA -0.707 55.733 56.400 0.067 0.000 0.840 228 E CB 1.177 30.909 29.700 0.053 0.000 1.082 228 E HN 0.045 nan 8.360 nan 0.000 0.395 229 V N 3.598 123.575 119.914 0.106 0.000 2.348 229 V HA 0.157 4.307 4.120 0.050 0.000 0.270 229 V C 0.539 176.690 176.094 0.095 0.000 1.037 229 V CA -0.482 61.881 62.300 0.105 0.000 0.872 229 V CB 0.550 32.447 31.823 0.124 0.000 1.002 229 V HN 0.899 nan 8.190 nan 0.000 0.464 230 T N 2.149 116.754 114.554 0.084 0.000 2.868 230 T HA 0.328 4.708 4.350 0.050 0.000 0.292 230 T C 1.541 176.303 174.700 0.104 0.000 1.028 230 T CA 0.144 62.294 62.100 0.085 0.000 1.059 230 T CB 1.558 70.467 68.868 0.069 0.000 0.991 230 T HN 0.663 nan 8.240 nan 0.000 0.531 231 G N 0.128 109.000 108.800 0.120 0.000 2.432 231 G HA2 -0.121 3.869 3.960 0.050 0.000 0.219 231 G HA3 -0.121 3.869 3.960 0.050 0.000 0.219 231 G C 1.283 176.246 174.900 0.104 0.000 1.135 231 G CA 0.412 45.607 45.100 0.158 0.000 0.767 231 G HN 0.877 nan 8.290 nan 0.000 0.550 232 E N 0.562 120.810 120.200 0.081 0.000 2.150 232 E HA 0.003 4.383 4.350 0.050 0.000 0.193 232 E C 2.891 179.523 176.600 0.054 0.000 0.985 232 E CA 0.628 57.063 56.400 0.058 0.000 0.814 232 E CB -0.127 29.602 29.700 0.049 0.000 0.752 232 E HN 0.424 nan 8.360 nan 0.000 0.466 233 A N 1.329 124.186 122.820 0.062 0.000 1.898 233 A HA -0.129 4.221 4.320 0.050 0.000 0.216 233 A C 2.192 179.814 177.584 0.063 0.000 1.181 233 A CA 0.911 52.984 52.037 0.059 0.000 0.620 233 A CB -0.545 18.493 19.000 0.063 0.000 0.819 233 A HN 0.117 nan 8.150 nan 0.000 0.442 234 L N -0.667 120.595 121.223 0.066 0.000 2.056 234 L HA -0.199 4.171 4.340 0.050 0.000 0.207 234 L C 2.639 179.532 176.870 0.039 0.000 1.078 234 L CA 1.578 56.449 54.840 0.052 0.000 0.749 234 L CB -0.555 41.543 42.059 0.065 0.000 0.901 234 L HN 0.484 nan 8.230 nan 0.000 0.433 235 E N 0.147 120.357 120.200 0.016 0.000 2.058 235 E HA -0.256 4.123 4.350 0.050 0.000 0.194 235 E C 2.185 178.872 176.600 0.145 0.000 0.997 235 E CA 1.295 57.728 56.400 0.054 0.000 0.801 235 E CB -0.038 29.676 29.700 0.024 0.000 0.746 235 E HN 0.433 nan 8.360 nan 0.000 0.450 236 K N 0.551 121.006 120.400 0.092 0.000 2.026 236 K HA -0.130 4.220 4.320 0.050 0.000 0.208 236 K C 2.247 178.914 176.600 0.113 0.000 1.048 236 K CA 1.137 57.479 56.287 0.091 0.000 0.929 236 K CB -0.183 32.350 32.500 0.056 0.000 0.713 236 K HN 0.056 nan 8.250 nan 0.000 0.439 237 A N 1.344 124.223 122.820 0.098 0.000 1.877 237 A HA -0.196 4.153 4.320 0.050 0.000 0.216 237 A C 2.020 179.665 177.584 0.101 0.000 1.186 237 A CA 1.331 53.416 52.037 0.080 0.000 0.620 237 A CB -0.748 18.293 19.000 0.068 0.000 0.822 237 A HN 0.367 nan 8.150 nan 0.000 0.443 238 F N 0.397 120.339 119.950 -0.014 0.000 2.069 238 F HA -0.247 4.309 4.527 0.050 0.000 0.298 238 F C 2.182 177.984 175.800 0.004 0.000 1.113 238 F CA 2.463 60.447 58.000 -0.027 0.000 1.214 238 F CB -0.946 38.013 39.000 -0.067 0.000 0.978 238 F HN 0.480 nan 8.300 nan 0.000 0.474 239 H N 0.153 119.100 119.070 -0.206 0.000 2.319 239 H HA -0.146 4.439 4.556 0.049 0.000 0.297 239 H C 2.214 177.401 175.328 -0.235 0.000 1.097 239 H CA 2.390 58.267 56.048 -0.286 0.000 1.285 239 H CB -0.264 29.450 29.762 -0.080 0.000 1.368 239 H HN 0.246 nan 8.280 nan 0.000 0.495 240 E N 0.146 120.297 120.200 -0.081 0.000 2.077 240 E HA -0.143 4.237 4.350 0.050 0.000 0.193 240 E C 2.425 178.921 176.600 -0.174 0.000 0.989 240 E CA 0.967 57.301 56.400 -0.110 0.000 0.800 240 E CB -0.619 29.069 29.700 -0.020 0.000 0.746 240 E HN 0.619 nan 8.360 nan 0.000 0.452 241 A N 0.921 123.638 122.820 -0.172 0.000 1.902 241 A HA -0.143 4.207 4.320 0.050 0.000 0.217 241 A C 2.618 180.049 177.584 -0.256 0.000 1.181 241 A CA 1.594 53.525 52.037 -0.176 0.000 0.623 241 A CB -0.673 18.253 19.000 -0.123 0.000 0.818 241 A HN 0.144 nan 8.150 nan 0.000 0.443 242 V N 0.162 119.843 119.914 -0.389 0.000 2.343 242 V HA -0.253 3.897 4.120 0.050 0.000 0.247 242 V C 2.617 178.531 176.094 -0.300 0.000 1.051 242 V CA 2.204 64.277 62.300 -0.378 0.000 1.036 242 V CB -0.898 30.598 31.823 -0.545 0.000 0.654 242 V HN 0.680 nan 8.190 nan 0.000 0.451 243 R N 0.494 120.781 120.500 -0.354 0.000 2.105 243 R HA -0.161 4.209 4.340 0.050 0.000 0.239 243 R C 2.271 178.459 176.300 -0.187 0.000 1.135 243 R CA 1.667 57.598 56.100 -0.282 0.000 0.967 243 R CB -0.135 29.987 30.300 -0.296 0.000 0.861 243 R HN 0.430 nan 8.270 nan 0.000 0.442 244 R N -0.847 119.552 120.500 -0.168 0.000 2.310 244 R HA 0.100 4.470 4.340 0.050 0.000 0.202 244 R C 0.761 176.994 176.300 -0.111 0.000 0.933 244 R CA 0.517 56.543 56.100 -0.124 0.000 1.054 244 R CB 0.486 30.722 30.300 -0.106 0.000 0.985 244 R HN 0.510 nan 8.270 nan 0.000 0.489 245 G N 1.231 109.957 108.800 -0.124 0.000 2.176 245 G HA2 -0.260 3.730 3.960 0.050 0.000 0.252 245 G HA3 -0.260 3.730 3.960 0.050 0.000 0.252 245 G C 0.527 175.306 174.900 -0.202 0.000 1.024 245 G CA 0.044 45.096 45.100 -0.079 0.000 0.755 245 G HN 0.316 nan 8.290 nan 0.000 0.507 246 L N -1.471 119.606 121.223 -0.244 0.000 2.477 246 L HA 0.441 4.810 4.340 0.050 0.000 0.220 246 L C 1.191 177.833 176.870 -0.380 0.000 1.106 246 L CA 0.551 55.236 54.840 -0.257 0.000 0.851 246 L CB 0.050 42.016 42.059 -0.154 0.000 0.994 246 L HN 0.240 nan 8.230 nan 0.000 0.462 247 L N -1.523 119.434 121.223 -0.444 0.000 2.409 247 L HA 0.397 4.767 4.340 0.050 0.000 0.262 247 L C -1.515 175.131 176.870 -0.373 0.000 0.992 247 L CA -0.617 53.994 54.840 -0.381 0.000 0.817 247 L CB 2.368 44.355 42.059 -0.120 0.000 1.350 247 L HN -0.149 nan 8.230 nan 0.000 0.411 248 Y N 1.527 121.890 120.300 0.106 0.000 2.426 248 Y HA 0.342 4.922 4.550 0.050 0.000 0.325 248 Y C -2.315 173.680 175.900 0.157 0.000 0.989 248 Y CA -2.460 55.725 58.100 0.141 0.000 1.284 248 Y CB 1.409 40.043 38.460 0.289 0.000 1.104 248 Y HN 0.291 nan 8.280 nan 0.000 0.481 249 P HA 0.004 nan 4.420 nan 0.000 0.268 249 P C -0.689 176.748 177.300 0.229 0.000 1.205 249 P CA -0.001 63.266 63.100 0.278 0.000 0.771 249 P CB 0.978 32.868 31.700 0.316 0.000 0.858 250 V N 2.850 122.879 119.914 0.191 0.000 2.349 250 V HA 0.592 4.742 4.120 0.050 0.000 0.284 250 V C 0.332 176.515 176.094 0.149 0.000 1.014 250 V CA -0.535 61.856 62.300 0.152 0.000 0.826 250 V CB 0.915 32.803 31.823 0.109 0.000 1.009 250 V HN 0.649 nan 8.190 nan 0.000 0.431 251 A N 4.881 127.781 122.820 0.132 0.000 2.281 251 A HA 0.964 5.314 4.320 0.050 0.000 0.329 251 A C -1.098 176.551 177.584 0.108 0.000 1.122 251 A CA -0.634 51.470 52.037 0.111 0.000 0.850 251 A CB 1.480 20.533 19.000 0.088 0.000 1.207 251 A HN 0.732 nan 8.150 nan 0.000 0.495 252 L N 0.523 121.789 121.223 0.072 0.000 2.349 252 L HA 0.811 5.181 4.340 0.050 0.000 0.278 252 L C -0.156 176.773 176.870 0.098 0.000 0.996 252 L CA 0.191 55.059 54.840 0.047 0.000 0.825 252 L CB 1.134 43.133 42.059 -0.099 0.000 1.243 252 L HN 1.238 nan 8.230 nan 0.000 0.412 253 A N 2.953 125.849 122.820 0.127 0.000 2.612 253 A HA 0.833 5.182 4.320 0.050 0.000 0.293 253 A C -1.416 176.268 177.584 0.165 0.000 1.075 253 A CA -0.274 51.828 52.037 0.108 0.000 0.680 253 A CB 1.793 20.800 19.000 0.012 0.000 1.279 253 A HN 0.731 nan 8.150 nan 0.000 0.411 254 S N -0.195 115.563 115.700 0.096 0.000 2.668 254 S HA 0.539 5.039 4.470 0.050 0.000 0.277 254 S C 0.813 175.401 174.600 -0.019 0.000 1.170 254 S CA 0.352 58.611 58.200 0.098 0.000 0.994 254 S CB 1.140 64.483 63.200 0.238 0.000 1.051 254 S HN 1.945 nan 8.310 nan 0.000 0.484 255 G N 2.750 111.548 108.800 -0.004 0.000 2.464 255 G HA2 -0.044 3.945 3.960 0.050 0.000 0.217 255 G HA3 -0.044 3.945 3.960 0.050 0.000 0.217 255 G C 1.029 175.911 174.900 -0.030 0.000 1.138 255 G CA 0.682 45.767 45.100 -0.024 0.000 0.793 255 G HN 0.671 nan 8.290 nan 0.000 0.539 256 E N 0.515 120.709 120.200 -0.009 0.000 2.046 256 E HA 0.006 4.386 4.350 0.050 0.000 0.190 256 E C 2.501 179.081 176.600 -0.034 0.000 0.982 256 E CA 0.684 57.078 56.400 -0.010 0.000 0.800 256 E CB 0.026 29.739 29.700 0.022 0.000 0.756 256 E HN 0.079 nan 8.360 nan 0.000 0.449 257 R N 0.654 121.123 120.500 -0.052 0.000 2.299 257 R HA 0.075 4.445 4.340 0.050 0.000 0.197 257 R C -0.139 176.039 176.300 -0.203 0.000 0.971 257 R CA 0.545 56.564 56.100 -0.135 0.000 1.030 257 R CB -0.381 29.781 30.300 -0.231 0.000 0.932 257 R HN 0.303 nan 8.270 nan 0.000 0.477 258 E N 0.554 120.649 120.200 -0.175 0.000 2.320 258 E HA -0.204 4.175 4.350 0.050 0.000 0.234 258 E C -0.708 175.651 176.600 -0.402 0.000 1.183 258 E CA 0.396 56.685 56.400 -0.185 0.000 0.713 258 E CB -1.781 27.871 29.700 -0.081 0.000 1.226 258 E HN 0.324 nan 8.360 nan 0.000 0.382 259 I N -0.016 120.210 120.570 -0.572 0.000 2.433 259 I HA 0.371 4.571 4.170 0.050 0.000 0.292 259 I C 1.443 177.104 176.117 -0.761 0.000 1.001 259 I CA 0.024 60.693 61.300 -1.052 0.000 1.119 259 I CB 1.824 39.178 38.000 -1.077 0.000 1.289 259 I HN 0.281 nan 8.210 nan 0.000 0.438 260 G N 3.988 112.188 108.800 -1.000 0.000 2.258 260 G HA2 -0.227 3.763 3.960 0.050 0.000 0.274 260 G HA3 -0.227 3.763 3.960 0.050 0.000 0.274 260 G C 0.653 175.432 174.900 -0.201 0.000 1.021 260 G CA 0.578 45.465 45.100 -0.354 0.000 0.798 260 G HN 0.477 nan 8.290 nan 0.000 0.507 261 V N 0.121 119.904 119.914 -0.218 0.000 2.244 261 V HA -0.119 4.031 4.120 0.050 0.000 0.244 261 V C 2.896 178.902 176.094 -0.148 0.000 1.042 261 V CA 2.223 64.439 62.300 -0.141 0.000 1.006 261 V CB -0.532 31.222 31.823 -0.114 0.000 0.641 261 V HN 0.469 nan 8.190 nan 0.000 0.446 262 L N -0.333 120.799 121.223 -0.152 0.000 2.141 262 L HA -0.099 4.271 4.340 0.050 0.000 0.209 262 L C -0.122 176.641 176.870 -0.178 0.000 1.094 262 L CA 1.455 56.144 54.840 -0.253 0.000 0.763 262 L CB -1.655 40.286 42.059 -0.197 0.000 0.908 262 L HN 0.360 nan 8.230 nan 0.000 0.437 263 P HA -0.187 nan 4.420 nan 0.000 0.218 263 P C 1.715 178.991 177.300 -0.040 0.000 1.149 263 P CA 1.012 64.078 63.100 -0.057 0.000 0.817 263 P CB 0.094 31.764 31.700 -0.052 0.000 0.785 264 L N -1.084 120.104 121.223 -0.058 0.000 2.093 264 L HA -0.092 4.277 4.340 0.050 0.000 0.208 264 L C 1.986 178.829 176.870 -0.045 0.000 1.085 264 L CA 1.713 56.533 54.840 -0.032 0.000 0.755 264 L CB -1.432 40.604 42.059 -0.038 0.000 0.904 264 L HN -0.120 nan 8.230 nan 0.000 0.435 265 L N -0.309 120.843 121.223 -0.118 0.000 2.056 265 L HA -0.132 4.238 4.340 0.050 0.000 0.207 265 L C 2.404 179.246 176.870 -0.046 0.000 1.078 265 L CA 1.691 56.445 54.840 -0.144 0.000 0.749 265 L CB -0.668 41.169 42.059 -0.370 0.000 0.901 265 L HN 0.378 nan 8.230 nan 0.000 0.433 266 E N -0.870 119.322 120.200 -0.014 0.000 2.110 266 E HA -0.256 4.124 4.350 0.050 0.000 0.193 266 E C 2.088 178.735 176.600 0.078 0.000 0.988 266 E CA 1.346 57.804 56.400 0.097 0.000 0.804 266 E CB -0.276 29.498 29.700 0.123 0.000 0.745 266 E HN 0.374 nan 8.360 nan 0.000 0.458 267 L N 1.021 122.283 121.223 0.066 0.000 2.093 267 L HA -0.113 4.257 4.340 0.050 0.000 0.208 267 L C 1.988 178.926 176.870 0.114 0.000 1.085 267 L CA 1.345 56.248 54.840 0.105 0.000 0.755 267 L CB -0.140 41.979 42.059 0.100 0.000 0.904 267 L HN 0.103 nan 8.230 nan 0.000 0.435 268 I N -0.994 119.618 120.570 0.070 0.000 2.208 268 I HA -0.341 3.858 4.170 0.050 0.000 0.245 268 I C 2.331 178.492 176.117 0.074 0.000 1.097 268 I CA 1.455 62.792 61.300 0.061 0.000 1.363 268 I CB -0.305 37.713 38.000 0.030 0.000 1.051 268 I HN 0.278 nan 8.210 nan 0.000 0.413 269 L N 0.135 121.396 121.223 0.064 0.000 2.093 269 L HA -0.207 4.163 4.340 0.050 0.000 0.208 269 L C 2.558 179.466 176.870 0.065 0.000 1.085 269 L CA 1.230 56.094 54.840 0.040 0.000 0.755 269 L CB -0.456 41.587 42.059 -0.026 0.000 0.904 269 L HN 0.221 nan 8.230 nan 0.000 0.435 270 E N 0.234 120.497 120.200 0.105 0.000 2.112 270 E HA -0.117 4.263 4.350 0.050 0.000 0.190 270 E C 2.001 178.793 176.600 0.320 0.000 0.979 270 E CA 1.347 57.849 56.400 0.170 0.000 0.814 270 E CB 0.072 29.881 29.700 0.183 0.000 0.762 270 E HN 0.346 nan 8.360 nan 0.000 0.460 271 A N 0.247 123.220 122.820 0.255 0.000 1.911 271 A HA 0.231 4.581 4.320 0.050 0.000 0.212 271 A C 0.880 178.397 177.584 -0.111 0.000 1.189 271 A CA 0.138 52.203 52.037 0.046 0.000 0.639 271 A CB -0.226 18.827 19.000 0.088 0.000 0.839 271 A HN 0.207 nan 8.150 nan 0.000 0.449 272 L N 1.472 122.690 121.223 -0.008 0.000 2.395 272 L HA 0.299 4.669 4.340 0.050 0.000 0.269 272 L C -2.170 174.698 176.870 -0.004 0.000 1.133 272 L CA -2.101 52.704 54.840 -0.057 0.000 0.812 272 L CB 0.576 42.632 42.059 -0.006 0.000 1.125 272 L HN 0.163 nan 8.230 nan 0.000 0.452 273 P HA 0.095 nan 4.420 nan 0.000 0.274 273 P C -0.741 176.615 177.300 0.094 0.000 1.231 273 P CA -0.433 62.664 63.100 -0.005 0.000 0.790 273 P CB 1.358 33.000 31.700 -0.097 0.000 0.951 274 S N 1.593 117.379 115.700 0.143 0.000 2.652 274 S HA 0.354 4.853 4.470 0.050 0.000 0.270 274 S C -1.810 172.884 174.600 0.157 0.000 1.243 274 S CA -1.246 57.044 58.200 0.149 0.000 0.999 274 S CB 0.275 63.564 63.200 0.147 0.000 0.973 274 S HN 0.233 nan 8.310 nan 0.000 0.544 275 P HA -0.031 nan 4.420 nan 0.000 0.216 275 P C 1.340 178.808 177.300 0.280 0.000 1.150 275 P CA 1.315 64.590 63.100 0.291 0.000 0.837 275 P CB -0.293 31.561 31.700 0.256 0.000 0.786 276 T N -0.292 114.376 114.554 0.191 0.000 2.746 276 T HA -0.148 4.232 4.350 0.050 0.000 0.267 276 T C 1.517 176.285 174.700 0.113 0.000 1.039 276 T CA 1.274 63.466 62.100 0.153 0.000 1.142 276 T CB -0.726 68.212 68.868 0.116 0.000 0.866 276 T HN 0.340 nan 8.240 nan 0.000 0.444 277 E N 0.244 120.500 120.200 0.094 0.000 2.409 277 E HA -0.051 4.329 4.350 0.050 0.000 0.198 277 E C 2.287 178.875 176.600 -0.020 0.000 1.024 277 E CA 0.465 56.894 56.400 0.048 0.000 0.861 277 E CB 0.072 29.815 29.700 0.072 0.000 0.788 277 E HN 0.332 nan 8.360 nan 0.000 0.521 278 R N -0.590 119.889 120.500 -0.036 0.000 2.121 278 R HA 0.056 4.426 4.340 0.050 0.000 0.206 278 R C 1.204 177.273 176.300 -0.384 0.000 1.094 278 R CA 0.485 56.439 56.100 -0.244 0.000 1.055 278 R CB 0.235 30.337 30.300 -0.329 0.000 0.964 278 R HN 0.079 nan 8.270 nan 0.000 0.473 279 F N 0.202 120.166 119.950 0.022 0.000 2.717 279 F HA 0.387 4.944 4.527 0.050 0.000 0.295 279 F C 1.168 176.982 175.800 0.022 0.000 1.117 279 F CA 0.644 58.653 58.000 0.016 0.000 1.361 279 F CB 0.795 39.821 39.000 0.042 0.000 1.112 279 F HN 0.335 nan 8.300 nan 0.000 0.594 280 G N 0.536 109.444 108.800 0.180 0.000 2.725 280 G HA2 -0.202 3.788 3.960 0.050 0.000 0.220 280 G HA3 -0.202 3.788 3.960 0.050 0.000 0.220 280 G C -1.049 173.931 174.900 0.134 0.000 1.357 280 G CA -0.623 44.549 45.100 0.120 0.000 0.866 280 G HN 0.108 nan 8.290 nan 0.000 0.548 281 D N 0.346 120.801 120.400 0.092 0.000 2.326 281 D HA 0.703 5.373 4.640 0.050 0.000 0.251 281 D C 0.756 177.098 176.300 0.069 0.000 1.023 281 D CA 1.251 55.298 54.000 0.078 0.000 0.966 281 D CB 1.457 42.292 40.800 0.058 0.000 1.156 281 D HN 1.581 nan 8.370 nan 0.000 0.494 282 G N 0.607 109.441 108.800 0.057 0.000 2.343 282 G HA2 0.130 4.120 3.960 0.050 0.000 0.289 282 G HA3 0.130 4.120 3.960 0.050 0.000 0.289 282 G C -2.936 171.991 174.900 0.045 0.000 1.295 282 G CA -0.822 44.308 45.100 0.051 0.000 0.869 282 G HN 0.337 nan 8.290 nan 0.000 0.522 283 P HA 0.354 nan 4.420 nan 0.000 0.272 283 P C -2.719 174.615 177.300 0.057 0.000 1.230 