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 1e0t_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKKTKIVCTI GPKTESEEML AKMLDAGMNV MRLNFSHGDY AEHGQRIQNL DATA SEQUENCE RNVMSKTGKT AAILLDTKGP EIRTMKLEGG NDVSLKAGQT FTFTTDKSVI DATA SEQUENCE GNSEMVAVTY EGFTTDLSVG NTVLVDDGLI GMEVTAIEGN KVICKVLNNG DATA SEQUENCE DLGENKGVNL PGVSIALPAL AEKDKQDLIF GCEQGVDFVA ASFIRKRSDV DATA SEQUENCE IEIREHLKAH GGENIHIISK IENQEGLNNF DEILEASDGI MVARGDLGVE DATA SEQUENCE IPVEEVIFAQ KMMIEKCIRA RKVVITATMX XXXXXXXXRP TDAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGEXXXXXX PLEAVSIMAT ICERTDRVMN SRLEXXXXXX DATA SEQUENCE XXXITEAVCR GAVETAEKLD APLIVVATQG GKSARAVRKY FPDATILALT DATA SEQUENCE TNEKTAHQLV LSKGVVPQLV KEITSTDDFY RLGKELALQS GLAHKGDVVV DATA SEQUENCE MVSGALVPSG TTNTASVHVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.315 55.300 0.024 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 K N 1.228 121.643 120.400 0.024 0.000 2.098 2 K HA 0.542 4.862 4.320 -0.000 0.000 0.257 2 K C -0.375 176.240 176.600 0.026 0.000 0.999 2 K CA -0.805 55.498 56.287 0.026 0.000 0.924 2 K CB 1.872 34.387 32.500 0.024 0.000 1.028 2 K HN 0.823 nan 8.250 nan 0.000 0.466 3 K N 0.431 120.847 120.400 0.028 0.000 2.365 3 K HA 0.064 4.384 4.320 -0.000 0.000 0.195 3 K C -0.178 176.433 176.600 0.017 0.000 1.079 3 K CA 0.142 56.442 56.287 0.022 0.000 0.979 3 K CB 0.674 33.188 32.500 0.024 0.000 0.929 3 K HN 0.625 nan 8.250 nan 0.000 0.523 4 T N 3.024 117.593 114.554 0.024 0.000 2.901 4 T HA 0.097 4.447 4.350 -0.000 0.000 0.301 4 T C 0.102 174.811 174.700 0.015 0.000 1.012 4 T CA -0.119 61.993 62.100 0.021 0.000 1.135 4 T CB 0.781 69.667 68.868 0.031 0.000 0.936 4 T HN -0.117 nan 8.240 nan 0.000 0.539 5 K N 2.866 123.270 120.400 0.008 0.000 2.218 5 K HA 0.409 4.729 4.320 -0.000 0.000 0.276 5 K C 0.001 176.605 176.600 0.006 0.000 1.022 5 K CA -0.281 56.011 56.287 0.008 0.000 0.946 5 K CB 0.997 33.498 32.500 0.002 0.000 1.000 5 K HN 0.539 nan 8.250 nan 0.000 0.468 6 I N 2.084 122.661 120.570 0.012 0.000 2.377 6 I HA 0.195 4.365 4.170 -0.000 0.000 0.293 6 I C -0.335 175.789 176.117 0.012 0.000 0.987 6 I CA -1.185 60.122 61.300 0.012 0.000 1.185 6 I CB 1.821 39.831 38.000 0.017 0.000 1.341 6 I HN 0.028 nan 8.210 nan 0.000 0.455 7 V N 5.563 125.482 119.914 0.008 0.000 2.370 7 V HA 0.283 4.403 4.120 -0.000 0.000 0.283 7 V C -0.338 175.771 176.094 0.024 0.000 1.023 7 V CA -0.467 61.841 62.300 0.013 0.000 0.857 7 V CB 1.323 33.147 31.823 0.001 0.000 0.985 7 V HN 0.800 nan 8.190 nan 0.000 0.443 8 C N 3.560 122.881 119.300 0.034 0.000 2.303 8 C HA 0.532 4.992 4.460 -0.000 0.000 0.326 8 C C 0.880 175.901 174.990 0.051 0.000 1.285 8 C CA -0.655 58.386 59.018 0.038 0.000 1.675 8 C CB 0.755 28.517 27.740 0.036 0.000 2.289 8 C HN 0.857 nan 8.230 nan 0.000 0.512 9 T N 5.142 119.728 114.554 0.054 0.000 2.814 9 T HA 0.316 4.665 4.350 -0.000 0.000 0.297 9 T C 0.250 174.991 174.700 0.068 0.000 0.956 9 T CA -0.040 62.103 62.100 0.071 0.000 1.123 9 T CB 0.110 69.022 68.868 0.073 0.000 0.902 9 T HN 0.362 nan 8.240 nan 0.000 0.528 10 I N 2.932 123.553 120.570 0.084 0.000 2.428 10 I HA 0.632 4.802 4.170 -0.000 0.000 0.296 10 I C 0.896 177.052 176.117 0.065 0.000 0.985 10 I CA -0.323 61.020 61.300 0.072 0.000 1.260 10 I CB 1.056 39.102 38.000 0.077 0.000 1.389 10 I HN 0.769 nan 8.210 nan 0.000 0.484 11 G N 5.401 114.222 108.800 0.035 0.000 2.766 11 G HA2 0.559 4.519 3.960 -0.000 0.000 0.288 11 G HA3 0.559 4.519 3.960 -0.000 0.000 0.288 11 G C -2.552 172.346 174.900 -0.004 0.000 1.408 11 G CA -0.896 44.210 45.100 0.009 0.000 0.852 11 G HN 0.281 nan 8.290 nan 0.000 0.487 12 P HA -0.103 nan 4.420 nan 0.000 0.216 12 P C 2.101 179.391 177.300 -0.016 0.000 1.157 12 P CA 2.997 66.081 63.100 -0.027 0.000 0.880 12 P CB 0.188 31.863 31.700 -0.042 0.000 0.791 13 K N -0.728 119.663 120.400 -0.015 0.000 2.515 13 K HA -0.004 4.316 4.320 -0.000 0.000 0.196 13 K C 1.460 178.060 176.600 -0.001 0.000 1.038 13 K CA 1.855 58.137 56.287 -0.009 0.000 0.967 13 K CB -1.569 30.925 32.500 -0.011 0.000 0.780 13 K HN 0.500 nan 8.250 nan 0.000 0.483 14 T N -2.844 111.713 114.554 0.004 0.000 3.130 14 T HA 0.090 4.440 4.350 -0.000 0.000 0.288 14 T C 1.248 175.959 174.700 0.018 0.000 0.936 14 T CA 0.387 62.495 62.100 0.012 0.000 0.897 14 T CB 0.130 69.008 68.868 0.017 0.000 1.178 14 T HN 0.663 nan 8.240 nan 0.000 0.543 15 E N 2.114 122.323 120.200 0.015 0.000 2.427 15 E HA 0.066 4.416 4.350 -0.000 0.000 0.196 15 E C 1.026 177.638 176.600 0.019 0.000 1.028 15 E CA 0.219 56.632 56.400 0.022 0.000 0.864 15 E CB -0.228 29.483 29.700 0.019 0.000 0.813 15 E HN 0.555 nan 8.360 nan 0.000 0.514 16 S N 0.916 116.624 115.700 0.013 0.000 2.573 16 S HA -0.019 4.451 4.470 -0.000 0.000 0.277 16 S C 0.829 175.438 174.600 0.015 0.000 1.346 16 S CA -0.374 57.834 58.200 0.012 0.000 1.034 16 S CB 1.252 64.457 63.200 0.008 0.000 0.879 16 S HN 0.242 nan 8.310 nan 0.000 0.528 17 E N 1.241 121.450 120.200 0.015 0.000 2.204 17 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 17 E C 1.444 178.052 176.600 0.014 0.000 0.990 17 E CA 1.353 57.763 56.400 0.016 0.000 0.821 17 E CB -0.110 29.599 29.700 0.015 0.000 0.750 17 E HN 0.738 nan 8.360 nan 0.000 0.477 18 E N 0.076 120.283 120.200 0.012 0.000 2.216 18 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 18 E C 1.647 178.254 176.600 0.011 0.000 0.988 18 E CA 0.662 57.068 56.400 0.011 0.000 0.834 18 E CB 0.001 29.706 29.700 0.008 0.000 0.772 18 E HN 0.108 nan 8.360 nan 0.000 0.479 19 M N -0.354 119.253 119.600 0.012 0.000 2.248 19 M HA 0.095 4.575 4.480 -0.000 0.000 0.265 19 M C 1.631 177.940 176.300 0.016 0.000 1.079 19 M CA 1.138 56.446 55.300 0.013 0.000 1.150 19 M CB -0.067 32.539 32.600 0.011 0.000 1.366 19 M HN 0.068 nan 8.290 nan 0.000 0.433 20 L N -0.635 120.599 121.223 0.019 0.000 1.994 20 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 20 L C 2.439 179.321 176.870 0.021 0.000 1.071 20 L CA 1.435 56.288 54.840 0.022 0.000 0.745 20 L CB -1.132 40.942 42.059 0.025 0.000 0.892 20 L HN 0.361 nan 8.230 nan 0.000 0.431 21 A N -0.280 122.551 122.820 0.019 0.000 2.015 21 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 21 A C 2.275 179.869 177.584 0.017 0.000 1.163 21 A CA 1.427 53.475 52.037 0.018 0.000 0.646 21 A CB -0.305 18.705 19.000 0.016 0.000 0.806 21 A HN 0.343 nan 8.150 nan 0.000 0.448 22 K N -0.817 119.593 120.400 0.016 0.000 2.103 22 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 22 K C 2.028 178.637 176.600 0.016 0.000 1.052 22 K CA 1.310 57.606 56.287 0.014 0.000 0.945 22 K CB -0.239 32.269 32.500 0.013 0.000 0.722 22 K HN 0.479 nan 8.250 nan 0.000 0.443 23 M N 0.766 120.376 119.600 0.018 0.000 2.086 23 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 23 M C 2.187 178.499 176.300 0.021 0.000 1.067 23 M CA 1.606 56.918 55.300 0.019 0.000 1.116 23 M CB -0.497 32.116 32.600 0.022 0.000 1.348 23 M HN 0.137 nan 8.290 nan 0.000 0.407 24 L N -0.177 121.059 121.223 0.022 0.000 2.083 24 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 24 L C 1.873 178.756 176.870 0.022 0.000 1.083 24 L CA 1.001 55.855 54.840 0.024 0.000 0.752 24 L CB -0.870 41.204 42.059 0.025 0.000 0.899 24 L HN 0.276 nan 8.230 nan 0.000 0.433 25 D N 0.089 120.501 120.400 0.019 0.000 2.224 25 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 25 D C 2.199 178.510 176.300 0.018 0.000 0.965 25 D CA 1.242 55.253 54.000 0.018 0.000 0.852 25 D CB 0.119 40.928 40.800 0.016 0.000 0.947 25 D HN 0.298 nan 8.370 nan 0.000 0.494 26 A N -0.325 122.505 122.820 0.017 0.000 1.929 26 A HA 0.271 4.591 4.320 -0.000 0.000 0.216 26 A C 1.919 179.514 177.584 0.018 0.000 1.176 26 A CA 1.956 54.003 52.037 0.017 0.000 0.628 26 A CB 0.007 19.016 19.000 0.016 0.000 0.816 26 A HN 0.327 nan 8.150 nan 0.000 0.444 27 G N -2.617 106.195 108.800 0.020 0.000 3.658 27 G HA2 0.006 3.966 3.960 -0.000 0.000 0.220 27 G HA3 0.006 3.966 3.960 -0.000 0.000 0.220 27 G C 0.308 175.222 174.900 0.023 0.000 0.917 27 G CA 0.074 45.187 45.100 0.021 0.000 0.865 27 G HN 0.453 nan 8.290 nan 0.000 0.652 28 M N 0.963 120.577 119.600 0.024 0.000 2.247 28 M HA 0.290 4.770 4.480 -0.000 0.000 0.318 28 M C 0.830 177.149 176.300 0.031 0.000 1.054 28 M CA 1.342 56.658 55.300 0.027 0.000 1.117 28 M CB 0.282 32.900 32.600 0.029 0.000 1.515 28 M HN 0.172 nan 8.290 nan 0.000 0.442 29 N N 1.468 120.189 118.700 0.034 0.000 2.104 29 N HA 0.252 4.992 4.740 -0.000 0.000 0.227 29 N C -1.452 174.091 175.510 0.055 0.000 1.321 29 N CA -0.319 52.757 53.050 0.042 0.000 0.877 29 N CB 1.353 39.863 38.487 0.038 0.000 1.117 29 N HN 0.364 nan 8.380 nan 0.000 0.486 30 V N 1.250 121.194 119.914 0.051 0.000 3.012 30 V HA 0.393 4.513 4.120 -0.000 0.000 0.307 30 V C -1.248 174.884 176.094 0.063 0.000 1.166 30 V CA -0.730 61.611 62.300 0.069 0.000 0.974 30 V CB 2.608 34.470 31.823 0.063 0.000 1.040 30 V HN 0.106 nan 8.190 nan 0.000 0.428 31 M N 4.044 123.689 119.600 0.076 0.000 2.149 31 M HA 0.574 5.054 4.480 -0.000 0.000 0.342 31 M C -0.336 176.022 176.300 0.098 0.000 1.068 31 M CA -0.563 54.784 55.300 0.079 0.000 0.991 31 M CB 0.957 33.605 32.600 0.079 0.000 1.596 31 M HN 0.769 nan 8.290 nan 0.000 0.439 32 R N 5.675 126.231 120.500 0.093 0.000 2.221 32 R HA 0.484 4.824 4.340 -0.000 0.000 0.327 32 R C -1.744 174.640 176.300 0.140 0.000 1.033 32 R CA -0.370 55.792 56.100 0.105 0.000 0.887 32 R CB 0.629 30.978 30.300 0.081 0.000 1.057 32 R HN 0.816 nan 8.270 nan 0.000 0.455 33 L N 4.666 125.996 121.223 0.178 0.000 2.264 33 L HA 0.261 4.601 4.340 -0.000 0.000 0.287 33 L C -0.169 176.859 176.870 0.263 0.000 1.039 33 L CA -0.785 54.196 54.840 0.235 0.000 0.829 33 L CB 1.220 43.478 42.059 0.331 0.000 1.211 33 L HN 0.604 nan 8.230 nan 0.000 0.427 34 N N 2.882 121.709 118.700 0.211 0.000 2.439 34 N HA 0.089 4.829 4.740 -0.000 0.000 0.243 34 N C 0.433 176.025 175.510 0.137 0.000 1.088 34 N CA -0.143 53.022 53.050 0.192 0.000 0.940 34 N CB 0.397 38.984 38.487 0.165 0.000 1.180 34 N HN 0.286 nan 8.380 nan 0.000 0.505 35 F N 1.130 121.043 119.950 -0.061 0.000 2.773 35 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 35 F C 2.097 177.842 175.800 -0.092 0.000 1.204 35 F CA 0.311 58.271 58.000 -0.067 0.000 1.454 35 F CB -0.164 38.789 39.000 -0.079 0.000 1.117 35 F HN 0.442 nan 8.300 nan 0.000 0.590 36 S N -1.495 114.138 115.700 -0.111 0.000 2.515 36 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 36 S C 0.376 174.480 174.600 -0.827 0.000 0.987 36 S CA 0.599 58.526 58.200 -0.456 0.000 0.936 36 S CB -0.251 62.559 63.200 -0.651 0.000 0.766 36 S HN 0.365 nan 8.310 nan 0.000 0.528 37 H N -2.012 117.043 119.070 -0.023 0.000 2.950 37 H HA 0.475 5.031 4.556 -0.000 0.000 0.272 37 H C 0.637 175.873 175.328 -0.153 0.000 1.495 37 H CA -0.309 55.692 56.048 -0.079 0.000 1.183 37 H CB 0.410 30.132 29.762 -0.066 0.000 1.867 37 H HN 0.257 nan 8.280 nan 0.000 0.597 38 G N 0.708 109.454 108.800 -0.089 0.000 2.692 38 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.248 38 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.248 38 G C -0.776 173.847 174.900 -0.461 0.000 1.340 38 G CA 0.644 45.519 45.100 -0.376 0.000 0.896 38 G HN 1.039 nan 8.290 nan 0.000 0.570 39 D N -3.146 116.881 120.400 -0.622 0.000 2.664 39 D HA 0.510 5.150 4.640 -0.000 0.000 0.292 39 D C 0.708 176.758 176.300 -0.416 0.000 1.214 39 D CA -0.691 52.989 54.000 -0.534 0.000 0.932 39 D CB -0.157 40.425 40.800 -0.363 0.000 1.420 39 D HN 0.298 nan 8.370 nan 0.000 0.471 40 Y N -0.089 120.056 120.300 -0.259 0.000 2.333 40 Y HA 0.116 4.666 4.550 -0.000 0.000 0.290 40 Y C 2.482 178.375 175.900 -0.011 0.000 1.144 40 Y CA 1.187 59.089 58.100 -0.331 0.000 1.228 40 Y CB -1.190 37.104 38.460 -0.277 0.000 0.985 40 Y HN 0.579 nan 8.280 nan 0.000 0.542 41 A N 0.156 123.025 122.820 0.080 0.000 1.872 41 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 41 A C 2.103 179.726 177.584 0.065 0.000 1.187 41 A CA 1.494 53.587 52.037 0.093 0.000 0.614 41 A CB -0.498 18.519 19.000 0.028 0.000 0.826 41 A HN 0.460 nan 8.150 nan 0.000 0.442 42 E N -0.819 119.348 120.200 -0.056 0.000 2.015 42 E HA -0.164 4.185 4.350 -0.000 0.000 0.191 42 E C 2.074 178.652 176.600 -0.036 0.000 0.991 42 E CA 1.218 57.553 56.400 -0.109 0.000 0.802 42 E CB -0.384 29.143 29.700 -0.288 0.000 0.759 42 E HN 0.645 nan 8.360 nan 0.000 0.447 43 H N 0.041 119.123 119.070 0.019 0.000 2.290 43 H HA -0.090 4.466 4.556 -0.000 0.000 0.298 43 H C 2.362 177.874 175.328 0.307 0.000 1.087 43 H CA 1.578 57.704 56.048 0.130 0.000 1.291 43 H CB -0.847 28.994 29.762 0.132 0.000 1.369 43 H HN 0.322 nan 8.280 nan 0.000 0.492 44 G N 0.321 109.482 108.800 0.601 0.000 2.442 44 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.219 44 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.219 44 G C 1.808 176.843 174.900 0.226 0.000 1.141 44 G CA 1.070 46.443 45.100 0.456 0.000 0.763 44 G HN 0.330 nan 8.290 nan 0.000 0.554 45 Q N 0.218 120.122 119.800 0.174 0.000 2.079 45 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 45 Q C 2.548 178.604 176.000 0.095 0.000 0.974 45 Q CA 1.367 57.231 55.803 0.102 0.000 0.840 45 Q CB -0.320 28.454 28.738 0.061 0.000 0.898 45 Q HN 0.400 nan 8.270 nan 0.000 0.430 46 R N -0.398 120.172 120.500 0.118 0.000 2.105 46 R HA -0.047 4.293 4.340 -0.000 0.000 0.239 46 R C 1.870 178.238 176.300 0.114 0.000 1.135 46 R CA 1.541 57.709 56.100 0.114 0.000 0.967 46 R CB -0.303 30.093 30.300 0.161 0.000 0.861 46 R HN 0.405 nan 8.270 nan 0.000 0.442 47 I N -0.626 120.026 120.570 0.137 0.000 2.584 47 I HA -0.132 4.038 4.170 -0.000 0.000 0.255 47 I C 2.169 178.316 176.117 0.051 0.000 1.145 47 I CA 0.495 61.850 61.300 0.091 0.000 1.462 47 I CB -0.149 37.902 38.000 0.086 0.000 1.102 47 I HN 0.218 nan 8.210 nan 0.000 0.433 48 Q N 1.840 121.676 119.800 0.060 0.000 1.975 48 Q HA -0.231 4.109 4.340 -0.000 0.000 0.205 48 Q C 1.860 177.876 176.000 0.028 0.000 0.990 48 Q CA 2.122 57.946 55.803 0.036 0.000 0.845 48 Q CB -0.212 28.551 28.738 0.041 0.000 0.913 48 Q HN 0.372 nan 8.270 nan 0.000 0.420 49 N N 0.071 118.792 118.700 0.035 0.000 2.258 49 N HA -0.179 4.561 4.740 -0.000 0.000 0.187 49 N C 1.497 177.021 175.510 0.023 0.000 1.012 49 N CA 1.133 54.199 53.050 0.027 0.000 0.870 49 N CB -0.404 38.100 38.487 0.029 0.000 0.977 49 N HN 0.264 nan 8.380 nan 0.000 0.434 50 L N 1.499 122.738 121.223 0.025 0.000 2.034 50 L HA 0.011 4.351 4.340 -0.000 0.000 0.203 50 L C 2.148 179.020 176.870 0.002 0.000 1.074 50 L CA 1.466 56.316 54.840 0.017 0.000 0.748 50 L CB -0.406 41.664 42.059 0.019 0.000 0.905 50 L HN -0.062 nan 8.230 nan 0.000 0.439 51 R N 0.183 120.678 120.500 -0.008 0.000 2.103 51 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 51 R C 1.998 178.296 176.300 -0.002 0.000 1.142 51 R CA 1.505 57.593 56.100 -0.020 0.000 0.960 51 R CB -1.485 28.801 30.300 -0.024 0.000 0.858 51 R HN 0.495 nan 8.270 nan 0.000 0.439 52 N N 0.665 119.369 118.700 0.005 0.000 2.025 52 N HA -0.133 4.607 4.740 -0.000 0.000 0.194 52 N C 2.024 177.541 175.510 0.011 0.000 1.044 52 N CA 1.366 54.422 53.050 0.009 0.000 0.851 52 N CB -0.751 37.743 38.487 0.012 0.000 1.036 52 N HN -0.027 nan 8.380 nan 0.000 0.422 53 V N 1.898 121.819 119.914 0.012 0.000 2.370 53 V HA -0.294 3.826 4.120 -0.000 0.000 0.252 53 V C 2.307 178.410 176.094 0.015 0.000 1.068 53 V CA 1.610 63.918 62.300 0.014 0.000 1.061 53 V CB -0.566 31.267 31.823 0.016 0.000 0.656 53 V HN 0.325 nan 8.190 nan 0.000 0.455 54 M N -0.575 119.033 119.600 0.014 0.000 2.086 54 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 54 M C 2.471 178.785 176.300 0.023 0.000 1.067 54 M CA 2.051 57.364 55.300 0.020 0.000 1.116 54 M CB -0.610 32.000 32.600 0.018 0.000 1.348 54 M HN 0.327 nan 8.290 nan 0.000 0.407 55 S N 0.759 116.470 115.700 0.019 0.000 2.359 55 