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 1e0u_1_D 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 LKVVITATMM LDSMIKNPRP TRAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGESAKGKY 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 0.000 176.322 176.300 0.037 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2 K N 3.649 124.070 120.400 0.035 0.000 2.440 2 K HA 0.220 4.540 4.320 -0.000 0.000 0.270 2 K C -0.468 176.157 176.600 0.042 0.000 0.980 2 K CA -0.210 56.100 56.287 0.038 0.000 0.953 2 K CB 1.010 33.531 32.500 0.035 0.000 0.925 2 K HN 0.881 nan 8.250 nan 0.000 0.497 3 K N 0.745 121.175 120.400 0.049 0.000 2.287 3 K HA 0.036 4.356 4.320 -0.000 0.000 0.199 3 K C -0.001 176.628 176.600 0.047 0.000 1.061 3 K CA 0.258 56.575 56.287 0.050 0.000 0.976 3 K CB 0.368 32.906 32.500 0.063 0.000 0.898 3 K HN 0.625 nan 8.250 nan 0.000 0.492 4 T N 3.316 117.902 114.554 0.052 0.000 2.908 4 T HA 0.018 4.368 4.350 -0.000 0.000 0.301 4 T C 0.112 174.833 174.700 0.035 0.000 1.019 4 T CA 0.372 62.501 62.100 0.048 0.000 1.152 4 T CB 0.453 69.352 68.868 0.051 0.000 0.966 4 T HN -0.076 nan 8.240 nan 0.000 0.540 5 K N 2.842 123.259 120.400 0.028 0.000 2.118 5 K HA 0.491 4.811 4.320 -0.000 0.000 0.264 5 K C -0.080 176.530 176.600 0.016 0.000 1.000 5 K CA -0.483 55.818 56.287 0.023 0.000 0.929 5 K CB 1.198 33.710 32.500 0.020 0.000 1.021 5 K HN 0.506 nan 8.250 nan 0.000 0.463 6 I N 1.570 122.151 120.570 0.018 0.000 2.418 6 I HA 0.175 4.345 4.170 -0.000 0.000 0.287 6 I C -0.682 175.444 176.117 0.015 0.000 1.008 6 I CA -1.026 60.285 61.300 0.017 0.000 1.104 6 I CB 1.952 39.965 38.000 0.022 0.000 1.264 6 I HN 0.035 nan 8.210 nan 0.000 0.438 7 V N 5.681 125.600 119.914 0.009 0.000 2.370 7 V HA 0.305 4.425 4.120 -0.000 0.000 0.283 7 V C -0.392 175.715 176.094 0.022 0.000 1.023 7 V CA -0.471 61.835 62.300 0.009 0.000 0.857 7 V CB 1.333 33.150 31.823 -0.009 0.000 0.985 7 V HN 0.773 nan 8.190 nan 0.000 0.443 8 C N 3.821 123.140 119.300 0.031 0.000 2.298 8 C HA 0.505 4.965 4.460 -0.000 0.000 0.323 8 C C 0.917 175.935 174.990 0.047 0.000 1.284 8 C CA -0.567 58.473 59.018 0.036 0.000 1.577 8 C CB 0.877 28.639 27.740 0.036 0.000 2.249 8 C HN 0.893 nan 8.230 nan 0.000 0.497 9 T N 5.279 119.863 114.554 0.049 0.000 2.870 9 T HA 0.280 4.630 4.350 -0.000 0.000 0.300 9 T C 0.146 174.880 174.700 0.056 0.000 0.989 9 T CA -0.024 62.113 62.100 0.062 0.000 1.139 9 T CB 0.125 69.032 68.868 0.064 0.000 0.920 9 T HN 0.350 nan 8.240 nan 0.000 0.537 10 I N 3.554 124.165 120.570 0.069 0.000 2.321 10 I HA 0.479 4.649 4.170 -0.000 0.000 0.291 10 I C 0.913 177.056 176.117 0.042 0.000 0.998 10 I CA -0.379 60.953 61.300 0.055 0.000 1.227 10 I CB 0.613 38.651 38.000 0.063 0.000 1.368 10 I HN 0.755 nan 8.210 nan 0.000 0.466 11 G N 6.940 115.746 108.800 0.011 0.000 3.075 11 G HA2 0.580 4.540 3.960 -0.000 0.000 0.253 11 G HA3 0.580 4.540 3.960 -0.000 0.000 0.253 11 G C -2.305 172.572 174.900 -0.038 0.000 1.353 11 G CA -0.952 44.135 45.100 -0.022 0.000 1.051 11 G HN 0.336 nan 8.290 nan 0.000 0.553 12 P HA 0.042 nan 4.420 nan 0.000 0.223 12 P C 1.446 178.715 177.300 -0.051 0.000 1.151 12 P CA 1.037 64.098 63.100 -0.065 0.000 0.787 12 P CB 0.318 31.967 31.700 -0.084 0.000 0.788 13 K N -0.343 120.028 120.400 -0.049 