283 P CA -0.898 62.233 63.100 0.052 0.000 0.788 283 P CB -0.065 31.677 31.700 0.069 0.000 0.949 284 P HA 0.035 nan 4.420 nan 0.000 0.261 284 P C -0.582 176.772 177.300 0.092 0.000 1.173 284 P CA 0.675 63.798 63.100 0.038 0.000 0.760 284 P CB 0.087 31.793 31.700 0.009 0.000 0.783 285 L N 3.616 124.881 121.223 0.070 0.000 2.470 285 L HA 0.788 5.157 4.340 0.050 0.000 0.268 285 L C -1.074 175.869 176.870 0.122 0.000 0.964 285 L CA -0.537 54.376 54.840 0.120 0.000 0.839 285 L CB 1.498 43.586 42.059 0.049 0.000 1.276 285 L HN 0.472 nan 8.230 nan 0.000 0.403 286 A N 4.378 127.306 122.820 0.179 0.000 2.583 286 A HA 0.918 5.268 4.320 0.050 0.000 0.289 286 A C -1.529 176.186 177.584 0.219 0.000 1.151 286 A CA -0.696 51.409 52.037 0.113 0.000 0.695 286 A CB 1.840 20.849 19.000 0.016 0.000 1.290 286 A HN 0.637 nan 8.150 nan 0.000 0.419 287 K N 0.167 120.659 120.400 0.154 0.000 2.557 287 K HA 0.529 4.878 4.320 0.050 0.000 0.261 287 K C -1.889 174.830 176.600 0.200 0.000 0.932 287 K CA -0.561 55.873 56.287 0.245 0.000 0.829 287 K CB 2.157 34.911 32.500 0.423 0.000 1.358 287 K HN 0.500 nan 8.250 nan 0.000 0.430 288 V N 6.335 126.352 119.914 0.172 0.000 2.387 288 V HA 0.124 4.273 4.120 0.050 0.000 0.260 288 V C 0.649 176.832 176.094 0.149 0.000 1.054 288 V CA -0.059 62.302 62.300 0.100 0.000 0.967 288 V CB -0.256 31.606 31.823 0.065 0.000 1.036 288 V HN 0.746 nan 8.190 nan 0.000 0.481 289 F N 3.532 123.537 119.950 0.092 0.000 2.754 289 F HA 0.433 4.992 4.527 0.053 0.000 0.297 289 F C 0.624 176.459 175.800 0.058 0.000 1.122 289 F CA -0.479 57.565 58.000 0.072 0.000 1.400 289 F CB 0.009 39.041 39.000 0.053 0.000 1.117 289 F HN 0.446 nan 8.300 nan 0.000 0.587 290 K N -0.326 119.806 120.400 -0.447 0.000 2.607 290 K HA 0.693 5.043 4.320 0.050 0.000 0.287 290 K C -2.132 174.364 176.600 -0.174 0.000 0.996 290 K CA -1.010 55.101 56.287 -0.293 0.000 0.876 290 K CB 2.365 34.625 32.500 -0.399 0.000 1.496 290 K HN -0.130 nan 8.250 nan 0.000 0.415 291 V N 1.345 121.219 119.914 -0.066 0.000 2.760 291 V HA 0.398 4.547 4.120 0.050 0.000 0.309 291 V C -1.246 174.880 176.094 0.053 0.000 1.077 291 V CA -0.719 61.614 62.300 0.055 0.000 0.910 291 V CB 1.980 33.834 31.823 0.051 0.000 1.008 291 V HN 0.691 nan 8.190 nan 0.000 0.424 292 Q N 2.445 122.344 119.800 0.165 0.000 2.337 292 Q HA 0.637 5.006 4.340 0.050 0.000 0.266 292 Q C -1.183 174.915 176.000 0.163 0.000 1.023 292 Q CA -0.537 55.361 55.803 0.159 0.000 0.829 292 Q CB 2.679 31.568 28.738 0.251 0.000 1.306 292 Q HN 0.522 nan 8.270 nan 0.000 0.449 293 V N 2.629 122.643 119.914 0.167 0.000 2.305 293 V HA 0.108 4.257 4.120 0.050 0.000 0.275 293 V C -0.381 175.852 176.094 0.233 0.000 1.020 293 V CA -0.845 61.544 62.300 0.148 0.000 0.811 293 V CB 1.452 33.322 31.823 0.077 0.000 1.031 293 V HN 0.666 nan 8.190 nan 0.000 0.439 294 D N 6.084 126.593 120.400 0.181 0.000 2.389 294 D HA 0.232 4.902 4.640 0.050 0.000 0.247 294 D C -1.375 175.020 176.300 0.157 0.000 1.128 294 D CA -1.252 52.862 54.000 0.191 0.000 0.884 294 D CB 1.894 42.796 40.800 0.169 0.000 1.194 294 D HN 0.216 nan 8.370 nan 0.000 0.441 295 P HA -0.109 nan 4.420 nan 0.000 0.217 295 P C 0.242 177.281 177.300 -0.435 0.000 1.148 295 P CA 1.303 64.302 63.100 -0.169 0.000 0.828 295 P CB 0.099 31.519 31.700 -0.466 0.000 0.783 296 F N -3.183 116.820 119.950 0.088 0.000 2.490 296 F HA 0.305 4.834 4.527 0.004 0.000 0.280 296 F C 2.404 178.221 175.800 0.027 0.000 1.030 296 F CA 0.163 58.192 58.000 0.048 0.000 1.367 296 F CB -0.865 38.154 39.000 0.031 0.000 1.131 296 F HN -0.284 nan 8.300 nan 0.000 0.632 297 M N 0.440 120.169 119.600 0.215 0.000 2.476 297 M HA 0.230 4.740 4.480 0.050 0.000 0.262 297 M C 0.984 177.316 176.300 0.053 0.000 1.079 297 M CA 1.352 56.713 55.300 0.102 0.000 1.104 297 M CB -0.257 32.383 32.600 0.068 0.000 1.409 297 M HN 0.331 nan 8.290 nan 0.000 0.467 298 G N 0.691 109.524 108.800 0.054 0.000 2.587 298 G HA2 -0.278 3.712 3.960 0.050 0.000 0.212 298 G HA3 -0.278 3.712 3.960 0.050 0.000 0.212 298 G C -0.846 174.067 174.900 0.023 0.000 1.327 298 G CA -0.283 44.828 45.100 0.019 0.000 0.898 298 G HN 0.556 nan 8.290 nan 0.000 0.551 299 Q N -0.748 119.051 119.800 -0.001 0.000 2.286 299 Q HA 0.560 4.930 4.340 0.050 0.000 0.257 299 Q C -0.442 175.553 176.000 -0.008 0.000 0.941 299 Q CA -0.548 55.256 55.803 0.003 0.000 0.912 299 Q CB 1.147 29.869 28.738 -0.027 0.000 1.192 299 Q HN 0.730 nan 8.270 nan 0.000 0.410 300 V N 3.116 123.045 119.914 0.024 0.000 2.487 300 V HA 0.651 4.801 4.120 0.050 0.000 0.298 300 V C -0.619 175.463 176.094 -0.020 0.000 1.028 300 V CA -0.765 61.511 62.300 -0.039 0.000 0.860 300 V CB 1.479 33.275 31.823 -0.046 0.000 0.991 300 V HN 0.890 nan 8.190 nan 0.000 0.427 301 A N 4.636 127.385 122.820 -0.118 0.000 2.290 301 A HA 0.779 5.129 4.320 0.050 0.000 0.310 301 A C -1.124 176.324 177.584 -0.227 0.000 1.202 301 A CA -0.332 51.658 52.037 -0.078 0.000 0.837 301 A CB 0.351 19.304 19.000 -0.078 0.000 1.139 301 A HN 0.766 nan 8.150 nan 0.000 0.509 302 Y N 2.601 122.757 120.300 -0.241 0.000 2.353 302 Y HA 0.478 5.057 4.550 0.047 0.000 0.340 302 Y C 0.100 175.803 175.900 -0.329 0.000 0.972 302 Y CA -0.269 57.632 58.100 -0.332 0.000 1.157 302 Y CB 1.104 39.181 38.460 -0.637 0.000 1.157 302 Y HN 0.465 nan 8.280 nan 0.000 0.495 303 L N 3.920 125.149 121.223 0.011 0.000 2.334 303 L HA 0.663 5.033 4.340 0.050 0.000 0.273 303 L C -0.330 176.655 176.870 0.192 0.000 1.013 303 L CA -1.298 53.602 54.840 0.100 0.000 0.816 303 L CB 1.872 43.941 42.059 0.017 0.000 1.278 303 L HN 0.456 nan 8.230 nan 0.000 0.431 304 R N 2.453 123.014 120.500 0.101 0.000 2.338 304 R HA 0.500 4.870 4.340 0.050 0.000 0.317 304 R C -1.411 174.642 176.300 -0.412 0.000 0.968 304 R CA -0.485 55.488 56.100 -0.213 0.000 0.849 304 R CB 1.186 31.173 30.300 -0.522 0.000 1.128 304 R HN 0.501 nan 8.270 nan 0.000 0.448 305 L N 6.168 127.206 121.223 -0.308 0.000 2.259 305 L HA 0.326 4.695 4.340 0.050 0.000 0.288 305 L C -0.586 176.115 176.870 -0.281 0.000 1.051 305 L CA 0.053 54.751 54.840 -0.236 0.000 0.824 305 L CB 0.482 42.467 42.059 -0.123 0.000 1.206 305 L HN 0.771 nan 8.230 nan 0.000 0.429 306 Y N 3.849 124.001 120.300 -0.247 0.000 2.395 306 Y HA 0.186 4.766 4.550 0.050 0.000 0.293 306 Y C 1.249 176.892 175.900 -0.428 0.000 1.123 306 Y CA 0.469 58.247 58.100 -0.535 0.000 1.227 306 Y CB 0.080 37.826 38.460 -1.189 0.000 1.012 306 Y HN 0.572 nan 8.280 nan 0.000 0.552 307 R N -0.946 119.494 120.500 -0.100 0.000 2.664 307 R HA 0.488 4.858 4.340 0.050 0.000 0.266 307 R C -0.669 175.626 176.300 -0.008 0.000 1.046 307 R CA 0.145 56.231 56.100 -0.024 0.000 0.885 307 R CB 1.413 31.706 30.300 -0.012 0.000 1.254 307 R HN 0.270 nan 8.270 nan 0.000 0.465 308 G N 2.135 110.940 108.800 0.008 0.000 2.631 308 G HA2 -0.132 3.857 3.960 0.050 0.000 0.504 308 G HA3 -0.132 3.857 3.960 0.050 0.000 0.504 308 G C -1.452 173.425 174.900 -0.039 0.000 1.306 308 G CA -0.698 44.397 45.100 -0.007 0.000 0.897 308 G HN 0.596 nan 8.290 nan 0.000 0.520 309 R N -1.219 119.247 120.500 -0.055 0.000 2.807 309 R HA 0.805 5.175 4.340 0.050 0.000 0.276 309 R C -0.637 175.598 176.300 -0.108 0.000 0.979 309 R CA -0.866 55.175 56.100 -0.097 0.000 0.928 309 R CB 1.879 32.131 30.300 -0.080 0.000 1.191 309 R HN 0.508 nan 8.270 nan 0.000 0.471 310 L N 1.375 122.507 121.223 -0.152 0.000 2.434 310 L HA 0.579 4.949 4.340 0.050 0.000 0.260 310 L C -0.712 176.067 176.870 -0.152 0.000 0.983 310 L CA -0.891 53.866 54.840 -0.139 0.000 0.820 310 L CB 2.515 44.490 42.059 -0.140 0.000 1.361 310 L HN 0.421 nan 8.230 nan 0.000 0.410 311 K N 1.639 121.964 120.400 -0.125 0.000 2.400 311 K HA 0.560 4.910 4.320 0.050 0.000 0.246 311 K C -2.686 173.838 176.600 -0.126 0.000 0.995 311 K CA -1.966 54.248 56.287 -0.121 0.000 0.840 311 K CB 2.226 34.667 32.500 -0.098 0.000 1.293 311 K HN 0.171 nan 8.250 nan 0.000 0.445 312 P HA -0.019 nan 4.420 nan 0.000 0.265 312 P C 0.470 177.676 177.300 -0.156 0.000 1.193 312 P CA 0.953 63.951 63.100 -0.170 0.000 0.765 312 P CB 0.452 32.040 31.700 -0.187 0.000 0.823 313 G N 1.789 110.491 108.800 -0.164 0.000 2.232 313 G HA2 -0.180 3.810 3.960 0.050 0.000 0.226 313 G HA3 -0.180 3.810 3.960 0.050 0.000 0.226 313 G C 0.119 174.957 174.900 -0.104 0.000 0.996 313 G CA -0.299 44.721 45.100 -0.133 0.000 0.626 313 G HN 0.487 nan 8.290 nan 0.000 0.509 314 D N 0.821 121.159 120.400 -0.103 0.000 2.363 314 D HA 0.635 5.305 4.640 0.050 0.000 0.240 314 D C 0.511 176.757 176.300 -0.091 0.000 1.236 314 D CA 0.718 54.664 54.000 -0.090 0.000 0.927 314 D CB 1.166 41.913 40.800 -0.090 0.000 1.150 314 D HN 0.216 nan 8.370 nan 0.000 0.458 315 S N -0.602 115.044 115.700 -0.090 0.000 2.595 315 S HA 0.705 5.205 4.470 0.050 0.000 0.281 315 S C -0.683 173.844 174.600 -0.123 0.000 1.117 315 S CA -0.721 57.418 58.200 -0.101 0.000 0.873 315 S CB 1.347 64.489 63.200 -0.096 0.000 1.108 315 S HN 0.226 nan 8.310 nan 0.000 0.477 316 L N 1.619 122.747 121.223 -0.159 0.000 2.388 316 L HA 0.530 4.900 4.340 0.050 0.000 0.264 316 L C -0.515 176.144 176.870 -0.351 0.000 0.998 316 L CA -0.905 53.797 54.840 -0.230 0.000 0.817 316 L CB 1.840 43.786 42.059 -0.188 0.000 1.338 316 L HN 0.421 nan 8.230 nan 0.000 0.414 317 Q N 1.323 120.756 119.800 -0.612 0.000 2.260 317 Q HA 0.586 4.956 4.340 0.050 0.000 0.242 317 Q C -0.550 174.778 176.000 -1.121 0.000 0.932 317 Q CA -0.079 55.227 55.803 -0.828 0.000 0.891 317 Q CB 2.105 30.212 28.738 -1.051 0.000 1.222 317 Q HN 0.783 nan 8.270 nan 0.000 0.453 318 S N 0.026 115.279 115.700 -0.745 0.000 2.615 318 S HA 0.313 4.813 4.470 0.050 0.000 0.269 318 S C 0.284 174.820 174.600 -0.106 0.000 1.161 318 S CA -0.726 57.205 58.200 -0.448 0.000 0.817 318 S CB 0.985 64.074 63.200 -0.184 0.000 1.131 318 S HN 0.417 nan 8.310 nan 0.000 0.467 319 E N 0.745 121.022 120.200 0.129 0.000 2.267 319 E HA -0.039 4.341 4.350 0.050 0.000 0.197 319 E C 1.657 178.309 176.600 0.087 0.000 0.998 319 E CA 1.442 57.942 56.400 0.168 0.000 0.830 319 E CB -0.479 29.330 29.700 0.181 0.000 0.751 319 E HN 0.760 nan 8.360 nan 0.000 0.491 320 A N 0.259 123.111 122.820 0.053 0.000 2.307 320 A HA 0.450 4.800 4.320 0.050 0.000 0.218 320 A C 1.008 178.592 177.584 -0.000 0.000 1.228 320 A CA 0.808 52.870 52.037 0.041 0.000 0.857 320 A CB -0.027 19.010 19.000 0.061 0.000 0.897 320 A HN 0.231 nan 8.150 nan 0.000 0.495 321 G N -0.741 108.040 108.800 -0.032 0.000 2.549 321 G HA2 -0.086 3.903 3.960 0.050 0.000 0.404 321 G HA3 -0.086 3.903 3.960 0.050 0.000 0.404 321 G C -0.277 174.556 174.900 -0.111 0.000 1.292 321 G CA -0.247 44.819 45.100 -0.057 0.000 0.935 321 G HN 0.797 nan 8.290 nan 0.000 0.512 322 Q N -0.684 119.054 119.800 -0.104 0.000 2.300 322 Q HA 0.404 4.773 4.340 0.050 0.000 0.280 322 Q C -0.245 175.690 176.000 -0.109 0.000 1.033 322 Q CA -0.073 55.655 55.803 -0.125 0.000 0.903 322 Q CB 0.612 29.294 28.738 -0.093 0.000 1.195 322 Q HN 0.775 nan 8.270 nan 0.000 0.386 323 V N 6.318 126.154 119.914 -0.130 0.000 2.326 323 V HA 0.358 4.508 4.120 0.050 0.000 0.281 323 V C 0.004 176.043 176.094 -0.091 0.000 1.015 323 V CA -0.555 61.684 62.300 -0.102 0.000 0.823 323 V CB 1.118 32.875 31.823 -0.110 0.000 1.009 323 V HN 0.792 nan 8.190 nan 0.000 0.436 324 R N 4.258 124.716 120.500 -0.070 0.000 2.490 324 R HA 0.606 4.976 4.340 0.050 0.000 0.278 324 R C -0.674 175.591 176.300 -0.058 0.000 1.069 324 R CA -0.398 55.662 56.100 -0.067 0.000 1.080 324 R CB 0.997 31.264 30.300 -0.056 0.000 1.030 324 R HN 0.593 nan 8.270 nan 0.000 0.491 325 L N 4.803 125.982 121.223 -0.073 0.000 2.594 325 L HA 0.260 4.629 4.340 0.050 0.000 0.245 325 L C -1.606 175.193 176.870 -0.118 0.000 1.460 325 L CA -1.342 53.456 54.840 -0.070 0.000 0.865 325 L CB 1.643 43.657 42.059 -0.076 0.000 1.131 325 L HN 0.448 nan 8.230 nan 0.000 0.506 326 P HA -0.136 nan 4.420 nan 0.000 0.221 326 P C -0.001 176.960 177.300 -0.566 0.000 1.145 326 P CA 1.325 64.244 63.100 -0.302 0.000 0.795 326 P CB 0.256 31.805 31.700 -0.251 0.000 0.775 327 H N -0.655 118.332 119.070 -0.138 0.000 2.782 327 H HA 0.394 4.980 4.556 0.051 0.000 0.347 327 H C -0.203 174.845 175.328 -0.468 0.000 1.038 327 H CA -0.793 55.059 56.048 -0.325 0.000 1.255 327 H CB 1.726 31.283 29.762 -0.341 0.000 1.623 327 H HN -0.043 nan 8.280 nan 0.000 0.525 328 L N 3.997 124.985 121.223 -0.391 0.000 2.282 328 L HA 0.362 4.732 4.340 0.050 0.000 0.288 328 L C -0.897 175.726 176.870 -0.412 0.000 1.033 328 L CA -0.686 53.979 54.840 -0.292 0.000 0.807 328 L CB 0.570 42.534 42.059 -0.158 0.000 1.209 328 L HN 0.441 nan 8.230 nan 0.000 0.423 329 Y N 1.867 122.200 120.300 0.054 0.000 2.425 329 Y HA 0.505 5.087 4.550 0.054 0.000 0.344 329 Y C -0.099 175.852 175.900 0.085 0.000 0.969 329 Y CA -0.913 57.220 58.100 0.055 0.000 1.052 329 Y CB 2.147 40.607 38.460 -0.001 0.000 1.215 329 Y HN 0.135 nan 8.280 nan 0.000 0.451 330 V N 5.245 125.332 119.914 0.288 0.000 2.427 330 V HA 0.457 4.607 4.120 0.050 0.000 0.286 330 V C -2.355 173.863 176.094 0.207 0.000 1.034 330 V CA -2.265 60.201 62.300 0.276 0.000 0.893 330 V CB 1.704 33.724 31.823 0.327 0.000 0.982 330 V HN 0.542 nan 8.190 nan 0.000 0.452 331 P HA 0.448 nan 4.420 nan 0.000 0.282 331 P C -0.734 176.669 177.300 0.171 0.000 1.249 331 P CA -0.546 62.655 63.100 0.169 0.000 0.806 331 P CB 0.706 32.559 31.700 0.254 0.000 0.984 332 M N 2.783 122.453 119.600 0.116 0.000 1.988 332 M HA 0.464 4.974 4.480 0.050 0.000 0.243 332 M C 0.189 176.526 176.300 0.063 0.000 0.897 332 M CA 0.252 55.604 55.300 0.086 0.000 0.935 332 M CB 0.090 32.718 32.600 0.047 0.000 1.956 332 M HN 0.685 nan 8.290 nan 0.000 0.389 333 G N 3.965 112.833 108.800 0.115 0.000 2.514 333 G HA2 -0.353 3.636 3.960 0.050 0.000 0.265 333 G HA3 -0.353 3.636 3.960 0.050 0.000 0.265 333 G C 0.152 175.005 174.900 -0.078 0.000 1.150 333 G CA 0.431 45.591 45.100 0.101 0.000 0.959 333 G HN 0.879 nan 8.290 nan 0.000 0.556 334 K N 0.703 120.772 120.400 -0.552 0.000 2.426 334 K HA 0.251 4.600 4.320 0.050 0.000 0.193 334 K C -0.143 176.298 176.600 -0.265 0.000 1.028 334 K CA 0.775 56.643 56.287 -0.700 0.000 1.047 334 K CB 0.208 31.972 32.500 -1.227 0.000 0.821 334 K HN 0.368 nan 8.250 nan 0.000 0.513 335 D N 1.627 121.928 120.400 -0.165 0.000 2.264 335 D HA 0.241 4.911 4.640 0.050 0.000 0.249 335 D C -0.545 175.722 176.300 -0.055 0.000 1.070 335 D CA -0.219 53.722 54.000 -0.098 0.000 0.912 335 D CB 1.395 42.157 40.800 -0.064 0.000 1.193 335 D HN 0.073 nan 8.370 nan 0.000 0.427 336 L N 2.203 123.375 121.223 -0.086 0.000 2.294 336 L HA 0.356 4.726 4.340 0.050 0.000 0.283 336 L C -0.468 176.438 176.870 0.059 0.000 1.015 336 L CA -0.635 54.163 54.840 -0.070 0.000 0.831 336 L CB 0.883 42.740 42.059 -0.337 0.000 1.217 336 L HN 0.105 nan 8.230 nan 0.000 0.420 337 L N 3.274 124.593 121.223 0.159 0.000 2.264 337 L HA 0.398 4.768 4.340 0.050 0.000 0.289 337 L C 0.309 177.340 176.870 0.270 0.000 1.044 337 L CA -0.453 54.496 54.840 0.182 0.000 0.807 337 L CB 1.462 43.592 42.059 0.119 0.000 1.192 337 L HN 0.587 nan 8.230 nan 0.000 0.425 338 E N 3.252 123.609 120.200 0.261 0.000 2.360 338 E HA 0.370 4.749 4.350 0.050 0.000 0.269 338 E C -0.770 175.867 176.600 0.060 0.000 1.022 338 E CA -0.544 55.916 56.400 0.101 0.000 