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 55 S C 2.308 176.917 174.600 0.016 0.000 1.038 55 S CA 2.182 60.393 58.200 0.018 0.000 1.051 55 S CB -0.676 62.532 63.200 0.014 0.000 0.944 55 S HN 0.603 nan 8.310 nan 0.000 0.433 56 K N 0.862 121.270 120.400 0.014 0.000 2.574 56 K HA -0.001 4.319 4.320 -0.000 0.000 0.193 56 K C 1.549 178.157 176.600 0.014 0.000 1.035 56 K CA 1.569 57.864 56.287 0.013 0.000 0.982 56 K CB -1.071 31.436 32.500 0.012 0.000 0.795 56 K HN 0.733 nan 8.250 nan 0.000 0.491 57 T N -7.293 107.270 114.554 0.016 0.000 3.147 57 T HA 0.349 4.699 4.350 -0.000 0.000 0.275 57 T C 1.680 176.391 174.700 0.019 0.000 0.879 57 T CA 1.010 63.120 62.100 0.016 0.000 0.863 57 T CB 0.193 69.072 68.868 0.017 0.000 1.236 57 T HN 1.331 nan 8.240 nan 0.000 0.582 58 G N 2.216 111.029 108.800 0.022 0.000 2.162 58 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 58 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 58 G C 0.003 174.921 174.900 0.030 0.000 0.976 58 G CA 0.407 45.521 45.100 0.024 0.000 0.655 58 G HN 0.721 nan 8.290 nan 0.000 0.533 59 K N 0.924 121.343 120.400 0.031 0.000 2.319 59 K HA 0.446 4.766 4.320 -0.000 0.000 0.265 59 K C 0.456 177.086 176.600 0.049 0.000 1.000 59 K CA 0.667 56.975 56.287 0.035 0.000 0.943 59 K CB 0.444 32.962 32.500 0.030 0.000 0.950 59 K HN 0.220 nan 8.250 nan 0.000 0.485 60 T N 0.297 114.886 114.554 0.058 0.000 2.940 60 T HA 0.736 5.086 4.350 -0.000 0.000 0.288 60 T C -0.809 173.938 174.700 0.078 0.000 1.033 60 T CA -0.947 61.209 62.100 0.093 0.000 1.033 60 T CB 1.810 70.745 68.868 0.110 0.000 1.079 60 T HN 0.680 nan 8.240 nan 0.000 0.496 61 A N 0.438 123.306 122.820 0.080 0.000 2.590 61 A HA 0.797 5.117 4.320 -0.000 0.000 0.294 61 A C -1.111 176.488 177.584 0.025 0.000 1.046 61 A CA -0.655 51.413 52.037 0.051 0.000 0.684 61 A CB 0.603 19.619 19.000 0.027 0.000 1.279 61 A HN 1.220 nan 8.150 nan 0.000 0.415 62 A N 0.498 123.359 122.820 0.068 0.000 2.313 62 A HA 0.949 5.268 4.320 -0.000 0.000 0.323 62 A C -0.696 176.936 177.584 0.079 0.000 1.133 62 A CA -0.597 51.488 52.037 0.080 0.000 0.847 62 A CB 0.786 19.932 19.000 0.244 0.000 1.308 62 A HN 1.058 nan 8.150 nan 0.000 0.475 63 I N 0.639 121.259 120.570 0.082 0.000 2.512 63 I HA 0.298 4.467 4.170 -0.000 0.000 0.287 63 I C -1.017 175.196 176.117 0.159 0.000 1.069 63 I CA -0.116 61.241 61.300 0.096 0.000 1.056 63 I CB 1.829 39.844 38.000 0.026 0.000 1.229 63 I HN 0.570 nan 8.210 nan 0.000 0.429 64 L N 7.029 128.364 121.223 0.186 0.000 2.282 64 L HA 0.564 4.904 4.340 -0.000 0.000 0.288 64 L C -0.937 176.010 176.870 0.128 0.000 1.033 64 L CA -0.636 54.319 54.840 0.192 0.000 0.807 64 L CB 1.498 43.652 42.059 0.159 0.000 1.209 64 L HN 0.569 nan 8.230 nan 0.000 0.423 65 L N 4.959 126.231 121.223 0.082 0.000 2.289 65 L HA 0.432 4.772 4.340 -0.000 0.000 0.285 65 L C -0.955 175.925 176.870 0.015 0.000 1.049 65 L CA -0.395 54.443 54.840 -0.004 0.000 0.804 65 L CB 1.259 43.213 42.059 -0.175 0.000 1.195 65 L HN 0.587 nan 8.230 nan 0.000 0.428 66 D N 3.039 123.483 120.400 0.073 0.000 2.278 66 D HA 0.244 4.883 4.640 -0.000 0.000 0.245 66 D C -0.596 175.745 176.300 0.068 0.000 1.052 66 D CA -0.149 53.894 54.000 0.073 0.000 0.834 66 D CB 1.966 42.826 40.800 0.100 0.000 1.194 66 D HN 0.451 nan 8.370 nan 0.000 0.481 67 T N 2.897 117.471 114.554 0.033 0.000 2.919 67 T HA 0.047 4.397 4.350 -0.000 0.000 0.302 67 T C 1.341 176.068 174.700 0.044 0.000 1.031 67 T CA -0.113 62.005 62.100 0.030 0.000 1.127 67 T CB 1.233 70.105 68.868 0.007 0.000 0.952 67 T HN 0.404 nan 8.240 nan 0.000 0.540 68 K N 2.265 122.692 120.400 0.044 0.000 2.021 68 K HA 0.188 4.508 4.320 -0.000 0.000 0.205 68 K C 0.926 177.518 176.600 -0.014 0.000 1.047 68 K CA 1.060 57.347 56.287 0.000 0.000 0.943 68 K CB -0.398 32.093 32.500 -0.015 0.000 0.725 68 K HN 0.937 nan 8.250 nan 0.000 0.439 69 G N 1.145 109.942 108.800 -0.006 0.000 2.699 69 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 69 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 69 G C -2.811 172.059 174.900 -0.050 0.000 1.301 69 G CA -0.461 44.635 45.100 -0.006 0.000 0.816 69 G HN 0.222 nan 8.290 nan 0.000 0.595 70 P HA 0.491 nan 4.420 nan 0.000 0.274 70 P C -0.123 177.055 177.300 -0.203 0.000 1.256 70 P CA 0.236 63.282 63.100 -0.089 0.000 0.795 70 P CB 1.120 32.790 31.700 -0.049 0.000 1.038 71 E N -0.698 119.383 120.200 -0.198 0.000 2.429 71 E HA 0.483 4.833 4.350 -0.000 0.000 0.280 71 E C -0.999 175.488 176.600 -0.188 0.000 1.068 71 E CA -0.684 55.561 56.400 -0.258 0.000 0.837 71 E CB 1.376 30.962 29.700 -0.190 0.000 1.357 71 E HN 0.306 nan 8.360 nan 0.000 0.455 72 I N 1.382 121.843 120.570 -0.180 0.000 2.433 72 I HA 0.543 4.713 4.170 -0.000 0.000 0.292 72 I C -0.401 175.676 176.117 -0.067 0.000 1.001 72 I CA -0.525 60.741 61.300 -0.057 0.000 1.119 72 I CB 1.533 39.541 38.000 0.013 0.000 1.289 72 I HN 0.240 nan 8.210 nan 0.000 0.438 73 R N 2.362 122.836 120.500 -0.044 0.000 2.707 73 R HA 0.485 4.825 4.340 -0.000 0.000 0.272 73 R C -0.856 175.423 176.300 -0.035 0.000 1.011 73 R CA -0.857 55.215 56.100 -0.046 0.000 0.893 73 R CB 2.490 32.771 30.300 -0.032 0.000 1.233 73 R HN 0.700 nan 8.270 nan 0.000 0.464 74 T N -0.655 113.897 114.554 -0.004 0.000 2.899 74 T HA 0.403 4.753 4.350 -0.000 0.000 0.295 74 T C 0.748 175.466 174.700 0.031 0.000 1.033 74 T CA -0.442 61.688 62.100 0.050 0.000 1.084 74 T CB 0.892 69.827 68.868 0.111 0.000 0.979 74 T HN 0.374 nan 8.240 nan 0.000 0.532 75 M N 0.335 119.957 119.600 0.037 0.000 2.319 75 M HA 0.442 4.922 4.480 -0.000 0.000 0.215 75 M C 0.410 176.723 176.300 0.020 0.000 0.664 75 M CA -1.124 54.189 55.300 0.022 0.000 1.851 75 M CB 0.258 32.866 32.600 0.014 0.000 1.122 75 M HN 0.297 nan 8.290 nan 0.000 0.902 76 K N 2.129 122.536 120.400 0.012 0.000 2.326 76 K HA 0.446 4.766 4.320 -0.000 0.000 0.275 76 K C -0.905 175.700 176.600 0.009 0.000 1.018 76 K CA 0.164 56.456 56.287 0.008 0.000 0.962 76 K CB 0.312 32.813 32.500 0.002 0.000 0.953 76 K HN 0.429 nan 8.250 nan 0.000 0.475 77 L N 2.010 123.239 121.223 0.010 0.000 2.331 77 L HA 0.286 4.626 4.340 -0.000 0.000 0.275 77 L C 0.555 177.427 176.870 0.002 0.000 1.022 77 L CA -0.879 53.967 54.840 0.010 0.000 0.812 77 L CB 1.404 43.474 42.059 0.019 0.000 1.257 77 L HN 0.500 nan 8.230 nan 0.000 0.435 78 E N 1.109 121.308 120.200 -0.001 0.000 2.465 78 E HA 0.075 4.425 4.350 -0.000 0.000 0.260 78 E C 0.947 177.546 176.600 -0.002 0.000 0.980 78 E CA 0.922 57.319 56.400 -0.005 0.000 0.927 78 E CB 0.356 30.051 29.700 -0.009 0.000 0.934 78 E HN 0.871 nan 8.360 nan 0.000 0.459 79 G N 2.911 111.709 108.800 -0.004 0.000 2.186 79 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.266 79 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.266 79 G C 0.945 175.844 174.900 -0.002 0.000 0.982 79 G CA 0.528 45.626 45.100 -0.003 0.000 0.670 79 G HN 1.273 nan 8.290 nan 0.000 0.533 80 G N -1.288 107.512 108.800 -0.001 0.000 2.187 80 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.261 80 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.261 80 G C 0.104 175.005 174.900 0.002 0.000 1.000 80 G CA 0.756 45.857 45.100 0.001 0.000 0.718 80 G HN 1.080 nan 8.290 nan 0.000 0.519 81 N N 0.654 119.356 118.700 0.003 0.000 2.498 81 N HA 0.396 5.136 4.740 -0.000 0.000 0.287 81 N C -0.909 174.605 175.510 0.007 0.000 1.097 81 N CA -0.889 52.163 53.050 0.004 0.000 0.973 81 N CB 0.698 39.187 38.487 0.002 0.000 1.153 81 N HN 0.062 nan 8.380 nan 0.000 0.472 82 D N 1.241 121.644 120.400 0.006 0.000 2.389 82 D HA 0.113 4.753 4.640 -0.000 0.000 0.247 82 D C -0.082 176.224 176.300 0.010 0.000 1.128 82 D CA -0.118 53.886 54.000 0.007 0.000 0.884 82 D CB 1.030 41.832 40.800 0.002 0.000 1.194 82 D HN 0.144 nan 8.370 nan 0.000 0.441 83 V N -0.459 119.466 119.914 0.018 0.000 2.547 83 V HA 0.633 4.753 4.120 -0.000 0.000 0.299 83 V C 0.075 176.177 176.094 0.014 0.000 1.040 83 V CA -0.824 61.490 62.300 0.025 0.000 0.913 83 V CB 1.859 33.714 31.823 0.053 0.000 0.992 83 V HN 0.358 nan 8.190 nan 0.000 0.449 84 S N 5.242 120.950 115.700 0.012 0.000 2.457 84 S HA 0.687 5.157 4.470 -0.000 0.000 0.289 84 S C -0.312 174.290 174.600 0.004 0.000 1.163 84 S CA -0.521 57.679 58.200 0.001 0.000 1.078 84 S CB 0.768 63.969 63.200 0.001 0.000 0.987 84 S HN 0.661 nan 8.310 nan 0.000 0.482 85 L N 2.773 123.983 121.223 -0.021 0.000 2.295 85 L HA 0.615 4.955 4.340 -0.000 0.000 0.285 85 L C 0.468 177.330 176.870 -0.014 0.000 1.035 85 L CA -0.745 54.081 54.840 -0.023 0.000 0.806 85 L CB 0.779 42.772 42.059 -0.110 0.000 1.214 85 L HN 0.625 nan 8.230 nan 0.000 0.426 86 K N 2.234 122.639 120.400 0.007 0.000 2.138 86 K HA 0.819 5.139 4.320 -0.000 0.000 0.263 86 K C 0.193 176.800 176.600 0.012 0.000 0.965 86 K CA -0.113 56.179 56.287 0.008 0.000 0.868 86 K CB 1.425 33.933 32.500 0.014 0.000 1.083 86 K HN 0.766 nan 8.250 nan 0.000 0.443 87 A N 0.172 122.997 122.820 0.008 0.000 2.577 87 A HA 0.450 4.770 4.320 -0.000 0.000 0.233 87 A C 1.954 179.552 177.584 0.022 0.000 1.076 87 A CA 1.218 53.263 52.037 0.013 0.000 0.767 87 A CB -0.872 18.134 19.000 0.010 0.000 1.017 87 A HN 2.509 nan 8.150 nan 0.000 0.511 88 G N -0.148 108.668 108.800 0.027 0.000 2.366 88 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.263 88 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.263 88 G C 0.586 175.511 174.900 0.041 0.000 0.986 88 G CA 1.437 46.557 45.100 0.033 0.000 0.632 88 G HN 1.671 nan 8.290 nan 0.000 0.555 89 Q N 0.340 120.167 119.800 0.044 0.000 2.584 89 Q HA 0.500 4.840 4.340 -0.000 0.000 0.235 89 Q C -0.010 176.037 176.000 0.078 0.000 1.079 89 Q CA 0.659 56.495 55.803 0.055 0.000 0.977 89 Q CB 0.316 29.091 28.738 0.062 0.000 1.293 89 Q HN 0.225 nan 8.270 nan 0.000 0.553 90 T N 1.103 115.702 114.554 0.076 0.000 2.922 90 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 90 T C -1.309 173.476 174.700 0.141 0.000 1.005 90 T CA -0.308 61.844 62.100 0.087 0.000 1.061 90 T CB 0.387 69.279 68.868 0.040 0.000 1.007 90 T HN 0.463 nan 8.240 nan 0.000 0.502 91 F N 0.600 120.527 119.950 -0.039 0.000 2.650 91 F HA 0.488 5.015 4.527 -0.000 0.000 0.310 91 F C -0.892 174.832 175.800 -0.127 0.000 1.112 91 F CA -0.411 57.520 58.000 -0.114 0.000 0.986 91 F CB 1.902 40.817 39.000 -0.141 0.000 1.285 91 F HN 0.496 nan 8.300 nan 0.000 0.440 92 T N 4.764 118.905 114.554 -0.689 0.000 2.900 92 T HA 0.594 4.944 4.350 -0.000 0.000 0.295 92 T C -1.401 172.973 174.700 -0.543 0.000 1.044 92 T CA -0.377 61.509 62.100 -0.356 0.000 0.995 92 T CB 1.261 69.962 68.868 -0.280 0.000 1.072 92 T HN 0.292 nan 8.240 nan 0.000 0.473 93 F N 1.243 121.214 119.950 0.035 0.000 2.458 93 F HA 0.687 5.214 4.527 -0.000 0.000 0.330 93 F C 0.853 176.662 175.800 0.015 0.000 1.082 93 F CA -0.546 57.479 58.000 0.043 0.000 0.995 93 F CB 2.165 41.247 39.000 0.135 0.000 1.170 93 F HN 0.402 nan 8.300 nan 0.000 0.478 94 T N 0.210 114.851 114.554 0.145 0.000 2.909 94 T HA 0.258 4.608 4.350 -0.000 0.000 0.299 94 T C 0.449 175.188 174.700 0.066 0.000 1.073 94 T CA -0.404 61.749 62.100 0.088 0.000 0.999 94 T CB 1.560 70.440 68.868 0.019 0.000 1.098 94 T HN 0.614 nan 8.240 nan 0.000 0.477 95 T N 2.623 117.217 114.554 0.066 0.000 3.148 95 T HA 0.093 4.443 4.350 -0.000 0.000 0.253 95 T C 0.217 174.928 174.700 0.018 0.000 1.134 95 T CA 0.365 62.489 62.100 0.039 0.000 1.051 95 T CB -0.309 68.581 68.868 0.036 0.000 0.959 95 T HN 0.592 nan 8.240 nan 0.000 0.525 96 D N 1.252 121.661 120.400 0.015 0.000 2.339 96 D HA 0.153 4.793 4.640 -0.000 0.000 0.241 96 D C 1.059 177.361 176.300 0.003 0.000 1.183 96 D CA -0.162 53.841 54.000 0.005 0.000 0.859 96 D CB 0.878 41.677 40.800 -0.001 0.000 1.067 96 D HN 0.062 nan 8.370 nan 0.000 0.484 97 K N 1.656 122.058 120.400 0.004 0.000 2.211 97 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 97 K C 1.893 178.493 176.600 -0.000 0.000 1.050 97 K CA 1.101 57.391 56.287 0.004 0.000 0.945 97 K CB -0.047 32.458 32.500 0.008 0.000 0.732 97 K HN 0.481 nan 8.250 nan 0.000 0.451 98 S N 1.238 116.937 115.700 -0.002 0.000 2.368 98 S HA -0.068 4.402 4.470 -0.000 0.000 0.225 98 S C 1.165 175.759 174.600 -0.010 0.000 1.030 98 S CA 0.272 58.469 58.200 -0.005 0.000 0.999 98 S CB -0.782 62.415 63.200 -0.005 0.000 0.844 98 S HN -0.006 nan 8.310 nan 0.000 0.459 99 V N 4.095 124.001 119.914 -0.014 0.000 2.539 99 V HA 0.027 4.147 4.120 -0.000 0.000 0.300 99 V C 0.257 176.337 176.094 -0.024 0.000 1.019 99 V CA 0.054 62.340 62.300 -0.023 0.000 1.160 99 V CB -0.687 31.116 31.823 -0.032 0.000 0.901 99 V HN 0.412 nan 8.190 nan 0.000 0.481 100 I N 5.370 125.925 120.570 -0.025 0.000 2.301 100 I HA 0.340 4.509 4.170 -0.000 0.000 0.292 100 I C 1.187 177.284 176.117 -0.034 0.000 1.046 100 I CA 0.163 61.450 61.300 -0.022 0.000 1.282 100 I CB 0.186 38.176 38.000 -0.017 0.000 1.409 100 I HN 0.720 nan 8.210 nan 0.000 0.484 101 G N 6.030 114.811 108.800 -0.033 0.000 2.593 101 G HA2 0.274 4.234 3.960 -0.000 0.000 0.279 101 G HA3 0.274 4.234 3.960 -0.000 0.000 0.279 101 G C 0.047 174.923 174.900 -0.040 0.000 1.329 101 G CA 0.044 45.112 45.100 -0.053 0.000 1.036 101 G HN 0.859 nan 8.290 nan 0.000 0.555 102 N N -5.017 113.659 118.700 -0.040 0.000 3.439 102 N HA 0.061 4.801 4.740 -0.000 0.000 0.285 102 N C 0.619 176.142 175.510 0.021 0.000 1.386 102 N CA 0.197 53.239 53.050 -0.012 0.000 0.824 102 N CB 0.058 38.524 38.487 -0.035 0.000 1.632 102 N HN 0.539 nan 8.380 nan 0.000 0.421 103 S N -1.765 113.958 115.700 0.039 0.000 2.537 103 S HA -0.059 4.411 4.470 -0.000 0.000 0.240 103 S C 0.533 175.170 174.600 0.061 0.000 0.981 103 S CA 1.317 59.580 58.200 0.104 0.000 0.948 103 S CB -0.466 62.773 63.200 0.065 0.000 0.759 103 S HN 0.575 nan 8.310 nan 0.000 0.531 104 E N -0.027 120.097 120.200 -0.126 0.000 2.413 104 E HA 0.480 4.830 4.350 -0.000 0.000 0.203 104 E C 0.233 176.409 176.600 -0.707 0.000 0.957 104 E CA 0.179 56.413 56.400 -0.276 0.000 0.950 104 E CB 0.655 30.251 29.700 -0.173 0.000 0.957 104 E HN 0.656 nan 8.360 nan 0.000 0.497 105 M N -0.305 118.845 119.600 -0.750 0.000 2.755 105 M HA 0.368 4.848 4.480 -0.000 0.000 0.276 105 M C -2.208 173.766 176.300 -0.544 0.000 1.129 105 M CA -0.667 54.063 55.300 -0.951 0.000 0.832 105 M CB 1.797 34.099 32.600 -0.496 0.000 1.700 105 M HN -0.176 nan 8.290 nan 0.000 0.518 106 V N 2.341 121.979 119.914 -0.459 0.000 2.891 106 V HA 0.909 5.029 4.120 -0.000 0.000 0.304 106 V C -0.854 175.217 176.094 -0.038 0.000 1.171 106 V CA -0.079 62.148 62.300 -0.122 0.000 0.943 106 V CB 2.087 33.955 31.823 0.074 0.000 1.037 106 V HN 1.105 nan 8.190 nan 0.000 0.427 107 A N 4.912 127.731 122.820 -0.001 0.000 2.322 107 A HA 0.814 5.134 4.320 -0.000 0.000 0.269 107 A C -0.205 177.402 177.584 0.039 0.000 1.094 107 A CA 0.043 52.095 52.037 0.024 0.000 0.807 107 A CB 1.180 20.182 19.000 0.003 0.000 1.047 107 A HN 1.766 nan 8.150 nan 0.000 0.487 108 V N -0.514 119.395 119.914 -0.008 0.000 2.732 108 V HA 0.598 4.718 4.120 -0.000 0.000 0.310 108 V C 1.117 177.198 176.094 -0.021 0.000 1.053 108 V CA 0.136 62.387 62.300 -0.082 0.000 0.957 108 V CB 0.710 32.311 31.823 -0.370 0.000 1.018 108 V HN 1.170 nan 8.190 nan 0.000 0.452 109 T N -1.016 113.540 114.554 0.003 0.000 2.915 109 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 109 T C 0.677 175.450 174.700 0.122 0.000 1.071 109 T CA 1.359 63.488 62.100 0.048 0.000 1.132 109 T CB -0.455 68.438 68.868 0.041 0.000 0.878 109 T HN 0.820 nan 8.240 nan 0.000 0.479 110 Y N 2.667 122.968 120.300 0.000 0.000 2.535 110 Y HA 0.390 4.940 4.550 -0.000 0.000 0.349 110 Y C 1.246 177.214 175.900 0.112 0.000 0.992 110 Y CA -2.210 55.929 58.100 0.064 0.000 1.248 110 Y CB 0.558 39.081 38.460 0.106 0.000 1.124 110 Y HN 0.252 nan 8.280 nan 0.000 0.520 111 E N 3.279 123.387 120.200 -0.154 0.000 2.130 111 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 111 E C 