0.000 2.305 13 K HA 0.003 4.323 4.320 -0.000 0.000 0.199 13 K C 1.108 177.688 176.600 -0.033 0.000 1.047 13 K CA 1.313 57.572 56.287 -0.047 0.000 0.976 13 K CB -0.070 32.395 32.500 -0.058 0.000 0.765 13 K HN 0.137 nan 8.250 nan 0.000 0.474 14 T N -2.318 112.223 114.554 -0.022 0.000 3.044 14 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 14 T C 1.153 175.853 174.700 -0.001 0.000 1.019 14 T CA -0.121 61.974 62.100 -0.008 0.000 0.921 14 T CB 0.264 69.133 68.868 0.001 0.000 1.053 14 T HN 0.383 nan 8.240 nan 0.000 0.533 15 E N 2.296 122.492 120.200 -0.007 0.000 2.418 15 E HA -0.013 4.337 4.350 -0.000 0.000 0.197 15 E C 1.108 177.710 176.600 0.003 0.000 1.026 15 E CA 0.288 56.688 56.400 0.001 0.000 0.862 15 E CB -0.169 29.526 29.700 -0.008 0.000 0.799 15 E HN 0.536 nan 8.360 nan 0.000 0.518 16 S N 0.323 116.022 115.700 -0.002 0.000 2.579 16 S HA -0.011 4.459 4.470 -0.000 0.000 0.275 16 S C 0.869 175.473 174.600 0.007 0.000 1.345 16 S CA -0.310 57.891 58.200 0.001 0.000 1.031 16 S CB 1.372 64.570 63.200 -0.004 0.000 0.892 16 S HN 0.284 nan 8.310 nan 0.000 0.529 17 E N 1.585 121.790 120.200 0.008 0.000 2.077 17 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 17 E C 1.858 178.464 176.600 0.010 0.000 0.989 17 E CA 1.669 58.076 56.400 0.011 0.000 0.800 17 E CB -0.227 29.479 29.700 0.011 0.000 0.746 17 E HN 0.804 nan 8.360 nan 0.000 0.452 18 E N 0.612 120.817 120.200 0.008 0.000 2.049 18 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 18 E C 1.872 178.477 176.600 0.009 0.000 1.007 18 E CA 1.439 57.843 56.400 0.007 0.000 0.809 18 E CB -0.151 29.551 29.700 0.004 0.000 0.749 18 E HN 0.100 nan 8.360 nan 0.000 0.450 19 M N -0.039 119.565 119.600 0.007 0.000 2.059 19 M HA -0.062 4.418 4.480 -0.000 0.000 0.259 19 M C 1.920 178.227 176.300 0.013 0.000 1.072 19 M CA 1.460 56.765 55.300 0.008 0.000 1.117 19 M CB -0.384 32.218 32.600 0.003 0.000 1.320 19 M HN 0.094 nan 8.290 nan 0.000 0.408 20 L N -0.612 120.619 121.223 0.014 0.000 2.051 20 L HA -0.275 4.065 4.340 -0.000 0.000 0.214 20 L C 2.444 179.325 176.870 0.018 0.000 1.076 20 L CA 1.484 56.335 54.840 0.018 0.000 0.758 20 L CB -1.193 40.877 42.059 0.019 0.000 0.890 20 L HN 0.425 nan 8.230 nan 0.000 0.433 21 A N -0.308 122.521 122.820 0.016 0.000 1.930 21 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 21 A C 2.336 179.930 177.584 0.018 0.000 1.175 21 A CA 1.677 53.724 52.037 0.017 0.000 0.627 21 A CB -0.322 18.687 19.000 0.015 0.000 0.815 21 A HN 0.313 nan 8.150 nan 0.000 0.443 22 K N -0.829 119.581 120.400 0.017 0.000 2.097 22 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 22 K C 2.070 178.682 176.600 0.021 0.000 1.050 22 K CA 1.498 57.796 56.287 0.018 0.000 0.938 22 K CB -0.196 32.315 32.500 0.017 0.000 0.718 22 K HN 0.508 nan 8.250 nan 0.000 0.442 23 M N 0.376 119.989 119.600 0.022 0.000 2.236 23 M HA -0.089 4.391 4.480 -0.000 0.000 0.266 23 M C 2.109 178.424 176.300 0.025 0.000 1.070 23 M CA 1.306 56.621 55.300 0.024 0.000 1.137 23 M CB -0.500 32.115 32.600 0.025 0.000 1.378 23 M HN 0.117 nan 8.290 nan 0.000 0.426 24 L N 0.439 121.677 121.223 0.024 0.000 2.013 24 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 24 L C 2.202 179.087 176.870 0.025 0.000 1.073 24 L CA 1.257 56.112 54.840 0.025 0.000 0.753 24 L