0.887 338 E CB 1.131 30.859 29.700 0.047 0.000 0.990 338 E HN 0.435 nan 8.360 nan 0.000 0.426 339 V N 1.131 121.056 119.914 0.018 0.000 3.074 339 V HA 0.416 4.566 4.120 0.050 0.000 0.314 339 V C 0.083 176.170 176.094 -0.011 0.000 1.117 339 V CA -0.707 61.630 62.300 0.060 0.000 1.014 339 V CB 1.891 33.819 31.823 0.174 0.000 1.057 339 V HN 0.797 nan 8.190 nan 0.000 0.438 340 E N 0.280 120.478 120.200 -0.004 0.000 2.474 340 E HA 0.316 4.696 4.350 0.050 0.000 0.195 340 E C 0.241 176.796 176.600 -0.075 0.000 1.039 340 E CA 0.384 56.760 56.400 -0.040 0.000 0.881 340 E CB 0.547 30.234 29.700 -0.022 0.000 0.970 340 E HN 0.828 nan 8.360 nan 0.000 0.486 341 E N -0.581 119.560 120.200 -0.098 0.000 2.396 341 E HA 0.607 4.987 4.350 0.050 0.000 0.280 341 E C -1.930 174.437 176.600 -0.388 0.000 1.065 341 E CA -0.817 55.472 56.400 -0.186 0.000 0.831 341 E CB 1.420 31.033 29.700 -0.146 0.000 1.272 341 E HN -0.000 nan 8.360 nan 0.000 0.443 342 A N 2.441 124.942 122.820 -0.531 0.000 2.422 342 A HA 0.667 5.017 4.320 0.050 0.000 0.302 342 A C -1.174 175.964 177.584 -0.743 0.000 1.041 342 A CA -0.587 50.817 52.037 -1.054 0.000 0.708 342 A CB 1.566 20.182 19.000 -0.639 0.000 1.257 342 A HN 0.555 nan 8.150 nan 0.000 0.414 343 E N 0.772 120.450 120.200 -0.870 0.000 2.320 343 E HA 0.643 5.023 4.350 0.050 0.000 0.264 343 E C -0.042 176.529 176.600 -0.047 0.000 0.923 343 E CA -1.105 55.142 56.400 -0.255 0.000 0.796 343 E CB 2.072 31.734 29.700 -0.064 0.000 1.262 343 E HN 0.943 nan 8.360 nan 0.000 0.428 344 A N 0.385 123.214 122.820 0.015 0.000 2.561 344 A HA 0.362 4.712 4.320 0.050 0.000 0.234 344 A C 1.151 178.808 177.584 0.121 0.000 1.055 344 A CA 1.196 53.260 52.037 0.046 0.000 0.756 344 A CB -0.649 18.392 19.000 0.068 0.000 0.986 344 A HN 0.863 nan 8.150 nan 0.000 0.505 345 G N 0.817 109.646 108.800 0.047 0.000 2.284 345 G HA2 -0.192 3.798 3.960 0.050 0.000 0.216 345 G HA3 -0.192 3.798 3.960 0.050 0.000 0.216 345 G C 0.147 174.882 174.900 -0.275 0.000 1.009 345 G CA 0.076 45.192 45.100 0.026 0.000 0.625 345 G HN 0.723 nan 8.290 nan 0.000 0.501 346 F N 1.151 120.761 119.950 -0.567 0.000 2.553 346 F HA 0.511 5.066 4.527 0.048 0.000 0.356 346 F C 0.927 176.261 175.800 -0.778 0.000 1.142 346 F CA 0.049 57.394 58.000 -1.090 0.000 1.322 346 F CB 1.372 40.059 39.000 -0.523 0.000 1.126 346 F HN 0.019 nan 8.300 nan 0.000 0.599 347 V N 5.480 124.958 119.914 -0.726 0.000 2.448 347 V HA 0.426 4.576 4.120 0.050 0.000 0.295 347 V C -0.191 175.927 176.094 0.041 0.000 1.025 347 V CA -0.763 61.462 62.300 -0.126 0.000 0.859 347 V CB 1.569 33.450 31.823 0.096 0.000 0.988 347 V HN 0.476 nan 8.190 nan 0.000 0.431 348 L N 3.647 124.918 121.223 0.080 0.000 2.333 348 L HA 0.847 5.217 4.340 0.050 0.000 0.269 348 L C 0.532 177.382 176.870 -0.034 0.000 1.010 348 L CA -0.629 54.254 54.840 0.072 0.000 0.818 348 L CB 2.097 44.185 42.059 0.048 0.000 1.306 348 L HN 0.716 nan 8.230 nan 0.000 0.430 349 G N 0.928 109.692 108.800 -0.060 0.000 2.487 349 G HA2 0.565 4.554 3.960 0.050 0.000 0.314 349 G HA3 0.565 4.554 3.960 0.050 0.000 0.314 349 G C -1.055 173.779 174.900 -0.110 0.000 1.267 349 G CA -0.281 44.642 45.100 -0.295 0.000 0.937 349 G HN 0.256 nan 8.290 nan 0.000 0.481 350 V N 5.551 125.365 119.914 -0.165 0.000 2.313 350 V HA 0.378 4.528 4.120 0.050 0.000 0.278 350 V C -1.765 174.276 176.094 -0.087 0.000 1.017 350 V CA -1.573 60.698 62.300 -0.048 0.000 0.823 350 V CB 1.569 33.364 31.823 -0.048 0.000 1.010 350 V HN 0.666 nan 8.190 nan 0.000 0.443 351 P HA 0.202 nan 4.420 nan 0.000 0.274 351 P C -0.215 177.058 177.300 -0.044 0.000 1.246 351 P CA -0.370 62.674 63.100 -0.094 0.000 0.795 351 P CB 0.573 32.182 31.700 -0.152 0.000 1.006 352 K N -0.674 119.700 120.400 -0.043 0.000 3.077 352 K HA -0.185 4.165 4.320 0.050 0.000 0.264 352 K C 0.530 177.107 176.600 -0.039 0.000 1.008 352 K CA 0.614 56.883 56.287 -0.030 0.000 0.740 352 K CB -2.302 30.190 32.500 -0.013 0.000 1.273 352 K HN 0.585 nan 8.250 nan 0.000 0.477 353 A N 0.475 123.262 122.820 -0.055 0.000 2.579 353 A HA 0.127 4.476 4.320 0.050 0.000 0.273 353 A C 1.249 178.764 177.584 -0.114 0.000 1.363 353 A CA -0.081 51.908 52.037 -0.079 0.000 0.953 353 A CB 0.005 18.953 19.000 -0.086 0.000 1.034 353 A HN 0.328 nan 8.150 nan 0.000 0.536 354 E N 0.083 120.229 120.200 -0.089 0.000 2.233 354 E HA -0.173 4.206 4.350 0.050 0.000 0.199 354 E C 1.919 178.419 176.600 -0.167 0.000 1.004 354 E CA 1.616 57.957 56.400 -0.098 0.000 0.819 354 E CB -0.241 29.430 29.700 -0.048 0.000 0.738 354 E HN 0.589 nan 8.360 nan 0.000 0.478 355 G N -0.841 107.865 108.800 -0.156 0.000 2.880 355 G HA2 0.099 4.089 3.960 0.050 0.000 0.209 355 G HA3 0.099 4.089 3.960 0.050 0.000 0.209 355 G C 0.197 174.893 174.900 -0.340 0.000 1.157 355 G CA -0.232 44.770 45.100 -0.162 0.000 0.779 355 G HN 0.084 nan 8.290 nan 0.000 0.539 356 L N 1.349 122.335 121.223 -0.395 0.000 2.282 356 L HA 0.508 4.878 4.340 0.050 0.000 0.288 356 L C -0.516 176.066 176.870 -0.480 0.000 1.033 356 L CA -0.970 53.678 54.840 -0.319 0.000 0.807 356 L CB 1.396 43.371 42.059 -0.141 0.000 1.209 356 L HN 0.141 nan 8.230 nan 0.000 0.423 357 H N 0.862 119.954 119.070 0.036 0.000 2.731 357 H HA 0.419 5.005 4.556 0.050 0.000 0.368 357 H C -0.490 174.873 175.328 0.057 0.000 1.168 357 H CA -1.049 55.025 56.048 0.044 0.000 1.181 357 H CB 1.179 30.969 29.762 0.047 0.000 1.743 357 H HN 0.401 nan 8.280 nan 0.000 0.547 358 R N 0.838 121.445 120.500 0.179 0.000 2.504 358 R HA 0.185 4.555 4.340 0.050 0.000 0.291 358 R C 0.529 176.926 176.300 0.162 0.000 0.974 358 R CA 1.462 57.640 56.100 0.131 0.000 1.077 358 R CB -0.513 29.848 30.300 0.103 0.000 0.926 358 R HN 1.072 nan 8.270 nan 0.000 0.407 359 G N 3.448 112.352 108.800 0.174 0.000 2.232 359 G HA2 -0.268 3.722 3.960 0.050 0.000 0.226 359 G HA3 -0.268 3.722 3.960 0.050 0.000 0.226 359 G C 0.211 175.248 174.900 0.230 0.000 0.996 359 G CA -0.007 45.222 45.100 0.216 0.000 0.626 359 G HN 0.554 nan 8.290 nan 0.000 0.509 360 M N 1.588 121.312 119.600 0.206 0.000 2.238 360 M HA 0.421 4.931 4.480 0.050 0.000 0.350 360 M C 0.516 176.952 176.300 0.227 0.000 1.321 360 M CA 0.170 55.595 55.300 0.208 0.000 1.097 360 M CB 1.255 33.965 32.600 0.183 0.000 1.713 360 M HN -0.016 nan 8.290 nan 0.000 0.455 361 V N 5.048 125.130 119.914 0.281 0.000 2.539 361 V HA 0.456 4.605 4.120 0.050 0.000 0.292 361 V C 0.025 176.363 176.094 0.406 0.000 1.045 361 V CA -0.773 61.732 62.300 0.341 0.000 0.945 361 V CB 1.626 33.650 31.823 0.336 0.000 0.993 361 V HN 0.589 nan 8.190 nan 0.000 0.464 362 L N 3.852 125.273 121.223 0.331 0.000 2.354 362 L HA 0.730 5.100 4.340 0.050 0.000 0.269 362 L C -0.651 176.385 176.870 0.276 0.000 1.005 362 L CA -0.238 54.678 54.840 0.126 0.000 0.819 362 L CB 1.823 43.884 42.059 0.003 0.000 1.311 362 L HN 1.064 nan 8.230 nan 0.000 0.423 363 W N 1.706 123.017 121.300 0.018 0.000 2.937 363 W HA 0.635 5.325 4.660 0.051 0.000 0.360 363 W C -1.906 174.614 176.519 0.002 0.000 1.215 363 W CA -0.724 56.628 57.345 0.011 0.000 1.183 363 W CB 1.125 30.596 29.460 0.017 0.000 1.458 363 W HN 0.440 nan 8.180 nan 0.000 0.574 364 Q N 1.347 121.284 119.800 0.228 0.000 2.397 364 Q HA 0.555 4.925 4.340 0.050 0.000 0.275 364 Q C 0.265 176.440 176.000 0.292 0.000 1.090 364 Q CA -0.170 55.714 55.803 0.136 0.000 0.809 364 Q CB 2.465 31.231 28.738 0.047 0.000 1.362 364 Q HN 1.225 nan 8.270 nan 0.000 0.431 365 G N 1.817 110.761 108.800 0.241 0.000 2.512 365 G HA2 -0.291 3.698 3.960 0.050 0.000 0.240 365 G HA3 -0.291 3.698 3.960 0.050 0.000 0.240 365 G C -0.578 174.461 174.900 0.231 0.000 1.246 365 G CA -0.001 45.214 45.100 0.192 0.000 0.919 365 G HN 0.812 nan 8.290 nan 0.000 0.577 366 E N 0.881 121.139 120.200 0.096 0.000 2.414 366 E HA 0.416 4.796 4.350 0.050 0.000 0.263 366 E C 0.463 176.938 176.600 -0.209 0.000 1.000 366 E CA 0.109 56.502 56.400 -0.011 0.000 0.914 366 E CB 0.849 30.526 29.700 -0.038 0.000 0.948 366 E HN 0.683 nan 8.360 nan 0.000 0.444 367 K N 4.619 124.770 120.400 -0.415 0.000 2.368 367 K HA 0.138 4.488 4.320 0.050 0.000 0.282 367 K C -1.928 174.265 176.600 -0.677 0.000 1.035 367 K CA -1.748 53.891 56.287 -1.081 0.000 0.973 367 K CB 0.463 32.418 32.500 -0.908 0.000 0.957 367 K HN 0.492 nan 8.250 nan 0.000 0.474 368 P HA 0.049 nan 4.420 nan 0.000 0.271 368 P C -0.948 176.190 177.300 -0.269 0.000 1.218 368 P CA 0.053 62.956 63.100 -0.328 0.000 0.780 368 P CB 0.909 32.485 31.700 -0.206 0.000 0.901 369 E N 0.083 120.184 120.200 -0.165 0.000 2.250 369 E HA 0.118 4.498 4.350 0.050 0.000 0.265 369 E C 1.497 178.039 176.600 -0.097 0.000 1.033 369 E CA -0.423 55.899 56.400 -0.130 0.000 0.888 369 E CB 0.870 30.509 29.700 -0.101 0.000 1.151 369 E HN 0.446 nan 8.360 nan 0.000 0.412 370 S N 1.582 117.226 115.700 -0.093 0.000 2.389 370 S HA -0.298 4.201 4.470 0.050 0.000 0.231 370 S C 1.370 175.935 174.600 -0.057 0.000 1.052 370 S CA 2.042 60.190 58.200 -0.087 0.000 1.053 370 S CB -0.453 62.678 63.200 -0.115 0.000 0.886 370 S HN 0.538 nan 8.310 nan 0.000 0.456 371 E N 1.633 121.802 120.200 -0.052 0.000 2.347 371 E HA 0.009 4.389 4.350 0.050 0.000 0.196 371 E C 1.768 178.356 176.600 -0.020 0.000 1.008 371 E CA 1.141 57.520 56.400 -0.035 0.000 0.852 371 E CB -0.440 29.237 29.700 -0.038 0.000 0.783 371 E HN 0.800 nan 8.360 nan 0.000 0.505 372 E N 0.305 120.494 120.200 -0.019 0.000 2.435 372 E HA 0.047 4.427 4.350 0.050 0.000 0.195 372 E C -0.270 176.350 176.600 0.032 0.000 1.029 372 E CA 0.192 56.599 56.400 0.011 0.000 0.865 372 E CB 0.537 30.234 29.700 -0.005 0.000 0.833 372 E HN 0.018 nan 8.360 nan 0.000 0.510 373 V N 2.494 122.413 119.914 0.008 0.000 2.459 373 V HA 0.246 4.395 4.120 0.050 0.000 0.295 373 V C -2.347 173.767 176.094 0.033 0.000 1.029 373 V CA -2.287 60.008 62.300 -0.008 0.000 0.874 373 V CB 1.456 33.313 31.823 0.057 0.000 0.985 373 V HN -0.063 nan 8.190 nan 0.000 0.438 374 P HA 0.271 nan 4.420 nan 0.000 0.268 374 P C -1.143 176.273 177.300 0.194 0.000 1.204 374 P CA 0.222 63.356 63.100 0.056 0.000 0.768 374 P CB 0.163 31.877 31.700 0.024 0.000 0.842 375 F N 2.190 122.155 119.950 0.025 0.000 2.588 375 F HA 0.624 5.180 4.527 0.049 0.000 0.314 375 F C -1.413 174.404 175.800 0.029 0.000 1.134 375 F CA -0.609 57.416 58.000 0.041 0.000 0.961 375 F CB 1.497 40.516 39.000 0.031 0.000 1.239 375 F HN 0.336 nan 8.300 nan 0.000 0.448 376 A N 6.611 129.081 122.820 -0.584 0.000 2.340 376 A HA 0.585 4.935 4.320 0.050 0.000 0.297 376 A C -0.683 176.594 177.584 -0.512 0.000 1.195 376 A CA -0.770 51.074 52.037 -0.323 0.000 0.769 376 A CB 0.962 19.847 19.000 -0.191 0.000 1.163 376 A HN 0.887 nan 8.150 nan 0.000 0.472 377 R N 2.489 122.912 120.500 -0.128 0.000 2.694 377 R HA 0.406 4.776 4.340 0.050 0.000 0.268 377 R C -0.988 175.292 176.300 -0.033 0.000 1.061 377 R CA -0.087 56.035 56.100 0.037 0.000 1.133 377 R CB 0.333 30.779 30.300 0.243 0.000 1.020 377 R HN 0.705 nan 8.270 nan 0.000 0.475 378 L N 5.420 126.643 121.223 -0.001 0.000 2.309 378 L HA 0.434 4.803 4.340 0.050 0.000 0.282 378 L C -1.933 174.969 176.870 0.053 0.000 1.036 378 L CA -2.351 52.488 54.840 -0.002 0.000 0.806 378 L CB 1.738 43.803 42.059 0.009 0.000 1.220 378 L HN 0.593 nan 8.230 nan 0.000 0.429 379 P HA 0.119 nan 4.420 nan 0.000 0.274 379 P C -1.046 176.359 177.300 0.175 0.000 1.231 379 P CA -0.510 62.646 63.100 0.093 0.000 0.790 379 P CB 0.515 32.264 31.700 0.082 0.000 0.951 380 D N 2.203 122.652 120.400 0.083 0.000 2.399 380 D HA 0.106 4.775 4.640 0.050 0.000 0.241 380 D C -1.925 174.351 176.300 -0.040 0.000 1.133 380 D CA -0.954 53.053 54.000 0.011 0.000 0.890 380 D CB -0.256 40.491 40.800 -0.088 0.000 1.201 380 D HN 0.274 nan 8.370 nan 0.000 0.432 381 P HA 0.103 nan 4.420 nan 0.000 0.275 381 P C -0.058 177.168 177.300 -0.123 0.000 1.228 381 P CA -0.308 62.456 63.100 -0.559 0.000 0.786 381 P CB 0.706 32.153 31.700 -0.422 0.000 0.927 382 N N 0.969 119.647 118.700 -0.036 0.000 2.194 382 N HA 0.075 4.845 4.740 0.050 0.000 0.231 382 N C -0.959 174.670 175.510 0.198 0.000 1.247 382 N CA -0.251 52.914 53.050 0.193 0.000 0.884 382 N CB 0.302 38.838 38.487 0.082 0.000 1.146 382 N HN 0.049 nan 8.380 nan 0.000 0.516 383 V N 3.095 123.011 119.914 0.003 0.000 2.326 383 V HA 0.482 4.632 4.120 0.050 0.000 0.281 383 V C -2.371 173.412 176.094 -0.517 0.000 1.015 383 V CA -1.326 60.767 62.300 -0.343 0.000 0.823 383 V CB 1.961 33.442 31.823 -0.570 0.000 1.009 383 V HN 0.109 nan 8.190 nan 0.000 0.436 384 P HA 0.604 nan 4.420 nan 0.000 0.293 384 P C -1.204 175.665 177.300 -0.718 0.000 1.291 384 P CA -0.588 61.819 63.100 -1.156 0.000 0.867 384 P CB 2.398 33.023 31.700 -1.791 0.000 1.074 385 V N -1.280 118.232 119.914 -0.669 0.000 2.777 385 V HA 0.782 4.932 4.120 0.050 0.000 0.306 385 V C -0.238 175.626 176.094 -0.384 0.000 1.112 385 V CA -1.407 60.612 62.300 -0.468 0.000 0.917 385 V CB 1.175 32.614 31.823 -0.639 0.000 1.018 385 V HN 0.691 nan 8.190 nan 0.000 0.426 386 A N 5.037 127.716 122.820 -0.235 0.000 2.477 386 A HA 0.680 5.029 4.320 0.050 0.000 0.246 386 A C -0.317 177.076 177.584 -0.319 0.000 1.078 386 A CA -0.219 51.667 52.037 -0.252 0.000 0.770 386 A CB 0.423 19.347 19.000 -0.128 0.000 1.011 386 A HN 1.170 nan 8.150 nan 0.000 0.494 387 L N 3.376 124.363 121.223 -0.392 0.000 2.325 387 L HA 0.534 4.903 4.340 0.050 0.000 0.278 387 L C -0.841 175.721 176.870 -0.513 0.000 1.023 387 L CA -0.561 54.137 54.840 -0.237 0.000 0.811 387 L CB 1.081 43.109 42.059 -0.052 0.000 1.249 387 L HN 0.800 nan 8.230 nan 0.000 0.431 388 H N 3.749 122.875 119.070 0.092 0.000 2.877 388 H HA 0.349 4.934 4.556 0.049 0.000 0.347 388 H C -2.549 172.793 175.328 0.022 0.000 1.042 388 H CA -1.659 54.416 56.048 0.045 0.000 1.276 388 H CB 1.958 31.739 29.762 0.032 0.000 1.681 388 H HN 0.395 nan 8.280 nan 0.000 0.521 389 P HA 0.051 nan 4.420 nan 0.000 0.272 389 P C 0.860 178.195 177.300 0.058 0.000 1.223 389 P CA -0.346 62.794 63.100 0.067 0.000 0.784 389 P CB 2.066 33.798 31.700 0.053 0.000 0.923 390 K N 1.294 121.709 120.400 0.025 0.000 2.026 390 K HA -0.019 4.330 4.320 0.050 0.000 0.208 390 K C 1.127 177.732 176.600 0.009 0.000 1.048 390 K CA 1.794 58.087 56.287 0.009 0.000 0.929 390 K CB -0.356 32.139 32.500 -0.009 0.000 0.713 390 K HN 0.730 nan 8.250 nan 0.000 0.439 391 G N -1.366 107.440 108.800 0.011 0.000 2.846 391 G HA2 0.141 4.131 3.960 0.050 0.000 0.299 391 G HA3 0.141 4.131 3.960 0.050 0.000 0.299 391 G C -0.325 174.583 174.900 0.013 0.000 1.242 391 G CA -0.328 44.778 45.100 0.009 0.000 0.800 391 G HN 0.106 nan 8.290 nan 0.000 0.538 392 R N -0.752 119.754 120.500 0.009 0.000 2.171 392 R HA -0.180 4.190 4.340 0.050 0.000 0.226 392 R C 2.826 179.133 176.300 0.012 0.000 1.113 392 R CA 3.582 59.688 56.100 0.010 0.000 0.887 392 R CB -1.190 29.114 30.300 0.007 0.000 0.830 392 R HN 0.625 nan 8.270 nan 0.000 0.432 393 T N -0.702 113.858 114.554 0.010 0.000 2.737 393 T HA -0.182 4.198 4.350 0.050 0.000 0.269 393 T C 1.488 176.196 174.700 0.014 0.000 1.040 393 T CA 1.764 63.870 62.100 0.011 0.000 1.142 393 T CB -0.583 68.292 68.868 0.011 0.000 0.861 393 T HN 0.360 nan 8.240 nan 0.000 0.456 394 D N 1.139 121.548 120.400 0.015 0.000 2.084 394 D HA -0.120 4.550 4.640 0.050 0.000 0.194 394 D C 2.199 