1.677 178.021 176.600 -0.427 0.000 0.998 111 E CA 1.396 57.669 56.400 -0.212 0.000 0.806 111 E CB -0.217 29.429 29.700 -0.090 0.000 0.738 111 E HN 1.003 nan 8.360 nan 0.000 0.459 112 G N -0.472 107.749 108.800 -0.965 0.000 2.990 112 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.206 112 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.206 112 G C 0.885 175.396 174.900 -0.649 0.000 1.169 112 G CA -0.225 44.403 45.100 -0.786 0.000 0.819 112 G HN 0.286 nan 8.290 nan 0.000 0.517 113 F N 2.370 121.920 119.950 -0.667 0.000 2.161 113 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 113 F C 2.907 178.660 175.800 -0.079 0.000 1.089 113 F CA 2.111 59.996 58.000 -0.191 0.000 1.282 113 F CB -0.116 38.844 39.000 -0.067 0.000 1.010 113 F HN 0.258 nan 8.300 nan 0.000 0.485 114 T N -3.670 110.853 114.554 -0.051 0.000 2.698 114 T HA -0.145 4.205 4.350 -0.000 0.000 0.260 114 T C 1.997 176.637 174.700 -0.099 0.000 1.044 114 T CA 1.712 63.781 62.100 -0.052 0.000 1.149 114 T CB -1.134 67.733 68.868 -0.002 0.000 0.864 114 T HN 0.200 nan 8.240 nan 0.000 0.419 115 T N 2.296 116.796 114.554 -0.090 0.000 2.665 115 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 115 T C 1.688 176.350 174.700 -0.064 0.000 1.035 115 T CA 1.812 63.872 62.100 -0.067 0.000 1.151 115 T CB -0.736 68.096 68.868 -0.061 0.000 0.862 115 T HN 0.463 nan 8.240 nan 0.000 0.438 116 D N 0.303 120.662 120.400 -0.069 0.000 2.224 116 D HA 0.073 4.713 4.640 -0.000 0.000 0.205 116 D C 0.837 177.085 176.300 -0.086 0.000 0.965 116 D CA 0.260 54.239 54.000 -0.035 0.000 0.852 116 D CB -0.314 40.519 40.800 0.055 0.000 0.947 116 D HN 0.189 nan 8.370 nan 0.000 0.494 117 L N 0.371 121.491 121.223 -0.172 0.000 2.482 117 L HA 0.321 4.661 4.340 -0.000 0.000 0.242 117 L C 0.572 177.381 176.870 -0.102 0.000 1.210 117 L CA -0.221 54.507 54.840 -0.187 0.000 0.819 117 L CB 0.599 42.450 42.059 -0.346 0.000 1.203 117 L HN 0.043 nan 8.230 nan 0.000 0.495 118 S N -1.723 113.929 115.700 -0.079 0.000 2.580 118 S HA 0.418 4.888 4.470 -0.000 0.000 0.281 118 S C -0.952 173.635 174.600 -0.021 0.000 1.129 118 S CA -1.055 57.121 58.200 -0.039 0.000 0.862 118 S CB 0.250 63.432 63.200 -0.030 0.000 1.090 118 S HN 0.268 nan 8.310 nan 0.000 0.451 119 V N 2.346 122.258 119.914 -0.004 0.000 2.953 119 V HA 0.372 4.492 4.120 -0.000 0.000 0.304 119 V C 1.980 178.080 176.094 0.011 0.000 1.138 119 V CA 2.000 64.307 62.300 0.012 0.000 1.266 119 V CB 0.102 31.934 31.823 0.016 0.000 0.923 119 V HN 2.237 nan 8.190 nan 0.000 0.505 120 G N 3.239 112.052 108.800 0.020 0.000 2.253 120 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 120 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 120 G C 0.205 175.115 174.900 0.016 0.000 0.998 120 G CA 0.336 45.447 45.100 0.019 0.000 0.621 120 G HN 0.729 nan 8.290 nan 0.000 0.524 121 N N 1.095 119.800 118.700 0.009 0.000 2.479 121 N HA 0.410 5.150 4.740 -0.000 0.000 0.257 121 N C -0.093 175.428 175.510 0.019 0.000 1.232 121 N CA 0.606 53.657 53.050 0.001 0.000 0.920 121 N CB 0.480 38.949 38.487 -0.029 0.000 1.105 121 N HN 0.153 nan 8.380 nan 0.000 0.444 122 T N 1.480 116.045 114.554 0.019 0.000 2.845 122 T HA 0.268 4.618 4.350 -0.000 0.000 0.288 122 T C -0.176 174.545 174.700 0.034 0.000 0.980 122 T CA -0.449 61.672 62.100 0.034 0.000 1.071 122 T CB 0.919 69.805 68.868 0.029 0.000 0.941 122 T HN 0.043 nan 8.240 nan 0.000 0.487 123 V N 5.532 125.482 119.914 0.060 0.000 2.384 123 V HA 0.415 4.535 4.120 -0.000 0.000 0.287 123 V C -0.178 175.952 176.094 0.061 0.000 1.020 123 V CA -0.783 61.552 62.300 0.059 0.000 0.850 123 V CB 1.221 33.091 31.823 0.077 0.000 0.987 123 V HN 0.704 nan 8.190 nan 0.000 0.436 124 L N 5.708 126.956 121.223 0.042 0.000 2.272 124 L HA 0.609 4.949 4.340 -0.000 0.000 0.289 124 L C -0.502 176.385 176.870 0.029 0.000 1.032 124 L CA -0.675 54.187 54.840 0.036 0.000 0.810 124 L CB 1.755 43.831 42.059 0.029 0.000 1.205 124 L HN 0.343 nan 8.230 nan 0.000 0.422 125 V N 2.215 122.149 119.914 0.033 0.000 2.435 125 V HA 0.233 4.353 4.120 -0.000 0.000 0.290 125 V C -0.053 176.046 176.094 0.008 0.000 1.030 125 V CA -0.463 61.855 62.300 0.030 0.000 0.881 125 V CB 1.469 33.337 31.823 0.077 0.000 0.983 125 V HN 0.877 nan 8.190 nan 0.000 0.445 126 D N 4.311 124.714 120.400 0.006 0.000 3.620 126 D HA -0.174 4.466 4.640 -0.000 0.000 0.237 126 D C 0.259 176.558 176.300 -0.000 0.000 1.111 126 D CA 0.844 54.844 54.000 0.000 0.000 1.070 126 D CB -0.727 40.071 40.800 -0.003 0.000 0.891 126 D HN 0.900 nan 8.370 nan 0.000 0.412 127 D N 1.397 121.796 120.400 -0.001 0.000 2.701 127 D HA -0.153 4.487 4.640 -0.000 0.000 0.235 127 D C 1.354 177.657 176.300 0.006 0.000 1.155 127 D CA 2.490 56.491 54.000 0.002 0.000 0.649 127 D CB -1.465 39.337 40.800 0.003 0.000 1.050 127 D HN 1.132 nan 8.370 nan 0.000 0.425 128 G N -0.871 107.933 108.800 0.008 0.000 2.166 128 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.260 128 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.260 128 G C 1.057 175.960 174.900 0.005 0.000 0.986 128 G CA 0.792 45.898 45.100 0.010 0.000 0.683 128 G HN 0.580 nan 8.290 nan 0.000 0.527 129 L N -0.199 121.024 121.223 0.000 0.000 2.127 129 L HA 0.319 4.659 4.340 -0.000 0.000 0.211 129 L C 1.078 177.942 176.870 -0.011 0.000 1.089 129 L CA 1.773 56.610 54.840 -0.006 0.000 0.757 129 L CB 0.082 42.135 42.059 -0.009 0.000 0.899 129 L HN 0.435 nan 8.230 nan 0.000 0.434 130 I N -0.225 120.338 120.570 -0.012 0.000 2.512 130 I HA 0.403 4.573 4.170 -0.000 0.000 0.287 130 I C 0.225 176.342 176.117 -0.001 0.000 1.069 130 I CA -0.542 60.746 61.300 -0.021 0.000 1.056 130 I CB 1.483 39.448 38.000 -0.060 0.000 1.229 130 I HN 0.010 nan 8.210 nan 0.000 0.429 131 G N 6.779 115.583 108.800 0.008 0.000 2.448 131 G HA2 0.819 4.779 3.960 -0.000 0.000 0.285 131 G HA3 0.819 4.779 3.960 -0.000 0.000 0.285 131 G C -0.665 174.259 174.900 0.040 0.000 1.176 131 G CA -0.450 44.667 45.100 0.028 0.000 0.852 131 G HN 0.492 nan 8.290 nan 0.000 0.530 132 M N 0.502 120.147 119.600 0.075 0.000 2.365 132 M HA 0.250 4.730 4.480 -0.000 0.000 0.288 132 M C -1.089 175.281 176.300 0.116 0.000 1.152 132 M CA -0.593 54.774 55.300 0.111 0.000 0.948 132 M CB 3.171 35.892 32.600 0.203 0.000 1.729 132 M HN 0.634 nan 8.290 nan 0.000 0.487 133 E N 2.120 122.384 120.200 0.106 0.000 2.174 133 E HA 0.490 4.840 4.350 -0.000 0.000 0.282 133 E C -1.225 175.441 176.600 0.109 0.000 0.992 133 E CA -0.639 55.815 56.400 0.089 0.000 0.803 133 E CB 1.420 31.158 29.700 0.063 0.000 1.090 133 E HN 0.500 nan 8.360 nan 0.000 0.396 134 V N 4.725 124.695 119.914 0.094 0.000 2.508 134 V HA 0.027 4.147 4.120 -0.000 0.000 0.281 134 V C 1.335 177.474 176.094 0.074 0.000 1.041 134 V CA 0.633 62.994 62.300 0.102 0.000 1.016 134 V CB 0.872 32.733 31.823 0.063 0.000 0.984 134 V HN 0.978 nan 8.190 nan 0.000 0.478 135 T N 1.017 115.621 114.554 0.083 0.000 3.000 135 T HA 0.604 4.954 4.350 -0.000 0.000 0.248 135 T C 0.450 175.181 174.700 0.051 0.000 1.034 135 T CA 0.523 62.660 62.100 0.061 0.000 1.060 135 T CB 0.532 69.438 68.868 0.063 0.000 0.983 135 T HN 1.143 nan 8.240 nan 0.000 0.482 136 A N 0.229 123.086 122.820 0.062 0.000 2.586 136 A HA 0.746 5.066 4.320 -0.000 0.000 0.291 136 A C -1.993 175.627 177.584 0.060 0.000 1.062 136 A CA -1.006 51.060 52.037 0.048 0.000 0.666 136 A CB 0.896 19.921 19.000 0.041 0.000 1.281 136 A HN 0.384 nan 8.150 nan 0.000 0.421 137 I N 0.156 120.753 120.570 0.045 0.000 2.722 137 I HA 0.518 4.687 4.170 -0.000 0.000 0.292 137 I C -1.195 174.942 176.117 0.032 0.000 1.267 137 I CA -0.292 61.037 61.300 0.048 0.000 1.036 137 I CB 2.620 40.638 38.000 0.030 0.000 1.281 137 I HN 0.798 nan 8.210 nan 0.000 0.423 138 E N 3.524 123.743 120.200 0.033 0.000 2.397 138 E HA 0.506 4.856 4.350 -0.000 0.000 0.293 138 E C -0.185 176.428 176.600 0.022 0.000 0.930 138 E CA -0.492 55.921 56.400 0.022 0.000 0.793 138 E CB 2.289 32.000 29.700 0.018 0.000 1.259 138 E HN 0.933 nan 8.360 nan 0.000 0.406 139 G N 3.444 112.253 108.800 0.015 0.000 2.575 139 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 139 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 139 G C 0.244 175.158 174.900 0.023 0.000 1.264 139 G CA 0.300 45.408 45.100 0.014 0.000 0.935 139 G HN 0.784 nan 8.290 nan 0.000 0.568 140 N N 1.101 119.816 118.700 0.024 0.000 2.416 140 N HA 0.123 4.863 4.740 -0.000 0.000 0.215 140 N C -0.019 175.531 175.510 0.067 0.000 1.208 140 N CA 0.626 53.699 53.050 0.039 0.000 0.834 140 N CB 0.181 38.683 38.487 0.025 0.000 1.072 140 N HN 0.607 nan 8.380 nan 0.000 0.472 141 K N 0.078 120.522 120.400 0.073 0.000 2.371 141 K HA 0.411 4.731 4.320 -0.000 0.000 0.251 141 K C -0.926 175.765 176.600 0.152 0.000 0.934 141 K CA -0.875 55.474 56.287 0.103 0.000 0.798 141 K CB 2.812 35.341 32.500 0.049 0.000 1.204 141 K HN -0.168 nan 8.250 nan 0.000 0.427 142 V N 3.915 123.984 119.914 0.258 0.000 2.293 142 V HA 0.225 4.345 4.120 -0.000 0.000 0.275 142 V C -0.060 176.219 176.094 0.308 0.000 1.021 142 V CA -0.903 61.584 62.300 0.312 0.000 0.815 142 V CB 0.772 32.873 31.823 0.462 0.000 1.025 142 V HN 0.549 nan 8.190 nan 0.000 0.448 143 I N 4.547 125.227 120.570 0.183 0.000 2.452 143 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 143 I C 0.305 176.528 176.117 0.177 0.000 1.079 143 I CA 0.322 61.706 61.300 0.140 0.000 1.387 143 I CB 0.312 38.359 38.000 0.078 0.000 1.404 143 I HN 0.586 nan 8.210 nan 0.000 0.522 144 C N 5.136 124.560 119.300 0.207 0.000 3.236 144 C HA 0.457 4.917 4.460 -0.000 0.000 0.312 144 C C 0.255 175.350 174.990 0.174 0.000 1.374 144 C CA -1.199 57.946 59.018 0.211 0.000 1.455 144 C CB 2.572 30.504 27.740 0.320 0.000 1.834 144 C HN 0.688 nan 8.230 nan 0.000 0.460 145 K N 1.128 121.610 120.400 0.136 0.000 2.227 145 K HA 0.557 4.877 4.320 -0.000 0.000 0.280 145 K C -0.744 175.915 176.600 0.099 0.000 1.041 145 K CA -0.158 56.190 56.287 0.103 0.000 0.905 145 K CB 0.976 33.520 32.500 0.073 0.000 1.068 145 K HN 0.570 nan 8.250 nan 0.000 0.470 146 V N 6.570 126.532 119.914 0.081 0.000 2.572 146 V HA -0.007 4.113 4.120 -0.000 0.000 0.291 146 V C 1.480 177.594 176.094 0.033 0.000 1.039 146 V CA 0.075 62.400 62.300 0.043 0.000 1.055 146 V CB 0.980 32.807 31.823 0.006 0.000 0.969 146 V HN 0.801 nan 8.190 nan 0.000 0.482 147 L N 4.082 125.321 121.223 0.027 0.000 2.418 147 L HA 0.183 4.523 4.340 -0.000 0.000 0.218 147 L C 0.776 177.654 176.870 0.013 0.000 1.125 147 L CA 0.432 55.286 54.840 0.024 0.000 0.835 147 L CB -0.318 41.758 42.059 0.027 0.000 0.953 147 L HN 0.928 nan 8.230 nan 0.000 0.454 148 N N -2.026 116.676 118.700 0.003 0.000 2.961 148 N HA 0.110 4.850 4.740 -0.000 0.000 0.245 148 N C -1.433 174.068 175.510 -0.014 0.000 1.404 148 N CA -0.694 52.355 53.050 -0.002 0.000 0.880 148 N CB 0.576 39.062 38.487 -0.002 0.000 1.461 148 N HN -0.248 nan 8.380 nan 0.000 0.510 149 N N -0.652 118.042 118.700 -0.010 0.000 2.513 149 N HA 0.596 5.336 4.740 -0.000 0.000 0.268 149 N C 0.217 175.714 175.510 -0.022 0.000 1.180 149 N CA 0.547 53.588 53.050 -0.015 0.000 0.948 149 N CB 0.992 39.474 38.487 -0.007 0.000 1.083 149 N HN 0.813 nan 8.380 nan 0.000 0.455 150 G N 0.555 109.337 108.800 -0.031 0.000 2.489 150 G HA2 0.184 4.144 3.960 -0.000 0.000 0.291 150 G HA3 0.184 4.144 3.960 -0.000 0.000 0.291 150 G C -1.930 172.946 174.900 -0.040 0.000 1.487 150 G CA -0.710 44.370 45.100 -0.033 0.000 0.795 150 G HN 0.318 nan 8.290 nan 0.000 0.513 151 D N 0.392 120.774 120.400 -0.030 0.000 2.249 151 D HA 0.435 5.075 4.640 -0.000 0.000 0.246 151 D C -0.176 176.104 176.300 -0.033 0.000 1.114 151 D CA -0.190 53.794 54.000 -0.026 0.000 0.854 151 D CB 2.251 43.042 40.800 -0.014 0.000 1.132 151 D HN 0.343 nan 8.370 nan 0.000 0.461 152 L N 2.457 123.659 121.223 -0.035 0.000 2.257 152 L HA 0.594 4.934 4.340 -0.000 0.000 0.290 152 L C 0.288 177.157 176.870 -0.001 0.000 1.044 152 L CA -0.164 54.657 54.840 -0.032 0.000 0.810 152 L CB 1.006 43.028 42.059 -0.062 0.000 1.193 152 L HN 0.332 nan 8.230 nan 0.000 0.425 153 G N 3.740 112.541 108.800 0.001 0.000 2.531 153 G HA2 0.420 4.380 3.960 -0.000 0.000 0.313 153 G HA3 0.420 4.380 3.960 -0.000 0.000 0.313 153 G C -0.722 174.187 174.900 0.016 0.000 1.238 153 G CA -0.657 44.447 45.100 0.007 0.000 0.994 153 G HN 0.685 nan 8.290 nan 0.000 0.493 154 E N -0.344 119.865 120.200 0.014 0.000 2.349 154 E HA 0.136 4.486 4.350 -0.000 0.000 0.262 154 E C 0.082 176.691 176.600 0.015 0.000 1.088 154 E CA -0.286 56.125 56.400 0.018 0.000 0.899 154 E CB 0.599 30.306 29.700 0.012 0.000 1.044 154 E HN 0.491 nan 8.360 nan 0.000 0.420 155 N N 1.404 120.114 118.700 0.016 0.000 2.725 155 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 155 N C -1.541 173.973 175.510 0.007 0.000 1.031 155 N CA 0.547 53.602 53.050 0.009 0.000 0.720 155 N CB -0.638 37.853 38.487 0.005 0.000 0.930 155 N HN 0.187 nan 8.380 nan 0.000 0.543 156 K N 0.101 120.509 120.400 0.013 0.000 2.143 156 K HA 0.609 4.929 4.320 -0.000 0.000 0.272 156 K C 0.799 177.396 176.600 -0.005 0.000 1.001 156 K CA -0.033 56.259 56.287 0.008 0.000 0.915 156 K CB 1.056 33.566 32.500 0.017 0.000 1.047 156 K HN 0.327 nan 8.250 nan 0.000 0.458 157 G N 1.284 110.073 108.800 -0.017 0.000 2.380 157 G HA2 0.372 4.332 3.960 -0.000 0.000 0.262 157 G HA3 0.372 4.332 3.960 -0.000 0.000 0.262 157 G C -0.588 174.289 174.900 -0.038 0.000 1.243 157 G CA -0.451 44.625 45.100 -0.040 0.000 0.865 157 G HN 0.323 nan 8.290 nan 0.000 0.513 158 V N 2.747 122.627 119.914 -0.056 0.000 2.539 158 V HA 0.406 4.526 4.120 -0.000 0.000 0.292 158 V C -0.421 175.660 176.094 -0.021 0.000 1.045 158 V CA -1.019 61.257 62.300 -0.040 0.000 0.945 158 V CB 1.652 33.434 31.823 -0.069 0.000 0.993 158 V HN 0.745 nan 8.190 nan 0.000 0.464 159 N N 3.445 122.152 118.700 0.012 0.000 2.352 159 N HA 0.583 5.323 4.740 -0.000 0.000 0.291 159 N C -1.155 174.387 175.510 0.053 0.000 1.040 159 N CA -0.513 52.556 53.050 0.032 0.000 0.864 159 N CB 2.013 40.522 38.487 0.036 0.000 1.440 159 N HN 0.565 nan 8.380 nan 0.000 0.483 160 L N 2.534 123.798 121.223 0.068 0.000 2.360 160 L HA 0.473 4.813 4.340 -0.000 0.000 0.265 160 L C -2.172 174.726 176.870 0.047 0.000 1.066 160 L CA -1.753 53.111 54.840 0.041 0.000 0.929 160 L CB 0.428 42.499 42.059 0.021 0.000 1.306 160 L HN 0.213 nan 8.230 nan 0.000 0.434 161 P HA -0.037 nan 4.420 nan 0.000 0.269 161 P C 1.187 178.501 177.300 0.024 0.000 1.205 161 P CA 0.689 63.812 63.100 0.037 0.000 0.780 161 P CB 0.709 32.426 31.700 0.030 0.000 0.858 162 G N -0.100 108.712 108.800 0.019 0.000 2.485 162 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.255 162 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.255 162 G C 0.374 175.275 174.900 0.002 0.000 0.992 162 G CA 0.769 45.873 45.100 0.007 0.000 0.643 162 G HN 0.556 nan 8.290 nan 0.000 0.565 163 V N 0.882 120.800 119.914 0.008 0.000 2.924 163 V HA 0.457 4.577 4.120 -0.000 0.000 0.305 163 V C 0.788 176.888 176.094 0.009 0.000 1.073 163 V CA 0.411 62.713 62.300 0.003 0.000 1.098 163 V CB 1.726 33.546 31.823 -0.005 0.000 1.000 163 V HN 0.283 nan 8.190 nan 0.000 0.484 164 S N 4.360 120.063 115.700 0.005 0.000 2.434 164 S HA 0.523 4.993 4.470 -0.000 0.000 0.318 164 S C -0.283 174.338 174.600 0.034 0.000 1.062 164 S CA -0.277 57.924 58.200 0.002 0.000 1.116 164 S CB 0.069 63.264 63.200 -0.007 0.000 0.977 164 S HN 0.461 nan 8.310 nan 0.000 0.480 165 I N 2.659 123.263 120.570 0.055 0.000 2.371 165 I HA 0.233 4.403 4.170 -0.000 0.000 0.290 165 I C 1.044 177.216 176.117 0.092 0.000 1.028 165 I CA -0.305 61.052 61.300 0.095 0.000 1.345 165 I CB 1.092 39.151 38.000 0.098 0.000 1.407 165 I HN 0.670 nan 8.210 nan 0.000 0.501 166 A N 7.726 130.646 122.820 0.167 0.000 2.281 166 A HA 0.278 4.598 4.320 -0.000 0.000 0.231 166 A C 0.675 178.357 177.584 0.162 0.000 1.317 166 A CA -0.102 