CB -0.865 41.209 42.059 0.024 0.000 0.890 24 L HN 0.291 nan 8.230 nan 0.000 0.432 25 D N 0.152 120.566 120.400 0.024 0.000 2.104 25 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 25 D C 2.139 178.453 176.300 0.024 0.000 0.994 25 D CA 1.625 55.639 54.000 0.023 0.000 0.830 25 D CB -0.010 40.802 40.800 0.021 0.000 0.959 25 D HN 0.328 nan 8.370 nan 0.000 0.452 26 A N -0.710 122.125 122.820 0.024 0.000 2.172 26 A HA 0.267 4.587 4.320 -0.000 0.000 0.216 26 A C 1.769 179.368 177.584 0.025 0.000 1.154 26 A CA 1.747 53.799 52.037 0.025 0.000 0.701 26 A CB -0.029 18.987 19.000 0.026 0.000 0.789 26 A HN 0.350 nan 8.150 nan 0.000 0.465 27 G N -2.353 106.462 108.800 0.026 0.000 2.273 27 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.162 27 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.162 27 G C 0.225 175.142 174.900 0.028 0.000 1.006 27 G CA -0.010 45.106 45.100 0.027 0.000 0.704 27 G HN 0.483 nan 8.290 nan 0.000 0.487 28 M N 1.320 120.938 119.600 0.029 0.000 2.284 28 M HA 0.330 4.810 4.480 -0.000 0.000 0.351 28 M C 1.010 177.329 176.300 0.032 0.000 1.443 28 M CA 1.143 56.461 55.300 0.030 0.000 1.031 28 M CB 0.135 32.752 32.600 0.030 0.000 1.893 28 M HN 0.256 nan 8.290 nan 0.000 0.456 29 N N 2.487 121.208 118.700 0.033 0.000 2.445 29 N HA 0.204 4.944 4.740 -0.000 0.000 0.204 29 N C -0.992 174.546 175.510 0.047 0.000 1.098 29 N CA -0.217 52.857 53.050 0.040 0.000 0.859 29 N CB 0.969 39.482 38.487 0.043 0.000 1.249 29 N HN 0.385 nan 8.380 nan 0.000 0.462 30 V N 1.234 121.173 119.914 0.042 0.000 2.962 30 V HA 0.395 4.515 4.120 -0.000 0.000 0.313 30 V C -0.971 175.154 176.094 0.051 0.000 1.099 30 V CA -0.873 61.459 62.300 0.054 0.000 0.971 30 V CB 2.465 34.315 31.823 0.045 0.000 1.028 30 V HN 0.139 nan 8.190 nan 0.000 0.430 31 M N 3.950 123.588 119.600 0.063 0.000 2.205 31 M HA 0.607 5.087 4.480 -0.000 0.000 0.344 31 M C -0.402 175.952 176.300 0.091 0.000 1.085 31 M CA -0.521 54.821 55.300 0.070 0.000 1.001 31 M CB 1.038 33.680 32.600 0.070 0.000 1.626 31 M HN 0.768 nan 8.290 nan 0.000 0.442 32 R N 5.242 125.796 120.500 0.091 0.000 2.312 32 R HA 0.612 4.952 4.340 -0.000 0.000 0.311 32 R C -1.918 174.468 176.300 0.143 0.000 1.004 32 R CA -0.458 55.706 56.100 0.108 0.000 0.902 32 R CB 0.900 31.249 30.300 0.082 0.000 1.073 32 R HN 0.859 nan 8.270 nan 0.000 0.457 33 L N 4.181 125.516 121.223 0.187 0.000 2.298 33 L HA 0.334 4.674 4.340 -0.000 0.000 0.284 33 L C -0.422 176.576 176.870 0.214 0.000 1.013 33 L CA -0.982 53.987 54.840 0.216 0.000 0.824 33 L CB 1.556 43.790 42.059 0.291 0.000 1.221 33 L HN 0.650 nan 8.230 nan 0.000 0.418 34 N N 2.717 121.510 118.700 0.156 0.000 2.437 34 N HA 0.166 4.906 4.740 -0.000 0.000 0.243 34 N C 0.026 175.573 175.510 0.062 0.000 1.041 34 N CA -0.134 52.998 53.050 0.135 0.000 0.940 34 N CB 0.488 39.050 38.487 0.124 0.000 1.133 34 N HN 0.332 nan 8.380 nan 0.000 0.506 35 F N 1.399 121.314 119.950 -0.059 0.000 2.731 35 F HA 0.146 4.673 4.527 -0.000 0.000 0.304 35 F C 2.002 177.723 175.800 -0.131 0.000 1.133 35 F CA 0.077 58.017 58.000 -0.100 0.000 1.380 35 F CB 0.156 39.080 39.000 -0.127 0.000 1.079 35 F HN 0.466 nan 8.300 nan 0.000 0.550 36 S N -1.306 114.327 115.700 -0.112 0.000 2.474 36 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 36 S C 