178.513 176.300 0.023 0.000 0.990 394 D CA 1.219 55.230 54.000 0.019 0.000 0.826 394 D CB -0.416 40.395 40.800 0.017 0.000 0.971 394 D HN 0.441 nan 8.370 nan 0.000 0.453 395 E N 0.999 121.214 120.200 0.024 0.000 2.171 395 E HA -0.171 4.209 4.350 0.050 0.000 0.197 395 E C 1.809 178.422 176.600 0.021 0.000 0.997 395 E CA 0.928 57.344 56.400 0.027 0.000 0.810 395 E CB 0.062 29.778 29.700 0.028 0.000 0.738 395 E HN 0.186 nan 8.360 nan 0.000 0.467 396 A N 0.640 123.470 122.820 0.017 0.000 1.935 396 A HA -0.030 4.320 4.320 0.050 0.000 0.214 396 A C 2.102 179.693 177.584 0.011 0.000 1.178 396 A CA 0.800 52.845 52.037 0.013 0.000 0.640 396 A CB -0.139 18.867 19.000 0.011 0.000 0.825 396 A HN 0.134 nan 8.150 nan 0.000 0.447 397 R N -0.315 120.193 120.500 0.013 0.000 2.300 397 R HA 0.238 4.608 4.340 0.050 0.000 0.199 397 R C 1.670 177.979 176.300 0.015 0.000 0.920 397 R CA -0.039 56.067 56.100 0.011 0.000 1.046 397 R CB -0.114 30.194 30.300 0.014 0.000 0.984 397 R HN 0.388 nan 8.270 nan 0.000 0.493 398 L N 0.760 121.996 121.223 0.021 0.000 2.191 398 L HA -0.046 4.324 4.340 0.050 0.000 0.212 398 L C 1.703 178.585 176.870 0.020 0.000 1.103 398 L CA 1.818 56.676 54.840 0.029 0.000 0.769 398 L CB -0.921 41.158 42.059 0.034 0.000 0.908 398 L HN 0.269 nan 8.230 nan 0.000 0.438 399 G N -0.297 108.510 108.800 0.011 0.000 2.414 399 G HA2 -0.334 3.656 3.960 0.050 0.000 0.215 399 G HA3 -0.334 3.656 3.960 0.050 0.000 0.215 399 G C 1.413 176.306 174.900 -0.011 0.000 1.188 399 G CA 0.809 45.912 45.100 0.004 0.000 0.783 399 G HN 0.437 nan 8.290 nan 0.000 0.537 400 E N 0.904 121.090 120.200 -0.023 0.000 2.152 400 E HA 0.126 4.506 4.350 0.050 0.000 0.192 400 E C 2.600 179.143 176.600 -0.096 0.000 0.983 400 E CA 1.283 57.651 56.400 -0.054 0.000 0.818 400 E CB -0.477 29.191 29.700 -0.054 0.000 0.758 400 E HN 0.275 nan 8.360 nan 0.000 0.467 401 A N 0.450 123.235 122.820 -0.059 0.000 1.898 401 A HA -0.096 4.254 4.320 0.050 0.000 0.216 401 A C 2.256 179.821 177.584 -0.031 0.000 1.181 401 A CA 1.272 53.276 52.037 -0.055 0.000 0.620 401 A CB -0.647 18.399 19.000 0.077 0.000 0.819 401 A HN 0.347 nan 8.150 nan 0.000 0.442 402 L N -1.180 120.048 121.223 0.008 0.000 2.093 402 L HA -0.132 4.238 4.340 0.050 0.000 0.208 402 L C 2.768 179.638 176.870 0.001 0.000 1.085 402 L CA 1.401 56.259 54.840 0.030 0.000 0.755 402 L CB -0.431 41.649 42.059 0.035 0.000 0.904 402 L HN 0.471 nan 8.230 nan 0.000 0.435 403 R N 0.812 121.293 120.500 -0.032 0.000 2.083 403 R HA -0.207 4.163 4.340 0.050 0.000 0.237 403 R C 2.266 178.532 176.300 -0.056 0.000 1.137 403 R CA 1.703 57.784 56.100 -0.032 0.000 0.951 403 R CB -0.032 30.244 30.300 -0.040 0.000 0.851 403 R HN 0.280 nan 8.270 nan 0.000 0.434 404 K N 0.505 120.807 120.400 -0.163 0.000 2.057 404 K HA -0.114 4.236 4.320 0.050 0.000 0.206 404 K C 2.163 178.706 176.600 -0.094 0.000 1.050 404 K CA 1.071 57.208 56.287 -0.251 0.000 0.935 404 K CB -0.225 31.862 32.500 -0.688 0.000 0.715 404 K HN 0.244 nan 8.250 nan 0.000 0.439 405 L N 1.347 122.572 121.223 0.003 0.000 2.012 405 L HA -0.187 4.183 4.340 0.050 0.000 0.210 405 L C 2.031 178.977 176.870 0.127 0.000 1.073 405 L CA 1.584 56.537 54.840 0.189 0.000 0.748 405 L CB -0.251 41.931 42.059 0.205 0.000 0.891 405 L HN 0.275 nan 8.230 nan 0.000 0.431 406 L N -0.856 120.417 121.223 0.083 0.000 2.291 406 L HA -0.135 4.234 4.340 0.050 0.000 0.214 406 L C 2.559 179.482 176.870 0.090 0.000 1.120 406 L CA 0.490 55.381 54.840 0.085 0.000 0.799 406 L CB -0.471 41.626 42.059 0.064 0.000 0.925 406 L HN 0.282 nan 8.230 nan 0.000 0.446 407 E N 0.359 120.607 120.200 0.080 0.000 2.072 407 E HA -0.240 4.140 4.350 0.050 0.000 0.191 407 E C 1.944 178.603 176.600 0.098 0.000 0.985 407 E CA 1.104 57.565 56.400 0.101 0.000 0.801 407 E CB 0.120 29.867 29.700 0.078 0.000 0.750 407 E HN 0.501 nan 8.360 nan 0.000 0.452 408 E N 0.259 120.517 120.200 0.098 0.000 2.152 408 E HA -0.131 4.248 4.350 0.050 0.000 0.192 408 E C -0.010 176.651 176.600 0.101 0.000 0.983 408 E CA 0.662 57.122 56.400 0.100 0.000 0.818 408 E CB 0.340 30.123 29.700 0.138 0.000 0.758 408 E HN -0.113 nan 8.360 nan 0.000 0.467 409 D N -0.460 120.016 120.400 0.127 0.000 2.400 409 D HA 0.176 4.846 4.640 0.050 0.000 0.272 409 D C -2.335 174.059 176.300 0.157 0.000 1.220 409 D CA -2.221 51.872 54.000 0.155 0.000 0.897 409 D CB 1.408 42.339 40.800 0.218 0.000 1.134 409 D HN -0.069 nan 8.370 nan 0.000 0.507 410 P HA -0.010 nan 4.420 nan 0.000 0.242 410 P C 1.080 178.470 177.300 0.149 0.000 1.197 410 P CA 0.463 63.636 63.100 0.121 0.000 0.765 410 P CB 0.194 31.954 31.700 0.101 0.000 0.936 411 S N -1.693 114.130 115.700 0.206 0.000 2.527 411 S HA 0.044 4.544 4.470 0.050 0.000 0.222 411 S C 0.678 175.503 174.600 0.375 0.000 0.985 411 S CA 0.128 58.513 58.200 0.308 0.000 0.921 411 S CB -0.791 62.570 63.200 0.268 0.000 0.772 411 S HN 0.061 nan 8.310 nan 0.000 0.529 412 L N 1.780 123.171 121.223 0.280 0.000 2.312 412 L HA 0.485 4.855 4.340 0.050 0.000 0.281 412 L C 0.017 176.951 176.870 0.107 0.000 1.070 412 L CA -0.331 54.605 54.840 0.161 0.000 0.805 412 L CB 1.210 43.316 42.059 0.079 0.000 1.174 412 L HN 0.069 nan 8.230 nan 0.000 0.434 413 K N 3.408 123.867 120.400 0.097 0.000 2.324 413 K HA 0.561 4.911 4.320 0.050 0.000 0.253 413 K C -1.403 175.286 176.600 0.149 0.000 0.932 413 K CA -0.850 55.484 56.287 0.078 0.000 0.799 413 K CB 2.622 35.110 32.500 -0.019 0.000 1.154 413 K HN 0.237 nan 8.250 nan 0.000 0.425 414 L N 3.314 124.598 121.223 0.103 0.000 2.305 414 L HA 0.334 4.704 4.340 0.050 0.000 0.284 414 L C -0.804 176.132 176.870 0.109 0.000 1.013 414 L CA 0.161 55.068 54.840 0.111 0.000 0.819 414 L CB 1.007 43.102 42.059 0.060 0.000 1.227 414 L HN 0.743 nan 8.230 nan 0.000 0.417 415 E N 3.507 123.808 120.200 0.169 0.000 2.369 415 E HA 0.602 4.982 4.350 0.050 0.000 0.270 415 E C -1.194 175.473 176.600 0.112 0.000 0.909 415 E CA -1.205 55.276 56.400 0.135 0.000 0.775 415 E CB 1.616 31.418 29.700 0.169 0.000 1.270 415 E HN 0.420 nan 8.360 nan 0.000 0.445 416 R N 2.034 122.578 120.500 0.073 0.000 2.246 416 R HA 0.165 4.535 4.340 0.050 0.000 0.332 416 R C -0.964 175.373 176.300 0.062 0.000 0.974 416 R CA -0.631 55.502 56.100 0.053 0.000 0.837 416 R CB 0.869 31.188 30.300 0.032 0.000 1.145 416 R HN 0.572 nan 8.270 nan 0.000 0.467 417 Q N 3.013 122.855 119.800 0.071 0.000 2.239 417 Q HA -0.063 4.307 4.340 0.050 0.000 0.286 417 Q C -0.031 175.999 176.000 0.051 0.000 1.102 417 Q CA 0.952 56.800 55.803 0.075 0.000 0.936 417 Q CB 0.659 29.440 28.738 0.071 0.000 1.127 417 Q HN 0.773 nan 8.270 nan 0.000 0.380 418 E N 3.383 123.607 120.200 0.041 0.000 2.049 418 E HA -0.265 4.115 4.350 0.050 0.000 0.198 418 E C 1.038 177.655 176.600 0.028 0.000 1.007 418 E CA 1.974 58.388 56.400 0.023 0.000 0.809 418 E CB 0.134 29.839 29.700 0.009 0.000 0.749 418 E HN 0.783 nan 8.360 nan 0.000 0.450 419 E N -0.013 120.215 120.200 0.047 0.000 2.042 419 E HA -0.052 4.328 4.350 0.050 0.000 0.189 419 E C 2.142 178.788 176.600 0.075 0.000 0.974 419 E CA 1.222 57.661 56.400 0.066 0.000 0.806 419 E CB 0.048 29.810 29.700 0.103 0.000 0.769 419 E HN 0.102 nan 8.360 nan 0.000 0.451 420 T N -0.713 113.892 114.554 0.085 0.000 2.951 420 T HA 0.012 4.392 4.350 0.050 0.000 0.268 420 T C 1.489 176.222 174.700 0.056 0.000 1.073 420 T CA 0.941 63.091 62.100 0.085 0.000 1.134 420 T CB -0.034 68.886 68.868 0.086 0.000 0.884 420 T HN 0.483 nan 8.240 nan 0.000 0.479 421 G N 1.542 110.369 108.800 0.045 0.000 2.205 421 G HA2 -0.260 3.729 3.960 0.050 0.000 0.261 421 G HA3 -0.260 3.729 3.960 0.050 0.000 0.261 421 G C -0.016 174.906 174.900 0.037 0.000 0.980 421 G CA 0.161 45.282 45.100 0.035 0.000 0.632 421 G HN 0.544 nan 8.290 nan 0.000 0.533 422 E N -0.380 119.844 120.200 0.040 0.000 2.404 422 E HA 0.409 4.789 4.350 0.050 0.000 0.261 422 E C -0.058 176.542 176.600 0.001 0.000 1.074 422 E CA -0.591 55.824 56.400 0.025 0.000 0.917 422 E CB 1.096 30.806 29.700 0.016 0.000 0.965 422 E HN 0.221 nan 8.360 nan 0.000 0.433 423 L N 4.163 125.366 121.223 -0.032 0.000 2.268 423 L HA 0.252 4.622 4.340 0.050 0.000 0.289 423 L C -1.201 175.618 176.870 -0.086 0.000 1.064 423 L CA 0.192 55.011 54.840 -0.035 0.000 0.824 423 L CB 0.072 42.111 42.059 -0.033 0.000 1.202 423 L HN 0.346 nan 8.230 nan 0.000 0.433 424 L N 5.256 126.447 121.223 -0.054 0.000 2.322 424 L HA 0.502 4.872 4.340 0.050 0.000 0.279 424 L C -0.707 176.098 176.870 -0.108 0.000 1.036 424 L CA -0.878 53.866 54.840 -0.159 0.000 0.807 424 L CB 1.733 43.662 42.059 -0.216 0.000 1.226 424 L HN 0.475 nan 8.230 nan 0.000 0.433 425 L N 2.113 123.178 121.223 -0.264 0.000 2.325 425 L HA 0.517 4.886 4.340 0.050 0.000 0.281 425 L C -1.498 175.187 176.870 -0.308 0.000 1.004 425 L CA 0.030 54.764 54.840 -0.177 0.000 0.823 425 L CB 1.225 43.147 42.059 -0.227 0.000 1.236 425 L HN 0.360 nan 8.230 nan 0.000 0.415 426 W N 4.342 125.518 121.300 -0.208 0.000 2.433 426 W HA 0.771 5.460 4.660 0.048 0.000 0.315 426 W C 0.533 176.892 176.519 -0.266 0.000 1.087 426 W CA -0.243 56.961 57.345 -0.235 0.000 1.205 426 W CB 1.862 31.212 29.460 -0.183 0.000 1.288 426 W HN 0.728 nan 8.180 nan 0.000 0.504 427 G N 0.167 108.897 108.800 -0.117 0.000 3.105 427 G HA2 0.340 4.329 3.960 0.050 0.000 0.277 427 G HA3 0.340 4.329 3.960 0.050 0.000 0.277 427 G C -0.953 173.878 174.900 -0.114 0.000 1.375 427 G CA -0.663 44.369 45.100 -0.114 0.000 0.962 427 G HN 0.571 nan 8.290 nan 0.000 0.541 428 H N -1.306 117.954 119.070 0.316 0.000 2.549 428 H HA 0.485 5.071 4.556 0.049 0.000 0.279 428 H C 0.952 176.259 175.328 -0.036 0.000 1.018 428 H CA 0.727 56.809 56.048 0.056 0.000 1.175 428 H CB 0.880 30.599 29.762 -0.072 0.000 1.485 428 H HN 0.835 nan 8.280 nan 0.000 0.543 429 G N -0.607 108.213 108.800 0.033 0.000 2.325 429 G HA2 -0.048 3.941 3.960 0.050 0.000 0.297 429 G HA3 -0.048 3.941 3.960 0.050 0.000 0.297 429 G C -0.026 174.880 174.900 0.009 0.000 1.448 429 G CA -0.461 44.640 45.100 0.002 0.000 0.838 429 G HN 0.158 nan 8.290 nan 0.000 0.579 430 E N -0.492 119.796 120.200 0.147 0.000 2.085 430 E HA -0.110 4.270 4.350 0.050 0.000 0.194 430 E C 2.088 178.721 176.600 0.055 0.000 0.994 430 E CA 1.233 57.751 56.400 0.198 0.000 0.801 430 E CB -0.034 29.804 29.700 0.230 0.000 0.743 430 E HN 0.407 nan 8.360 nan 0.000 0.453 431 L N 0.539 121.735 121.223 -0.045 0.000 2.027 431 L HA -0.208 4.162 4.340 0.050 0.000 0.206 431 L C 2.597 179.438 176.870 -0.048 0.000 1.074 431 L CA 1.993 56.751 54.840 -0.137 0.000 0.745 431 L CB -0.605 41.272 42.059 -0.305 0.000 0.898 431 L HN 0.439 nan 8.230 nan 0.000 0.433 432 H N -0.155 118.794 119.070 -0.201 0.000 2.290 432 H HA -0.212 4.374 4.556 0.049 0.000 0.298 432 H C 2.396 177.743 175.328 0.031 0.000 1.087 432 H CA 1.800 57.798 56.048 -0.083 0.000 1.291 432 H CB 0.133 29.827 29.762 -0.114 0.000 1.369 432 H HN 0.318 nan 8.280 nan 0.000 0.492 433 L N 0.320 121.505 121.223 -0.063 0.000 2.083 433 L HA -0.165 4.205 4.340 0.050 0.000 0.209 433 L C 3.075 180.032 176.870 0.144 0.000 1.083 433 L CA 0.877 55.642 54.840 -0.124 0.000 0.752 433 L CB -0.501 41.408 42.059 -0.250 0.000 0.899 433 L HN 0.375 nan 8.230 nan 0.000 0.433 434 A N 0.279 123.192 122.820 0.155 0.000 1.902 434 A HA -0.219 4.130 4.320 0.050 0.000 0.217 434 A C 2.455 180.137 177.584 0.163 0.000 1.181 434 A CA 2.249 54.402 52.037 0.192 0.000 0.623 434 A CB -0.958 18.115 19.000 0.123 0.000 0.818 434 A HN 0.530 nan 8.150 nan 0.000 0.443 435 T N -2.355 112.273 114.554 0.124 0.000 2.867 435 T HA 0.136 4.515 4.350 0.050 0.000 0.268 435 T C 1.892 176.669 174.700 0.128 0.000 1.057 435 T CA 1.478 63.665 62.100 0.145 0.000 1.136 435 T CB -0.461 68.535 68.868 0.213 0.000 0.874 435 T HN 0.524 nan 8.240 nan 0.000 0.466 436 A N 2.019 124.911 122.820 0.119 0.000 1.898 436 A HA 0.012 4.362 4.320 0.050 0.000 0.216 436 A C 2.407 180.080 177.584 0.148 0.000 1.181 436 A CA 1.749 53.845 52.037 0.098 0.000 0.620 436 A CB -0.712 18.290 19.000 0.003 0.000 0.819 436 A HN 0.570 nan 8.150 nan 0.000 0.442 437 K N -0.114 120.418 120.400 0.220 0.000 2.026 437 K HA -0.202 4.148 4.320 0.050 0.000 0.208 437 K C 1.893 178.505 176.600 0.021 0.000 1.048 437 K CA 1.802 58.155 56.287 0.110 0.000 0.929 437 K CB -0.206 32.279 32.500 -0.026 0.000 0.713 437 K HN 0.607 nan 8.250 nan 0.000 0.439 438 E N -0.157 120.068 120.200 0.043 0.000 2.110 438 E HA -0.204 4.175 4.350 0.050 0.000 0.193 438 E C 2.113 178.683 176.600 -0.050 0.000 0.988 438 E CA 0.867 57.273 56.400 0.009 0.000 0.804 438 E CB -0.003 29.732 29.700 0.059 0.000 0.745 438 E HN 0.102 nan 8.360 nan 0.000 0.458 439 R N 1.007 121.476 120.500 -0.051 0.000 2.092 439 R HA -0.042 4.328 4.340 0.050 0.000 0.231 439 R C 2.013 178.147 176.300 -0.276 0.000 1.119 439 R CA 1.016 57.005 56.100 -0.186 0.000 0.970 439 R CB -0.473 29.772 30.300 -0.092 0.000 0.864 439 R HN 0.175 nan 8.270 nan 0.000 0.440 440 L N 0.045 121.243 121.223 -0.041 0.000 2.131 440 L HA -0.161 4.209 4.340 0.050 0.000 0.210 440 L C 2.547 179.418 176.870 0.001 0.000 1.092 440 L CA 1.613 56.497 54.840 0.073 0.000 0.759 440 L CB -0.367 41.752 42.059 0.101 0.000 0.903 440 L HN 0.377 nan 8.230 nan 0.000 0.435 441 Q N -0.186 119.580 119.800 -0.057 0.000 2.230 441 Q HA -0.196 4.174 4.340 0.050 0.000 0.202 441 Q C 1.416 177.360 176.000 -0.093 0.000 0.963 441 Q CA 1.261 57.031 55.803 -0.054 0.000 0.866 441 Q CB 0.214 28.922 28.738 -0.051 0.000 0.931 441 Q HN 0.441 nan 8.270 nan 0.000 0.452 442 D N -0.447 119.828 120.400 -0.209 0.000 2.264 442 D HA -0.135 4.535 4.640 0.050 0.000 0.208 442 D C 0.501 176.640 176.300 -0.268 0.000 0.966 442 D CA 0.884 54.724 54.000 -0.267 0.000 0.864 442 D CB 0.047 40.608 40.800 -0.398 0.000 0.933 442 D HN 0.384 nan 8.370 nan 0.000 0.499 443 Y N -0.139 120.124 120.300 -0.062 0.000 2.470 443 Y HA 0.346 4.922 4.550 0.044 0.000 0.284 443 Y C 1.791 177.647 175.900 -0.073 0.000 1.188 443 Y CA -0.260 57.787 58.100 -0.088 0.000 1.269 443 Y CB 0.133 38.560 38.460 -0.055 0.000 1.094 443 Y HN -0.013 nan 8.280 nan 0.000 0.518 444 G N 0.020 108.850 108.800 0.050 0.000 2.136 444 G HA2 -0.211 3.779 3.960 0.050 0.000 0.242 444 G HA3 -0.211 3.779 3.960 0.050 0.000 0.242 444 G C -0.462 174.459 174.900 0.035 0.000 0.989 444 G CA 0.201 45.319 45.100 0.031 0.000 0.682 444 G HN 0.139 nan 8.290 nan 0.000 0.522 445 V N 0.102 120.043 119.914 0.044 0.000 2.588 445 V HA 0.541 4.691 4.120 0.050 0.000 0.304 445 V C 0.012 176.113 176.094 0.011 0.000 1.042 445 V CA -0.959 61.362 62.300 0.035 0.000 0.877 445 V CB 1.954 33.811 31.823 0.057 0.000 0.996 445 V HN 0.337 nan 8.190 nan 0.000 0.425 446 E N 2.830 123.028 120.200 -0.003 0.000 2.156 446 E HA 0.634 5.014 4.350 0.050 0.000 0.279 446 E C -0.741 175.839 176.600 -0.034 0.000 0.965 446 E CA -0.362 56.021 56.400 -0.028 0.000 0.789 446 E CB 2.220 31.904 29.700 -0.026 0.000 1.098 446 E HN 0.638 nan 8.360 nan 0.000 0.397 447 V N 0.192 120.056 119.914 -0.082 0.000 3.141 447 V HA 0.683 4.833 4.120 0.050 0.000 0.312 447 V C -0.984 174.981 176.094 -0.215 0.000 1.157 447 V CA -0.925 61.321 62.300 -0.091 0.000 1.041 447 V CB 2.084 33.875 31.823 -0.053 0.000 1.071 447 V HN 0.791 nan 8.190 nan 0.000 0.441 448 E N 1.155 121.258 120.200 -0.161 0.000 2.340 448 E