52.028 52.037 0.154 0.000 0.959 166 A CB -0.817 18.280 19.000 0.162 0.000 0.900 166 A HN 0.642 nan 8.150 nan 0.000 0.497 167 L N 0.940 122.200 121.223 0.062 0.000 2.476 167 L HA 0.208 4.547 4.340 -0.000 0.000 0.264 167 L C -1.389 175.519 176.870 0.063 0.000 1.224 167 L CA -1.592 53.266 54.840 0.031 0.000 0.821 167 L CB 0.184 42.170 42.059 -0.121 0.000 1.101 167 L HN 0.258 nan 8.230 nan 0.000 0.488 168 P HA 0.071 nan 4.420 nan 0.000 0.274 168 P C -0.222 177.101 177.300 0.039 0.000 1.256 168 P CA -0.376 62.750 63.100 0.044 0.000 0.795 168 P CB 0.885 32.606 31.700 0.037 0.000 1.038 169 A N 1.169 124.003 122.820 0.024 0.000 1.968 169 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 169 A C 1.175 178.765 177.584 0.010 0.000 1.169 169 A CA 1.026 53.075 52.037 0.020 0.000 0.638 169 A CB -0.592 18.411 19.000 0.004 0.000 0.812 169 A HN 0.494 nan 8.150 nan 0.000 0.446 170 L N -0.425 120.792 121.223 -0.011 0.000 2.409 170 L HA 0.591 4.931 4.340 -0.000 0.000 0.272 170 L C 0.053 176.906 176.870 -0.029 0.000 0.980 170 L CA -0.870 53.948 54.840 -0.036 0.000 0.826 170 L CB 1.894 43.892 42.059 -0.101 0.000 1.268 170 L HN 0.169 nan 8.230 nan 0.000 0.407 171 A N 2.107 124.914 122.820 -0.021 0.000 2.462 171 A HA 0.189 4.509 4.320 -0.000 0.000 0.243 171 A C 1.153 178.726 177.584 -0.017 0.000 1.076 171 A CA -0.249 51.781 52.037 -0.012 0.000 0.773 171 A CB 0.374 19.367 19.000 -0.012 0.000 1.010 171 A HN 0.847 nan 8.150 nan 0.000 0.493 172 E N 1.407 121.604 120.200 -0.004 0.000 2.114 172 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 172 E C 1.976 178.585 176.600 0.014 0.000 1.008 172 E CA 1.930 58.330 56.400 0.001 0.000 0.810 172 E CB -0.155 29.555 29.700 0.017 0.000 0.739 172 E HN 0.654 nan 8.360 nan 0.000 0.456 173 K N 1.040 121.457 120.400 0.029 0.000 2.439 173 K HA -0.086 4.234 4.320 -0.000 0.000 0.197 173 K C 1.166 177.805 176.600 0.066 0.000 1.041 173 K CA 0.991 57.317 56.287 0.065 0.000 0.970 173 K CB -0.242 32.294 32.500 0.059 0.000 0.773 173 K HN 0.093 nan 8.250 nan 0.000 0.479 174 D N 1.085 121.495 120.400 0.015 0.000 2.178 174 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 174 D C 1.751 178.017 176.300 -0.057 0.000 0.974 174 D CA 1.279 55.273 54.000 -0.010 0.000 0.841 174 D CB 0.022 40.804 40.800 -0.030 0.000 0.953 174 D HN 0.515 nan 8.370 nan 0.000 0.478 175 K N 0.348 120.686 120.400 -0.103 0.000 2.062 175 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 175 K C 2.099 178.710 176.600 0.019 0.000 1.051 175 K CA 0.656 56.825 56.287 -0.197 0.000 0.941 175 K CB 0.017 32.352 32.500 -0.275 0.000 0.719 175 K HN 0.034 nan 8.250 nan 0.000 0.440 176 Q N 1.411 121.241 119.800 0.050 0.000 2.061 176 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 176 Q C 1.657 177.690 176.000 0.055 0.000 0.984 176 Q CA 1.596 57.445 55.803 0.077 0.000 0.846 176 Q CB -0.549 28.295 28.738 0.178 0.000 0.902 176 Q HN 0.333 nan 8.270 nan 0.000 0.421 177 D N 0.496 120.977 120.400 0.136 0.000 2.182 177 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 177 D C 2.062 178.308 176.300 -0.089 0.000 0.986 177 D CA 0.688 54.734 54.000 0.076 0.000 0.847 177 D CB -0.173 40.658 40.800 0.051 0.000 0.942 177 D HN 0.225 nan 8.370 nan 0.000 0.467 178 L N 0.134 121.337 121.223 -0.033 0.000 2.109 178 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 178 L C 2.329 179.183 176.870 -0.027 0.000 1.086 178 L CA 0.617 55.456 54.840 -0.002 0.000 0.760 178 L CB -0.273 41.880 42.059 0.157 0.000 0.910 178 L HN 0.027 nan 8.230 nan 0.000 0.437 179 I N -0.825 119.710 120.570 -0.059 0.000 2.614 179 I HA -0.274 3.896 4.170 -0.000 0.000 0.258 179 I C 2.423 178.469 176.117 -0.118 0.000 1.189 179 I CA 1.124 62.322 61.300 -0.171 0.000 1.462 179 I CB -0.250 37.583 38.000 -0.279 0.000 1.092 179 I HN 0.182 nan 8.210 nan 0.000 0.442 180 F N 1.903 121.686 119.950 -0.279 0.000 2.163 180 F HA 0.020 4.547 4.527 -0.000 0.000 0.297 180 F C 2.321 178.016 175.800 -0.174 0.000 1.094 180 F CA 1.473 59.302 58.000 -0.285 0.000 1.290 180 F CB -0.597 38.130 39.000 -0.455 0.000 1.017 180 F HN -0.044 nan 8.300 nan 0.000 0.483 181 G N -0.447 108.273 108.800 -0.132 0.000 2.432 181 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 181 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 181 G C 1.599 176.382 174.900 -0.196 0.000 1.135 181 G CA 1.101 46.080 45.100 -0.201 0.000 0.767 181 G HN 0.514 nan 8.290 nan 0.000 0.550 182 C N 0.176 119.385 119.300 -0.152 0.000 2.508 182 C HA 0.063 4.523 4.460 -0.000 0.000 0.280 182 C C 2.731 177.632 174.990 -0.148 0.000 1.262 182 C CA 0.928 59.877 59.018 -0.115 0.000 1.706 182 C CB -0.818 26.886 27.740 -0.060 0.000 2.078 182 C HN 0.578 nan 8.230 nan 0.000 0.480 183 E N 0.481 120.575 120.200 -0.176 0.000 2.033 183 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 183 E C 2.044 178.495 176.600 -0.249 0.000 1.011 183 E CA 1.208 57.498 56.400 -0.184 0.000 0.815 183 E CB -0.290 29.294 29.700 -0.192 0.000 0.755 183 E HN 0.584 nan 8.360 nan 0.000 0.451 184 Q N -0.378 119.167 119.800 -0.425 0.000 2.561 184 Q HA -0.038 4.302 4.340 -0.000 0.000 0.217 184 Q C 0.897 176.757 176.000 -0.234 0.000 0.980 184 Q CA 0.944 56.513 55.803 -0.391 0.000 0.927 184 Q CB -0.024 28.357 28.738 -0.596 0.000 0.980 184 Q HN 0.479 nan 8.270 nan 0.000 0.525 185 G N 1.403 110.093 108.800 -0.183 0.000 2.323 185 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.292 185 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.292 185 G C 0.432 175.255 174.900 -0.129 0.000 1.040 185 G CA 0.413 45.434 45.100 -0.132 0.000 0.942 185 G HN 0.344 nan 8.290 nan 0.000 0.506 186 V N -3.072 116.764 119.914 -0.129 0.000 3.051 186 V HA 0.409 4.529 4.120 -0.000 0.000 0.306 186 V C 1.363 177.383 176.094 -0.124 0.000 1.083 186 V CA 0.284 62.525 62.300 -0.099 0.000 1.104 186 V CB 0.977 32.769 31.823 -0.052 0.000 1.027 186 V HN 0.153 nan 8.190 nan 0.000 0.483 187 D N 1.007 121.313 120.400 -0.156 0.000 2.084 187 D HA 0.047 4.687 4.640 -0.000 0.000 0.196 187 D C 0.190 176.167 176.300 -0.539 0.000 0.985 187 D CA 1.938 55.716 54.000 -0.370 0.000 0.826 187 D CB -0.015 40.558 40.800 -0.378 0.000 0.978 187 D HN 0.569 nan 8.370 nan 0.000 0.456 188 F N -0.303 119.648 119.950 0.003 0.000 2.551 188 F HA 0.385 4.912 4.527 -0.000 0.000 0.316 188 F C -0.092 175.713 175.800 0.008 0.000 1.089 188 F CA -1.042 56.978 58.000 0.033 0.000 0.915 188 F CB 2.115 41.141 39.000 0.043 0.000 1.186 188 F HN -0.421 nan 8.300 nan 0.000 0.456 189 V N 2.504 122.545 119.914 0.210 0.000 2.370 189 V HA 0.685 4.805 4.120 -0.000 0.000 0.283 189 V C -0.262 175.896 176.094 0.106 0.000 1.023 189 V CA -0.827 61.531 62.300 0.097 0.000 0.857 189 V CB 1.387 33.239 31.823 0.049 0.000 0.985 189 V HN 0.868 nan 8.190 nan 0.000 0.443 190 A N 4.883 127.745 122.820 0.069 0.000 2.294 190 A HA 0.793 5.113 4.320 -0.000 0.000 0.316 190 A C 0.465 178.070 177.584 0.035 0.000 1.359 190 A CA -0.187 51.878 52.037 0.047 0.000 0.956 190 A CB 0.311 19.330 19.000 0.033 0.000 1.155 190 A HN 1.164 nan 8.150 nan 0.000 0.544 191 A N 2.670 125.508 122.820 0.030 0.000 2.388 191 A HA 0.580 4.900 4.320 -0.000 0.000 0.257 191 A C 0.702 178.311 177.584 0.042 0.000 1.095 191 A CA -0.133 51.920 52.037 0.028 0.000 0.791 191 A CB 0.206 19.218 19.000 0.020 0.000 1.029 191 A HN 0.741 nan 8.150 nan 0.000 0.489 192 S N 0.636 116.370 115.700 0.057 0.000 2.545 192 S HA 0.435 4.905 4.470 -0.000 0.000 0.275 192 S C -0.069 174.643 174.600 0.186 0.000 1.299 192 S CA 0.012 58.272 58.200 0.100 0.000 1.048 192 S CB -0.197 63.050 63.200 0.079 0.000 0.938 192 S HN 1.219 nan 8.310 nan 0.000 0.496 193 F N 2.443 122.386 119.950 -0.012 0.000 2.969 193 F HA -0.173 4.354 4.527 -0.000 0.000 0.273 193 F C -0.407 175.383 175.800 -0.016 0.000 0.986 193 F CA -0.143 57.847 58.000 -0.016 0.000 0.926 193 F CB -1.048 37.934 39.000 -0.030 0.000 0.887 193 F HN 0.414 nan 8.300 nan 0.000 0.816 194 I N 2.220 122.767 120.570 -0.039 0.000 2.533 194 I HA 0.006 4.176 4.170 -0.000 0.000 0.284 194 I C 1.357 177.358 176.117 -0.195 0.000 1.109 194 I CA 0.356 61.600 61.300 -0.094 0.000 1.412 194 I CB 1.104 39.074 38.000 -0.051 0.000 1.396 194 I HN 0.320 nan 8.210 nan 0.000 0.543 195 R N 4.734 125.115 120.500 -0.199 0.000 2.316 195 R HA 0.174 4.514 4.340 -0.000 0.000 0.201 195 R C -0.149 176.079 176.300 -0.120 0.000 0.888 195 R CA 0.288 56.258 56.100 -0.216 0.000 1.041 195 R CB 0.393 30.516 30.300 -0.294 0.000 1.115 195 R HN 0.640 nan 8.270 nan 0.000 0.559 196 K N -1.672 118.675 120.400 -0.088 0.000 2.578 196 K HA 0.346 4.666 4.320 -0.000 0.000 0.287 196 K C -0.235 176.333 176.600 -0.054 0.000 1.010 196 K CA -0.949 55.302 56.287 -0.059 0.000 0.889 196 K CB 1.411 33.882 32.500 -0.048 0.000 1.514 196 K HN -0.258 nan 8.250 nan 0.000 0.424 197 R N 0.840 121.313 120.500 -0.046 0.000 2.096 197 R HA -0.167 4.173 4.340 -0.000 0.000 0.240 197 R C 1.846 178.125 176.300 -0.036 0.000 1.139 197 R CA 2.828 58.900 56.100 -0.046 0.000 0.952 197 R CB -0.535 29.742 30.300 -0.039 0.000 0.854 197 R HN 0.837 nan 8.270 nan 0.000 0.436 198 S N 0.362 116.046 115.700 -0.026 0.000 2.440 198 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 198 S C 1.238 175.830 174.600 -0.013 0.000 1.010 198 S CA 1.555 59.745 58.200 -0.016 0.000 0.972 198 S CB -0.216 62.977 63.200 -0.011 0.000 0.774 198 S HN 0.318 nan 8.310 nan 0.000 0.501 199 D N 1.635 122.022 120.400 -0.021 0.000 2.091 199 D HA 0.007 4.647 4.640 -0.000 0.000 0.199 199 D C 2.170 178.461 176.300 -0.015 0.000 0.980 199 D CA 1.025 55.016 54.000 -0.016 0.000 0.831 199 D CB -0.759 40.025 40.800 -0.028 0.000 0.987 199 D HN 0.311 nan 8.370 nan 0.000 0.460 200 V N 1.613 121.511 119.914 -0.028 0.000 2.392 200 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 200 V C 2.367 178.452 176.094 -0.015 0.000 1.059 200 V CA 0.967 63.251 62.300 -0.027 0.000 1.051 200 V CB -0.244 31.550 31.823 -0.048 0.000 0.658 200 V HN 0.186 nan 8.190 nan 0.000 0.455 201 I N -0.063 120.498 120.570 -0.014 0.000 2.163 201 I HA -0.192 3.978 4.170 -0.000 0.000 0.240 201 I C 2.511 178.635 176.117 0.013 0.000 1.081 201 I CA 1.481 62.778 61.300 -0.005 0.000 1.353 201 I CB -1.351 36.645 38.000 -0.006 0.000 1.054 201 I HN 0.450 nan 8.210 nan 0.000 0.407 202 E N 0.800 121.010 120.200 0.015 0.000 2.086 202 E HA -0.255 4.095 4.350 -0.000 0.000 0.200 202 E C 2.272 178.909 176.600 0.062 0.000 1.012 202 E CA 1.571 57.991 56.400 0.033 0.000 0.812 202 E CB -0.222 29.491 29.700 0.021 0.000 0.743 202 E HN 0.474 nan 8.360 nan 0.000 0.453 203 I N 0.486 121.084 120.570 0.047 0.000 2.286 203 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 203 I C 2.622 178.793 176.117 0.090 0.000 1.115 203 I CA 0.897 62.242 61.300 0.075 0.000 1.392 203 I CB -0.211 37.812 38.000 0.040 0.000 1.065 203 I HN 0.007 nan 8.210 nan 0.000 0.418 204 R N 1.579 122.108 120.500 0.048 0.000 2.096 204 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 204 R C 1.959 178.284 176.300 0.042 0.000 1.127 204 R CA 1.539 57.658 56.100 0.032 0.000 0.968 204 R CB -0.244 30.060 30.300 0.006 0.000 0.861 204 R HN 0.371 nan 8.270 nan 0.000 0.440 205 E N -1.654 118.578 120.200 0.054 0.000 2.208 205 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 205 E C 1.544 178.187 176.600 0.071 0.000 0.988 205 E CA 1.150 57.579 56.400 0.048 0.000 0.828 205 E CB -0.110 29.618 29.700 0.047 0.000 0.763 205 E HN 0.503 nan 8.360 nan 0.000 0.478 206 H N 0.597 119.690 119.070 0.039 0.000 2.363 206 H HA 0.029 4.585 4.556 -0.000 0.000 0.301 206 H C 1.891 177.298 175.328 0.132 0.000 1.074 206 H CA 1.197 57.301 56.048 0.094 0.000 1.354 206 H CB 0.061 29.868 29.762 0.076 0.000 1.397 206 H HN 0.028 nan 8.280 nan 0.000 0.516 207 L N 0.177 121.453 121.223 0.088 0.000 2.141 207 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 207 L C 2.528 179.386 176.870 -0.020 0.000 1.094 207 L CA 1.503 56.362 54.840 0.031 0.000 0.763 207 L CB -0.384 41.701 42.059 0.043 0.000 0.908 207 L HN 0.271 nan 8.230 nan 0.000 0.437 208 K N 0.876 121.258 120.400 -0.031 0.000 2.097 208 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 208 K C 1.958 178.476 176.600 -0.136 0.000 1.050 208 K CA 1.166 57.415 56.287 -0.063 0.000 0.938 208 K CB -0.043 32.429 32.500 -0.046 0.000 0.718 208 K HN 0.253 nan 8.250 nan 0.000 0.442 209 A N 0.038 122.725 122.820 -0.222 0.000 2.248 209 A HA -0.081 4.239 4.320 -0.000 0.000 0.210 209 A C 0.313 177.439 177.584 -0.764 0.000 1.174 209 A CA 0.980 52.743 52.037 -0.458 0.000 0.750 209 A CB -0.469 18.202 19.000 -0.549 0.000 0.780 209 A HN 0.489 nan 8.150 nan 0.000 0.478 210 H N -2.500 116.474 119.070 -0.161 0.000 2.750 210 H HA 0.387 4.943 4.556 -0.000 0.000 0.252 210 H C 1.232 176.497 175.328 -0.104 0.000 1.176 210 H CA 0.190 56.152 56.048 -0.143 0.000 0.987 210 H CB 0.557 30.200 29.762 -0.197 0.000 1.810 210 H HN 0.444 nan 8.280 nan 0.000 0.630 211 G N 0.578 109.351 108.800 -0.046 0.000 2.148 211 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 211 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 211 G C 1.387 176.267 174.900 -0.034 0.000 0.981 211 G CA 0.363 45.439 45.100 -0.040 0.000 0.670 211 G HN 0.615 nan 8.290 nan 0.000 0.528 212 G N 0.805 109.590 108.800 -0.025 0.000 2.848 212 G HA2 0.224 4.184 3.960 -0.000 0.000 0.208 212 G HA3 0.224 4.184 3.960 -0.000 0.000 0.208 212 G C 1.424 176.314 174.900 -0.017 0.000 1.152 212 G CA 1.228 46.315 45.100 -0.022 0.000 0.789 212 G HN 0.793 nan 8.290 nan 0.000 0.531 213 E N 1.947 122.134 120.200 -0.022 0.000 2.253 213 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 213 E C 1.112 177.712 176.600 -0.001 0.000 1.014 213 E CA 1.175 57.567 56.400 -0.014 0.000 0.823 213 E CB -0.561 29.126 29.700 -0.021 0.000 0.736 213 E HN 0.398 nan 8.360 nan 0.000 0.478 214 N N 0.579 119.270 118.700 -0.015 0.000 2.336 214 N HA 0.161 4.901 4.740 -0.000 0.000 0.189 214 N C 0.369 175.868 175.510 -0.017 0.000 1.113 214 N CA 0.070 53.111 53.050 -0.014 0.000 0.858 214 N CB 0.484 38.943 38.487 -0.048 0.000 0.970 214 N HN 0.277 nan 8.380 nan 0.000 0.471 215 I N 1.207 121.771 120.570 -0.011 0.000 2.441 215 I HA 0.033 4.203 4.170 -0.000 0.000 0.287 215 I C 0.700 176.892 176.117 0.125 0.000 1.049 215 I CA -0.240 61.045 61.300 -0.025 0.000 1.381 215 I CB 0.570 38.558 38.000 -0.020 0.000 1.409 215 I HN -0.063 nan 8.210 nan 0.000 0.523 216 H N 6.377 125.388 119.070 -0.099 0.000 2.646 216 H HA 0.374 4.930 4.556 -0.000 0.000 0.325 216 H C -0.248 175.174 175.328 0.157 0.000 1.075 216 H CA -0.605 55.474 56.048 0.051 0.000 1.421 216 H CB 1.317 31.155 29.762 0.127 0.000 1.461 216 H HN 0.397 nan 8.280 nan 0.000 0.525 217 I N 5.523 126.175 120.570 0.136 0.000 2.301 217 I HA 0.048 4.218 4.170 -0.000 0.000 0.292 217 I C -0.091 176.069 176.117 0.071 0.000 1.046 217 I CA -0.319 61.034 61.300 0.088 0.000 1.282 217 I CB 0.695 38.706 38.000 0.019 0.000 1.409 217 I HN 0.358 nan 8.210 nan 0.000 0.484 218 I N 5.756 126.376 120.570 0.084 0.000 2.307 218 I HA 0.176 4.346 4.170 -0.000 0.000 0.287 218 I C 0.366 176.483 176.117 0.001 0.000 1.054 218 I CA 0.040 61.352 61.300 0.020 0.000 1.218 218 I CB 0.795 38.784 38.000 -0.017 0.000 1.398 218 I HN 0.461 nan 8.210 nan 0.000 0.475 219 S N 6.472 122.157 115.700 -0.025 0.000 2.523 219 S HA 0.310 4.780 4.470 -0.000 0.000 0.275 219 S C 0.234 174.829 174.600 -0.008 0.000 1.281 219 S CA -0.630 57.555 58.200 -0.025 0.000 1.050 219 S CB 0.948 64.113 63.200 -0.057 0.000 0.937 219 S HN 0.385 nan 8.310 nan 0.000 0.492 220 K N 2.642 123.051 120.400 0.014 0.000 2.253 220 K HA 0.339 4.659 4.320 -0.000 0.000 0.277 220 K C -0.736 175.888 176.600 0.040 0.000 1.053 220 K CA -0.476 55.833 56.287 0.037 0.000 0.892 220 K CB 0.603 33.133 32.500 0.051 0.000 1.102 220 K HN 0.403 nan 8.250 nan 0.000 0.469 221 I N 4.092 124.695 120.570 0.055 0.000 2.308 221 I HA 0.042 4.212 4.170 -0.000 0.000 