0.375 174.534 174.600 -0.736 0.000 0.997 36 S CA 0.733 58.692 58.200 -0.403 0.000 0.949 36 S CB -0.279 62.585 63.200 -0.560 0.000 0.766 36 S HN 0.323 nan 8.310 nan 0.000 0.517 37 H N -1.390 117.663 119.070 -0.029 0.000 2.960 37 H HA 0.532 5.088 4.556 -0.000 0.000 0.338 37 H C 0.447 175.703 175.328 -0.121 0.000 1.261 37 H CA -0.267 55.737 56.048 -0.074 0.000 1.136 37 H CB 0.891 30.609 29.762 -0.074 0.000 1.875 37 H HN 0.271 nan 8.280 nan 0.000 0.550 38 G N 1.160 109.934 108.800 -0.043 0.000 2.781 38 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.683 38 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.683 38 G C -0.965 173.748 174.900 -0.312 0.000 1.390 38 G CA -0.096 44.839 45.100 -0.276 0.000 0.850 38 G HN 0.887 nan 8.290 nan 0.000 0.557 39 D N -1.170 119.018 120.400 -0.352 0.000 2.392 39 D HA 0.580 5.220 4.640 -0.000 0.000 0.246 39 D C 1.131 177.255 176.300 -0.293 0.000 1.013 39 D CA -0.944 52.837 54.000 -0.366 0.000 0.993 39 D CB 0.264 40.916 40.800 -0.247 0.000 1.219 39 D HN 0.334 nan 8.370 nan 0.000 0.538 40 Y N 0.008 120.220 120.300 -0.147 0.000 2.193 40 Y HA -0.091 4.459 4.550 -0.000 0.000 0.285 40 Y C 2.587 178.506 175.900 0.032 0.000 1.166 40 Y CA 1.494 59.455 58.100 -0.232 0.000 1.181 40 Y CB -1.271 37.074 38.460 -0.193 0.000 0.976 40 Y HN 0.575 nan 8.280 nan 0.000 0.520 41 A N 0.086 122.987 122.820 0.136 0.000 1.929 41 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 41 A C 2.117 179.746 177.584 0.075 0.000 1.176 41 A CA 1.444 53.560 52.037 0.131 0.000 0.628 41 A CB -0.487 18.562 19.000 0.083 0.000 0.816 41 A HN 0.531 nan 8.150 nan 0.000 0.444 42 E N -0.686 119.483 120.200 -0.053 0.000 2.017 42 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 42 E C 1.962 178.507 176.600 -0.093 0.000 0.997 42 E CA 1.274 57.587 56.400 -0.146 0.000 0.804 42 E CB -0.499 29.014 29.700 -0.311 0.000 0.757 42 E HN 0.662 nan 8.360 nan 0.000 0.448 43 H N 0.111 119.196 119.070 0.025 0.000 2.319 43 H HA -0.109 4.447 4.556 -0.000 0.000 0.297 43 H C 2.334 177.862 175.328 0.334 0.000 1.097 43 H CA 1.638 57.775 56.048 0.149 0.000 1.285 43 H CB -0.763 29.080 29.762 0.135 0.000 1.368 43 H HN 0.324 nan 8.280 nan 0.000 0.495 44 G N 0.105 109.231 108.800 0.543 0.000 2.422 44 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 44 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 44 G C 1.791 176.810 174.900 0.200 0.000 1.146 44 G CA 0.909 46.248 45.100 0.399 0.000 0.769 44 G HN 0.324 nan 8.290 nan 0.000 0.547 45 Q N 0.388 120.279 119.800 0.152 0.000 2.119 45 Q HA 0.059 4.399 4.340 -0.000 0.000 0.201 45 Q C 2.485 178.531 176.000 0.077 0.000 0.972 45 Q CA 1.277 57.132 55.803 0.086 0.000 0.847 45 Q CB -0.373 28.397 28.738 0.053 0.000 0.903 45 Q HN 0.497 nan 8.270 nan 0.000 0.433 46 R N -0.565 119.992 120.500 0.095 0.000 2.091 46 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 46 R C 2.161 178.523 176.300 0.103 0.000 1.136 46 R CA 1.601 57.756 56.100 0.093 0.000 0.959 46 R CB -0.287 30.080 30.300 0.112 0.000 0.856 46 R HN 0.353 nan 8.270 nan 0.000 0.437 47 I N 0.045 120.696 120.570 0.136 0.000 2.315 47 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 47 I C 2.425 178.573 176.117 0.051 0.000 1.117 47 I CA 0.962 62.319 61.300 0.094 0.000 1.404 47 I CB -0.112 37.944 38.000 0.093 