HA 0.643 5.023 4.350 0.050 0.000 0.273 448 E C -1.953 174.621 176.600 -0.043 0.000 0.891 448 E CA -0.754 55.521 56.400 -0.209 0.000 0.757 448 E CB 2.328 32.004 29.700 -0.040 0.000 1.231 448 E HN 0.494 nan 8.360 nan 0.000 0.439 449 F N 0.986 120.969 119.950 0.055 0.000 2.440 449 F HA 0.649 5.206 4.527 0.049 0.000 0.328 449 F C 0.465 176.314 175.800 0.082 0.000 1.070 449 F CA -0.850 57.168 58.000 0.031 0.000 1.011 449 F CB 1.990 40.986 39.000 -0.007 0.000 1.226 449 F HN 0.684 nan 8.300 nan 0.000 0.491 450 S N -0.855 115.016 115.700 0.285 0.000 2.570 450 S HA 0.656 5.156 4.470 0.050 0.000 0.270 450 S C -1.420 173.243 174.600 0.104 0.000 1.149 450 S CA -1.056 57.263 58.200 0.198 0.000 0.837 450 S CB 1.095 64.454 63.200 0.265 0.000 1.124 450 S HN 0.348 nan 8.310 nan 0.000 0.465 451 V N 2.633 122.589 119.914 0.071 0.000 2.585 451 V HA 0.261 4.410 4.120 0.050 0.000 0.296 451 V C -2.070 174.024 176.094 -0.000 0.000 1.035 451 V CA -0.903 61.408 62.300 0.018 0.000 1.084 451 V CB -0.067 31.767 31.823 0.019 0.000 0.953 451 V HN 0.771 nan 8.190 nan 0.000 0.483 452 P HA 0.123 nan 4.420 nan 0.000 0.268 452 P C -0.369 176.915 177.300 -0.028 0.000 1.205 452 P CA -0.174 62.883 63.100 -0.072 0.000 0.771 452 P CB 0.373 31.974 31.700 -0.165 0.000 0.858 453 K N 1.274 121.683 120.400 0.015 0.000 2.382 453 K HA 0.176 4.525 4.320 0.050 0.000 0.275 453 K C -0.245 176.348 176.600 -0.011 0.000 1.009 453 K CA -0.505 55.809 56.287 0.046 0.000 0.970 453 K CB 0.283 32.844 32.500 0.102 0.000 0.934 453 K HN 0.190 nan 8.250 nan 0.000 0.479 454 V N 5.361 125.225 119.914 -0.083 0.000 2.555 454 V HA 0.065 4.214 4.120 0.050 0.000 0.286 454 V C -1.643 174.293 176.094 -0.263 0.000 1.044 454 V CA -1.237 60.883 62.300 -0.300 0.000 1.026 454 V CB 0.761 32.164 31.823 -0.699 0.000 0.981 454 V HN 0.749 nan 8.190 nan 0.000 0.480 455 P HA 0.196 nan 4.420 nan 0.000 0.238 455 P C -0.832 176.518 177.300 0.084 0.000 1.794 455 P CA -0.323 62.812 63.100 0.057 0.000 1.088 455 P CB -0.199 31.565 31.700 0.108 0.000 1.923 456 Y N 1.791 122.117 120.300 0.043 0.000 2.357 456 Y HA 0.247 4.827 4.550 0.050 0.000 0.340 456 Y C 1.700 177.567 175.900 -0.054 0.000 1.260 456 Y CA 0.481 58.461 58.100 -0.200 0.000 1.425 456 Y CB 0.765 38.657 38.460 -0.948 0.000 1.326 456 Y HN 0.188 nan 8.280 nan 0.000 0.580 457 R N 0.608 121.229 120.500 0.200 0.000 2.855 457 R HA 0.490 4.860 4.340 0.050 0.000 0.266 457 R C -1.078 175.295 176.300 0.122 0.000 1.034 457 R CA -1.113 55.069 56.100 0.136 0.000 0.944 457 R CB 2.286 32.513 30.300 -0.122 0.000 1.219 457 R HN 0.655 nan 8.270 nan 0.000 0.474 458 E N -0.268 120.018 120.200 0.144 0.000 2.320 458 E HA 0.507 4.886 4.350 0.050 0.000 0.264 458 E C -0.935 175.752 176.600 0.145 0.000 0.923 458 E CA -0.671 55.815 56.400 0.143 0.000 0.796 458 E CB 2.573 32.375 29.700 0.170 0.000 1.262 458 E HN 0.377 nan 8.360 nan 0.000 0.428 459 T N -0.165 114.471 114.554 0.137 0.000 2.661 459 T HA 0.552 4.932 4.350 0.050 0.000 0.305 459 T C -1.755 173.016 174.700 0.119 0.000 1.441 459 T CA -0.666 61.530 62.100 0.161 0.000 0.999 459 T CB 0.873 69.842 68.868 0.169 0.000 1.650 459 T HN 0.487 nan 8.240 nan 0.000 0.489 460 I N -0.075 120.569 120.570 0.124 0.000 2.740 460 I HA 0.693 4.893 4.170 0.050 0.000 0.303 460 I C 0.331 176.501 176.117 0.089 0.000 1.044 460 I CA -0.946 60.409 61.300 0.092 0.000 1.064 460 I CB 2.359 40.383 38.000 0.040 0.000 1.249 460 I HN 0.681 nan 8.210 nan 0.000 0.433 461 K N 2.582 123.025 120.400 0.072 0.000 2.367 461 K HA 0.255 4.604 4.320 0.050 0.000 0.195 461 K C -0.000 176.566 176.600 -0.057 0.000 1.060 461 K CA 0.096 56.366 56.287 -0.028 0.000 1.022 461 K CB 0.570 32.957 32.500 -0.188 0.000 0.894 461 K HN 0.788 nan 8.250 nan 0.000 0.540 462 K N -0.008 120.389 120.400 -0.005 0.000 2.512 462 K HA 0.263 4.613 4.320 0.050 0.000 0.263 462 K C -0.309 176.300 176.600 0.015 0.000 0.966 462 K CA -1.037 55.246 56.287 -0.006 0.000 0.851 462 K CB 1.858 34.352 32.500 -0.010 0.000 1.395 462 K HN -0.130 nan 8.250 nan 0.000 0.440 463 V N -1.014 118.905 119.914 0.007 0.000 2.924 463 V HA 0.746 4.896 4.120 0.050 0.000 0.305 463 V C -0.155 175.944 176.094 0.008 0.000 1.073 463 V CA 0.219 62.524 62.300 0.008 0.000 1.098 463 V CB 0.465 32.286 31.823 -0.004 0.000 1.000 463 V HN 1.032 nan 8.190 nan 0.000 0.484 464 A N 3.243 126.067 122.820 0.008 0.000 2.604 464 A HA 0.809 5.159 4.320 0.050 0.000 0.295 464 A C -0.780 176.829 177.584 0.042 0.000 1.067 464 A CA -0.851 51.194 52.037 0.013 0.000 0.683 464 A CB 1.639 20.632 19.000 -0.012 0.000 1.281 464 A HN 0.952 nan 8.150 nan 0.000 0.407 465 E N -0.228 120.020 120.200 0.081 0.000 2.367 465 E HA 0.720 5.099 4.350 0.050 0.000 0.273 465 E C -0.250 176.460 176.600 0.183 0.000 0.903 465 E CA -0.879 55.631 56.400 0.182 0.000 0.764 465 E CB 2.731 32.575 29.700 0.241 0.000 1.252 465 E HN 1.279 nan 8.360 nan 0.000 0.446 466 G N 0.674 109.600 108.800 0.211 0.000 2.466 466 G HA2 0.250 4.240 3.960 0.050 0.000 0.291 466 G HA3 0.250 4.240 3.960 0.050 0.000 0.291 466 G C -1.879 172.867 174.900 -0.257 0.000 1.460 466 G CA -0.706 44.405 45.100 0.019 0.000 0.791 466 G HN 0.370 nan 8.290 nan 0.000 0.505 467 Q N -0.418 118.993 119.800 -0.647 0.000 2.266 467 Q HA 0.666 5.036 4.340 0.050 0.000 0.261 467 Q C -0.299 175.401 176.000 -0.501 0.000 0.985 467 Q CA -0.889 54.315 55.803 -0.999 0.000 0.873 467 Q CB 1.933 29.648 28.738 -1.705 0.000 1.306 467 Q HN 0.945 nan 8.270 nan 0.000 0.447 468 G N 2.990 111.549 108.800 -0.403 0.000 2.626 468 G HA2 0.451 4.441 3.960 0.050 0.000 0.304 468 G HA3 0.451 4.441 3.960 0.050 0.000 0.304 468 G C -1.659 173.097 174.900 -0.239 0.000 1.385 468 G CA -0.446 44.519 45.100 -0.226 0.000 0.957 468 G HN 0.519 nan 8.290 nan 0.000 0.504 469 K N 1.483 121.760 120.400 -0.205 0.000 2.427 469 K HA 0.545 4.895 4.320 0.050 0.000 0.252 469 K C -2.132 174.383 176.600 -0.142 0.000 0.931 469 K CA -1.010 55.135 56.287 -0.238 0.000 0.793 469 K CB 2.376 34.736 32.500 -0.235 0.000 1.211 469 K HN 0.460 nan 8.250 nan 0.000 0.426 470 Y N 3.487 123.563 120.300 -0.373 0.000 2.327 470 Y HA 0.370 4.950 4.550 0.050 0.000 0.325 470 Y C -1.560 174.159 175.900 -0.301 0.000 0.999 470 Y CA -0.585 57.347 58.100 -0.280 0.000 1.195 470 Y CB 1.265 39.570 38.460 -0.257 0.000 1.132 470 Y HN 0.539 nan 8.280 nan 0.000 0.455 471 K N 6.535 126.624 120.400 -0.517 0.000 2.668 471 K HA 0.513 4.862 4.320 0.050 0.000 0.246 471 K C -1.713 174.679 176.600 -0.346 0.000 0.976 471 K CA -0.542 55.552 56.287 -0.321 0.000 0.902 471 K CB 0.694 33.175 32.500 -0.033 0.000 1.172 471 K HN 0.712 nan 8.250 nan 0.000 0.452 472 K N 2.006 122.182 120.400 -0.374 0.000 2.533 472 K HA 0.249 4.599 4.320 0.050 0.000 0.272 472 K C -1.467 175.069 176.600 -0.107 0.000 0.985 472 K CA -0.991 55.144 56.287 -0.253 0.000 0.876 472 K CB 2.497 34.786 32.500 -0.353 0.000 1.452 472 K HN 0.400 nan 8.250 nan 0.000 0.439 473 Q N 1.598 121.366 119.800 -0.053 0.000 2.533 473 Q HA 0.249 4.619 4.340 0.050 0.000 0.251 473 Q C -1.571 174.429 176.000 0.000 0.000 0.966 473 Q CA -0.308 55.494 55.803 -0.003 0.000 0.714 473 Q CB 1.470 30.212 28.738 0.006 0.000 1.284 473 Q HN 0.570 nan 8.270 nan 0.000 0.478 474 T N 2.627 117.191 114.554 0.017 0.000 2.947 474 T HA 0.666 5.046 4.350 0.050 0.000 0.337 474 T C 0.193 174.908 174.700 0.024 0.000 1.139 474 T CA 0.364 62.475 62.100 0.018 0.000 0.992 474 T CB 1.007 69.892 68.868 0.029 0.000 1.043 474 T HN 0.933 nan 8.240 nan 0.000 0.498 475 G N 2.848 111.652 108.800 0.007 0.000 2.445 475 G HA2 -0.009 3.981 3.960 0.050 0.000 0.212 475 G HA3 -0.009 3.981 3.960 0.050 0.000 0.212 475 G C 0.934 175.816 174.900 -0.030 0.000 1.217 475 G CA -0.018 45.080 45.100 -0.003 0.000 1.002 475 G HN 0.810 nan 8.290 nan 0.000 0.574 476 G N -0.481 108.285 108.800 -0.056 0.000 2.545 476 G HA2 0.132 4.122 3.960 0.050 0.000 0.217 476 G HA3 0.132 4.122 3.960 0.050 0.000 0.217 476 G C 0.756 175.507 174.900 -0.249 0.000 1.218 476 G CA 1.840 46.837 45.100 -0.171 0.000 0.787 476 G HN 0.882 nan 8.290 nan 0.000 0.571 477 H N -0.471 118.617 119.070 0.029 0.000 2.595 477 H HA 0.565 5.151 4.556 0.049 0.000 0.346 477 H C 0.500 175.852 175.328 0.040 0.000 1.181 477 H CA -0.105 55.965 56.048 0.037 0.000 1.242 477 H CB 1.313 31.105 29.762 0.051 0.000 1.652 477 H HN 0.320 nan 8.280 nan 0.000 0.548 478 G N -0.132 108.790 108.800 0.203 0.000 2.613 478 G HA2 0.364 4.354 3.960 0.050 0.000 0.303 478 G HA3 0.364 4.354 3.960 0.050 0.000 0.303 478 G C -0.796 174.186 174.900 0.136 0.000 1.312 478 G CA -0.469 44.704 45.100 0.122 0.000 1.036 478 G HN 0.362 nan 8.290 nan 0.000 0.513 479 Q N -0.930 118.930 119.800 0.100 0.000 2.365 479 Q HA 0.420 4.789 4.340 0.050 0.000 0.269 479 Q C -2.041 174.027 176.000 0.114 0.000 1.061 479 Q CA -0.664 55.219 55.803 0.134 0.000 0.816 479 Q CB 2.850 31.726 28.738 0.229 0.000 1.325 479 Q HN 0.594 nan 8.270 nan 0.000 0.446 480 Y N -0.489 119.789 120.300 -0.037 0.000 2.396 480 Y HA 0.617 5.197 4.550 0.050 0.000 0.332 480 Y C -0.934 174.724 175.900 -0.404 0.000 1.034 480 Y CA -0.465 57.541 58.100 -0.157 0.000 1.057 480 Y CB 2.009 40.409 38.460 -0.101 0.000 1.220 480 Y HN 0.654 nan 8.280 nan 0.000 0.440 481 G N 3.905 112.002 108.800 -1.170 0.000 2.740 481 G HA2 0.463 4.453 3.960 0.050 0.000 0.296 481 G HA3 0.463 4.453 3.960 0.050 0.000 0.296 481 G C -2.472 171.764 174.900 -1.106 0.000 1.439 481 G CA -0.650 43.582 45.100 -1.447 0.000 1.066 481 G HN 0.486 nan 8.290 nan 0.000 0.527 482 D N 0.841 120.798 120.400 -0.739 0.000 2.736 482 D HA 0.544 5.214 4.640 0.050 0.000 0.243 482 D C -0.977 175.365 176.300 0.069 0.000 1.304 482 D CA -0.216 53.615 54.000 -0.282 0.000 0.934 482 D CB 2.031 42.749 40.800 -0.136 0.000 1.382 482 D HN 0.303 nan 8.370 nan 0.000 0.571 483 V N 3.412 123.304 119.914 -0.037 0.000 2.686 483 V HA 0.507 4.657 4.120 0.050 0.000 0.306 483 V C -0.899 175.090 176.094 -0.174 0.000 1.065 483 V CA -0.868 61.458 62.300 0.042 0.000 0.894 483 V CB 1.954 33.867 31.823 0.150 0.000 1.004 483 V HN 0.486 nan 8.190 nan 0.000 0.424 484 W N 4.751 125.932 121.300 -0.198 0.000 2.349 484 W HA 0.759 5.449 4.660 0.050 0.000 0.309 484 W C -0.492 175.840 176.519 -0.312 0.000 1.083 484 W CA -0.281 56.853 57.345 -0.352 0.000 1.224 484 W CB 1.658 30.669 29.460 -0.749 0.000 1.256 484 W HN 0.428 nan 8.180 nan 0.000 0.461 485 L N 4.492 125.794 121.223 0.131 0.000 2.346 485 L HA 0.641 5.011 4.340 0.050 0.000 0.274 485 L C -0.562 176.548 176.870 0.399 0.000 1.007 485 L CA -1.116 53.879 54.840 0.258 0.000 0.818 485 L CB 1.540 43.707 42.059 0.181 0.000 1.284 485 L HN 0.448 nan 8.230 nan 0.000 0.424 486 R N 4.247 124.970 120.500 0.371 0.000 2.476 486 R HA 0.663 5.033 4.340 0.050 0.000 0.305 486 R C -1.955 174.431 176.300 0.143 0.000 0.965 486 R CA -0.691 55.536 56.100 0.212 0.000 0.867 486 R CB 1.119 31.457 30.300 0.063 0.000 1.176 486 R HN 0.587 nan 8.270 nan 0.000 0.447 487 L N 3.737 125.014 121.223 0.090 0.000 2.296 487 L HA 0.436 4.805 4.340 0.050 0.000 0.286 487 L C -0.356 176.568 176.870 0.090 0.000 1.023 487 L CA -0.029 54.873 54.840 0.103 0.000 0.812 487 L CB 1.743 43.783 42.059 -0.032 0.000 1.223 487 L HN 0.625 nan 8.230 nan 0.000 0.421 488 E N 4.575 124.858 120.200 0.138 0.000 2.210 488 E HA 0.426 4.806 4.350 0.050 0.000 0.266 488 E C -2.445 174.238 176.600 0.138 0.000 0.883 488 E CA -2.048 54.410 56.400 0.096 0.000 0.761 488 E CB 1.739 31.471 29.700 0.053 0.000 1.156 488 E HN 0.294 nan 8.360 nan 0.000 0.412 489 P HA 0.091 nan 4.420 nan 0.000 0.268 489 P C -1.248 176.111 177.300 0.099 0.000 1.205 489 P CA 0.276 63.446 63.100 0.117 0.000 0.771 489 P CB 0.758 32.498 31.700 0.067 0.000 0.858 490 A N 1.495 124.384 122.820 0.115 0.000 2.601 490 A HA 0.469 4.819 4.320 0.050 0.000 0.291 490 A C 1.056 178.686 177.584 0.077 0.000 1.075 490 A CA 0.077 52.157 52.037 0.072 0.000 0.671 490 A CB 0.339 19.365 19.000 0.043 0.000 1.277 490 A HN 0.407 nan 8.150 nan 0.000 0.417 491 S N -0.003 115.728 115.700 0.051 0.000 2.371 491 S HA 0.052 4.552 4.470 0.050 0.000 0.224 491 S C 0.348 174.986 174.600 0.063 0.000 1.029 491 S CA 1.163 59.398 58.200 0.058 0.000 0.978 491 S CB -0.184 63.038 63.200 0.037 0.000 0.833 491 S HN 0.665 nan 8.310 nan 0.000 0.466 492 E N 0.538 120.760 120.200 0.037 0.000 2.212 492 E HA 0.310 4.689 4.350 0.050 0.000 0.268 492 E C -1.347 175.246 176.600 -0.011 0.000 0.902 492 E CA -0.832 55.589 56.400 0.034 0.000 0.779 492 E CB 1.473 31.187 29.700 0.023 0.000 1.172 492 E HN 0.508 nan 8.360 nan 0.000 0.409 493 Y N 1.067 121.282 120.300 -0.140 0.000 2.497 493 Y HA 0.392 4.972 4.550 0.050 0.000 0.334 493 Y C 0.109 175.900 175.900 -0.182 0.000 1.199 493 Y CA 0.363 58.280 58.100 -0.305 0.000 1.425 493 Y CB 0.882 39.108 38.460 -0.391 0.000 1.291 493 Y HN 0.504 nan 8.280 nan 0.000 0.562 494 G N 5.342 113.380 108.800 -1.269 0.000 2.768 494 G HA2 0.367 4.357 3.960 0.050 0.000 0.297 494 G HA3 0.367 4.357 3.960 0.050 0.000 0.297 494 G C -2.449 172.016 174.900 -0.724 0.000 1.430 494 G CA -0.880 43.709 45.100 -0.851 0.000 1.030 494 G HN 0.627 nan 8.290 nan 0.000 0.553 495 F N 1.501 121.142 119.950 -0.516 0.000 2.410 495 F HA 0.613 5.170 4.527 0.050 0.000 0.349 495 F C 0.113 175.899 175.800 -0.023 0.000 1.117 495 F CA -0.712 57.191 58.000 -0.162 0.000 1.104 495 F CB 1.473 40.485 39.000 0.019 0.000 1.122 495 F HN 0.368 nan 8.300 nan 0.000 0.483 496 E N 7.010 126.893 120.200 -0.528 0.000 2.186 496 E HA 0.020 4.400 4.350 0.050 0.000 0.255 496 E C -1.349 175.035 176.600 -0.359 0.000 0.881 496 E CA -0.581 55.641 56.400 -0.297 0.000 0.752 496 E CB 1.199 30.800 29.700 -0.164 0.000 1.176 496 E HN 0.674 nan 8.360 nan 0.000 0.421 497 W N 5.255 126.340 121.300 -0.359 0.000 2.437 497 W HA 0.146 4.836 4.660 0.050 0.000 0.312 497 W C -0.363 176.105 176.519 -0.085 0.000 1.242 497 W CA -0.343 56.882 57.345 -0.200 0.000 1.340 497 W CB 0.610 30.075 29.460 0.007 0.000 1.327 497 W HN 0.412 nan 8.180 nan 0.000 0.476 498 R N 6.239 126.526 120.500 -0.355 0.000 2.662 498 R HA 0.167 4.536 4.340 0.050 0.000 0.396 498 R C 0.186 176.274 176.300 -0.353 0.000 1.096 498 R CA -0.559 55.398 56.100 -0.239 0.000 1.081 498 R CB 0.009 30.251 30.300 -0.097 0.000 1.382 498 R HN 0.357 nan 8.270 nan 0.000 0.580 499 I N 2.618 122.722 120.570 -0.777 0.000 2.618 499 I HA -0.009 4.191 4.170 0.050 0.000 0.284 499 I C 1.228 177.205 176.117 -0.234 0.000 1.146 499 I CA 0.826 61.758 61.300 -0.614 0.000 1.425 499 I CB 0.656 38.047 38.000 -1.014 0.000 1.383 499 I HN 0.099 nan 8.210 nan 0.000 0.562 500 T N 0.782 115.264 114.554 -0.121 0.000 2.926 500 T HA 0.622 5.002 4.350 0.050 0.000 0.289 500 T C 0.876 175.579 174.700 0.006 0.000 1.054 500 T CA -0.166 61.914 62.100 -0.033 0.000 1.015 500 T CB 1.816 70.667 68.868 -0.027 0.000 1.167 500 T HN 0.963 nan 8.240 nan 0.000 0.526 501 G N -0.030 108.788 108.800 0.029 0.000 2.200 501 G HA2 0.048 4.038 3.960 0.050 0.000 0.268 501 G HA3 0.048 4.038 3.960 0.050 0.000 0.268 501 G C 1.277 176.226 174.900 0.082 0.000 0.986 501 G CA 0.896 46.025 45.100 0.049 0.000 0.677 501 G HN 2.485 nan 8.290 nan 0.000 0.532 502 G N -1.783 107.073 108.800 0.093 0.000 2.179 502 G HA2 -0.085 3.905 3.960 0.050 0.000 0.257 502 G HA3 -0.085 3.905 3.960 0.050 0.000 0.257 502 G C 1.652 176.666 174.900 