0.293 221 I C 0.890 177.040 176.117 0.056 0.000 1.078 221 I CA 0.431 61.766 61.300 0.059 0.000 1.292 221 I CB 0.666 38.750 38.000 0.140 0.000 1.423 221 I HN 0.752 nan 8.210 nan 0.000 0.493 222 E N 4.218 124.438 120.200 0.033 0.000 2.413 222 E HA 0.038 4.388 4.350 -0.000 0.000 0.203 222 E C 0.164 176.810 176.600 0.076 0.000 0.957 222 E CA 0.153 56.608 56.400 0.091 0.000 0.950 222 E CB 0.576 30.420 29.700 0.239 0.000 0.957 222 E HN 0.718 nan 8.360 nan 0.000 0.497 223 N N -0.730 117.968 118.700 -0.004 0.000 2.902 223 N HA -0.009 4.731 4.740 -0.000 0.000 0.268 223 N C 0.487 175.977 175.510 -0.034 0.000 1.450 223 N CA -0.447 52.599 53.050 -0.006 0.000 0.819 223 N CB 1.034 39.495 38.487 -0.042 0.000 1.540 223 N HN -0.283 nan 8.380 nan 0.000 0.545 224 Q N 0.376 120.164 119.800 -0.019 0.000 2.045 224 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 224 Q C 1.604 177.583 176.000 -0.035 0.000 0.991 224 Q CA 2.480 58.272 55.803 -0.018 0.000 0.851 224 Q CB -0.308 28.426 28.738 -0.007 0.000 0.911 224 Q HN 0.793 nan 8.270 nan 0.000 0.418 225 E N -1.582 118.579 120.200 -0.065 0.000 2.058 225 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 225 E C 1.825 178.383 176.600 -0.069 0.000 0.997 225 E CA 1.234 57.592 56.400 -0.071 0.000 0.801 225 E CB -0.559 29.081 29.700 -0.101 0.000 0.746 225 E HN 0.521 nan 8.360 nan 0.000 0.450 226 G N 1.207 109.941 108.800 -0.109 0.000 2.422 226 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 226 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 226 G C 1.498 176.420 174.900 0.037 0.000 1.146 226 G CA 0.730 45.792 45.100 -0.063 0.000 0.769 226 G HN 0.311 nan 8.290 nan 0.000 0.547 227 L N 1.248 122.489 121.223 0.031 0.000 2.131 227 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 227 L C 2.231 179.143 176.870 0.070 0.000 1.092 227 L CA 1.490 56.368 54.840 0.064 0.000 0.759 227 L CB -0.593 41.472 42.059 0.010 0.000 0.903 227 L HN 0.081 nan 8.230 nan 0.000 0.435 228 N N 0.372 119.093 118.700 0.035 0.000 2.039 228 N HA -0.141 4.599 4.740 -0.000 0.000 0.193 228 N C 1.125 176.674 175.510 0.064 0.000 1.044 228 N CA 1.562 54.631 53.050 0.032 0.000 0.847 228 N CB -0.715 37.776 38.487 0.006 0.000 1.030 228 N HN 0.375 nan 8.380 nan 0.000 0.422 229 N N 0.862 119.592 118.700 0.049 0.000 2.485 229 N HA -0.040 4.700 4.740 -0.000 0.000 0.199 229 N C 1.049 176.605 175.510 0.077 0.000 1.236 229 N CA -0.144 52.932 53.050 0.044 0.000 0.852 229 N CB -0.592 37.893 38.487 -0.004 0.000 1.018 229 N HN 0.231 nan 8.380 nan 0.000 0.457 230 F N 2.085 122.017 119.950 -0.031 0.000 2.091 230 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 230 F C 1.538 177.326 175.800 -0.020 0.000 1.103 230 F CA 1.657 59.642 58.000 -0.025 0.000 1.228 230 F CB 0.057 39.046 39.000 -0.019 0.000 0.984 230 F HN -0.030 nan 8.300 nan 0.000 0.477 231 D N 0.363 120.906 120.400 0.238 0.000 2.106 231 D HA -0.258 4.382 4.640 -0.000 0.000 0.191 231 D C 2.182 178.458 176.300 -0.041 0.000 0.997 231 D CA 2.041 56.107 54.000 0.110 0.000 0.834 231 D CB -0.681 40.194 40.800 0.126 0.000 0.956 231 D HN 0.709 nan 8.370 nan 0.000 0.448 232 E N 0.489 120.671 120.200 -0.031 0.000 2.072 232 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 232 E C 2.310 178.844 176.600 -0.110 0.000 0.985 232 E CA 0.648 57.014 56.400 -0.057 0.000 0.801 232 E CB -0.514 29.167 29.700 -0.033 0.000 0.750 232 E HN 0.254 nan 8.360 nan 0.000 0.452 233 I N 0.820 121.301 120.570 -0.148 0.000 2.226 233 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 233 I C 2.499 178.453 176.117 -0.272 0.000 1.100 233 I CA 0.630 61.817 61.300 -0.189 0.000 1.374 233 I CB -0.281 37.608 38.000 -0.184 0.000 1.057 233 I HN 0.154 nan 8.210 nan 0.000 0.413 234 L N 0.884 121.837 121.223 -0.449 0.000 1.971 234 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 234 L C 2.530 179.260 176.870 -0.233 0.000 1.072 234 L CA 2.005 56.570 54.840 -0.458 0.000 0.758 234 L CB -1.007 40.718 42.059 -0.556 0.000 0.889 234 L HN 0.236 nan 8.230 nan 0.000 0.433 235 E N -0.040 120.058 120.200 -0.170 0.000 2.086 235 E HA -0.300 4.050 4.350 -0.000 0.000 0.205 235 E C 1.945 178.487 176.600 -0.096 0.000 1.027 235 E CA 2.026 58.364 56.400 -0.103 0.000 0.830 235 E CB -0.379 29.276 29.700 -0.074 0.000 0.751 235 E HN 0.618 nan 8.360 nan 0.000 0.456 236 A N 0.142 122.902 122.820 -0.101 0.000 2.119 236 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 236 A C 1.573 179.102 177.584 -0.092 0.000 1.152 236 A CA 0.548 52.535 52.037 -0.085 0.000 0.708 236 A CB 0.052 19.011 19.000 -0.069 0.000 0.805 236 A HN 0.181 nan 8.150 nan 0.000 0.460 237 S N -0.341 115.291 115.700 -0.114 0.000 2.694 237 S HA 0.288 4.758 4.470 -0.000 0.000 0.278 237 S C 0.142 174.664 174.600 -0.129 0.000 1.152 237 S CA -0.390 57.744 58.200 -0.110 0.000 1.010 237 S CB 0.561 63.689 63.200 -0.120 0.000 1.104 237 S HN 0.439 nan 8.310 nan 0.000 0.547 238 D N -0.132 120.190 120.400 -0.130 0.000 2.441 238 D HA 0.329 4.969 4.640 -0.000 0.000 0.210 238 D C 0.633 176.887 176.300 -0.076 0.000 1.102 238 D CA 0.314 54.195 54.000 -0.198 0.000 0.840 238 D CB 0.947 41.457 40.800 -0.483 0.000 0.990 238 D HN 0.604 nan 8.370 nan 0.000 0.505 239 G N 0.243 109.008 108.800 -0.058 0.000 2.340 239 G HA2 0.418 4.378 3.960 -0.000 0.000 0.299 239 G HA3 0.418 4.378 3.960 -0.000 0.000 0.299 239 G C -1.908 172.956 174.900 -0.059 0.000 1.291 239 G CA -0.548 44.526 45.100 -0.043 0.000 0.841 239 G HN -0.064 nan 8.290 nan 0.000 0.500 240 I N -0.166 120.381 120.570 -0.039 0.000 3.195 240 I HA 0.631 4.801 4.170 -0.000 0.000 0.313 240 I C -0.754 175.364 176.117 0.001 0.000 1.237 240 I CA -0.802 60.486 61.300 -0.020 0.000 0.963 240 I CB 2.207 40.212 38.000 0.008 0.000 1.278 240 I HN 0.736 nan 8.210 nan 0.000 0.460 241 M N 3.348 122.960 119.600 0.020 0.000 2.204 241 M HA 0.473 4.953 4.480 -0.000 0.000 0.293 241 M C -1.751 174.580 176.300 0.052 0.000 0.994 241 M CA -0.640 54.673 55.300 0.023 0.000 0.925 241 M CB 1.687 34.291 32.600 0.007 0.000 1.577 241 M HN 0.232 nan 8.290 nan 0.000 0.439 242 V N 4.815 124.760 119.914 0.052 0.000 2.339 242 V HA 0.378 4.498 4.120 -0.000 0.000 0.261 242 V C 0.490 176.605 176.094 0.036 0.000 1.058 242 V CA -0.409 61.922 62.300 0.051 0.000 0.897 242 V CB 0.467 32.314 31.823 0.039 0.000 1.052 242 V HN 0.868 nan 8.190 nan 0.000 0.480 243 A N 6.098 128.944 122.820 0.043 0.000 2.922 243 A HA 0.343 4.663 4.320 -0.000 0.000 0.298 243 A C 1.588 179.193 177.584 0.036 0.000 1.588 243 A CA -0.405 51.658 52.037 0.042 0.000 1.288 243 A CB -0.243 18.791 19.000 0.058 0.000 1.130 243 A HN 0.716 nan 8.150 nan 0.000 0.557 244 R N 1.768 122.281 120.500 0.023 0.000 2.103 244 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 244 R C 2.365 178.676 176.300 0.017 0.000 1.132 244 R CA 2.026 58.133 56.100 0.013 0.000 0.925 244 R CB -0.981 29.320 30.300 0.000 0.000 0.842 244 R HN 0.722 nan 8.270 nan 0.000 0.430 245 G N 1.696 110.508 108.800 0.019 0.000 2.491 245 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 245 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 245 G C 1.057 175.975 174.900 0.029 0.000 1.180 245 G CA 1.114 46.226 45.100 0.020 0.000 0.774 245 G HN 0.339 nan 8.290 nan 0.000 0.562 246 D N 0.215 120.639 120.400 0.040 0.000 2.218 246 D HA -0.039 4.601 4.640 -0.000 0.000 0.204 246 D C 2.557 178.895 176.300 0.062 0.000 0.976 246 D CA 0.428 54.462 54.000 0.057 0.000 0.853 246 D CB 0.043 40.890 40.800 0.078 0.000 0.939 246 D HN 0.296 nan 8.370 nan 0.000 0.481 247 L N 0.614 121.867 121.223 0.049 0.000 2.109 247 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 247 L C 2.591 179.480 176.870 0.032 0.000 1.086 247 L CA 0.956 55.821 54.840 0.042 0.000 0.760 247 L CB -0.470 41.606 42.059 0.029 0.000 0.910 247 L HN 0.049 nan 8.230 nan 0.000 0.437 248 G N -0.744 108.071 108.800 0.024 0.000 2.479 248 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 248 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 248 G C 1.462 176.375 174.900 0.022 0.000 1.115 248 G CA 0.869 45.979 45.100 0.017 0.000 0.757 248 G HN 0.251 nan 8.290 nan 0.000 0.560 249 V N -0.011 119.921 119.914 0.029 0.000 2.878 249 V HA 0.048 4.168 4.120 -0.000 0.000 0.250 249 V C 2.223 178.340 176.094 0.039 0.000 1.075 249 V CA 1.116 63.435 62.300 0.031 0.000 1.096 249 V CB 0.135 31.979 31.823 0.034 0.000 0.724 249 V HN 0.310 nan 8.190 nan 0.000 0.467 250 E N 0.390 120.619 120.200 0.047 0.000 2.474 250 E HA 0.278 4.628 4.350 -0.000 0.000 0.195 250 E C 0.314 176.936 176.600 0.036 0.000 1.039 250 E CA 0.264 56.695 56.400 0.051 0.000 0.881 250 E CB 0.732 30.478 29.700 0.076 0.000 0.970 250 E HN 0.725 nan 8.360 nan 0.000 0.486 251 I N -3.659 116.929 120.570 0.029 0.000 3.181 251 I HA 0.458 4.628 4.170 -0.000 0.000 0.311 251 I C -2.879 173.251 176.117 0.023 0.000 1.287 251 I CA -2.854 58.460 61.300 0.024 0.000 0.958 251 I CB 1.574 39.587 38.000 0.021 0.000 1.294 251 I HN -0.375 nan 8.210 nan 0.000 0.467 252 P HA 0.039 nan 4.420 nan 0.000 0.265 252 P C 1.121 178.438 177.300 0.028 0.000 1.187 252 P CA -0.308 62.807 63.100 0.026 0.000 0.766 252 P CB 0.711 32.427 31.700 0.028 0.000 0.820 253 V N 1.673 121.602 119.914 0.024 0.000 2.343 253 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 253 V C 1.855 177.964 176.094 0.025 0.000 1.051 253 V CA 2.003 64.313 62.300 0.018 0.000 1.036 253 V CB -1.461 30.370 31.823 0.013 0.000 0.654 253 V HN 0.615 nan 8.190 nan 0.000 0.451 254 E N 0.518 120.748 120.200 0.049 0.000 2.409 254 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 254 E C 1.692 178.389 176.600 0.162 0.000 1.024 254 E CA 1.283 57.738 56.400 0.092 0.000 0.861 254 E CB -0.365 29.400 29.700 0.108 0.000 0.788 254 E HN 0.693 nan 8.360 nan 0.000 0.521 255 E N 0.868 121.136 120.200 0.113 0.000 2.250 255 E HA -0.001 4.349 4.350 -0.000 0.000 0.192 255 E C 2.353 179.005 176.600 0.087 0.000 0.986 255 E CA 0.618 57.099 56.400 0.135 0.000 0.849 255 E CB 0.019 29.765 29.700 0.077 0.000 0.797 255 E HN 0.188 nan 8.360 nan 0.000 0.482 256 V N 1.720 121.646 119.914 0.019 0.000 2.261 256 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 256 V C 2.452 178.499 176.094 -0.078 0.000 1.047 256 V CA 1.492 63.781 62.300 -0.019 0.000 1.015 256 V CB -0.514 31.295 31.823 -0.023 0.000 0.642 256 V HN 0.162 nan 8.190 nan 0.000 0.446 257 I N -0.474 119.988 120.570 -0.181 0.000 2.423 257 I HA -0.220 3.950 4.170 -0.000 0.000 0.254 257 I C 1.982 177.879 176.117 -0.367 0.000 1.151 257 I CA 1.646 62.762 61.300 -0.306 0.000 1.421 257 I CB -0.388 37.334 38.000 -0.463 0.000 1.079 257 I HN 0.182 nan 8.210 nan 0.000 0.431 258 F N 0.331 120.258 119.950 -0.038 0.000 2.234 258 F HA 0.081 4.608 4.527 -0.000 0.000 0.296 258 F C 2.504 178.258 175.800 -0.076 0.000 1.089 258 F CA 0.978 58.947 58.000 -0.052 0.000 1.343 258 F CB -1.377 37.595 39.000 -0.047 0.000 1.040 258 F HN 0.071 nan 8.300 nan 0.000 0.498 259 A N -0.264 122.597 122.820 0.067 0.000 1.933 259 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 259 A C 2.225 179.765 177.584 -0.073 0.000 1.175 259 A CA 1.800 53.822 52.037 -0.026 0.000 0.628 259 A CB -0.925 18.062 19.000 -0.023 0.000 0.814 259 A HN 0.476 nan 8.150 nan 0.000 0.444 260 Q N -0.246 119.525 119.800 -0.049 0.000 2.079 260 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 260 Q C 1.903 177.880 176.000 -0.039 0.000 0.974 260 Q CA 1.798 57.576 55.803 -0.043 0.000 0.840 260 Q CB -0.152 28.560 28.738 -0.043 0.000 0.898 260 Q HN 0.644 nan 8.270 nan 0.000 0.430 261 K N -0.041 120.341 120.400 -0.030 0.000 2.097 261 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 261 K C 2.158 178.751 176.600 -0.011 0.000 1.050 261 K CA 1.369 57.657 56.287 0.001 0.000 0.938 261 K CB -0.113 32.418 32.500 0.051 0.000 0.718 261 K HN 0.308 nan 8.250 nan 0.000 0.442 262 M N 0.510 120.079 119.600 -0.051 0.000 2.156 262 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 262 M C 1.866 178.036 176.300 -0.218 0.000 1.067 262 M CA 1.589 56.812 55.300 -0.128 0.000 1.131 262 M CB -0.185 32.315 32.600 -0.167 0.000 1.368 262 M HN 0.184 nan 8.290 nan 0.000 0.416 263 M N 0.272 119.688 119.600 -0.308 0.000 2.073 263 M HA -0.275 4.205 4.480 -0.000 0.000 0.258 263 M C 2.195 178.547 176.300 0.086 0.000 1.070 263 M CA 1.874 57.025 55.300 -0.249 0.000 1.103 263 M CB -0.780 31.752 32.600 -0.113 0.000 1.321 263 M HN 0.274 nan 8.290 nan 0.000 0.405 264 I N -0.110 120.490 120.570 0.050 0.000 2.208 264 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 264 I C 2.583 178.752 176.117 0.087 0.000 1.097 264 I CA 1.584 62.933 61.300 0.081 0.000 1.363 264 I CB -0.556 37.479 38.000 0.057 0.000 1.051 264 I HN 0.445 nan 8.210 nan 0.000 0.413 265 E N 1.719 121.950 120.200 0.051 0.000 2.051 265 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 265 E C 2.076 178.723 176.600 0.077 0.000 0.991 265 E CA 1.389 57.820 56.400 0.051 0.000 0.799 265 E CB 0.016 29.727 29.700 0.019 0.000 0.748 265 E HN 0.428 nan 8.360 nan 0.000 0.449 266 K N -0.072 120.386 120.400 0.096 0.000 2.283 266 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 266 K C 2.265 178.968 176.600 0.173 0.000 1.048 266 K CA 0.920 57.302 56.287 0.158 0.000 0.948 266 K CB -0.080 32.586 32.500 0.277 0.000 0.742 266 K HN 0.256 nan 8.250 nan 0.000 0.458 267 C N 1.033 120.441 119.300 0.180 0.000 2.473 267 C HA -0.059 4.401 4.460 -0.000 0.000 0.279 267 C C 2.514 177.545 174.990 0.069 0.000 1.250 267 C CA 0.365 59.457 59.018 0.124 0.000 1.713 267 C CB -0.646 27.165 27.740 0.119 0.000 2.066 267 C HN 0.416 nan 8.230 nan 0.000 0.474 268 I N 0.542 121.160 120.570 0.081 0.000 2.143 268 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 268 I C 2.743 178.868 176.117 0.013 0.000 1.068 268 I CA 1.813 63.152 61.300 0.066 0.000 1.326 268 I CB -0.722 37.387 38.000 0.182 0.000 1.028 268 I HN 0.389 nan 8.210 nan 0.000 0.412 269 R N 0.430 120.948 120.500 0.031 0.000 2.148 269 R HA -0.062 4.278 4.340 -0.000 0.000 0.227 269 R C 2.127 178.431 176.300 0.007 0.000 1.103 269 R CA 1.215 57.322 56.100 0.012 0.000 0.983 269 R CB -0.213 30.111 30.300 0.040 0.000 0.874 269 R HN 0.397 nan 8.270 nan 0.000 0.451 270 A N 0.242 123.072 122.820 0.017 0.000 2.251 270 A HA 0.051 4.371 4.320 -0.000 0.000 0.209 270 A C 0.502 178.081 177.584 -0.008 0.000 1.187 270 A CA 0.004 52.046 52.037 0.008 0.000 0.823 270 A CB 0.028 19.035 19.000 0.012 0.000 0.846 270 A HN 0.297 nan 8.150 nan 0.000 0.486 271 R N -1.487 119.000 120.500 -0.022 0.000 3.770 271 R HA -0.147 4.193 4.340 -0.000 0.000 0.305 271 R C -0.701 175.590 176.300 -0.015 0.000 1.184 271 R CA 1.373 57.455 56.100 -0.031 0.000 0.823 271 R CB -1.924 28.364 30.300 -0.020 0.000 1.285 271 R HN 0.570 nan 8.270 nan 0.000 0.499 272 K N 0.261 120.654 120.400 -0.011 0.000 2.208 272 K HA 0.548 4.868 4.320 -0.000 0.000 0.247 272 K C 0.282 176.882 176.600 -0.000 0.000 0.953 272 K CA -0.699 55.585 56.287 -0.005 0.000 0.837 272 K CB 2.118 34.602 32.500 -0.026 0.000 1.131 272 K HN 0.007 nan 8.250 nan 0.000 0.431 273 V N -1.138 118.780 119.914 0.006 0.000 2.785 273 V HA 0.607 4.727 4.120 -0.000 0.000 0.300 273 V C -0.309 175.772 176.094 -0.021 0.000 1.062 273 V CA -0.663 61.629 62.300 -0.013 0.000 1.029 273 V CB 1.466 33.270 31.823 -0.031 0.000 1.024 273 V HN 0.487 nan 8.190 nan 0.000 0.477 274 V N 5.277 125.181 119.914 -0.018 0.000 2.733 274 V HA 0.588 4.708 4.120 -0.000 0.000 0.306 274 V C -0.646 175.436 176.094 -0.020 0.000 1.084 274 V CA -0.542 61.757 62.300 -0.002 0.000 0.905 274 V CB 1.821 33.670 31.823 0.044 0.000 1.010 274 V HN 0.909 nan 8.190 nan 0.000 0.424 275 I N 5.559 126.110 120.570 -0.032 0.000 2.321 275 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 275 I C 0.197 176.312 176.117 -0.005 0.000 0.998 275 I CA -0.209 61.070 61.300 -0.035 0.000 1.227 275 I CB 1.976 39.938 38.000 -0.062 0.000 1.368 275 I HN 0.527 