0.000 1.071 47 I HN 0.229 nan 8.210 nan 0.000 0.419 48 Q N 1.187 121.022 119.800 0.059 0.000 2.079 48 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 48 Q C 1.907 177.925 176.000 0.029 0.000 0.974 48 Q CA 1.691 57.516 55.803 0.037 0.000 0.840 48 Q CB -0.095 28.668 28.738 0.041 0.000 0.898 48 Q HN 0.382 nan 8.270 nan 0.000 0.430 49 N N -0.068 118.652 118.700 0.034 0.000 2.166 49 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 49 N C 1.509 177.032 175.510 0.022 0.000 1.019 49 N CA 1.025 54.090 53.050 0.025 0.000 0.856 49 N CB -0.308 38.193 38.487 0.024 0.000 0.993 49 N HN 0.267 nan 8.380 nan 0.000 0.426 50 L N 1.533 122.772 121.223 0.025 0.000 2.109 50 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 50 L C 2.092 178.966 176.870 0.006 0.000 1.086 50 L CA 1.378 56.228 54.840 0.018 0.000 0.760 50 L CB -0.276 41.795 42.059 0.021 0.000 0.910 50 L HN -0.037 nan 8.230 nan 0.000 0.437 51 R N -0.483 120.019 120.500 0.003 0.000 2.096 51 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 51 R C 2.016 178.319 176.300 0.005 0.000 1.127 51 R CA 1.511 57.608 56.100 -0.005 0.000 0.968 51 R CB -0.515 29.780 30.300 -0.007 0.000 0.861 51 R HN 0.450 nan 8.270 nan 0.000 0.440 52 N N 0.119 118.826 118.700 0.010 0.000 2.039 52 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 52 N C 1.758 177.275 175.510 0.012 0.000 1.044 52 N CA 1.272 54.330 53.050 0.012 0.000 0.847 52 N CB -0.310 38.185 38.487 0.013 0.000 1.030 52 N HN -0.088 nan 8.380 nan 0.000 0.422 53 V N 1.065 120.987 119.914 0.013 0.000 2.317 53 V HA -0.333 3.787 4.120 -0.000 0.000 0.251 53 V C 2.195 178.297 176.094 0.014 0.000 1.065 53 V CA 1.614 63.922 62.300 0.013 0.000 1.049 53 V CB -0.498 31.334 31.823 0.014 0.000 0.651 53 V HN 0.369 nan 8.190 nan 0.000 0.450 54 M N -0.231 119.376 119.600 0.012 0.000 2.084 54 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 54 M C 2.562 178.874 176.300 0.020 0.000 1.072 54 M CA 2.533 57.841 55.300 0.015 0.000 1.107 54 M CB -0.599 32.005 32.600 0.007 0.000 1.299 54 M HN 0.460 nan 8.290 nan 0.000 0.413 55 S N 0.032 115.743 115.700 0.019 0.000 2.402 55 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 55 S C 1.786 176.396 174.600 0.017 0.000 1.030 55 S CA 1.543 59.754 58.200 0.020 0.000 1.003 55 S CB -0.256 62.954 63.200 0.017 0.000 0.813 55 S HN 0.380 nan 8.310 nan 0.000 0.477 56 K N -0.166 120.243 120.400 0.015 0.000 2.366 56 K HA 0.015 4.335 4.320 -0.000 0.000 0.198 56 K C 1.693 178.302 176.600 0.015 0.000 1.044 56 K CA 1.441 57.736 56.287 0.014 0.000 0.973 56 K CB 0.018 32.526 32.500 0.013 0.000 0.767 56 K HN 0.731 nan 8.250 nan 0.000 0.475 57 T N -5.108 109.457 114.554 0.017 0.000 2.975 57 T HA 0.200 4.550 4.350 -0.000 0.000 0.261 57 T C 1.257 175.969 174.700 0.020 0.000 0.984 57 T CA 0.341 62.452 62.100 0.018 0.000 0.911 57 T CB 0.964 69.843 68.868 0.019 0.000 1.127 57 T HN 0.193 nan 8.240 nan 0.000 0.514 58 G N 2.277 111.091 108.800 0.022 0.000 2.162 58 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 58 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 58 G C 0.085 175.003 174.900 0.030 0.000 0.976 58 G CA 0.282 45.397 45.100 0.026 0.000 0.655 58 G HN 0.638 nan 8.290 nan 0.000 0.533 59 K N 0.749 121.167 120.400 0.029 0.000 2.180 59 K HA 0.460 4.780 4.320 -0.000 