0.190 0.000 1.010 502 G CA 1.807 46.987 45.100 0.134 0.000 0.736 502 G HN 2.198 nan 8.290 nan 0.000 0.513 503 V N -2.672 117.341 119.914 0.166 0.000 2.867 503 V HA 0.311 4.460 4.120 0.050 0.000 0.260 503 V C 1.157 177.470 176.094 0.365 0.000 1.099 503 V CA 1.689 64.132 62.300 0.239 0.000 1.122 503 V CB -0.309 31.601 31.823 0.145 0.000 0.708 503 V HN 0.593 nan 8.190 nan 0.000 0.490 504 I N 0.793 121.508 120.570 0.241 0.000 2.534 504 I HA 0.441 4.640 4.170 0.050 0.000 0.286 504 I C -2.789 173.418 176.117 0.151 0.000 1.094 504 I CA -1.959 59.459 61.300 0.197 0.000 1.055 504 I CB 2.377 40.481 38.000 0.173 0.000 1.225 504 I HN 0.002 nan 8.210 nan 0.000 0.435 505 P HA 0.006 nan 4.420 nan 0.000 0.267 505 P C 0.864 178.135 177.300 -0.048 0.000 1.200 505 P CA 0.038 63.058 63.100 -0.133 0.000 0.772 505 P CB 0.652 32.111 31.700 -0.401 0.000 0.855 506 S N 2.804 118.461 115.700 -0.073 0.000 2.469 506 S HA -0.201 4.299 4.470 0.050 0.000 0.238 506 S C 1.362 175.721 174.600 -0.402 0.000 0.998 506 S CA 0.980 59.025 58.200 -0.259 0.000 0.957 506 S CB -0.822 62.258 63.200 -0.199 0.000 0.764 506 S HN 0.596 nan 8.310 nan 0.000 0.514 507 K N -0.168 119.999 120.400 -0.388 0.000 2.362 507 K HA -0.056 4.293 4.320 0.050 0.000 0.200 507 K C 0.721 177.052 176.600 -0.449 0.000 1.046 507 K CA 0.954 56.979 56.287 -0.436 0.000 0.952 507 K CB -0.465 31.735 32.500 -0.501 0.000 0.753 507 K HN 0.438 nan 8.250 nan 0.000 0.466 508 Y N 1.650 121.766 120.300 -0.307 0.000 2.457 508 Y HA 0.145 4.724 4.550 0.049 0.000 0.263 508 Y C 2.238 177.940 175.900 -0.330 0.000 1.164 508 Y CA -0.435 57.472 58.100 -0.321 0.000 1.274 508 Y CB -0.016 38.090 38.460 -0.589 0.000 1.097 508 Y HN 0.204 nan 8.280 nan 0.000 0.523 509 Q N 0.814 120.373 119.800 -0.402 0.000 2.084 509 Q HA -0.242 4.127 4.340 0.050 0.000 0.202 509 Q C 2.176 177.996 176.000 -0.299 0.000 0.978 509 Q CA 1.878 57.344 55.803 -0.561 0.000 0.844 509 Q CB 0.041 28.206 28.738 -0.957 0.000 0.898 509 Q HN 0.608 nan 8.270 nan 0.000 0.426 510 E N -0.483 119.566 120.200 -0.252 0.000 2.051 510 E HA -0.219 4.161 4.350 0.050 0.000 0.192 510 E C 1.820 178.336 176.600 -0.140 0.000 0.991 510 E CA 1.042 57.321 56.400 -0.202 0.000 0.799 510 E CB -0.153 29.457 29.700 -0.149 0.000 0.748 510 E HN 0.446 nan 8.360 nan 0.000 0.449 511 A N 1.080 123.871 122.820 -0.048 0.000 1.902 511 A HA -0.162 4.188 4.320 0.050 0.000 0.217 511 A C 2.171 179.777 177.584 0.036 0.000 1.181 511 A CA 1.296 53.348 52.037 0.026 0.000 0.623 511 A CB -0.611 18.473 19.000 0.139 0.000 0.818 511 A HN 0.339 nan 8.150 nan 0.000 0.443 512 I N -0.694 119.914 120.570 0.064 0.000 2.226 512 I HA -0.261 3.939 4.170 0.050 0.000 0.245 512 I C 2.571 178.708 176.117 0.033 0.000 1.100 512 I CA 1.870 63.267 61.300 0.162 0.000 1.374 512 I CB -0.278 37.945 38.000 0.370 0.000 1.057 512 I HN 0.569 nan 8.210 nan 0.000 0.413 513 E N 1.224 121.246 120.200 -0.297 0.000 2.106 513 E HA -0.230 4.150 4.350 0.050 0.000 0.192 513 E C 1.971 178.451 176.600 -0.200 0.000 0.984 513 E CA 1.156 57.229 56.400 -0.545 0.000 0.806 513 E CB 0.063 29.157 29.700 -1.010 0.000 0.750 513 E HN 0.472 nan 8.360 nan 0.000 0.458 514 E N -0.172 119.939 120.200 -0.148 0.000 2.110 514 E HA -0.149 4.230 4.350 0.050 0.000 0.193 514 E C 2.107 178.668 176.600 -0.065 0.000 0.988 514 E CA 0.882 57.224 56.400 -0.096 0.000 0.804 514 E CB -0.221 29.434 29.700 -0.074 0.000 0.745 514 E HN 0.444 nan 8.360 nan 0.000 0.458 515 G N 1.661 110.446 108.800 -0.026 0.000 2.422 515 G HA2 -0.205 3.785 3.960 0.050 0.000 0.218 515 G HA3 -0.205 3.785 3.960 0.050 0.000 0.218 515 G C 1.570 176.463 174.900 -0.012 0.000 1.146 515 G CA 0.345 45.441 45.100 -0.008 0.000 0.769 515 G HN 0.067 nan 8.290 nan 0.000 0.547 516 I N 0.954 121.548 120.570 0.041 0.000 2.202 516 I HA -0.092 4.108 4.170 0.050 0.000 0.242 516 I C 2.605 178.623 176.117 -0.166 0.000 1.091 516 I CA 1.230 62.558 61.300 0.047 0.000 1.368 516 I CB -0.865 37.331 38.000 0.327 0.000 1.058 516 I HN 0.218 nan 8.210 nan 0.000 0.410 517 K N 0.631 120.968 120.400 -0.104 0.000 2.057 517 K HA -0.174 4.176 4.320 0.050 0.000 0.207 517 K C 1.962 178.444 176.600 -0.197 0.000 1.049 517 K CA 1.247 57.429 56.287 -0.176 0.000 0.931 517 K CB -0.091 32.312 32.500 -0.163 0.000 0.714 517 K HN 0.422 nan 8.250 nan 0.000 0.440 518 E N 0.702 120.810 120.200 -0.153 0.000 2.051 518 E HA -0.193 4.187 4.350 0.050 0.000 0.192 518 E C 2.121 178.627 176.600 -0.158 0.000 0.991 518 E CA 1.161 57.483 56.400 -0.129 0.000 0.799 518 E CB -0.174 29.471 29.700 -0.092 0.000 0.748 518 E HN 0.317 nan 8.360 nan 0.000 0.449 519 A N 1.516 124.214 122.820 -0.204 0.000 1.972 519 A HA -0.086 4.263 4.320 0.050 0.000 0.219 519 A C 2.351 179.727 177.584 -0.348 0.000 1.169 519 A CA 1.552 53.464 52.037 -0.208 0.000 0.635 519 A CB -0.506 18.412 19.000 -0.137 0.000 0.810 519 A HN 0.282 nan 8.150 nan 0.000 0.446 520 A N -0.390 122.071 122.820 -0.599 0.000 2.172 520 A HA -0.050 4.300 4.320 0.050 0.000 0.216 520 A C 1.929 179.426 177.584 -0.145 0.000 1.154 520 A CA 1.347 53.093 52.037 -0.484 0.000 0.701 520 A CB -0.350 18.413 19.000 -0.394 0.000 0.789 520 A HN 0.562 nan 8.150 nan 0.000 0.465 521 K N -0.240 120.084 120.400 -0.127 0.000 2.283 521 K HA -0.040 4.310 4.320 0.050 0.000 0.202 521 K C -0.184 176.404 176.600 -0.020 0.000 1.048 521 K CA 0.920 57.170 56.287 -0.061 0.000 0.948 521 K CB 0.003 32.463 32.500 -0.067 0.000 0.742 521 K HN 0.328 nan 8.250 nan 0.000 0.458 522 K N 0.917 121.306 120.400 -0.017 0.000 2.664 522 K HA 0.199 4.549 4.320 0.050 0.000 0.234 522 K C -0.257 176.379 176.600 0.060 0.000 0.980 522 K CA -0.514 55.777 56.287 0.006 0.000 0.996 522 K CB 1.880 34.365 32.500 -0.025 0.000 1.190 522 K HN 0.034 nan 8.250 nan 0.000 0.479 523 G N 0.517 109.382 108.800 0.109 0.000 2.750 523 G HA2 0.051 4.040 3.960 0.050 0.000 0.250 523 G HA3 0.051 4.040 3.960 0.050 0.000 0.250 523 G C 0.928 175.890 174.900 0.103 0.000 1.230 523 G CA -0.521 44.669 45.100 0.150 0.000 0.883 523 G HN 0.293 nan 8.290 nan 0.000 0.573 524 V N 0.578 120.542 119.914 0.083 0.000 2.878 524 V HA -0.033 4.117 4.120 0.050 0.000 0.250 524 V C 2.530 178.646 176.094 0.037 0.000 1.075 524 V CA 0.903 63.227 62.300 0.040 0.000 1.096 524 V CB -0.219 31.605 31.823 0.002 0.000 0.724 524 V HN 0.531 nan 8.190 nan 0.000 0.467 525 L N 1.039 122.296 121.223 0.056 0.000 2.027 525 L HA 0.076 4.445 4.340 0.050 0.000 0.206 525 L C 1.694 178.618 176.870 0.091 0.000 1.074 525 L CA 2.630 57.504 54.840 0.057 0.000 0.745 525 L CB -0.348 41.749 42.059 0.064 0.000 0.898 525 L HN 0.233 nan 8.230 nan 0.000 0.433 526 A N -2.759 120.158 122.820 0.163 0.000 2.665 526 A HA 0.543 4.893 4.320 0.050 0.000 0.268 526 A C 1.202 178.830 177.584 0.074 0.000 1.044 526 A CA 0.390 52.553 52.037 0.210 0.000 0.993 526 A CB -0.221 19.033 19.000 0.424 0.000 1.229 526 A HN 0.836 nan 8.150 nan 0.000 0.576 527 G N -0.878 107.937 108.800 0.026 0.000 2.148 527 G HA2 -0.274 3.716 3.960 0.050 0.000 0.254 527 G HA3 -0.274 3.716 3.960 0.050 0.000 0.254 527 G C -0.034 174.741 174.900 -0.209 0.000 0.981 527 G CA 0.584 45.611 45.100 -0.121 0.000 0.670 527 G HN 0.469 nan 8.290 nan 0.000 0.528 528 F N 0.552 120.543 119.950 0.068 0.000 2.408 528 F HA 0.578 5.134 4.527 0.049 0.000 0.325 528 F C -1.664 174.177 175.800 0.068 0.000 1.082 528 F CA -2.561 55.491 58.000 0.086 0.000 1.032 528 F CB 0.947 40.028 39.000 0.133 0.000 1.259 528 F HN -0.204 nan 8.300 nan 0.000 0.503 529 P HA 0.029 nan 4.420 nan 0.000 0.265 529 P C -0.966 176.418 177.300 0.141 0.000 1.193 529 P CA 0.097 63.276 63.100 0.133 0.000 0.765 529 P CB 0.414 32.166 31.700 0.087 0.000 0.823 530 V N 4.542 124.542 119.914 0.144 0.000 2.539 530 V HA 0.636 4.785 4.120 0.050 0.000 0.292 530 V C 0.481 176.775 176.094 0.334 0.000 1.045 530 V CA -0.212 62.226 62.300 0.229 0.000 0.945 530 V CB 0.926 32.902 31.823 0.254 0.000 0.993 530 V HN 0.590 nan 8.190 nan 0.000 0.464 531 M N 1.270 121.090 119.600 0.367 0.000 2.755 531 M HA 0.821 5.331 4.480 0.050 0.000 0.273 531 M C 0.223 176.771 176.300 0.413 0.000 1.278 531 M CA -0.241 55.254 55.300 0.325 0.000 0.819 531 M CB 2.018 34.650 32.600 0.053 0.000 1.694 531 M HN 1.087 nan 8.290 nan 0.000 0.460 532 G N 1.915 110.866 108.800 0.251 0.000 2.367 532 G HA2 -0.084 3.906 3.960 0.050 0.000 0.295 532 G HA3 -0.084 3.906 3.960 0.050 0.000 0.295 532 G C -0.948 174.158 174.900 0.344 0.000 1.019 532 G CA 0.609 45.841 45.100 0.221 0.000 1.224 532 G HN 1.751 nan 8.290 nan 0.000 0.510 533 F N -1.921 118.145 119.950 0.195 0.000 2.703 533 F HA 0.788 5.345 4.527 0.049 0.000 0.308 533 F C -0.843 175.032 175.800 0.125 0.000 1.126 533 F CA -2.021 56.080 58.000 0.170 0.000 0.959 533 F CB 1.079 40.217 39.000 0.230 0.000 1.297 533 F HN -0.033 nan 8.300 nan 0.000 0.441 534 K N 2.341 122.853 120.400 0.188 0.000 2.185 534 K HA 0.735 5.084 4.320 0.050 0.000 0.269 534 K C -0.765 175.990 176.600 0.259 0.000 0.987 534 K CA -0.654 55.644 56.287 0.018 0.000 0.865 534 K CB 1.851 34.347 32.500 -0.008 0.000 1.090 534 K HN 0.914 nan 8.250 nan 0.000 0.450 535 A N 4.967 127.907 122.820 0.200 0.000 2.273 535 A HA 0.529 4.879 4.320 0.050 0.000 0.320 535 A C -0.216 177.403 177.584 0.059 0.000 1.358 535 A CA -0.667 51.594 52.037 0.373 0.000 0.910 535 A CB -0.209 19.197 19.000 0.676 0.000 1.159 535 A HN 0.692 nan 8.150 nan 0.000 0.526 536 I N 3.435 124.054 120.570 0.081 0.000 2.328 536 I HA 0.250 4.449 4.170 0.050 0.000 0.287 536 I C -0.584 175.593 176.117 0.100 0.000 1.012 536 I CA -0.714 60.582 61.300 -0.006 0.000 1.195 536 I CB 1.820 39.836 38.000 0.028 0.000 1.350 536 I HN 0.258 nan 8.210 nan 0.000 0.464 537 V N 7.581 127.452 119.914 -0.072 0.000 2.334 537 V HA 0.075 4.225 4.120 0.050 0.000 0.267 537 V C 0.072 176.071 176.094 -0.159 0.000 1.040 537 V CA -0.251 62.010 62.300 -0.065 0.000 0.866 537 V CB 0.187 31.977 31.823 -0.056 0.000 1.019 537 V HN 0.740 nan 8.190 nan 0.000 0.468 538 Y N 2.636 122.857 120.300 -0.131 0.000 2.500 538 Y HA 0.532 5.112 4.550 0.049 0.000 0.246 538 Y C 0.292 176.111 175.900 -0.136 0.000 1.146 538 Y CA -0.790 57.211 58.100 -0.166 0.000 1.230 538 Y CB 0.123 38.521 38.460 -0.104 0.000 1.214 538 Y HN 0.567 nan 8.280 nan 0.000 0.526 539 N N -0.927 117.503 118.700 -0.450 0.000 3.348 539 N HA 0.485 5.254 4.740 0.050 0.000 0.233 539 N C -0.854 174.664 175.510 0.013 0.000 1.440 539 N CA -0.085 52.805 53.050 -0.267 0.000 0.887 539 N CB 1.357 39.566 38.487 -0.463 0.000 1.410 539 N HN 0.446 nan 8.380 nan 0.000 0.502 540 G N 0.029 108.925 108.800 0.161 0.000 2.368 540 G HA2 0.403 4.392 3.960 0.050 0.000 0.269 540 G HA3 0.403 4.392 3.960 0.050 0.000 0.269 540 G C -1.827 173.251 174.900 0.297 0.000 1.291 540 G CA 0.191 45.483 45.100 0.320 0.000 0.903 540 G HN 1.271 nan 8.290 nan 0.000 0.483 541 S N -1.664 114.266 115.700 0.384 0.000 2.615 541 S HA 0.832 5.332 4.470 0.050 0.000 0.268 541 S C -1.140 173.843 174.600 0.638 0.000 1.146 541 S CA -0.057 58.401 58.200 0.429 0.000 0.818 541 S CB 1.786 65.159 63.200 0.289 0.000 1.111 541 S HN 2.473 nan 8.310 nan 0.000 0.465 542 Y N -1.216 119.297 120.300 0.356 0.000 2.689 542 Y HA 0.802 5.381 4.550 0.050 0.000 0.333 542 Y C -1.392 174.567 175.900 0.099 0.000 1.190 542 Y CA -1.187 57.140 58.100 0.378 0.000 1.063 542 Y CB 0.650 39.448 38.460 0.563 0.000 1.294 542 Y HN 0.940 nan 8.280 nan 0.000 0.466 543 H N 0.509 119.531 119.070 -0.081 0.000 2.609 543 H HA 0.256 4.842 4.556 0.050 0.000 0.344 543 H C -0.060 175.276 175.328 0.013 0.000 1.040 543 H CA -0.791 55.077 56.048 -0.300 0.000 1.216 543 H CB 2.383 31.958 29.762 -0.312 0.000 1.529 543 H HN 0.839 nan 8.280 nan 0.000 0.519 544 E N 2.258 122.507 120.200 0.082 0.000 2.267 544 E HA -0.123 4.257 4.350 0.050 0.000 0.197 544 E C 1.109 177.820 176.600 0.185 0.000 0.998 544 E CA 1.135 57.699 56.400 0.273 0.000 0.830 544 E CB 0.147 29.956 29.700 0.181 0.000 0.751 544 E HN 0.515 nan 8.360 nan 0.000 0.491 545 V N 0.404 120.379 119.914 0.101 0.000 2.374 545 V HA -0.081 4.069 4.120 0.050 0.000 0.241 545 V C 1.320 177.433 176.094 0.032 0.000 1.034 545 V CA 1.810 64.123 62.300 0.021 0.000 1.037 545 V CB -0.238 31.572 31.823 -0.022 0.000 0.682 545 V HN 0.184 nan 8.190 nan 0.000 0.463 546 D N -0.334 120.143 120.400 0.129 0.000 2.360 546 D HA 0.123 4.792 4.640 0.050 0.000 0.210 546 D C 0.863 177.294 176.300 0.219 0.000 1.047 546 D CA 0.252 54.352 54.000 0.166 0.000 0.854 546 D CB 0.414 41.339 40.800 0.207 0.000 0.936 546 D HN 0.279 nan 8.370 nan 0.000 0.514 547 S N 0.466 116.340 115.700 0.290 0.000 2.565 547 S HA 0.408 4.908 4.470 0.050 0.000 0.276 547 S C 0.447 175.210 174.600 0.272 0.000 1.326 547 S CA -0.382 57.976 58.200 0.264 0.000 1.045 547 S CB 1.164 64.642 63.200 0.465 0.000 0.918 547 S HN 0.287 nan 8.310 nan 0.000 0.505 548 S N 1.451 117.243 115.700 0.154 0.000 2.656 548 S HA 0.406 4.906 4.470 0.050 0.000 0.273 548 S C 0.007 174.755 174.600 0.246 0.000 1.168 548 S CA -0.853 57.508 58.200 0.269 0.000 0.817 548 S CB 0.781 64.091 63.200 0.185 0.000 1.146 548 S HN 0.425 nan 8.310 nan 0.000 0.475 549 D N 0.518 121.109 120.400 0.318 0.000 2.104 549 D HA -0.099 4.571 4.640 0.050 0.000 0.194 549 D C 1.953 178.334 176.300 0.134 0.000 0.994 549 D CA 1.037 55.194 54.000 0.262 0.000 0.830 549 D CB -0.204 40.706 40.800 0.184 0.000 0.959 549 D HN 0.408 nan 8.370 nan 0.000 0.452 550 L N 1.231 122.499 121.223 0.075 0.000 2.012 550 L HA -0.194 4.176 4.340 0.050 0.000 0.210 550 L C 2.223 179.037 176.870 -0.093 0.000 1.073 550 L CA 2.002 56.836 54.840 -0.009 0.000 0.748 550 L CB -0.990 41.067 42.059 -0.002 0.000 0.891 550 L HN -0.066 nan 8.230 nan 0.000 0.431 551 A N -0.425 122.355 122.820 -0.067 0.000 1.883 551 A HA -0.272 4.078 4.320 0.050 0.000 0.217 551 A C 2.067 179.480 177.584 -0.285 0.000 1.186 551 A CA 1.984 53.930 52.037 -0.153 0.000 0.624 551 A CB -1.080 17.852 19.000 -0.113 0.000 0.822 551 A HN 0.497 nan 8.150 nan 0.000 0.444 552 F N -0.112 119.750 119.950 -0.146 0.000 2.259 552 F HA -0.138 4.419 4.527 0.049 0.000 0.298 552 F C 2.788 178.542 175.800 -0.077 0.000 1.088 552 F CA 1.565 59.489 58.000 -0.126 0.000 1.358 552 F CB -0.198 38.709 39.000 -0.154 0.000 1.040 552 F HN 0.285 nan 8.300 nan 0.000 0.505 553 Q N 0.246 120.094 119.800 0.080 0.000 2.050 553 Q HA -0.209 4.160 4.340 0.050 0.000 0.202 553 Q C 2.324 178.290 176.000 -0.057 0.000 0.980 553 Q CA 1.810 57.624 55.803 0.018 0.000 0.840 553 Q CB -0.308 28.419 28.738 -0.019 0.000 0.898 553 Q HN 0.471 nan 8.270 nan 0.000 0.424 554 I N 0.529 120.992 120.570 -0.179 0.000 2.226 554 I HA -0.269 3.931 4.170 0.050 0.000 0.245 554 I C 2.443 178.450 176.117 -0.183 0.000 1.100 554 I CA 0.914 62.044 61.300 -0.284 0.000 1.374 554 I CB -0.426 37.157 38.000 -0.695 0.000 1.057 554 I HN 0.169 nan 8.210 nan 0.000 0.413 555 A N 0.817 123.540 122.820 -0.162 0.000 1.877 555 A HA -0.168 4.182 4.320 0.050 0.000 0.216 555 A C 2.556 180.134 177.584 -0.010 0.000 1.186 555 A CA 1.893 53.867 52.037 -0.104 0.000 0.620 555 A CB -0.851 18.032 19.000 -0.195 0.000 0.822 555 A HN 0.429 nan 8.150 nan 0.000 0.443 556 A N 0.403 123.265 122.820 0.069 0.000 1.877 556 A HA -0.116 4.234 4.320 0.050 0.000 0.216 556 A C 2.526 180.187 177.584 0.127 0.000 1.186 556 A CA 2.505 54.628 52.037 0.144 0.000 0.620 