nan 8.210 nan 0.000 0.466 276 T N 5.702 120.257 114.554 0.002 0.000 2.767 276 T HA 0.502 4.852 4.350 -0.000 0.000 0.288 276 T C 0.088 174.792 174.700 0.006 0.000 0.963 276 T CA -0.480 61.625 62.100 0.009 0.000 1.019 276 T CB 1.196 70.070 68.868 0.010 0.000 0.923 276 T HN 0.660 nan 8.240 nan 0.000 0.468 277 A N 3.666 126.492 122.820 0.010 0.000 2.412 277 A HA 0.595 4.915 4.320 -0.000 0.000 0.334 277 A C 0.874 178.463 177.584 0.009 0.000 1.419 277 A CA -0.832 51.212 52.037 0.012 0.000 0.930 277 A CB -0.109 18.902 19.000 0.018 0.000 1.149 277 A HN 0.845 nan 8.150 nan 0.000 0.515 278 T N -1.613 112.944 114.554 0.005 0.000 2.814 278 T HA 0.663 5.013 4.350 -0.000 0.000 0.284 278 T C 1.157 175.859 174.700 0.004 0.000 0.998 278 T CA 0.142 62.242 62.100 0.000 0.000 0.935 278 T CB 0.231 69.096 68.868 -0.004 0.000 1.167 278 T HN 1.414 nan 8.240 nan 0.000 0.545 290 P HA 0.528 nan 4.420 nan 0.000 0.278 290 P C -0.086 177.214 177.300 -0.000 0.000 1.258 290 P CA -0.029 63.071 63.100 0.001 0.000 0.811 290 P CB 1.115 32.816 31.700 0.002 0.000 1.063 291 T N -1.894 112.660 114.554 -0.001 0.000 2.926 291 T HA 0.038 4.388 4.350 -0.000 0.000 0.307 291 T C 0.735 175.434 174.700 -0.003 0.000 1.059 291 T CA -0.261 61.838 62.100 -0.002 0.000 1.122 291 T CB 0.301 69.168 68.868 -0.003 0.000 0.972 291 T HN 0.236 nan 8.240 nan 0.000 0.545 292 D N 2.187 122.585 120.400 -0.003 0.000 2.133 292 D HA -0.151 4.489 4.640 -0.000 0.000 0.192 292 D C 2.336 178.632 176.300 -0.006 0.000 1.001 292 D CA 2.052 56.050 54.000 -0.004 0.000 0.844 292 D CB -0.759 40.039 40.800 -0.004 0.000 0.944 292 D HN 0.811 nan 8.370 nan 0.000 0.447 293 A N 0.767 123.583 122.820 -0.007 0.000 1.884 293 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 293 A C 2.070 179.647 177.584 -0.011 0.000 1.197 293 A CA 2.238 54.269 52.037 -0.011 0.000 0.637 293 A CB -0.763 18.231 19.000 -0.011 0.000 0.827 293 A HN 0.339 nan 8.150 nan 0.000 0.450 294 E N -0.513 119.682 120.200 -0.008 0.000 2.072 294 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 294 E C 2.285 178.882 176.600 -0.005 0.000 0.985 294 E CA 0.911 57.307 56.400 -0.007 0.000 0.801 294 E CB -0.320 29.377 29.700 -0.004 0.000 0.750 294 E HN 0.626 nan 8.360 nan 0.000 0.452 295 A N 1.068 123.886 122.820 -0.004 0.000 2.019 295 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 295 A C 2.308 179.890 177.584 -0.003 0.000 1.164 295 A CA 1.560 53.596 52.037 -0.002 0.000 0.644 295 A CB -0.675 18.325 19.000 -0.000 0.000 0.805 295 A HN 0.346 nan 8.150 nan 0.000 0.449 296 G N -1.034 107.762 108.800 -0.007 0.000 2.539 296 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.215 296 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.215 296 G C 1.183 176.074 174.900 -0.015 0.000 1.141 296 G CA 1.019 46.113 45.100 -0.010 0.000 0.806 296 G HN 0.473 nan 8.290 nan 0.000 0.533 297 D N 0.179 120.570 120.400 -0.016 0.000 2.144 297 D HA -0.075 4.564 4.640 -0.000 0.000 0.200 297 D C 2.587 178.876 176.300 -0.017 0.000 0.978 297 D CA 0.554 54.541 54.000 -0.022 0.000 0.833 297 D CB 0.060 40.847 40.800 -0.022 0.000 0.961 297 D HN 0.124 nan 8.370 nan 0.000 0.470 298 V N 0.648 120.557 119.914 -0.009 0.000 2.270 298 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 298 V C 2.571 178.665 176.094 0.001 0.000 1.043 298 V CA 1.704 64.003 62.300 -0.002 0.000 1.014 298 V CB -0.940 30.884 31.823 0.002 0.000 0.645 298 V HN 0.283 nan 8.190 nan 0.000 0.447 299 A N 0.532 123.352 122.820 0.000 0.000 1.958 299 A HA -0.298 4.022 4.320 -0.000 0.000 0.221 299 A C 2.021 179.604 177.584 -0.001 0.000 1.178 299 A CA 2.332 54.371 52.037 0.003 0.000 0.642 299 A CB -0.760 18.240 19.000 0.000 0.000 0.816 299 A HN 0.643 nan 8.150 nan 0.000 0.453 300 N N 0.061 118.754 118.700 -0.011 0.000 2.244 300 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 300 N C 1.910 177.410 175.510 -0.016 0.000 1.016 300 N CA 1.325 54.363 53.050 -0.020 0.000 0.866 300 N CB -0.454 38.012 38.487 -0.036 0.000 0.980 300 N HN 0.513 nan 8.380 nan 0.000 0.430 301 A N 1.557 124.371 122.820 -0.009 0.000 1.873 301 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 301 A C 2.326 179.923 177.584 0.022 0.000 1.186 301 A CA 0.803 52.840 52.037 0.001 0.000 0.616 301 A CB -0.628 18.374 19.000 0.003 0.000 0.823 301 A HN 0.151 nan 8.150 nan 0.000 0.442 302 I N -0.233 120.352 120.570 0.026 0.000 2.127 302 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 302 I C 2.397 178.543 176.117 0.047 0.000 1.075 302 I CA 1.324 62.653 61.300 0.047 0.000 1.334 302 I CB -0.375 37.650 38.000 0.042 0.000 1.040 302 I HN 0.293 nan 8.210 nan 0.000 0.405 303 L N 0.171 121.403 121.223 0.015 0.000 2.079 303 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 303 L C 1.930 178.780 176.870 -0.034 0.000 1.081 303 L CA 1.182 56.016 54.840 -0.010 0.000 0.752 303 L CB -0.679 41.370 42.059 -0.017 0.000 0.896 303 L HN 0.294 nan 8.230 nan 0.000 0.433 304 D N 0.012 120.402 120.400 -0.017 0.000 2.310 304 D HA -0.040 4.600 4.640 -0.000 0.000 0.212 304 D C 1.553 177.856 176.300 0.005 0.000 0.965 304 D CA 1.219 55.208 54.000 -0.019 0.000 0.879 304 D CB 0.152 40.950 40.800 -0.003 0.000 0.921 304 D HN 0.444 nan 8.370 nan 0.000 0.510 305 G N 0.695 109.532 108.800 0.062 0.000 2.140 305 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.211 305 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.211 305 G C 0.482 175.526 174.900 0.241 0.000 1.013 305 G CA 0.333 45.575 45.100 0.236 0.000 0.705 305 G HN 0.387 nan 8.290 nan 0.000 0.508 306 T N -0.632 113.999 114.554 0.128 0.000 2.926 306 T HA 0.356 4.706 4.350 -0.000 0.000 0.307 306 T C 1.616 176.353 174.700 0.062 0.000 1.059 306 T CA 0.977 63.125 62.100 0.081 0.000 1.122 306 T CB 0.400 69.295 68.868 0.045 0.000 0.972 306 T HN 0.223 nan 8.240 nan 0.000 0.545 307 D N 2.035 122.447 120.400 0.021 0.000 2.084 307 D HA 0.227 4.867 4.640 -0.000 0.000 0.196 307 D C 0.452 176.748 176.300 -0.006 0.000 0.985 307 D CA 1.470 55.462 54.000 -0.013 0.000 0.826 307 D CB 0.116 40.894 40.800 -0.036 0.000 0.978 307 D HN 0.678 nan 8.370 nan 0.000 0.456 308 A N -0.389 122.424 122.820 -0.011 0.000 2.539 308 A HA 0.601 4.921 4.320 -0.000 0.000 0.296 308 A C -1.093 176.487 177.584 -0.006 0.000 1.073 308 A CA -0.812 51.219 52.037 -0.011 0.000 0.700 308 A CB 1.487 20.469 19.000 -0.031 0.000 1.296 308 A HN 0.083 nan 8.150 nan 0.000 0.405 309 V N -0.197 119.717 119.914 -0.000 0.000 2.483 309 V HA 0.807 4.927 4.120 -0.000 0.000 0.295 309 V C -0.083 176.013 176.094 0.002 0.000 1.035 309 V CA -0.695 61.608 62.300 0.004 0.000 0.896 309 V CB 1.297 33.125 31.823 0.009 0.000 0.986 309 V HN 1.078 nan 8.190 nan 0.000 0.447 310 M N 5.100 124.703 119.600 0.004 0.000 2.472 310 M HA 0.625 5.105 4.480 -0.000 0.000 0.331 310 M C -1.660 174.649 176.300 0.014 0.000 1.170 310 M CA -0.717 54.589 55.300 0.008 0.000 1.009 310 M CB 1.812 34.416 32.600 0.007 0.000 1.672 310 M HN 0.747 nan 8.290 nan 0.000 0.453 311 L N 2.984 124.219 121.223 0.019 0.000 2.307 311 L HA 0.458 4.798 4.340 -0.000 0.000 0.284 311 L C -0.065 176.822 176.870 0.028 0.000 1.023 311 L CA -0.425 54.428 54.840 0.021 0.000 0.810 311 L CB 2.032 44.104 42.059 0.021 0.000 1.231 311 L HN 0.874 nan 8.230 nan 0.000 0.423 312 S N 1.160 116.876 115.700 0.027 0.000 3.006 312 S HA 0.206 4.676 4.470 -0.000 0.000 0.225 312 S C 1.413 176.032 174.600 0.032 0.000 1.097 312 S CA 0.130 58.350 58.200 0.034 0.000 1.260 312 S CB 0.184 63.405 63.200 0.036 0.000 1.085 312 S HN 0.849 nan 8.310 nan 0.000 0.568 313 G N 0.677 109.495 108.800 0.030 0.000 2.621 313 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 313 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 313 G C 0.353 175.258 174.900 0.008 0.000 1.127 313 G CA 0.823 45.933 45.100 0.017 0.000 0.747 313 G HN 0.552 nan 8.290 nan 0.000 0.561 322 L N 1.140 122.368 121.223 0.008 0.000 2.270 322 L HA 0.132 4.472 4.340 -0.000 0.000 0.210 322 L C 1.837 178.713 176.870 0.009 0.000 1.104 322 L CA 1.972 56.818 54.840 0.010 0.000 0.804 322 L CB -0.251 41.813 42.059 0.009 0.000 0.937 322 L HN -0.051 nan 8.230 nan 0.000 0.450 323 E N -0.247 119.958 120.200 0.008 0.000 2.208 323 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 323 E C 2.238 178.843 176.600 0.008 0.000 0.988 323 E CA 1.028 57.432 56.400 0.007 0.000 0.828 323 E CB -0.445 29.258 29.700 0.006 0.000 0.763 323 E HN 0.537 nan 8.360 nan 0.000 0.478 324 A N 0.604 123.429 122.820 0.008 0.000 1.865 324 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 324 A C 2.448 180.039 177.584 0.011 0.000 1.191 324 A CA 1.657 53.699 52.037 0.009 0.000 0.623 324 A CB -0.915 18.091 19.000 0.010 0.000 0.826 324 A HN 0.150 nan 8.150 nan 0.000 0.444 325 V N -0.092 119.829 119.914 0.013 0.000 2.287 325 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 325 V C 2.812 178.914 176.094 0.014 0.000 1.053 325 V CA 2.394 64.702 62.300 0.014 0.000 1.027 325 V CB -1.019 30.814 31.823 0.016 0.000 0.646 325 V HN 0.569 nan 8.190 nan 0.000 0.447 326 S N -0.226 115.481 115.700 0.012 0.000 2.359 326 S HA -0.226 4.243 4.470 -0.000 0.000 0.222 326 S C 1.935 176.541 174.600 0.012 0.000 1.038 326 S CA 2.056 60.263 58.200 0.012 0.000 1.051 326 S CB -0.471 62.735 63.200 0.011 0.000 0.944 326 S HN 0.460 nan 8.310 nan 0.000 0.433 327 I N 1.135 121.711 120.570 0.010 0.000 2.264 327 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 327 I C 2.194 178.317 176.117 0.010 0.000 1.111 327 I CA 1.259 62.565 61.300 0.009 0.000 1.382 327 I CB -0.405 37.599 38.000 0.008 0.000 1.060 327 I HN 0.225 nan 8.210 nan 0.000 0.418 328 M N 0.383 119.990 119.600 0.011 0.000 2.065 328 M HA -0.175 4.305 4.480 -0.000 0.000 0.259 328 M C 2.252 178.560 176.300 0.014 0.000 1.069 328 M CA 2.375 57.682 55.300 0.012 0.000 1.110 328 M CB -0.774 31.833 32.600 0.013 0.000 1.328 328 M HN 0.292 nan 8.290 nan 0.000 0.405 329 A N -1.056 121.772 122.820 0.014 0.000 1.877 329 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 329 A C 2.254 179.847 177.584 0.016 0.000 1.186 329 A CA 2.531 54.578 52.037 0.016 0.000 0.620 329 A CB -1.772 17.238 19.000 0.017 0.000 0.822 329 A HN 0.692 nan 8.150 nan 0.000 0.443 330 T N -2.007 112.556 114.554 0.014 0.000 2.977 330 T HA -0.030 4.320 4.350 -0.000 0.000 0.271 330 T C 1.675 176.383 174.700 0.014 0.000 1.105 330 T CA 1.495 63.603 62.100 0.014 0.000 1.116 330 T CB -0.510 68.366 68.868 0.012 0.000 0.878 330 T HN 0.364 nan 8.240 nan 0.000 0.509 331 I N 0.215 120.793 120.570 0.014 0.000 2.400 331 I HA -0.025 4.145 4.170 -0.000 0.000 0.248 331 I C 2.725 178.852 176.117 0.017 0.000 1.109 331 I CA 0.460 61.768 61.300 0.013 0.000 1.425 331 I CB -0.290 37.716 38.000 0.011 0.000 1.094 331 I HN 0.337 nan 8.210 nan 0.000 0.425 332 C N 0.553 119.864 119.300 0.018 0.000 2.413 332 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 332 C C 2.792 177.797 174.990 0.026 0.000 1.265 332 C CA 0.900 59.932 59.018 0.023 0.000 1.752 332 C CB -0.928 26.826 27.740 0.023 0.000 1.998 332 C HN 0.527 nan 8.230 nan 0.000 0.489 333 E N 1.467 121.681 120.200 0.023 0.000 2.072 333 E HA -0.192 4.157 4.350 -0.000 0.000 0.190 333 E C 2.261 178.875 176.600 0.024 0.000 0.982 333 E CA 1.167 57.581 56.400 0.024 0.000 0.803 333 E CB -0.386 29.327 29.700 0.022 0.000 0.755 333 E HN 0.460 nan 8.360 nan 0.000 0.453 334 R N 0.356 120.868 120.500 0.020 0.000 2.159 334 R HA -0.052 4.288 4.340 -0.000 0.000 0.237 334 R C 1.972 178.284 176.300 0.020 0.000 1.131 334 R CA 2.047 58.158 56.100 0.018 0.000 0.982 334 R CB -0.702 29.606 30.300 0.014 0.000 0.868 334 R HN 0.153 nan 8.270 nan 0.000 0.453 335 T N 0.134 114.701 114.554 0.023 0.000 2.904 335 T HA 0.023 4.373 4.350 -0.000 0.000 0.243 335 T C 0.980 175.701 174.700 0.035 0.000 1.024 335 T CA 0.931 63.047 62.100 0.025 0.000 1.158 335 T CB -0.219 68.664 68.868 0.025 0.000 0.867 335 T HN 0.204 nan 8.240 nan 0.000 0.429 336 D N 2.095 122.521 120.400 0.043 0.000 2.158 336 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 336 D C 2.147 178.478 176.300 0.051 0.000 0.995 336 D CA 0.951 54.984 54.000 0.057 0.000 0.846 336 D CB -0.355 40.477 40.800 0.053 0.000 0.941 336 D HN 0.537 nan 8.370 nan 0.000 0.456 337 R N 0.931 121.454 120.500 0.039 0.000 2.377 337 R HA -0.050 4.290 4.340 -0.000 0.000 0.207 337 R C 1.336 177.656 176.300 0.033 0.000 1.075 337 R CA 0.897 57.019 56.100 0.035 0.000 1.035 337 R CB -0.210 30.107 30.300 0.029 0.000 0.857 337 R HN 0.278 nan 8.270 nan 0.000 0.475 338 V N -4.082 115.852 119.914 0.033 0.000 3.337 338 V HA 0.353 4.473 4.120 -0.000 0.000 0.307 338 V C 0.600 176.709 176.094 0.026 0.000 1.505 338 V CA -0.656 61.660 62.300 0.026 0.000 1.072 338 V CB -0.070 31.763 31.823 0.017 0.000 0.929 338 V HN 0.074 nan 8.190 nan 0.000 0.455 339 M N 1.691 121.314 119.600 0.039 0.000 2.159 339 M HA 0.482 4.962 4.480 -0.000 0.000 0.293 339 M C -0.156 176.171 176.300 0.046 0.000 1.186 339 M CA 0.269 55.591 55.300 0.037 0.000 1.073 339 M CB 0.593 33.235 32.600 0.071 0.000 1.419 339 M HN 0.331 nan 8.290 nan 0.000 0.490 340 N N -0.572 118.148 118.700 0.035 0.000 2.525 340 N HA 0.320 5.060 4.740 -0.000 0.000 0.270 340 N C -1.196 174.363 175.510 0.082 0.000 1.321 340 N CA -0.463 52.618 53.050 0.051 0.000 0.797 340 N CB 1.749 40.250 38.487 0.024 0.000 1.529 340 N HN 0.712 nan 8.380 nan 0.000 0.491 341 S N 0.365 116.133 115.700 0.113 0.000 2.592 341 S HA 0.241 4.711 4.470 -0.000 0.000 0.256 341 S C 0.083 174.761 174.600 0.129 0.000 1.369 341 S CA -0.184 58.121 58.200 0.175 0.000 0.984 341 S CB 0.572 63.868 63.200 0.161 0.000 0.919 341 S HN 0.501 nan 8.310 nan 0.000 0.576 342 R N 0.667 121.289 120.500 0.204 0.000 2.629 342 R HA 0.334 4.674 4.340 -0.000 0.000 0.275 342 R C -0.033 176.419 176.300 0.253 0.000 1.719 342 R CA -0.160 56.027 56.100 0.145 0.000 1.472 342 R CB 0.271 30.616 30.300 0.075 0.000 1.237 342 R HN 0.565 nan 8.270 nan 0.000 0.589 343 L N 0.904 122.229 121.223 0.170 0.000 2.162 343 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 343 L C 1.745 178.681 176.870 0.110 0.000 1.086 343 L CA 0.918 55.841 54.840 0.139 0.000 0.778 343 L CB -0.333 41.763 42.059 0.062 0.000 0.928 343 L HN 0.621 nan 8.230 nan 0.000 0.446 355 T N 1.839 116.415 114.554 0.037 0.000 2.721 355 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 355 T C 1.515 176.260 174.700 0.075 0.000 1.038 355 T CA 1.860 63.989 62.100 0.049 0.000 1.145 355 T CB -0.199 68.700 68.868 0.052 0.000 0.858 355 T HN 0.291 nan 8.240 nan 0.000 0.459 356 E N 1.314 121.567 120.200 0.089 0.000 2.031 356 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 356 E C 2.677 179.294 176.600 0.028 0.000 0.994 356 E CA 1.299 57.780 56.400 0.134 0.000 0.800 356 E CB -0.781 29.001 29.700 0.138 0.000 0.752 356 E HN 0.540 nan 8.360 nan 0.000 0.447 357 A N 1.424 124.250 122.820 0.010 0.000 1.865 357 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 357 A C 2.701 180.253 177.584 -0.053 0.000 1.191 357 A CA 1.894 53.911 52.037 -0.033 0.000 0.623 357 A CB -0.957 18.037 19.000 -0.010 0.000 0.826 357 A HN 0.129 nan 8.150 nan 0.000 0.444 358 V N -0.517 119.388 119.914 -0.014 0.000 2.282 358 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 358 V C 2.701 178.781 176.094 -0.023 0.000 1.057 358 V CA 2.281 64.578 62.300 -0.005 0.000 1.032 358 V CB -1.162 30.674 31.823 0.022 0.000 0.645 358 V HN 0.735 nan 8.190 nan 0.000 0.447 359 C N -0.868 118.426 119.300 -0.010 0.000 2.440 359 C HA -0.091 4.369 4.460 -0.000 0.000 0.278 359 C C 2.848 177.708 174.990 -0.216 0.000 1.295 359 C CA 0.781 59.795 59.018 -0.006 0.000 1.738 359 C CB -1.208 26.627 27.740 0.158 0.000 1.987 359 C HN 0.498 nan 8.230 nan 0.000 0.492 360 R N 1.030 121.226 120.500 -0.506 0.000 2.066 360 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 360 R C 2.386 178.487 176.300 -0.332 0.000 1.131 360 R CA 1.806 57.406 56.100 -0.834 0.000 0.955 360 R CB -0.795 29.069 30.300 -0.727 0.000 0.851 360 R HN 0.581 nan 8.270 nan 0.000 0.432 361 G N 0.383 109.066 108.800 -0.195 0.000 2.514 361 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.217 361 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.217 361 G C 1.530 176.392 174.900 -0.063 0.000 1.198 361 G CA 1.240 46.281 45.100 -0.099 0.000 0.780 361 G HN 0.496 nan 8.290 nan 0.000 0.565 362 A N -0.081 122.713 122.820 -0.044 0.000 1.903 362 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 362 A C 2.661 180.248 177.584 0.004 0.000 1.191 362 A CA 2.562 54.600 52.037 0.001 0.000 0.638 362 A CB -0.898 18.118 19.000 0.026 0.000 0.823 362 A HN 0.391 nan 8.150 nan 0.000 0.451 363 V N -0.023 119.881 119.914 -0.015 0.000 2.295 363 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 363 V C 2.568 178.669 176.094 0.011 0.000 1.049 363 V CA 2.355 64.667 62.300 0.020 0.000 1.024 363 V CB -0.837 31.016 31.823 0.050 0.000 0.648 363 V HN 0.823 nan 8.190 nan 0.000 0.447 364 E N 0.242 120.426 120.200 -0.026 0.000 2.031 364 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 364 E C 2.201 178.799 176.600 -0.003 0.000 0.994 364 E CA 2.075 58.467 56.400 -0.013 0.000 0.800 364 E CB -0.248 29.430 29.700 -0.036 0.000 0.752 364 E HN 0.590 nan 8.360 nan 0.000 0.447 365 T N 0.857 115.405 114.554 -0.010 0.000 2.720 365 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 365 T C 1.882 176.586 174.700 0.007 0.000 1.037 365 T CA 1.435 63.533 62.100 -0.004 0.000 1.144 365 T CB -0.435 68.430 68.868 -0.006 0.000 0.864 365 T HN 0.400 nan 8.240 nan 0.000 0.444 366 A N 1.687 124.516 122.820 0.015 0.000 1.892 366 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 366 A C 2.226 179.825 177.584 0.025 0.000 1.188 366 A CA 1.859 53.911 52.037 0.026 0.000 0.631 366 A CB -0.573 18.449 19.000 0.037 0.000 0.822 366 A HN 0.588 nan 8.150 nan 0.000 0.447 367 E N -0.454 119.762 120.200 0.027 0.000 2.107 367 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 367 E C 2.090 178.702 176.600 0.021 0.000 0.982 367 E CA 1.047 57.465 56.400 0.029 0.000 0.809 367 E CB -0.131 29.590 29.700 0.036 0.000 0.756 367 E HN 0.600 nan 8.360 nan 0.000 0.459 368 K N 0.749 121.158 120.400 0.014 0.000 2.002 368 K HA -0.085 4.235 4.320 -0.000 0.000 0.209 368 K C 2.088 178.692 176.600 0.008 0.000 1.048 368 K CA 0.980 57.272 56.287 0.009 0.000 0.930 368 K CB -0.177 32.325 32.500 0.003 0.000 0.714 368 K HN 0.124 nan 8.250 nan 0.000 0.438 369 L N 1.066 122.293 121.223 0.007 0.000 2.622 369 L HA -0.083 4.257 4.340 -0.000 0.000 0.233 369 L C -0.302 176.575 176.870 0.012 0.000 1.156 369 L CA 0.375 55.218 54.840 0.006 0.000 0.866 369 L CB -0.487 41.574 42.059 0.002 0.000 0.980 369 L HN 0.313 nan 8.230 nan 0.000 0.448 370 D N -0.762 119.648 120.400 0.016 0.000 2.981 370 D HA -0.146 4.494 4.640 -0.000 0.000 0.223 370 D C 0.573 176.888 176.300 0.024 0.000 1.151 370 D CA 1.000 55.013 54.000 0.021 0.000 0.827 370 D CB -0.936 39.876 40.800 0.020 0.000 1.101 370 D HN 0.389 nan 8.370 nan 0.000 0.426 371 A N 0.914 123.748 122.820 0.024 0.000 2.520 371 A HA 0.348 4.668 4.320 -0.000 0.000 0.245 371 A C -0.489 177.111 177.584 0.027 0.000 1.072 371 A CA -0.393 51.659 52.037 0.025 0.000 0.761 371 A CB 0.491 19.506 19.000 0.026 0.000 1.004 371 A HN 0.018 nan 8.150 nan 0.000 0.499 372 P HA 0.139 nan 4.420 nan 0.000 0.235 372 P C -0.107 177.201 177.300 0.014 0.000 1.177 372 P CA 0.518 63.630 63.100 0.021 0.000 0.785 372 P CB 0.154 31.864 31.700 0.017 0.000 0.885 373 L N -1.012 120.218 121.223 0.013 0.000 2.600 373 L HA 0.526 4.866 4.340 -0.000 0.000 0.257 373 L C -1.636 175.250 176.870 0.026 0.000 1.048 373 L CA -1.169 53.678 54.840 0.013 0.000 0.869 373 L CB 2.278 44.332 42.059 -0.009 0.000 1.482 373 L HN -0.327 nan 8.230 nan 0.000 0.408 374 I N 2.434 123.025 120.570 0.036 0.000 2.503 374 I HA 0.352 4.522 4.170 -0.000 0.000 0.282 374 I C -0.866 175.294 176.117 0.072 0.000 1.059 374 I CA -0.726 60.609 61.300 0.058 0.000 1.081 374 I CB 1.888 39.928 38.000 0.067 0.000 1.210 374 I HN 0.184 nan 8.210 nan 0.000 0.450 375 V N 6.997 126.958 119.914 0.078 0.000 2.686 375 V HA 0.378 4.498 4.120 -0.000 0.000 0.295 375 V C 0.097 176.339 176.094 0.245 0.000 1.055 375 V CA -0.243 62.124 62.300 0.111 0.000 1.050 375 V CB 1.683 33.519 31.823 0.022 0.000 0.984 375 V HN 0.413 nan 8.190 nan 0.000 0.482 376 V N 2.849 122.921 119.914 0.262 0.000 2.808 376 V HA 0.733 4.853 4.120 -0.000 0.000 0.308 376 V C 0.026 176.220 176.094 0.167 0.000 1.099 376 V CA -0.635 61.807 62.300 0.238 0.000 0.920 376 V CB 1.931 33.820 31.823 0.110 0.000 1.014 376 V HN 1.039 nan 8.190 nan 0.000 0.425 377 A N 2.402 125.155 122.820 -0.112 0.000 2.303 377 A HA 0.910 5.230 4.320 -0.000 0.000 0.317 377 A C -0.064 177.421 177.584 -0.165 0.000 1.149 377 A CA -0.367 51.521 52.037 -0.248 0.000 0.822 377 A CB 1.497 19.992 19.000 -0.841 0.000 1.131 377 A HN 0.942 nan 8.150 nan 0.000 0.493 378 T N -0.100 114.392 114.554 -0.103 0.000 3.012 378 T HA 0.337 4.687 4.350 -0.000 0.000 0.330 378 T C -0.000 174.658 174.700 -0.070 0.000 1.321 378 T CA -0.384 61.670 62.100 -0.077 0.000 1.067 378 T CB 1.568 70.413 68.868 -0.039 0.000 1.235 378 T HN 0.633 nan 8.240 nan 0.000 0.479 379 Q N 2.760 122.520 119.800 -0.066 0.000 2.389 379 Q HA 0.274 4.614 4.340 -0.000 0.000 0.201 379 Q C 1.967 177.936 176.000 -0.050 0.000 0.956 379 Q CA 1.703 57.470 55.803 -0.061 0.000 0.871 379 Q CB -0.336 28.367 28.738 -0.059 0.000 0.990 379 Q HN 0.879 nan 8.270 nan 0.000 0.554 380 G N -0.802 107.978 108.800 -0.034 0.000 2.813 380 G HA2 0.185 4.145 3.960 -0.000 0.000 0.209 380 G HA3 0.185 4.145 3.960 -0.000 0.000 0.209 380 G C 0.946 175.849 174.900 0.004 0.000 1.150 380 G CA 0.752 45.845 45.100 -0.012 0.000 0.785 380 G HN 0.607 nan 8.290 nan 0.000 0.535 381 G N 0.369 109.164 108.800 -0.008 0.000 2.253 381 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.251 381 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.251 381 G C 1.351 176.267 174.900 0.027 0.000 0.998 381 G CA 0.955 46.059 45.100 0.007 0.000 0.621 381 G HN 0.525 nan 8.290 nan 0.000 0.524 382 K N 0.995 121.412 120.400 0.029 0.000 2.001 382 K HA -0.216 4.104 4.320 -0.000 0.000 0.223 382 K C 2.916 179.529 176.600 0.022 0.000 1.055 382 K CA 2.492 58.796 56.287 0.028 0.000 0.965 382 K CB -0.600 31.911 32.500 0.019 0.000 0.730 382 K HN 0.801 nan 8.250 nan 0.000 0.449 383 S N 0.786 116.493 115.700 0.012 0.000 2.465 383 S HA -0.128 4.342 4.470 -0.000 0.000 0.241 383 S C 2.117 176.735 174.600 0.030 0.000 1.000 383 S CA 1.067 59.281 58.200 0.022 0.000 0.964 383 S CB -0.287 62.918 63.200 0.008 0.000 0.763 383 S HN 0.368 nan 8.310 nan 0.000 0.512 384 A N 2.162 124.995 122.820 0.021 0.000 1.930 384 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 384 A C 2.403 179.997 177.584 0.018 0.000 1.175 384 A CA 1.173 53.225 52.037 0.024 0.000 0.627 384 A CB -0.552 18.459 19.000 0.019 0.000 0.815 384 A HN 0.576 nan 8.150 nan 0.000 0.443 385 R N -0.560 119.950 120.500 0.017 0.000 2.070 385 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 385 R C 2.575 178.868 176.300 -0.012 0.000 1.138 385 R CA 1.345 57.445 56.100 -0.000 0.000 0.936 385 R CB -0.557 29.755 30.300 0.019 0.000 0.839 385 R HN 0.493 nan 8.270 nan 0.000 0.429 386 A N 0.669 123.504 122.820 0.025 0.000 1.917 386 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 386 A C 2.373 180.036 177.584 0.132 0.000 1.182 386 A CA 1.790 53.867 52.037 0.066 0.000 0.633 386 A CB -0.713 18.347 19.000 0.101 0.000 0.819 386 A HN 0.161 nan 8.150 nan 0.000 0.448 387 V N 0.667 120.655 119.914 0.123 0.000 2.407 387 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 387 V C 2.753 178.921 176.094 0.125 0.000 1.055 387 V CA 2.111 64.515 62.300 0.174 0.000 1.049 387 V CB -0.873 31.017 31.823 0.112 0.000 0.662 387 V HN 0.689 nan 8.190 nan 0.000 0.455 388 R N 1.306 121.797 120.500 -0.014 0.000 2.148 388 R HA -0.177 4.163 4.340 -0.000 0.000 0.227 388 R C 2.201 178.308 176.300 -0.321 0.000 1.103 388 R CA 1.915 57.928 56.100 -0.146 0.000 0.983 388 R CB -0.504 29.698 30.300 -0.163 0.000 0.874 388 R HN 0.584 nan 8.270 nan 0.000 0.451 389 K N 0.043 120.247 120.400 -0.326 0.000 2.107 389 K HA -0.214 4.106 4.320 -0.000 0.000 0.211 389 K C 1.468 177.802 176.600 -0.444 0.000 1.049 389 K CA 2.078 58.077 56.287 -0.480 0.000 0.927 389 K CB -0.345 31.715 32.500 -0.734 0.000 0.714 389 K HN 0.252 nan 8.250 nan 0.000 0.452 390 Y N -0.670 119.679 120.300 0.080 0.000 2.616 390 Y HA 0.048 4.598 4.550 -0.000 0.000 0.296 390 Y C -0.122 175.969 175.900 0.318 0.000 1.154 390 Y CA 0.478 58.693 58.100 0.192 0.000 1.325 390 Y CB -0.303 38.222 38.460 0.108 0.000 1.007 390 Y HN 0.004 nan 8.280 nan 0.000 0.542 391 F N -2.565 117.422 119.950 0.062 0.000 3.040 391 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 391 F C -2.297 173.549 175.800 0.078 0.000 0.948 391 F CA -1.193 56.841 58.000 0.057 0.000 1.022 391 F CB -2.238 36.787 39.000 0.042 0.000 1.023 391 F HN 0.011 nan 8.300 nan 0.000 0.742 392 P HA -0.033 nan 4.420 nan 0.000 0.267 392 P C 0.814 178.176 177.300 0.104 0.000 1.195 392 P CA 0.444 63.617 63.100 0.123 0.000 0.773 392 P CB 0.674 32.421 31.700 0.079 0.000 0.837 393 D N 0.403 120.857 120.400 0.089 0.000 2.240 393 D HA 0.034 4.674 4.640 -0.000 0.000 0.206 393 D C 0.805 177.139 176.300 0.057 0.000 0.963 393 D CA 0.646 54.691 54.000 0.074 0.000 0.863 393 D CB -0.188 40.650 40.800 0.063 0.000 0.973 393 D HN 0.351 nan 8.370 nan 0.000 0.501 394 A N 0.714 123.566 122.820 0.052 0.000 2.371 394 A HA 0.389 4.709 4.320 -0.000 0.000 0.257 394 A C 0.443 178.048 177.584 0.035 0.000 1.089 394 A CA -0.234 51.827 52.037 0.040 0.000 0.794 394 A CB 0.308 19.331 19.000 0.039 0.000 1.029 394 A HN -0.025 nan 8.150 nan 0.000 0.488 395 T N 2.484 117.054 114.554 0.026 0.000 2.919 395 T HA 0.329 4.679 4.350 -0.000 0.000 0.302 395 T C 0.285 174.998 174.700 0.022 0.000 1.031 395 T CA 0.443 62.555 62.100 0.020 0.000 1.127 395 T CB 0.042 68.918 68.868 0.013 0.000 0.952 395 T HN 0.382 nan 8.240 nan 0.000 0.540 396 I N 3.182 123.765 120.570 0.021 0.000 2.365 396 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 396 I C -0.242 175.890 176.117 0.025 0.000 1.004 396 I CA -0.708 60.609 61.300 0.029 0.000 1.311 396 I CB 1.098 39.113 38.000 0.025 0.000 1.401 396 I HN 0.336 nan 8.210 nan 0.000 0.491 397 L N 7.730 128.973 121.223 0.032 0.000 2.283 397 L HA 0.612 4.952 4.340 -0.000 0.000 0.281 397 L C -0.059 176.839 176.870 0.045 0.000 1.033 397 L CA -0.118 54.738 54.840 0.027 0.000 0.848 397 L CB 0.786 42.853 42.059 0.015 0.000 1.226 397 L HN 0.645 nan 8.230 nan 0.000 0.429 398 A N 5.335 128.176 122.820 0.035 0.000 2.276 398 A HA 0.696 5.016 4.320 -0.000 0.000 0.316 398 A C -1.050 176.554 177.584 0.034 0.000 1.229 398 A CA -0.518 51.543 52.037 0.041 0.000 0.851 398 A CB 0.456 19.470 19.000 0.023 0.000 1.165 398 A HN 0.561 nan 8.150 nan 0.000 0.513 399 L N 2.113 123.373 121.223 0.062 0.000 2.275 399 L HA 0.720 5.060 4.340 -0.000 0.000 0.288 399 L C 0.653 177.528 176.870 0.009 0.000 1.046 399 L CA 0.519 55.392 54.840 0.054 0.000 0.805 399 L CB 1.335 43.474 42.059 0.134 0.000 1.193 399 L HN 0.796 nan 8.230 nan 0.000 0.426 400 T N -0.242 114.301 114.554 -0.018 0.000 2.853 400 T HA 0.427 4.777 4.350 -0.000 0.000 0.311 400 T C 0.694 175.363 174.700 -0.052 0.000 1.307 400 T CA 0.255 62.328 62.100 -0.044 0.000 1.019 400 T CB 1.424 70.255 68.868 -0.061 0.000 1.264 400 T HN 0.725 nan 8.240 nan 0.000 0.497 401 T N 0.023 114.543 114.554 -0.057 0.000 3.014 401 T HA 0.240 4.590 4.350 -0.000 0.000 0.250 401 T C 0.692 175.349 174.700 -0.070 0.000 1.060 401 T CA -0.048 62.018 62.100 -0.056 0.000 1.040 401 T CB -0.113 68.727 68.868 -0.046 0.000 0.971 401 T HN 0.444 nan 8.240 nan 0.000 0.497 402 N N 2.187 120.838 118.700 -0.080 0.000 2.402 402 N HA 0.114 4.854 4.740 -0.000 0.000 0.252 402 N C 0.569 175.997 175.510 -0.136 0.000 1.118 402 N CA 0.039 53.033 53.050 -0.093 0.000 0.945 402 N CB 1.097 39.533 38.487 -0.085 0.000 1.147 402 N HN 0.422 nan 8.380 nan 0.000 0.495 403 E N 2.143 122.251 120.200 -0.153 0.000 2.274 403 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 403 E C 1.012 177.429 176.600 -0.304 0.000 0.996 403 E CA 0.666 56.904 56.400 -0.270 0.000 0.840 403 E CB 0.347 29.923 29.700 -0.207 0.000 0.772 403 E HN 0.458 nan 8.360 nan 0.000 0.491 404 K N 0.629 120.937 120.400 -0.154 0.000 1.984 404 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 404 K C 2.043 178.532 176.600 -0.185 0.000 1.046 404 K CA 1.819 58.037 56.287 -0.116 0.000 0.934 404 K CB -0.673 31.756 32.500 -0.118 0.000 0.717 404 K HN -0.066 nan 8.250 nan 0.000 0.438 405 T N 0.607 115.051 114.554 -0.183 0.000 2.653 405 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 405 T C 1.793 176.398 174.700 -0.157 0.000 1.035 405 T CA 1.842 63.840 62.100 -0.170 0.000 1.154 405 T CB -0.647 68.150 68.868 -0.119 0.000 0.862 405 T HN 0.417 nan 8.240 nan 0.000 0.441 406 A N 0.437 123.138 122.820 -0.197 0.000 2.070 406 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 406 A C 1.858 179.340 177.584 -0.169 0.000 1.159 406 A CA 1.652 53.573 52.037 -0.192 0.000 0.656 406 A CB -0.703 18.151 19.000 -0.244 0.000 0.800 406 A HN 0.717 nan 8.150 nan 0.000 0.453 407 H N -1.098 117.920 119.070 -0.086 0.000 2.343 407 H HA -0.034 4.522 4.556 -0.000 0.000 0.303 407 H C 2.330 177.623 175.328 -0.059 0.000 1.068 407 H CA 1.304 57.310 56.048 -0.070 0.000 1.359 407 H CB -0.044 29.663 29.762 -0.092 0.000 1.402 407 H HN 0.552 nan 8.280 nan 0.000 0.515 408 Q N 0.739 120.502 119.800 -0.062 0.000 2.096 408 Q HA -0.189 4.151 4.340 -0.000 0.000 0.208 408 Q C 2.158 178.244 176.000 0.142 0.000 0.993 408 Q CA 1.528 57.255 55.803 -0.127 0.000 0.862 408 Q CB -0.208 28.227 28.738 -0.505 0.000 0.915 408 Q HN 0.483 nan 8.270 nan 0.000 0.416 409 L N 0.256 121.510 121.223 0.052 0.000 2.349 409 L HA -0.175 4.165 4.340 -0.000 0.000 0.220 409 L C 2.161 179.086 176.870 0.093 0.000 1.130 409 L CA 0.382 55.267 54.840 0.075 0.000 0.791 409 L CB -0.500 41.574 42.059 0.025 0.000 0.918 409 L HN 0.130 nan 8.230 nan 0.000 0.444 410 V N -0.166 119.817 119.914 0.116 0.000 2.490 410 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 410 V C 2.297 178.449 176.094 0.096 0.000 1.061 410 V CA 1.288 63.649 62.300 0.101 0.000 1.064 410 V CB -0.395 31.502 31.823 0.122 0.000 0.670 410 V HN 0.358 nan 8.190 nan 0.000 0.461 411 L N 0.126 121.439 121.223 0.149 0.000 2.275 411 L HA 0.071 4.411 4.340 -0.000 0.000 0.215 411 L C 1.373 178.253 176.870 0.017 0.000 1.119 411 L CA 0.934 55.809 54.840 0.058 0.000 0.790 411 L CB -0.672 41.359 42.059 -0.046 0.000 0.919 411 L HN 0.276 nan 8.230 nan 0.000 0.443 412 S N 0.527 116.254 115.700 0.045 0.000 2.565 412 S HA 0.114 4.584 4.470 -0.000 0.000 0.276 412 S C 0.165 174.755 174.600 -0.017 0.000 1.326 412 S CA -0.430 57.777 58.200 0.011 0.000 1.045 412 S CB 0.793 64.008 63.200 0.025 0.000 0.918 412 S HN 0.245 nan 8.310 nan 0.000 0.505 413 K N 1.172 121.538 120.400 -0.056 0.000 2.380 413 K HA 0.204 4.524 4.320 -0.000 0.000 0.267 413 K C 1.402 177.968 176.600 -0.055 0.000 0.990 413 K CA 0.679 56.927 56.287 -0.065 0.000 0.946 413 K CB -0.133 32.303 32.500 -0.108 0.000 0.937 413 K HN 0.838 nan 8.250 nan 0.000 0.491 414 G N 1.398 110.181 108.800 -0.029 0.000 2.302 414 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 414 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 414 G C 0.164 175.060 174.900 -0.006 0.000 1.005 414 G CA 0.877 45.969 45.100 -0.013 0.000 0.708 414 G HN 0.400 nan 8.290 nan 0.000 0.527 415 V N -0.318 119.593 119.914 -0.005 0.000 2.732 415 V HA 0.482 4.602 4.120 -0.000 0.000 0.297 415 V C 0.599 176.701 176.094 0.014 0.000 1.060 415 V CA -0.476 61.828 62.300 0.006 0.000 1.038 415 V CB 1.978 