0.000 0.251 59 K C 0.466 177.089 176.600 0.039 0.000 1.014 59 K CA 0.722 57.029 56.287 0.032 0.000 0.913 59 K CB 0.504 33.020 32.500 0.027 0.000 1.008 59 K HN 0.316 nan 8.250 nan 0.000 0.490 60 T N -0.785 113.797 114.554 0.046 0.000 2.885 60 T HA 0.708 5.058 4.350 -0.000 0.000 0.285 60 T C -0.554 174.172 174.700 0.043 0.000 1.019 60 T CA -1.022 61.113 62.100 0.058 0.000 1.010 60 T CB 1.942 70.866 68.868 0.093 0.000 1.022 60 T HN 0.656 nan 8.240 nan 0.000 0.466 61 A N 0.840 123.669 122.820 0.015 0.000 2.552 61 A HA 1.030 5.350 4.320 -0.000 0.000 0.288 61 A C -1.116 176.455 177.584 -0.021 0.000 1.193 61 A CA -0.847 51.196 52.037 0.010 0.000 0.713 61 A CB 1.219 20.221 19.000 0.003 0.000 1.305 61 A HN 1.390 nan 8.150 nan 0.000 0.424 62 A N -0.451 122.387 122.820 0.029 0.000 2.479 62 A HA 0.832 5.152 4.320 -0.000 0.000 0.296 62 A C -1.186 176.442 177.584 0.074 0.000 1.121 62 A CA -0.461 51.602 52.037 0.044 0.000 0.743 62 A CB 0.925 20.060 19.000 0.225 0.000 1.323 62 A HN 0.778 nan 8.150 nan 0.000 0.415 63 I N 0.880 121.499 120.570 0.081 0.000 2.406 63 I HA 0.459 4.629 4.170 -0.000 0.000 0.290 63 I C -0.944 175.292 176.117 0.199 0.000 0.999 63 I CA -0.371 60.993 61.300 0.107 0.000 1.124 63 I CB 1.770 39.794 38.000 0.041 0.000 1.289 63 I HN 0.566 nan 8.210 nan 0.000 0.441 64 L N 7.708 129.054 121.223 0.204 0.000 2.372 64 L HA 0.540 4.880 4.340 -0.000 0.000 0.273 64 L C -1.415 175.558 176.870 0.172 0.000 0.989 64 L CA -0.523 54.446 54.840 0.214 0.000 0.841 64 L CB 1.460 43.608 42.059 0.147 0.000 1.225 64 L HN 0.578 nan 8.230 nan 0.000 0.414 65 L N 4.879 126.199 121.223 0.161 0.000 2.261 65 L HA 0.389 4.729 4.340 -0.000 0.000 0.289 65 L C -0.599 176.337 176.870 0.110 0.000 1.059 65 L CA -0.315 54.612 54.840 0.144 0.000 0.816 65 L CB 0.737 42.823 42.059 0.046 0.000 1.191 65 L HN 0.612 nan 8.230 nan 0.000 0.431 66 D N 3.826 124.319 120.400 0.155 0.000 2.339 66 D HA 0.112 4.752 4.640 -0.000 0.000 0.241 66 D C 0.104 176.465 176.300 0.103 0.000 1.183 66 D CA -0.073 53.997 54.000 0.117 0.000 0.859 66 D CB 1.261 42.131 40.800 0.117 0.000 1.067 66 D HN 0.601 nan 8.370 nan 0.000 0.484 67 T N 0.654 115.239 114.554 0.052 0.000 2.856 67 T HA 0.072 4.422 4.350 -0.000 0.000 0.306 67 T C 1.177 175.905 174.700 0.047 0.000 1.062 67 T CA -0.355 61.764 62.100 0.032 0.000 1.083 67 T CB 1.774 70.646 68.868 0.007 0.000 0.984 67 T HN 0.378 nan 8.240 nan 0.000 0.542 68 K N 1.430 121.853 120.400 0.037 0.000 2.137 68 K HA 0.240 4.560 4.320 -0.000 0.000 0.202 68 K C 1.155 177.746 176.600 -0.015 0.000 1.052 68 K CA 0.836 57.123 56.287 0.001 0.000 0.961 68 K CB -0.875 31.615 32.500 -0.016 0.000 0.741 68 K HN 1.156 nan 8.250 nan 0.000 0.452 69 G N 1.186 109.983 108.800 -0.006 0.000 2.828 69 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.463 69 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.463 69 G C -2.816 172.057 174.900 -0.045 0.000 1.394 69 G CA -0.570 44.527 45.100 -0.004 0.000 0.862 69 G HN 0.213 nan 8.290 nan 0.000 0.540 70 P HA 0.558 nan 4.420 nan 0.000 0.279 70 P C -0.172 176.991 177.300 -0.228 0.000 1.252 70 P CA -0.129 62.913 63.100 -0.096 0.000 0.811 70 P CB 1.208 32.882 31.700 -0.044 0.000 1.035 71 E N 0.039 120.110 120.200 -0.216 0.000 2.449 71 E HA 0.531 4.881 4.350 -0.000 0.000 0.278 71 E C -0.879 175.585 176.600 -0.227 0.000 0.992 71 E CA -0.777 55.455 56.400 -0.281 0.000 0.807 71 E CB 1.692 31.280 29.700 -0.187 0.000 1.350 71 E HN 0.258 nan 8.360 nan 0.000 0.462 72 I N 1.497 121.934 120.570 -0.223 0.000 2.404 72 I HA 0.458 4.628 4.170 -0.000 0.000 0.293 72 I C -0.213 175.837 176.117 -0.113 0.000 0.992 72 I CA -0.601 60.619 61.300 -0.133 0.000 1.149 72 I CB 1.067 39.008 38.000 -0.099 0.000 1.315 72 I HN 0.195 nan 8.210 nan 0.000 0.446 73 R N 2.705 123.152 120.500 -0.088 0.000 2.867 73 R HA 0.532 4.872 4.340 -0.000 0.000 0.268 73 R C -0.723 175.546 176.300 -0.052 0.000 1.014 73 R CA -0.758 55.304 56.100 -0.062 0.000 0.946 73 R CB 2.486 32.761 30.300 -0.042 0.000 1.208 73 R HN 0.686 nan 8.270 nan 0.000 0.477 74 T N -1.405 113.149 114.554 0.001 0.000 2.899 74 T HA 0.500 4.850 4.350 -0.000 0.000 0.284 74 T C 0.987 175.709 174.700 0.036 0.000 1.004 74 T CA -0.564 61.573 62.100 0.062 0.000 1.043 74 T CB 1.158 70.110 68.868 0.140 0.000 1.013 74 T HN 0.380 nan 8.240 nan 0.000 0.518 75 M N 0.327 119.951 119.600 0.039 0.000 2.318 75 M HA 0.432 4.912 4.480 -0.000 0.000 0.214 75 M C 0.468 176.783 176.300 0.025 0.000 0.644 75 M CA -1.073 54.240 55.300 0.021 0.000 1.869 75 M CB 0.254 32.860 32.600 0.011 0.000 1.117 75 M HN 0.409 nan 8.290 nan 0.000 0.906 76 K N 1.772 122.182 120.400 0.017 0.000 2.168 76 K HA 0.549 4.869 4.320 -0.000 0.000 0.258 76 K C -0.823 175.788 176.600 0.018 0.000 1.010 76 K CA 0.019 56.315 56.287 0.014 0.000 0.929 76 K CB 0.732 33.236 32.500 0.007 0.000 0.998 76 K HN 0.434 nan 8.250 nan 0.000 0.479 77 L N 1.068 122.301 121.223 0.016 0.000 2.341 77 L HA 0.301 4.641 4.340 -0.000 0.000 0.267 77 L C 0.216 177.091 176.870 0.009 0.000 1.009 77 L CA -0.994 53.856 54.840 0.017 0.000 0.819 77 L CB 1.805 43.877 42.059 0.022 0.000 1.323 77 L HN 0.544 nan 8.230 nan 0.000 0.425 78 E N 1.098 121.303 120.200 0.008 0.000 2.606 78 E HA 0.084 4.434 4.350 -0.000 0.000 0.248 78 E C 0.920 177.522 176.600 0.004 0.000 1.005 78 E CA 1.018 57.420 56.400 0.003 0.000 0.946 78 E CB 0.283 29.985 29.700 0.003 0.000 0.928 78 E HN 0.875 nan 8.360 nan 0.000 0.494 79 G N 3.232 112.033 108.800 0.001 0.000 2.196 79 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.268 79 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.268 79 G C 0.886 175.787 174.900 0.001 0.000 0.975 79 G CA 0.325 45.425 45.100 0.000 0.000 0.648 79 G HN 1.282 nan 8.290 nan 0.000 0.538 80 G N -1.318 107.484 108.800 0.002 0.000 2.147 80 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 80 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 80 G C -0.029 174.873 174.900 0.003 0.000 1.005 80 G CA 0.546 45.648 45.100 0.003 0.000 0.713 80 G HN 1.119 nan 8.290 nan 0.000 0.515 81 N N 0.716 119.418 118.700 0.004 0.000 2.417 81 N HA 0.441 5.181 4.740 -0.000 0.000 0.300 81 N C -0.554 174.959 175.510 0.005 0.000 1.102 81 N CA -0.665 52.387 53.050 0.003 0.000 0.886 81 N CB 1.175 39.663 38.487 0.002 0.000 1.203 81 N HN 0.086 nan 8.380 nan 0.000 0.496 82 D N 0.325 120.725 120.400 0.001 0.000 2.400 82 D HA 0.178 4.818 4.640 -0.000 0.000 0.238 82 D C 0.037 176.336 176.300 -0.001 0.000 1.157 82 D CA 0.165 54.164 54.000 -0.002 0.000 0.889 82 D CB 0.798 41.594 40.800 -0.007 0.000 1.199 82 D HN 0.238 nan 8.370 nan 0.000 0.436 83 V