556 A CB -1.074 18.044 19.000 0.196 0.000 0.822 556 A HN 0.927 nan 8.150 nan 0.000 0.443 557 S N 0.345 116.083 115.700 0.063 0.000 2.356 557 S HA -0.137 4.363 4.470 0.050 0.000 0.223 557 S C 1.884 176.533 174.600 0.082 0.000 1.032 557 S CA 1.493 59.730 58.200 0.061 0.000 1.005 557 S CB -0.894 62.300 63.200 -0.011 0.000 0.867 557 S HN 0.428 nan 8.310 nan 0.000 0.449 558 L N 1.427 122.663 121.223 0.022 0.000 2.081 558 L HA -0.141 4.228 4.340 0.050 0.000 0.212 558 L C 3.115 179.992 176.870 0.012 0.000 1.080 558 L CA 1.332 56.176 54.840 0.006 0.000 0.754 558 L CB -0.788 41.255 42.059 -0.026 0.000 0.893 558 L HN 0.504 nan 8.230 nan 0.000 0.433 559 A N -0.660 122.174 122.820 0.023 0.000 1.929 559 A HA -0.222 4.128 4.320 0.050 0.000 0.216 559 A C 2.124 179.738 177.584 0.050 0.000 1.176 559 A CA 1.036 53.076 52.037 0.004 0.000 0.628 559 A CB -0.694 18.308 19.000 0.003 0.000 0.816 559 A HN 0.376 nan 8.150 nan 0.000 0.444 560 F N 0.959 120.911 119.950 0.003 0.000 2.095 560 F HA -0.175 4.382 4.527 0.050 0.000 0.298 560 F C 2.184 177.961 175.800 -0.038 0.000 1.104 560 F CA 2.228 60.226 58.000 -0.004 0.000 1.232 560 F CB -0.103 38.904 39.000 0.012 0.000 0.987 560 F HN 0.112 nan 8.300 nan 0.000 0.475 561 K N 0.157 120.643 120.400 0.142 0.000 2.057 561 K HA -0.177 4.172 4.320 0.050 0.000 0.207 561 K C 2.072 178.633 176.600 -0.065 0.000 1.049 561 K CA 1.699 58.014 56.287 0.046 0.000 0.931 561 K CB -0.202 32.347 32.500 0.082 0.000 0.714 561 K HN 0.272 nan 8.250 nan 0.000 0.440 562 K N 0.548 120.912 120.400 -0.060 0.000 2.026 562 K HA -0.099 4.250 4.320 0.050 0.000 0.208 562 K C 2.123 178.659 176.600 -0.107 0.000 1.048 562 K CA 1.310 57.553 56.287 -0.074 0.000 0.929 562 K CB -0.107 32.350 32.500 -0.072 0.000 0.713 562 K HN -0.062 nan 8.250 nan 0.000 0.439 563 V N 1.749 121.576 119.914 -0.145 0.000 2.358 563 V HA -0.239 3.911 4.120 0.050 0.000 0.246 563 V C 2.351 178.303 176.094 -0.236 0.000 1.047 563 V CA 1.630 63.833 62.300 -0.161 0.000 1.035 563 V CB -0.375 31.360 31.823 -0.146 0.000 0.658 563 V HN 0.388 nan 8.190 nan 0.000 0.452 564 M N 0.696 120.049 119.600 -0.410 0.000 2.159 564 M HA -0.150 4.360 4.480 0.050 0.000 0.263 564 M C 2.061 178.242 176.300 -0.198 0.000 1.063 564 M CA 2.098 57.151 55.300 -0.412 0.000 1.110 564 M CB -0.320 31.920 32.600 -0.601 0.000 1.374 564 M HN 0.308 nan 8.290 nan 0.000 0.411 565 A N 0.040 122.771 122.820 -0.148 0.000 2.131 565 A HA -0.168 4.182 4.320 0.050 0.000 0.220 565 A C 1.545 179.088 177.584 -0.068 0.000 1.158 565 A CA 1.826 53.811 52.037 -0.087 0.000 0.665 565 A CB -0.590 18.371 19.000 -0.066 0.000 0.795 565 A HN 0.759 nan 8.150 nan 0.000 0.460 566 E N -1.468 118.691 120.200 -0.068 0.000 2.603 566 E HA 0.352 4.732 4.350 0.050 0.000 0.211 566 E C 0.829 177.422 176.600 -0.012 0.000 0.995 566 E CA 0.341 56.721 56.400 -0.034 0.000 0.990 566 E CB 0.576 30.262 29.700 -0.024 0.000 1.036 566 E HN 0.493 nan 8.360 nan 0.000 0.475 567 A N 1.061 123.864 122.820 -0.028 0.000 2.379 567 A HA 0.013 4.363 4.320 0.050 0.000 0.236 567 A C 0.321 177.969 177.584 0.106 0.000 1.272 567 A CA -0.059 51.982 52.037 0.007 0.000 0.886 567 A CB -0.240 18.725 19.000 -0.058 0.000 0.962 567 A HN 0.423 nan 8.150 nan 0.000 0.504 568 H N -1.032 118.018 119.070 -0.033 0.000 2.935 568 H HA -0.087 4.498 4.556 0.049 0.000 0.341 568 H C -2.808 172.513 175.328 -0.011 0.000 1.161 568 H CA 0.420 56.458 56.048 -0.017 0.000 1.135 568 H CB -1.297 28.460 29.762 -0.008 0.000 1.605 568 H HN 0.250 nan 8.280 nan 0.000 0.409 569 P HA 0.159 nan 4.420 nan 0.000 0.268 569 P C -0.427 176.925 177.300 0.086 0.000 1.208 569 P CA -0.063 63.065 63.100 0.047 0.000 0.777 569 P CB 0.926 32.625 31.700 -0.002 0.000 0.875 570 V N 3.040 123.014 119.914 0.099 0.000 2.851 570 V HA 0.245 4.395 4.120 0.050 0.000 0.307 570 V C -0.512 175.627 176.094 0.076 0.000 1.129 570 V CA -0.775 61.583 62.300 0.096 0.000 0.932 570 V CB 2.106 34.004 31.823 0.125 0.000 1.024 570 V HN 0.327 nan 8.190 nan 0.000 0.426 571 L N 5.578 126.824 121.223 0.039 0.000 2.305 571 L HA 0.612 4.982 4.340 0.050 0.000 0.281 571 L C -0.565 176.333 176.870 0.047 0.000 1.085 571 L CA 0.537 55.382 54.840 0.008 0.000 0.813 571 L CB 0.650 42.653 42.059 -0.092 0.000 1.157 571 L HN 0.547 nan 8.230 nan 0.000 0.436 572 L N 4.474 125.766 121.223 0.115 0.000 2.313 572 L HA 0.691 5.061 4.340 0.050 0.000 0.268 572 L C -0.366 176.724 176.870 0.367 0.000 1.010 572 L CA -0.749 54.233 54.840 0.237 0.000 0.814 572 L CB 1.829 44.073 42.059 0.308 0.000 1.304 572 L HN 0.706 nan 8.230 nan 0.000 0.441 573 E N 0.297 120.714 120.200 0.361 0.000 2.383 573 E HA 0.548 4.927 4.350 0.050 0.000 0.275 573 E C -2.906 173.636 176.600 -0.097 0.000 0.918 573 E CA -2.353 54.203 56.400 0.260 0.000 0.764 573 E CB 2.291 32.163 29.700 0.285 0.000 1.252 573 E HN 0.151 nan 8.360 nan 0.000 0.449 574 P HA 0.214 nan 4.420 nan 0.000 0.271 574 P C -0.762 176.443 177.300 -0.158 0.000 1.218 574 P CA -0.020 62.773 63.100 -0.512 0.000 0.780 574 P CB 0.536 32.084 31.700 -0.254 0.000 0.901 575 I N 3.079 123.501 120.570 -0.246 0.000 2.478 575 I HA 0.318 4.517 4.170 0.050 0.000 0.287 575 I C -0.620 175.362 176.117 -0.226 0.000 1.042 575 I CA -0.734 60.414 61.300 -0.253 0.000 1.067 575 I CB 1.218 38.852 38.000 -0.610 0.000 1.233 575 I HN 0.276 nan 8.210 nan 0.000 0.431 576 Y N 4.551 124.730 120.300 -0.202 0.000 2.534 576 Y HA 0.565 5.145 4.550 0.049 0.000 0.329 576 Y C 0.262 176.107 175.900 -0.092 0.000 1.154 576 Y CA -0.935 57.094 58.100 -0.118 0.000 1.192 576 Y CB 1.242 39.690 38.460 -0.021 0.000 1.275 576 Y HN 0.425 nan 8.280 nan 0.000 0.491 577 R N 1.997 122.557 120.500 0.101 0.000 2.445 577 R HA 0.585 4.955 4.340 0.050 0.000 0.308 577 R C -1.743 174.631 176.300 0.123 0.000 0.961 577 R CA -0.475 55.669 56.100 0.073 0.000 0.862 577 R CB 0.679 30.995 30.300 0.026 0.000 1.144 577 R HN 0.778 nan 8.270 nan 0.000 0.447 578 L N 3.694 124.981 121.223 0.107 0.000 2.357 578 L HA 0.395 4.765 4.340 0.050 0.000 0.273 578 L C 0.317 177.293 176.870 0.177 0.000 1.080 578 L CA -0.284 54.634 54.840 0.130 0.000 0.803 578 L CB 1.365 43.459 42.059 0.059 0.000 1.174 578 L HN 0.666 nan 8.230 nan 0.000 0.443 579 K N 2.216 122.725 120.400 0.181 0.000 3.301 579 K HA 0.268 4.617 4.320 0.050 0.000 0.170 579 K C -1.043 175.614 176.600 0.095 0.000 1.061 579 K CA -0.339 56.045 56.287 0.161 0.000 0.807 579 K CB 0.745 33.364 32.500 0.198 0.000 0.889 579 K HN 0.324 nan 8.250 nan 0.000 0.564 580 V N 1.929 121.909 119.914 0.110 0.000 3.032 580 V HA -0.013 4.137 4.120 0.050 0.000 0.307 580 V C 0.451 176.573 176.094 0.048 0.000 1.097 580 V CA 0.304 62.679 62.300 0.125 0.000 1.191 580 V CB 0.689 32.607 31.823 0.158 0.000 0.964 580 V HN 0.445 nan 8.190 nan 0.000 0.494 581 L N 3.990 125.247 121.223 0.057 0.000 2.470 581 L HA 0.624 4.994 4.340 0.050 0.000 0.253 581 L C 0.028 176.916 176.870 0.030 0.000 1.163 581 L CA -0.104 54.750 54.840 0.023 0.000 0.932 581 L CB 0.924 42.995 42.059 0.019 0.000 1.213 581 L HN 0.744 nan 8.230 nan 0.000 0.485 582 A N 2.784 125.619 122.820 0.025 0.000 2.325 582 A HA 0.925 5.275 4.320 0.050 0.000 0.333 582 A C -2.472 175.119 177.584 0.011 0.000 1.155 582 A CA -1.615 50.437 52.037 0.025 0.000 0.814 582 A CB 1.099 20.120 19.000 0.034 0.000 1.206 582 A HN 0.257 nan 8.150 nan 0.000 0.482 583 P HA -0.027 nan 4.420 nan 0.000 0.278 583 P C 0.882 178.182 177.300 0.001 0.000 1.268 583 P CA -0.061 63.040 63.100 0.001 0.000 0.813 583 P CB 0.338 32.038 31.700 -0.000 0.000 1.180 584 Q N -0.166 119.633 119.800 -0.002 0.000 1.948 584 Q HA -0.232 4.138 4.340 0.050 0.000 0.205 584 Q C 1.777 177.778 176.000 0.001 0.000 0.992 584 Q CA 1.680 57.482 55.803 -0.002 0.000 0.849 584 Q CB -0.364 28.371 28.738 -0.004 0.000 0.918 584 Q HN 0.529 nan 8.270 nan 0.000 0.421 585 E N -0.025 120.176 120.200 0.001 0.000 2.476 585 E HA -0.032 4.348 4.350 0.050 0.000 0.191 585 E C 0.638 177.242 176.600 0.006 0.000 1.064 585 E CA -0.185 56.217 56.400 0.003 0.000 0.866 585 E CB 0.422 30.123 29.700 0.002 0.000 0.952 585 E HN 0.014 nan 8.360 nan 0.000 0.492 586 R N 0.157 120.662 120.500 0.008 0.000 2.480 586 R HA 0.117 4.487 4.340 0.050 0.000 0.277 586 R C 0.875 177.186 176.300 0.018 0.000 1.008 586 R CA 0.101 56.208 56.100 0.012 0.000 1.090 586 R CB 0.565 30.872 30.300 0.012 0.000 1.234 586 R HN 0.110 nan 8.270 nan 0.000 0.549 587 V N -1.662 118.262 119.914 0.016 0.000 3.263 587 V HA 0.084 4.234 4.120 0.050 0.000 0.248 587 V C 1.990 178.096 176.094 0.021 0.000 1.145 587 V CA 1.349 63.661 62.300 0.019 0.000 1.107 587 V CB 0.341 32.171 31.823 0.012 0.000 0.797 587 V HN 0.310 nan 8.190 nan 0.000 0.467 588 G N -0.336 108.474 108.800 0.017 0.000 2.848 588 G HA2 -0.102 3.887 3.960 0.050 0.000 0.208 588 G HA3 -0.102 3.887 3.960 0.050 0.000 0.208 588 G C 0.891 175.802 174.900 0.020 0.000 1.152 588 G CA 0.620 45.730 45.100 0.017 0.000 0.789 588 G HN 0.518 nan 8.290 nan 0.000 0.531 589 D N -0.282 120.132 120.400 0.023 0.000 2.422 589 D HA 0.034 4.704 4.640 0.050 0.000 0.218 589 D C 2.442 178.766 176.300 0.040 0.000 1.047 589 D CA 0.130 54.145 54.000 0.025 0.000 0.885 589 D CB 0.539 41.350 40.800 0.018 0.000 1.035 589 D HN 0.204 nan 8.370 nan 0.000 0.502 590 V N 1.446 121.390 119.914 0.050 0.000 2.407 590 V HA -0.073 4.077 4.120 0.050 0.000 0.245 590 V C 2.444 178.581 176.094 0.073 0.000 1.041 590 V CA 0.898 63.247 62.300 0.081 0.000 1.040 590 V CB -0.228 31.647 31.823 0.087 0.000 0.671 590 V HN 0.135 nan 8.190 nan 0.000 0.455 591 L N -0.067 121.186 121.223 0.049 0.000 2.552 591 L HA 0.001 4.371 4.340 0.050 0.000 0.227 591 L C 2.361 179.250 176.870 0.032 0.000 1.146 591 L CA 1.063 55.925 54.840 0.038 0.000 0.858 591 L CB -0.268 41.809 42.059 0.030 0.000 0.969 591 L HN 0.356 nan 8.230 nan 0.000 0.451 592 S N -0.551 115.169 115.700 0.034 0.000 2.486 592 S HA -0.122 4.378 4.470 0.050 0.000 0.220 592 S C 1.500 176.119 174.600 0.031 0.000 1.011 592 S CA 0.837 59.054 58.200 0.027 0.000 0.921 592 S CB 0.162 63.376 63.200 0.022 0.000 0.785 592 S HN 0.515 nan 8.310 nan 0.000 0.517 593 D N 1.034 121.463 120.400 0.048 0.000 2.183 593 D HA 0.060 4.730 4.640 0.050 0.000 0.205 593 D C 1.889 178.218 176.300 0.048 0.000 0.962 593 D CA 0.786 54.824 54.000 0.062 0.000 0.849 593 D CB -0.248 40.621 40.800 0.115 0.000 0.978 593 D HN 0.407 nan 8.370 nan 0.000 0.488 594 L N 0.199 121.443 121.223 0.035 0.000 2.127 594 L HA -0.167 4.203 4.340 0.050 0.000 0.211 594 L C 2.494 179.362 176.870 -0.004 0.000 1.089 594 L CA 1.028 55.865 54.840 -0.005 0.000 0.757 594 L CB -0.591 41.462 42.059 -0.009 0.000 0.899 594 L HN 0.188 nan 8.230 nan 0.000 0.434 595 Q N -0.015 119.791 119.800 0.009 0.000 2.181 595 Q HA -0.176 4.194 4.340 0.050 0.000 0.205 595 Q C 2.228 178.232 176.000 0.007 0.000 0.980 595 Q CA 1.540 57.348 55.803 0.009 0.000 0.862 595 Q CB -0.213 28.533 28.738 0.012 0.000 0.905 595 Q HN 0.580 nan 8.270 nan 0.000 0.429 596 A N 0.622 123.447 122.820 0.007 0.000 2.208 596 A HA 0.003 4.353 4.320 0.050 0.000 0.209 596 A C 1.363 178.947 177.584 -0.000 0.000 1.161 596 A CA 0.203 52.243 52.037 0.005 0.000 0.782 596 A CB 0.138 19.142 19.000 0.008 0.000 0.816 596 A HN 0.142 nan 8.150 nan 0.000 0.477 597 R N -0.680 119.814 120.500 -0.010 0.000 2.546 597 R HA 0.247 4.617 4.340 0.050 0.000 0.320 597 R C -0.386 175.899 176.300 -0.025 0.000 1.021 597 R CA -0.348 55.735 56.100 -0.029 0.000 1.088 597 R CB 0.180 30.439 30.300 -0.069 0.000 1.278 597 R HN 0.411 nan 8.270 nan 0.000 0.557 598 R N -0.009 120.487 120.500 -0.006 0.000 3.336 598 R HA -0.159 4.210 4.340 0.050 0.000 0.260 598 R C 0.380 176.678 176.300 -0.004 0.000 1.032 598 R CA 0.388 56.491 56.100 0.005 0.000 0.693 598 R CB -2.072 28.236 30.300 0.014 0.000 1.134 598 R HN 0.435 nan 8.270 nan 0.000 0.433 599 G N 0.284 109.078 108.800 -0.009 0.000 2.510 599 G HA2 0.604 4.594 3.960 0.050 0.000 0.280 599 G HA3 0.604 4.594 3.960 0.050 0.000 0.280 599 G C -0.419 174.485 174.900 0.007 0.000 1.386 599 G CA -0.419 44.674 45.100 -0.011 0.000 1.047 599 G HN 0.268 nan 8.290 nan 0.000 0.527 600 R N -1.069 119.438 120.500 0.012 0.000 2.937 600 R HA 0.163 4.533 4.340 0.050 0.000 0.273 600 R C -1.223 175.095 176.300 0.030 0.000 1.176 600 R CA -0.619 55.494 56.100 0.022 0.000 1.132 600 R CB 0.678 30.994 30.300 0.027 0.000 1.270 600 R HN 0.436 nan 8.270 nan 0.000 0.425 601 I N 6.030 126.620 120.570 0.033 0.000 2.588 601 I HA 0.052 4.251 4.170 0.050 0.000 0.283 601 I C 0.893 177.040 176.117 0.050 0.000 1.119 601 I CA 0.015 61.342 61.300 0.045 0.000 1.419 601 I CB 1.017 39.041 38.000 0.040 0.000 1.394 601 I HN 0.680 nan 8.210 nan 0.000 0.562 602 L N 5.276 126.544 121.223 0.074 0.000 2.781 602 L HA 0.455 4.825 4.340 0.050 0.000 0.245 602 L C 0.698 177.622 176.870 0.090 0.000 1.118 602 L CA -0.063 54.816 54.840 0.064 0.000 0.918 602 L CB 0.535 42.620 42.059 0.044 0.000 1.246 602 L HN 0.842 nan 8.230 nan 0.000 0.526 603 G N 0.385 109.268 108.800 0.139 0.000 2.340 603 G HA2 0.396 4.386 3.960 0.050 0.000 0.300 603 G HA3 0.396 4.386 3.960 0.050 0.000 0.300 603 G C -1.535 173.442 174.900 0.128 0.000 1.488 603 G CA -0.722 44.471 45.100 0.155 0.000 0.878 603 G HN -0.124 nan 8.290 nan 0.000 0.618 604 M N 1.203 120.847 119.600 0.073 0.000 2.150 604 M HA 0.278 4.787 4.480 0.050 0.000 0.255 604 M C -0.700 175.600 176.300 0.000 0.000 0.963 604 M CA -0.393 54.909 55.300 0.003 0.000 1.033 604 M CB 2.342 34.946 32.600 0.007 0.000 2.007 604 M HN 0.500 nan 8.290 nan 0.000 0.462 605 E N 3.372 123.552 120.200 -0.035 0.000 1.814 605 E HA 0.109 4.489 4.350 0.050 0.000 0.264 605 E C -0.587 176.002 176.600 -0.018 0.000 1.179 605 E CA -0.091 56.303 56.400 -0.010 0.000 0.972 605 E CB 0.358 30.055 29.700 -0.006 0.000 1.077 605 E HN 0.519 nan 8.360 nan 0.000 0.417 606 Q N 2.872 122.669 119.800 -0.006 0.000 2.441 606 Q HA 0.134 4.504 4.340 0.050 0.000 0.234 606 Q C -0.564 175.435 176.000 -0.002 0.000 1.078 606 Q CA 0.160 55.959 55.803 -0.006 0.000 0.907 606 Q CB 0.568 29.304 28.738 -0.002 0.000 1.269 606 Q HN 0.395 nan 8.270 nan 0.000 0.502 607 E N 1.419 121.616 120.200 -0.004 0.000 2.145 607 E HA 0.405 4.784 4.350 0.050 0.000 0.262 607 E C 0.475 177.073 176.600 -0.003 0.000 0.883 607 E CA -0.300 56.099 56.400 -0.001 0.000 0.748 607 E CB 1.561 31.262 29.700 0.002 0.000 1.140 607 E HN 0.763 nan 8.360 nan 0.000 0.417 608 G N 3.311 112.109 108.800 -0.003 0.000 2.675 608 G HA2 -0.466 3.524 3.960 0.050 0.000 0.312 608 G HA3 -0.466 3.524 3.960 0.050 0.000 0.312 608 G C 0.870 175.765 174.900 -0.007 0.000 1.186 608 G CA 0.613 45.709 45.100 -0.006 0.000 0.965 608 G HN 0.656 nan 8.290 nan 0.000 0.548 609 A N -0.274 122.541 122.820 -0.010 0.000 1.963 609 A HA 0.717 5.067 4.320 0.050 0.000 0.211 609 A C 1.324 178.902 177.584 -0.010 0.000 1.380 609 A CA 0.929 52.959 52.037 -0.011 0.000 0.690 609 A CB -0.201 18.790 19.000 -0.015 0.000 1.060 609 A HN 0.944 nan 8.150 nan 0.000 0.498 610 L N 2.251 123.468 121.223 -0.010 0.000 2.367 610 L HA 0.329 4.699 4.340 0.050 0.000 0.275 610 L C -0.148 176.715 176.870 -0.012 0.000 1.129 610 L CA -0.287 54.547 54.840 -0.009 0.000 0.839 610 L CB 1.118 43.172 42.059 -0.009 0.000 1.133 610 L HN 0.438 nan 8.230 nan 0.000 0.453 611 S N 2.183 117.875 115.700 -0.014 0.000 2.596 