33.807 31.823 0.009 0.000 1.003 415 V HN 0.086 nan 8.190 nan 0.000 0.481 416 V N 6.569 126.492 119.914 0.015 0.000 2.340 416 V HA 0.320 4.440 4.120 -0.000 0.000 0.277 416 V C -2.082 174.020 176.094 0.013 0.000 1.017 416 V CA -1.374 60.935 62.300 0.015 0.000 0.820 416 V CB 1.597 33.426 31.823 0.011 0.000 1.028 416 V HN 0.783 nan 8.190 nan 0.000 0.436 417 P HA 0.331 nan 4.420 nan 0.000 0.274 417 P C -0.969 176.326 177.300 -0.008 0.000 1.256 417 P CA -0.338 62.761 63.100 -0.001 0.000 0.795 417 P CB 1.093 32.786 31.700 -0.011 0.000 1.038 418 Q N 0.001 119.790 119.800 -0.018 0.000 2.313 418 Q HA 0.341 4.681 4.340 -0.000 0.000 0.260 418 Q C -1.245 174.735 176.000 -0.034 0.000 0.972 418 Q CA -0.915 54.876 55.803 -0.020 0.000 0.886 418 Q CB 2.145 30.878 28.738 -0.008 0.000 1.373 418 Q HN 0.269 nan 8.270 nan 0.000 0.416 419 L N 3.309 124.503 121.223 -0.048 0.000 2.395 419 L HA 0.636 4.976 4.340 -0.000 0.000 0.269 419 L C -0.734 176.116 176.870 -0.034 0.000 1.133 419 L CA -0.043 54.761 54.840 -0.060 0.000 0.812 419 L CB 1.506 43.519 42.059 -0.077 0.000 1.125 419 L HN 0.508 nan 8.230 nan 0.000 0.452 420 V N 0.659 120.555 119.914 -0.030 0.000 3.120 420 V HA 0.455 4.575 4.120 -0.000 0.000 0.303 420 V C 0.597 176.680 176.094 -0.019 0.000 1.238 420 V CA -0.672 61.618 62.300 -0.016 0.000 1.008 420 V CB 1.522 33.346 31.823 0.001 0.000 1.064 420 V HN 0.536 nan 8.190 nan 0.000 0.434 421 K N 0.693 121.085 120.400 -0.014 0.000 2.057 421 K HA 0.101 4.421 4.320 -0.000 0.000 0.207 421 K C 0.577 177.167 176.600 -0.016 0.000 1.049 421 K CA 2.126 58.404 56.287 -0.015 0.000 0.931 421 K CB -0.375 32.118 32.500 -0.012 0.000 0.714 421 K HN 1.134 nan 8.250 nan 0.000 0.440 422 E N -2.585 117.609 120.200 -0.010 0.000 2.393 422 E HA 0.423 4.773 4.350 -0.000 0.000 0.278 422 E C -2.072 174.529 176.600 0.000 0.000 1.171 422 E CA -0.468 55.925 56.400 -0.012 0.000 0.904 422 E CB 0.673 30.364 29.700 -0.014 0.000 1.309 422 E HN 0.095 nan 8.360 nan 0.000 0.423 423 I N 2.327 122.894 120.570 -0.005 0.000 2.563 423 I HA 0.234 4.404 4.170 -0.000 0.000 0.285 423 I C 0.974 177.082 176.117 -0.015 0.000 1.123 423 I CA -0.274 61.031 61.300 0.009 0.000 1.059 423 I CB 2.044 40.056 38.000 0.019 0.000 1.229 423 I HN 0.760 nan 8.210 nan 0.000 0.442 424 T N 0.795 115.344 114.554 -0.008 0.000 2.985 424 T HA 0.086 4.436 4.350 -0.000 0.000 0.266 424 T C 0.675 175.362 174.700 -0.022 0.000 1.076 424 T CA 0.968 63.059 62.100 -0.014 0.000 1.135 424 T CB 0.085 68.948 68.868 -0.007 0.000 0.890 424 T HN 0.683 nan 8.240 nan 0.000 0.480 425 S N -1.620 114.066 115.700 -0.023 0.000 2.615 425 S HA 0.364 4.834 4.470 -0.000 0.000 0.268 425 S C 0.611 175.176 174.600 -0.058 0.000 1.146 425 S CA -0.174 58.004 58.200 -0.036 0.000 0.818 425 S CB 0.907 64.099 63.200 -0.014 0.000 1.111 425 S HN -0.023 nan 8.310 nan 0.000 0.465 426 T N 1.411 115.911 114.554 -0.091 0.000 2.737 426 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 426 T C 1.006 175.532 174.700 -0.289 0.000 1.040 426 T CA 2.071 64.052 62.100 -0.200 0.000 1.142 426 T CB -0.686 68.111 68.868 -0.120 0.000 0.861 426 T HN 0.643 nan 8.240 nan 0.000 0.456 427 D N 0.548 120.914 120.400 -0.058 0.000 2.149 427 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 427 D C 2.026 178.344 176.300 0.030 0.000 0.972 427 D CA 0.921 54.961 54.000 0.066 0.000 0.835 427 D CB -0.377 40.492 40.800 0.114 0.000 0.966 427 D HN 0.330 nan 8.370 nan 0.000 0.476 428 D N -0.143 120.260 120.400 0.005 0.000 2.117 428 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 428 D C 1.924 178.226 176.300 0.003 0.000 0.982 428 D CA 0.456 54.462 54.000 0.011 0.000 0.828 428 D CB -0.288 40.520 40.800 0.013 0.000 0.967 428 D HN 0.072 nan 8.370 nan 0.000 0.464 429 F N 0.502 120.341 119.950 -0.186 0.000 2.065 429 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 429 F C 1.769 177.471 175.800 -0.163 0.000 1.112 429 F CA 1.563 59.434 58.000 -0.215 0.000 1.212 429 F CB -0.972 37.823 39.000 -0.341 0.000 0.975 429 F HN -0.009 nan 8.300 nan 0.000 0.476 430 Y N 0.828 120.964 120.300 -0.274 0.000 2.165 430 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 430 Y C 2.829 178.486 175.900 -0.405 0.000 1.155 430 Y CA 1.671 59.469 58.100 -0.504 0.000 1.164 430 Y CB -1.299 36.988 38.460 -0.289 0.000 0.978 430 Y HN 0.101 nan 8.280 nan 0.000 0.513 431 R N 0.995 121.460 120.500 -0.059 0.000 2.081 431 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 431 R C 2.142 178.380 176.300 -0.103 0.000 1.131 431 R CA 1.486 57.549 56.100 -0.060 0.000 0.960 431 R CB -1.049 29.247 30.300 -0.005 0.000 0.856 431 R HN 0.426 nan 8.270 nan 0.000 0.436 432 L N 1.039 122.195 121.223 -0.111 0.000 1.994 432 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 432 L C 2.405 179.184 176.870 -0.152 0.000 1.071 432 L CA 2.522 57.304 54.840 -0.098 0.000 0.745 432 L CB -1.391 40.641 42.059 -0.046 0.000 0.892 432 L HN 0.310 nan 8.230 nan 0.000 0.431 433 G N -0.578 108.047 108.800 -0.292 0.000 2.469 433 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 433 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 433 G C 1.646 176.410 174.900 -0.227 0.000 1.136 433 G CA 1.072 45.981 45.100 -0.319 0.000 0.759 433 G HN 0.485 nan 8.290 nan 0.000 0.562 434 K N 0.326 120.585 120.400 -0.235 0.000 2.097 434 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 434 K C 2.410 178.948 176.600 -0.103 0.000 1.049 434 K CA 1.277 57.465 56.287 -0.166 0.000 0.933 434 K CB -0.111 32.292 32.500 -0.162 0.000 0.717 434 K HN 0.432 nan 8.250 nan 0.000 0.442 435 E N 1.037 121.184 120.200 -0.088 0.000 2.028 435 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 435 E C 2.138 178.704 176.600 -0.057 0.000 0.988 435 E CA 0.852 57.217 56.400 -0.058 0.000 0.799 435 E CB -0.132 29.541 29.700 -0.046 0.000 0.755 435 E HN 0.176 nan 8.360 nan 0.000 0.447 436 L N 0.963 122.148 121.223 -0.064 0.000 1.990 436 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 436 L C 2.707 179.540 176.870 -0.060 0.000 1.072 436 L CA 1.267 56.075 54.840 -0.053 0.000 0.755 436 L CB -0.730 41.301 42.059 -0.046 0.000 0.889 436 L HN 0.163 nan 8.230 nan 0.000 0.432 437 A N 0.160 122.933 122.820 -0.077 0.000 1.892 437 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 437 A C 2.268 179.794 177.584 -0.097 0.000 1.188 437 A CA 1.871 53.858 52.037 -0.082 0.000 0.631 437 A CB -0.863 18.084 19.000 -0.088 0.000 0.822 437 A HN 0.401 nan 8.150 nan 0.000 0.447 438 L N -1.094 120.077 121.223 -0.087 0.000 2.141 438 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 438 L C 2.861 179.687 176.870 -0.072 0.000 1.094 438 L CA 1.357 56.144 54.840 -0.089 0.000 0.763 438 L CB -0.494 41.537 42.059 -0.046 0.000 0.908 438 L HN 0.518 nan 8.230 nan 0.000 0.437 439 Q N -0.719 119.050 119.800 -0.051 0.000 2.167 439 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 439 Q C 2.282 178.261 176.000 -0.035 0.000 0.970 439 Q CA 1.482 57.266 55.803 -0.032 0.000 0.855 439 Q CB -0.047 28.677 28.738 -0.023 0.000 0.911 439 Q HN 0.401 nan 8.270 nan 0.000 0.438 440 S N -0.369 115.301 115.700 -0.050 0.000 2.469 440 S HA -0.068 4.402 4.470 -0.000 0.000 0.238 440 S C 1.537 176.103 174.600 -0.056 0.000 0.998 440 S CA 0.813 58.985 58.200 -0.046 0.000 0.957 440 S CB -0.249 62.918 63.200 -0.055 0.000 0.764 440 S HN 0.710 nan 8.310 nan 0.000 0.514 441 G N 1.038 109.782 108.800 -0.093 0.000 2.220 441 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.269 441 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.269 441 G C 0.711 175.505 174.900 -0.176 0.000 0.977 441 G CA 0.661 45.701 45.100 -0.100 0.000 0.634 441 G HN 0.533 nan 8.290 nan 0.000 0.539 442 L N -0.039 121.093 121.223 -0.151 0.000 2.465 442 L HA 0.473 4.813 4.340 -0.000 0.000 0.224 442 L C 1.532 178.282 176.870 -0.199 0.000 1.145 442 L CA 1.017 55.786 54.840 -0.119 0.000 0.834 442 L CB -0.368 41.652 42.059 -0.065 0.000 0.944 442 L HN 0.685 nan 8.230 nan 0.000 0.451 443 A N -1.922 120.659 122.820 -0.399 0.000 2.588 443 A HA 0.760 5.080 4.320 -0.000 0.000 0.290 443 A C -1.129 176.005 177.584 -0.751 0.000 1.136 443 A CA -0.604 51.189 52.037 -0.407 0.000 0.681 443 A CB 1.414 20.313 19.000 -0.168 0.000 1.282 443 A HN 0.092 nan 8.150 nan 0.000 0.421 444 H N 0.084 119.155 119.070 0.001 0.000 2.966 444 H HA 0.329 4.885 4.556 -0.000 0.000 0.330 444 H C -0.864 174.463 175.328 -0.000 0.000 1.292 444 H CA -0.926 55.122 56.048 -0.000 0.000 1.127 444 H CB 0.886 30.649 29.762 0.001 0.000 1.863 444 H HN 0.547 nan 8.280 nan 0.000 0.543 445 K N 0.995 121.485 120.400 0.151 0.000 2.491 445 K HA 0.069 4.389 4.320 -0.000 0.000 0.279 445 K C 1.131 177.770 176.600 0.066 0.000 1.026 445 K CA 1.164 57.497 56.287 0.075 0.000 1.070 445 K CB 0.018 32.551 32.500 0.055 0.000 0.887 445 K HN 1.013 nan 8.250 nan 0.000 0.481 446 G N 2.866 111.692 108.800 0.043 0.000 2.234 446 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.235 446 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.235 446 G C -0.127 174.794 174.900 0.036 0.000 0.997 446 G CA -0.141 44.979 45.100 0.034 0.000 0.623 446 G HN 0.591 nan 8.290 nan 0.000 0.514 447 D N 0.794 121.222 120.400 0.047 0.000 2.345 447 D HA 0.480 5.120 4.640 -0.000 0.000 0.247 447 D C 0.834 177.149 176.300 0.024 0.000 1.108 447 D CA -0.043 53.979 54.000 0.038 0.000 0.894 447 D CB 1.851 42.674 40.800 0.038 0.000 1.203 447 D HN 0.162 nan 8.370 nan 0.000 0.430 448 V N 2.064 121.991 119.914 0.021 0.000 2.904 448 V HA 0.421 4.541 4.120 -0.000 0.000 0.305 448 V C 0.377 176.484 176.094 0.022 0.000 1.067 448 V CA -0.393 61.918 62.300 0.020 0.000 1.044 448 V CB 1.854 33.684 31.823 0.012 0.000 1.050 448 V HN 0.268 nan 8.190 nan 0.000 0.475 449 V N 3.234 123.166 119.914 0.031 0.000 2.817 449 V HA 0.369 4.489 4.120 -0.000 0.000 0.303 449 V C -0.736 175.392 176.094 0.057 0.000 1.151 449 V CA -0.585 61.732 62.300 0.029 0.000 0.929 449 V CB 2.288 34.112 31.823 0.002 0.000 1.030 449 V HN 0.578 nan 8.190 nan 0.000 0.427 450 V N 5.362 125.310 119.914 0.057 0.000 2.394 450 V HA 0.580 4.700 4.120 -0.000 0.000 0.282 450 V C -0.051 176.111 176.094 0.114 0.000 1.031 450 V CA -0.401 61.948 62.300 0.081 0.000 0.881 450 V CB 1.543 33.404 31.823 0.064 0.000 0.982 450 V HN 0.824 nan 8.190 nan 0.000 0.451 451 M N 4.901 124.606 119.600 0.176 0.000 2.243 451 M HA 0.642 5.122 4.480 -0.000 0.000 0.324 451 M C -1.008 175.525 176.300 0.389 0.000 1.031 451 M CA -0.609 54.864 55.300 0.287 0.000 0.949 451 M CB 2.053 34.839 32.600 0.309 0.000 1.615 451 M HN 0.371 nan 8.290 nan 0.000 0.430 452 V N 1.703 121.828 119.914 0.351 0.000 2.994 452 V HA 0.889 5.009 4.120 -0.000 0.000 0.318 452 V C 0.026 176.200 176.094 0.133 0.000 1.085 452 V CA -0.283 62.161 62.300 0.239 0.000 0.998 452 V CB 2.146 34.053 31.823 0.139 0.000 1.063 452 V HN 1.123 nan 8.190 nan 0.000 0.447 453 S N 0.383 116.080 115.700 -0.004 0.000 2.655 453 S HA 0.602 5.072 4.470 -0.000 0.000 0.263 453 S C -0.460 174.063 174.600 -0.128 0.000 1.091 453 S CA -0.261 57.804 58.200 -0.224 0.000 0.865 453 S CB 0.866 63.713 63.200 -0.588 0.000 1.146 453 S HN 1.346 nan 8.310 nan 0.000 0.482 454 G N -0.409 108.284 108.800 -0.177 0.000 2.462 454 G HA2 0.834 4.794 3.960 -0.000 0.000 0.319 454 G HA3 0.834 4.794 3.960 -0.000 0.000 0.319 454 G C -0.438 174.401 174.900 -0.100 0.000 1.171 454 G CA -0.584 44.452 45.100 -0.106 0.000 0.920 454 G HN 1.754 nan 8.290 nan 0.000 0.499 455 A N 0.265 123.051 122.820 -0.056 0.000 2.513 455 A HA 0.526 4.846 4.320 -0.000 0.000 0.285 455 A C -0.179 177.390 177.584 -0.025 0.000 1.047 455 A CA -0.541 51.471 52.037 -0.040 0.000 0.864 455 A CB 0.500 19.494 19.000 -0.009 0.000 1.373 455 A HN 1.512 nan 8.150 nan 0.000 0.403 456 L N 0.107 121.313 121.223 -0.029 0.000 3.843 456 L HA -0.201 4.139 4.340 -0.000 0.000 0.411 456 L C 0.182 177.040 176.870 -0.020 0.000 1.205 456 L CA 1.685 56.513 54.840 -0.020 0.000 0.945 456 L CB -2.477 39.576 42.059 -0.010 0.000 1.929 456 L HN 1.708 nan 8.230 nan 0.000 0.934 457 V N -3.940 115.958 119.914 -0.028 0.000 2.808 457 V HA 0.932 5.052 4.120 -0.000 0.000 0.308 457 V C -1.856 174.220 176.094 -0.031 0.000 1.099 457 V CA -1.785 60.500 62.300 -0.025 0.000 0.920 457 V CB 1.702 33.513 31.823 -0.020 0.000 1.014 457 V HN 0.056 nan 8.190 nan 0.000 0.425 458 P HA 0.196 nan 4.420 nan 0.000 0.271 458 P C 0.388 177.669 177.300 -0.031 0.000 1.228 458 P CA 0.163 63.247 63.100 -0.027 0.000 0.797 458 P CB 0.214 31.902 31.700 -0.021 0.000 0.914 459 S N -0.674 115.007 115.700 -0.032 0.000 2.596 459 S HA 0.380 4.850 4.470 -0.000 0.000 0.260 459 S C 1.486 176.072 174.600 -0.023 0.000 1.336 459 S CA 0.705 58.885 58.200 -0.033 0.000 0.993 459 S CB -0.065 63.115 63.200 -0.034 0.000 0.923 459 S HN 0.952 nan 8.310 nan 0.000 0.567 460 G N 0.331 109.119 108.800 -0.020 0.000 2.225 460 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.254 460 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.254 460 G C 0.101 174.995 174.900 -0.009 0.000 0.988 460 G CA 0.284 45.378 45.100 -0.011 0.000 0.625 460 G HN 0.778 nan 8.290 nan 0.000 0.527 461 T N 1.977 116.521 114.554 -0.016 0.000 2.772 461 T HA 0.602 4.952 4.350 -0.000 0.000 0.288 461 T C 0.023 174.713 174.700 -0.017 0.000 0.994 461 T CA 0.129 62.222 62.100 -0.012 0.000 0.951 461 T CB 1.883 70.744 68.868 -0.012 0.000 0.933 461 T HN 0.199 nan 8.240 nan 0.000 0.447 462 T N 3.694 118.245 114.554 -0.004 0.000 2.907 462 T HA 0.487 4.837 4.350 -0.000 0.000 0.284 462 T C 0.907 175.611 174.700 0.006 0.000 1.004 462 T CA -0.691 61.406 62.100 -0.004 0.000 1.063 462 T CB 0.610 69.486 68.868 0.014 0.000 0.992 462 T HN 0.808 nan 8.240 nan 0.000 0.483 463 N N -0.674 118.032 118.700 0.010 0.000 1.890 463 N HA -0.002 4.738 4.740 -0.000 0.000 0.221 463 N C -0.771 174.760 175.510 0.036 0.000 1.445 463 N CA -0.330 52.731 53.050 0.019 0.000 0.703 463 N CB 0.265 38.759 38.487 0.011 0.000 1.071 463 N HN 0.438 nan 8.380 nan 0.000 0.582 464 T N 0.651 115.237 114.554 0.052 0.000 2.906 464 T HA 0.925 5.275 4.350 -0.000 0.000 0.295 464 T C -1.201 173.583 174.700 0.141 0.000 1.061 464 T CA -0.206 61.953 62.100 0.099 0.000 1.000 464 T CB 2.093 71.028 68.868 0.111 0.000 1.103 464 T HN 0.477 nan 8.240 nan 0.000 0.486 465 A N 1.272 124.188 122.820 0.160 0.000 2.572 465 A HA 0.910 5.230 4.320 -0.000 0.000 0.295 465 A C -0.843 176.826 177.584 0.140 0.000 1.072 465 A CA -0.813 51.318 52.037 0.157 0.000 0.691 465 A CB 1.913 20.963 19.000 0.083 0.000 1.291 465 A HN 0.910 nan 8.150 nan 0.000 0.404 466 S N 0.673 116.441 115.700 0.114 0.000 2.582 466 S HA 0.507 4.977 4.470 -0.000 0.000 0.287 466 S C -1.240 173.337 174.600 -0.038 0.000 1.146 466 S CA -0.400 57.771 58.200 -0.049 0.000 0.941 466 S CB 0.881 63.929 63.200 -0.254 0.000 1.115 466 S HN 1.349 nan 8.310 nan 0.000 0.458 467 V N 6.384 126.205 119.914 -0.154 0.000 2.607 467 V HA 0.574 4.694 4.120 -0.000 0.000 0.289 467 V C 0.015 175.953 176.094 -0.261 0.000 1.053 467 V CA -0.106 62.128 62.300 -0.109 0.000 0.996 467 V CB 1.020 32.783 31.823 -0.099 0.000 0.995 467 V HN 0.894 nan 8.190 nan 0.000 0.476 468 H N 1.719 120.725 119.070 -0.106 0.000 2.996 468 H HA 0.473 5.029 4.556 -0.000 0.000 0.368 468 H C -1.355 173.934 175.328 -0.066 0.000 1.185 468 H CA -0.642 55.343 56.048 -0.105 0.000 1.160 468 H CB 2.446 32.128 29.762 -0.133 0.000 1.820 468 H HN 0.395 nan 8.280 nan 0.000 0.547 469 V N 4.139 124.094 119.914 0.068 0.000 2.394 469 V HA 0.196 4.316 4.120 -0.000 0.000 0.282 469 V C 0.657 176.773 176.094 0.036 0.000 1.031 469 V CA -0.487 61.834 62.300 0.035 0.000 0.881 469 V CB 1.118 32.948 31.823 0.011 0.000 0.982 469 V HN 0.419 nan 8.190 nan 0.000 0.451 470 L N 0.000 121.237 121.223 0.023 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 470 L CA 0.000 54.847 54.840 0.011 0.000 0.813 470 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502