611 S HA 0.547 5.047 4.470 0.050 0.000 0.318 611 S C -0.448 174.127 174.600 -0.042 0.000 1.097 611 S CA -0.943 57.244 58.200 -0.023 0.000 1.080 611 S CB 1.482 64.673 63.200 -0.016 0.000 0.991 611 S HN 0.214 nan 8.310 nan 0.000 0.471 612 V N 2.987 122.856 119.914 -0.075 0.000 2.740 612 V HA 0.233 4.383 4.120 0.050 0.000 0.303 612 V C 0.026 176.007 176.094 -0.188 0.000 1.054 612 V CA -0.312 61.899 62.300 -0.148 0.000 1.106 612 V CB 1.090 32.773 31.823 -0.233 0.000 0.957 612 V HN 0.798 nan 8.190 nan 0.000 0.486 613 V N 4.754 124.557 119.914 -0.185 0.000 2.327 613 V HA 0.307 4.457 4.120 0.050 0.000 0.272 613 V C -0.135 175.904 176.094 -0.093 0.000 1.019 613 V CA -0.721 61.511 62.300 -0.112 0.000 0.814 613 V CB 0.578 32.392 31.823 -0.015 0.000 1.040 613 V HN 0.841 nan 8.190 nan 0.000 0.440 614 H N 2.782 121.875 119.070 0.038 0.000 2.690 614 H HA 0.773 5.359 4.556 0.049 0.000 0.365 614 H C 0.340 175.686 175.328 0.029 0.000 1.142 614 H CA 0.669 56.738 56.048 0.035 0.000 1.417 614 H CB 1.927 31.705 29.762 0.027 0.000 1.446 614 H HN 0.781 nan 8.280 nan 0.000 0.599 615 A N 1.409 124.329 122.820 0.167 0.000 2.524 615 A HA 0.557 4.907 4.320 0.050 0.000 0.303 615 A C -1.169 176.452 177.584 0.061 0.000 1.195 615 A CA -0.642 51.446 52.037 0.085 0.000 0.651 615 A CB 2.117 21.146 19.000 0.047 0.000 1.323 615 A HN 0.653 nan 8.150 nan 0.000 0.479 616 E N -0.794 119.425 120.200 0.032 0.000 2.343 616 E HA 0.516 4.896 4.350 0.050 0.000 0.286 616 E C -2.236 174.363 176.600 -0.002 0.000 0.915 616 E CA -0.361 56.054 56.400 0.024 0.000 0.784 616 E CB 2.244 31.968 29.700 0.040 0.000 1.251 616 E HN 1.237 nan 8.360 nan 0.000 0.407 617 V N 4.171 124.075 119.914 -0.016 0.000 3.120 617 V HA 0.588 4.738 4.120 0.050 0.000 0.303 617 V C -2.827 173.244 176.094 -0.038 0.000 1.238 617 V CA -2.105 60.169 62.300 -0.043 0.000 1.008 617 V CB 2.438 34.201 31.823 -0.099 0.000 1.064 617 V HN 0.538 nan 8.190 nan 0.000 0.434 618 P HA 0.164 nan 4.420 nan 0.000 0.270 618 P C 0.358 177.612 177.300 -0.077 0.000 1.223 618 P CA 0.014 63.090 63.100 -0.041 0.000 0.785 618 P CB 0.638 32.325 31.700 -0.022 0.000 0.923 619 L N 3.066 124.240 121.223 -0.082 0.000 2.179 619 L HA 0.028 4.398 4.340 0.050 0.000 0.208 619 L C 1.942 178.695 176.870 -0.195 0.000 1.096 619 L CA 1.724 56.423 54.840 -0.236 0.000 0.779 619 L CB -1.355 40.581 42.059 -0.205 0.000 0.922 619 L HN 0.366 nan 8.230 nan 0.000 0.443 620 A N -1.060 121.684 122.820 -0.126 0.000 2.216 620 A HA -0.046 4.303 4.320 0.050 0.000 0.214 620 A C 1.779 179.333 177.584 -0.050 0.000 1.160 620 A CA 1.164 53.153 52.037 -0.079 0.000 0.725 620 A CB -0.371 18.637 19.000 0.013 0.000 0.784 620 A HN 0.526 nan 8.150 nan 0.000 0.472 621 E N -0.885 119.272 120.200 -0.072 0.000 2.498 621 E HA 0.095 4.475 4.350 0.050 0.000 0.203 621 E C 0.777 177.320 176.600 -0.095 0.000 1.013 621 E CA 0.882 57.244 56.400 -0.064 0.000 0.927 621 E CB 0.695 30.362 29.700 -0.055 0.000 1.012 621 E HN 0.590 nan 8.360 nan 0.000 0.482 622 V N -1.953 117.880 119.914 -0.137 0.000 3.017 622 V HA 0.272 4.421 4.120 0.050 0.000 0.354 622 V C 1.305 177.341 176.094 -0.097 0.000 1.389 622 V CA -0.146 62.065 62.300 -0.148 0.000 1.163 622 V CB -0.677 30.974 31.823 -0.287 0.000 1.178 622 V HN -0.007 nan 8.190 nan 0.000 0.547 623 L N 0.113 121.290 121.223 -0.077 0.000 2.201 623 L HA 0.165 4.535 4.340 0.050 0.000 0.212 623 L C 1.801 178.724 176.870 0.088 0.000 1.105 623 L CA 1.606 56.421 54.840 -0.042 0.000 0.775 623 L CB -0.014 42.011 42.059 -0.057 0.000 0.913 623 L HN 0.483 nan 8.230 nan 0.000 0.440 624 E N -1.814 118.410 120.200 0.040 0.000 3.157 624 E HA -0.006 4.373 4.350 0.050 0.000 0.203 624 E C 0.269 176.756 176.600 -0.188 0.000 0.982 624 E CA -0.136 56.223 56.400 -0.069 0.000 1.217 624 E CB 0.452 30.049 29.700 -0.173 0.000 1.123 624 E HN 0.311 nan 8.360 nan 0.000 0.457 625 Y N 0.344 120.509 120.300 -0.224 0.000 2.578 625 Y HA -0.181 4.399 4.550 0.049 0.000 0.297 625 Y C 1.585 177.208 175.900 -0.462 0.000 1.176 625 Y CA 0.835 58.721 58.100 -0.355 0.000 1.315 625 Y CB 0.147 38.355 38.460 -0.418 0.000 1.031 625 Y HN 0.271 nan 8.280 nan 0.000 0.524 626 Y N -1.518 118.557 120.300 -0.375 0.000 2.544 626 Y HA 0.261 4.841 4.550 0.049 0.000 0.286 626 Y C 0.810 176.634 175.900 -0.128 0.000 1.141 626 Y CA -0.056 57.944 58.100 -0.165 0.000 1.299 626 Y CB -0.570 37.976 38.460 0.144 0.000 1.030 626 Y HN -0.119 nan 8.280 nan 0.000 0.543 627 K N 0.880 120.889 120.400 -0.652 0.000 2.994 627 K HA 0.605 4.954 4.320 0.050 0.000 0.231 627 K C 0.279 176.680 176.600 -0.332 0.000 1.174 627 K CA 0.412 56.398 56.287 -0.501 0.000 1.221 627 K CB 0.316 32.464 32.500 -0.588 0.000 1.166 627 K HN 0.495 nan 8.250 nan 0.000 0.453 628 A N -0.271 122.342 122.820 -0.344 0.000 1.459 628 A HA -0.034 4.316 4.320 0.050 0.000 0.204 628 A C 1.155 178.530 177.584 -0.350 0.000 1.955 628 A CA -0.349 51.496 52.037 -0.321 0.000 1.576 628 A CB -0.267 18.538 19.000 -0.325 0.000 1.510 628 A HN 0.207 nan 8.150 nan 0.000 0.301 629 L N 1.248 122.124 121.223 -0.577 0.000 1.971 629 L HA -0.079 4.291 4.340 0.050 0.000 0.215 629 L C -0.950 175.845 176.870 -0.125 0.000 1.072 629 L CA 3.321 57.920 54.840 -0.402 0.000 0.758 629 L CB -1.849 39.991 42.059 -0.365 0.000 0.889 629 L HN 0.170 nan 8.230 nan 0.000 0.433 630 P HA -0.084 nan 4.420 nan 0.000 0.221 630 P C 1.060 178.348 177.300 -0.020 0.000 1.145 630 P CA 1.456 64.553 63.100 -0.004 0.000 0.795 630 P CB -0.242 31.471 31.700 0.022 0.000 0.775 631 G N -1.812 106.954 108.800 -0.057 0.000 3.314 631 G HA2 0.162 4.151 3.960 0.050 0.000 0.238 631 G HA3 0.162 4.151 3.960 0.050 0.000 0.238 631 G C 0.763 175.638 174.900 -0.042 0.000 1.184 631 G CA 0.071 45.144 45.100 -0.045 0.000 0.806 631 G HN 0.245 nan 8.290 nan 0.000 0.536 632 L N -0.836 120.363 121.223 -0.040 0.000 3.316 632 L HA 0.134 4.503 4.340 0.050 0.000 0.300 632 L C 1.694 178.562 176.870 -0.004 0.000 1.128 632 L CA 0.680 55.506 54.840 -0.024 0.000 1.111 632 L CB 0.555 42.594 42.059 -0.033 0.000 1.687 632 L HN 0.169 nan 8.230 nan 0.000 0.594 633 T N -2.554 112.000 114.554 0.000 0.000 3.251 633 T HA 0.333 4.713 4.350 0.050 0.000 0.259 633 T C 1.314 176.024 174.700 0.016 0.000 0.998 633 T CA 0.324 62.433 62.100 0.016 0.000 0.905 633 T CB 0.339 69.226 68.868 0.031 0.000 1.067 633 T HN 0.345 nan 8.240 nan 0.000 0.569 634 G N 0.859 109.665 108.800 0.010 0.000 2.233 634 G HA2 -0.036 3.954 3.960 0.050 0.000 0.270 634 G HA3 -0.036 3.954 3.960 0.050 0.000 0.270 634 G C 1.252 176.166 174.900 0.024 0.000 1.011 634 G CA 0.455 45.563 45.100 0.013 0.000 0.762 634 G HN 1.785 nan 8.290 nan 0.000 0.511 635 G N -1.292 107.526 108.800 0.031 0.000 2.257 635 G HA2 0.023 4.013 3.960 0.050 0.000 0.267 635 G HA3 0.023 4.013 3.960 0.050 0.000 0.267 635 G C 1.247 176.184 174.900 0.063 0.000 0.984 635 G CA 1.496 46.629 45.100 0.054 0.000 0.626 635 G HN 2.221 nan 8.290 nan 0.000 0.540 636 A N 0.260 123.104 122.820 0.041 0.000 2.411 636 A HA 0.672 5.021 4.320 0.050 0.000 0.251 636 A C 1.093 178.698 177.584 0.034 0.000 1.317 636 A CA 1.342 53.400 52.037 0.034 0.000 0.904 636 A CB -0.198 18.807 19.000 0.010 0.000 0.993 636 A HN 1.815 nan 8.150 nan 0.000 0.504 637 G N -1.518 107.308 108.800 0.043 0.000 2.620 637 G HA2 0.621 4.611 3.960 0.050 0.000 0.301 637 G HA3 0.621 4.611 3.960 0.050 0.000 0.301 637 G C -0.931 174.005 174.900 0.060 0.000 1.347 637 G CA 0.112 45.240 45.100 0.046 0.000 0.971 637 G HN 0.773 nan 8.290 nan 0.000 0.488 638 A N 0.774 123.628 122.820 0.056 0.000 2.343 638 A HA 0.754 5.104 4.320 0.050 0.000 0.316 638 A C -0.669 176.962 177.584 0.079 0.000 1.104 638 A CA -0.787 51.274 52.037 0.038 0.000 0.768 638 A CB 0.854 19.840 19.000 -0.023 0.000 1.213 638 A HN 1.474 nan 8.150 nan 0.000 0.456 639 Y N 0.255 120.620 120.300 0.109 0.000 2.307 639 Y HA 0.754 5.333 4.550 0.049 0.000 0.324 639 Y C -0.160 175.845 175.900 0.175 0.000 1.238 639 Y CA -0.563 57.657 58.100 0.199 0.000 1.280 639 Y CB 0.978 39.661 38.460 0.372 0.000 1.248 639 Y HN 0.402 nan 8.280 nan 0.000 0.508 640 T N 5.496 120.211 114.554 0.267 0.000 2.881 640 T HA 0.518 4.898 4.350 0.050 0.000 0.291 640 T C -0.993 173.882 174.700 0.292 0.000 0.990 640 T CA -0.585 61.609 62.100 0.157 0.000 0.976 640 T CB 0.643 69.576 68.868 0.107 0.000 0.970 640 T HN 0.655 nan 8.240 nan 0.000 0.438 641 L N 3.349 124.761 121.223 0.314 0.000 2.381 641 L HA 0.620 4.990 4.340 0.050 0.000 0.274 641 L C -0.236 176.874 176.870 0.399 0.000 0.988 641 L CA -0.618 54.429 54.840 0.345 0.000 0.824 641 L CB 1.869 44.124 42.059 0.326 0.000 1.263 641 L HN 0.589 nan 8.230 nan 0.000 0.410 642 E N 2.288 122.739 120.200 0.420 0.000 2.356 642 E HA 0.279 4.659 4.350 0.050 0.000 0.275 642 E C -1.389 175.166 176.600 -0.075 0.000 0.904 642 E CA -0.886 55.676 56.400 0.270 0.000 0.757 642 E CB 3.090 32.864 29.700 0.124 0.000 1.232 642 E HN 0.276 nan 8.360 nan 0.000 0.442 643 F N 1.824 121.377 119.950 -0.662 0.000 2.572 643 F HA 0.037 4.594 4.527 0.050 0.000 0.370 643 F C 0.977 176.523 175.800 -0.423 0.000 1.103 643 F CA 0.906 58.280 58.000 -1.042 0.000 1.286 643 F CB 1.165 39.725 39.000 -0.732 0.000 1.105 643 F HN 0.396 nan 8.300 nan 0.000 0.583 644 S N 3.728 118.669 115.700 -1.265 0.000 3.066 644 S HA 0.235 4.735 4.470 0.050 0.000 0.235 644 S C -0.455 173.567 174.600 -0.963 0.000 0.995 644 S CA 0.556 58.291 58.200 -0.776 0.000 0.835 644 S CB -0.185 62.840 63.200 -0.292 0.000 0.814 644 S HN 0.898 nan 8.310 nan 0.000 0.594 645 H N -1.960 116.415 119.070 -1.157 0.000 2.935 645 H HA 0.338 4.923 4.556 0.050 0.000 0.297 645 H C -1.974 173.260 175.328 -0.157 0.000 1.423 645 H CA -0.731 54.987 56.048 -0.549 0.000 1.161 645 H CB -0.211 29.429 29.762 -0.203 0.000 1.841 645 H HN 0.255 nan 8.280 nan 0.000 0.506 646 Y N 0.273 120.648 120.300 0.125 0.000 2.374 646 Y HA 0.681 5.261 4.550 0.049 0.000 0.322 646 Y C 0.606 176.595 175.900 0.149 0.000 1.275 646 Y CA 0.781 58.966 58.100 0.141 0.000 1.307 646 Y CB 1.721 40.312 38.460 0.217 0.000 1.282 646 Y HN 0.971 nan 8.280 nan 0.000 0.509 647 A N 0.502 123.481 122.820 0.266 0.000 2.610 647 A HA 0.464 4.814 4.320 0.050 0.000 0.291 647 A C -1.498 176.189 177.584 0.171 0.000 1.086 647 A CA -1.064 51.098 52.037 0.208 0.000 0.677 647 A CB 0.935 20.025 19.000 0.151 0.000 1.278 647 A HN 0.693 nan 8.150 nan 0.000 0.414 648 E N 0.787 121.064 120.200 0.128 0.000 2.366 648 E HA 0.312 4.691 4.350 0.050 0.000 0.266 648 E C -0.435 176.200 176.600 0.060 0.000 1.015 648 E CA -0.294 56.161 56.400 0.090 0.000 0.906 648 E CB 0.857 30.596 29.700 0.065 0.000 0.979 648 E HN 0.363 nan 8.360 nan 0.000 0.443 649 V N 6.114 126.054 119.914 0.043 0.000 2.493 649 V HA -0.001 4.149 4.120 0.050 0.000 0.292 649 V C -1.954 174.124 176.094 -0.026 0.000 1.016 649 V CA -1.232 61.076 62.300 0.013 0.000 1.097 649 V CB -0.090 31.700 31.823 -0.054 0.000 0.947 649 V HN 0.599 nan 8.190 nan 0.000 0.479 650 P HA 0.013 nan 4.420 nan 0.000 0.259 650 P C -1.843 175.332 177.300 -0.209 0.000 1.163 650 P CA -0.605 62.425 63.100 -0.117 0.000 0.760 650 P CB 0.006 31.678 31.700 -0.045 0.000 0.762 651 P HA -0.310 nan 4.420 nan 0.000 0.226 651 P C 1.227 178.423 177.300 -0.173 0.000 1.154 651 P CA 1.808 64.768 63.100 -0.233 0.000 0.901 651 P CB -0.302 31.242 31.700 -0.260 0.000 0.788 652 H N -1.130 117.941 119.070 0.001 0.000 2.251 652 H HA -0.099 4.487 4.556 0.049 0.000 0.294 652 H C 2.174 177.495 175.328 -0.011 0.000 1.078 652 H CA 1.294 57.340 56.048 -0.002 0.000 1.246 652 H CB -1.374 28.390 29.762 0.002 0.000 1.358 652 H HN 0.169 nan 8.280 nan 0.000 0.488 653 L N 0.353 121.640 121.223 0.107 0.000 2.056 653 L HA -0.086 4.284 4.340 0.050 0.000 0.207 653 L C 3.036 179.879 176.870 -0.044 0.000 1.078 653 L CA 0.810 55.668 54.840 0.030 0.000 0.749 653 L CB -0.705 41.372 42.059 0.031 0.000 0.901 653 L HN 0.228 nan 8.230 nan 0.000 0.433 654 A N 0.051 122.831 122.820 -0.066 0.000 1.881 654 A HA -0.379 3.971 4.320 0.050 0.000 0.219 654 A C 2.288 179.825 177.584 -0.078 0.000 1.215 654 A CA 2.548 54.525 52.037 -0.099 0.000 0.648 654 A CB -0.883 18.072 19.000 -0.076 0.000 0.832 654 A HN 0.532 nan 8.150 nan 0.000 0.455 655 Q N -0.752 119.024 119.800 -0.040 0.000 2.084 655 Q HA -0.226 4.144 4.340 0.050 0.000 0.202 655 Q C 2.344 178.334 176.000 -0.017 0.000 0.978 655 Q CA 1.678 57.468 55.803 -0.021 0.000 0.844 655 Q CB -0.123 28.614 28.738 -0.002 0.000 0.898 655 Q HN 0.721 nan 8.270 nan 0.000 0.426 656 R N 0.055 120.549 120.500 -0.011 0.000 2.080 656 R HA -0.161 4.209 4.340 0.050 0.000 0.236 656 R C 2.403 178.691 176.300 -0.020 0.000 1.137 656 R CA 1.903 58.000 56.100 -0.005 0.000 0.943 656 R CB -0.561 29.743 30.300 0.007 0.000 0.846 656 R HN 0.344 nan 8.270 nan 0.000 0.431 657 I N 0.519 121.047 120.570 -0.069 0.000 2.163 657 I HA -0.272 3.928 4.170 0.050 0.000 0.243 657 I C 2.368 178.466 176.117 -0.032 0.000 1.085 657 I CA 1.203 62.439 61.300 -0.107 0.000 1.347 657 I CB -0.397 37.387 38.000 -0.361 0.000 1.044 657 I HN -0.012 nan 8.210 nan 0.000 0.408 658 V N 0.593 120.485 119.914 -0.037 0.000 2.332 658 V HA -0.323 3.827 4.120 0.050 0.000 0.248 658 V C 2.465 178.581 176.094 0.036 0.000 1.055 658 V CA 1.903 64.218 62.300 0.025 0.000 1.038 658 V CB -0.832 30.993 31.823 0.004 0.000 0.651 658 V HN 0.497 nan 8.190 nan 0.000 0.450 659 Q N -0.277 119.533 119.800 0.017 0.000 2.020 659 Q HA -0.241 4.129 4.340 0.050 0.000 0.202 659 Q C 2.307 178.324 176.000 0.027 0.000 0.982 659 Q CA 1.965 57.779 55.803 0.018 0.000 0.838 659 Q CB -0.264 28.480 28.738 0.012 0.000 0.899 659 Q HN 0.712 nan 8.270 nan 0.000 0.423 660 E N 0.498 120.719 120.200 0.035 0.000 2.021 660 E HA -0.217 4.163 4.350 0.050 0.000 0.200 660 E C 2.170 178.801 176.600 0.052 0.000 1.015 660 E CA 0.750 57.177 56.400 0.045 0.000 0.824 660 E CB -0.160 29.575 29.700 0.058 0.000 0.762 660 E HN 0.147 nan 8.360 nan 0.000 0.454 661 R N 0.243 120.793 120.500 0.083 0.000 2.103 661 R HA -0.163 4.207 4.340 0.050 0.000 0.242 661 R C 2.151 178.463 176.300 0.021 0.000 1.142 661 R CA 1.474 57.614 56.100 0.066 0.000 0.960 661 R CB -0.585 29.796 30.300 0.135 0.000 0.858 661 R HN 0.221 nan 8.270 nan 0.000 0.439 662 A N 0.574 123.411 122.820 0.029 0.000 1.872 662 A HA -0.153 4.197 4.320 0.050 0.000 0.214 662 A C 2.045 179.633 177.584 0.007 0.000 1.187 662 A CA 0.995 53.040 52.037 0.013 0.000 0.614 662 A CB -0.422 18.588 19.000 0.016 0.000 0.826 662 A HN 0.380 nan 8.150 nan 0.000 0.442 663 Q N -0.213 119.595 119.800 0.012 0.000 2.207 663 Q HA -0.229 4.141 4.340 0.050 0.000 0.215 663 Q C -0.038 175.965 176.000 0.004 0.000 1.006 663 Q CA 1.854 57.662 55.803 0.009 0.000 0.903 663 Q CB -0.198 28.548 28.738 0.013 0.000 0.947 663 Q HN 0.823 nan 8.270 nan 0.000 0.414 664 E N -2.436 117.765 120.200 0.002 0.000 2.456 664 E HA 0.691 5.071 4.350 0.050 0.000 0.276 664 E C -0.660 175.934 176.600 -0.010 0.000 0.981 664 E CA -0.483 55.915 56.400 -0.003 0.000 0.814 664 E CB 2.208 31.908 29.700 -0.001 0.000 1.382 664 E HN 0.156 nan 8.360 nan 0.000 0.459 665 G N 0.000 108.792 108.800 -0.013 0.000 5.446 665 G HA2 0.000 3.990 3.960 0.050 0.000 0.244 665 G HA3 0.000 3.990 3.960 0.050 0.000 0.244 665 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 665 G HN 0.000 nan 8.290 nan 0.000 0.925