N -1.426 118.486 119.914 -0.005 0.000 2.588 83 V HA 0.614 4.734 4.120 -0.000 0.000 0.304 83 V C -0.317 175.763 176.094 -0.024 0.000 1.042 83 V CA -0.938 61.361 62.300 -0.002 0.000 0.877 83 V CB 1.911 33.748 31.823 0.024 0.000 0.996 83 V HN 0.396 nan 8.190 nan 0.000 0.425 84 S N 6.026 121.714 115.700 -0.021 0.000 2.489 84 S HA 0.667 5.137 4.470 -0.000 0.000 0.277 84 S C -0.191 174.381 174.600 -0.047 0.000 1.230 84 S CA -0.612 57.567 58.200 -0.035 0.000 1.053 84 S CB 0.813 63.999 63.200 -0.023 0.000 0.955 84 S HN 0.678 nan 8.310 nan 0.000 0.488 85 L N 2.467 123.639 121.223 -0.085 0.000 2.343 85 L HA 0.658 4.998 4.340 -0.000 0.000 0.275 85 L C 0.479 177.315 176.870 -0.057 0.000 1.056 85 L CA -0.722 54.059 54.840 -0.099 0.000 0.804 85 L CB 0.955 42.878 42.059 -0.227 0.000 1.203 85 L HN 0.722 nan 8.230 nan 0.000 0.440 86 K N 1.648 122.030 120.400 -0.031 0.000 2.345 86 K HA 0.771 5.091 4.320 -0.000 0.000 0.255 86 K C -0.113 176.485 176.600 -0.005 0.000 0.934 86 K CA -0.250 56.029 56.287 -0.014 0.000 0.801 86 K CB 1.667 34.165 32.500 -0.003 0.000 1.137 86 K HN 0.778 nan 8.250 nan 0.000 0.424 87 A N 0.317 123.135 122.820 -0.004 0.000 2.561 87 A HA 0.488 4.808 4.320 -0.000 0.000 0.234 87 A C 1.747 179.340 177.584 0.015 0.000 1.055 87 A CA 1.547 53.587 52.037 0.005 0.000 0.756 87 A CB -0.733 18.270 19.000 0.005 0.000 0.986 87 A HN 2.553 nan 8.150 nan 0.000 0.505 88 G N 0.230 109.045 108.800 0.023 0.000 2.284 88 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.230 88 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.230 88 G C 0.573 175.495 174.900 0.036 0.000 1.021 88 G CA 0.608 45.724 45.100 0.027 0.000 0.619 88 G HN 1.382 nan 8.290 nan 0.000 0.510 89 Q N 1.476 121.299 119.800 0.039 0.000 2.474 89 Q HA 0.456 4.796 4.340 -0.000 0.000 0.256 89 Q C -0.181 175.866 176.000 0.079 0.000 1.048 89 Q CA 0.823 56.658 55.803 0.053 0.000 0.922 89 Q CB 0.311 29.081 28.738 0.053 0.000 1.288 89 Q HN 0.270 nan 8.270 nan 0.000 0.484 90 T N 3.859 118.461 114.554 0.080 0.000 2.856 90 T HA 0.462 4.812 4.350 -0.000 0.000 0.292 90 T C -1.038 173.752 174.700 0.150 0.000 0.980 90 T CA -0.181 61.974 62.100 0.092 0.000 1.091 90 T CB 0.217 69.113 68.868 0.047 0.000 0.936 90 T HN 0.458 nan 8.240 nan 0.000 0.503 91 F N 1.652 121.584 119.950 -0.029 0.000 2.601 91 F HA 0.584 5.111 4.527 -0.000 0.000 0.309 91 F C -0.869 174.853 175.800 -0.129 0.000 1.089 91 F CA -0.476 57.462 58.000 -0.102 0.000 0.940 91 F CB 1.904 40.829 39.000 -0.126 0.000 1.273 91 F HN 0.481 nan 8.300 nan 0.000 0.450 92 T N 4.857 118.812 114.554 -0.998 0.000 2.893 92 T HA 0.563 4.913 4.350 -0.000 0.000 0.293 92 T C -1.421 172.813 174.700 -0.777 0.000 1.027 92 T CA -0.340 61.417 62.100 -0.572 0.000 0.988 92 T CB 1.199 69.877 68.868 -0.316 0.000 1.043 92 T HN 0.333 nan 8.240 nan 0.000 0.461 93 F N 1.350 121.249 119.950 -0.084 0.000 2.443 93 F HA 0.601 5.128 4.527 -0.000 0.000 0.335 93 F C 0.901 176.701 175.800 0.000 0.000 1.104 93 F CA -0.601 57.394 58.000 -0.009 0.000 1.013 93 F CB 2.015 41.152 39.000 0.228 0.000 1.136 93 F HN 0.375 nan 8.300 nan 0.000 0.470 94 T N 0.506 115.125 114.554 0.109 0.000 2.856 94 T HA 0.289 4.639 4.350 -0.000 0.000 0.283 94 T C 0.884 175.613 174.700 0.049 0.000 1.008 94 T CA -0.390 61.746 62.100 0.061 0.000 0.997 94 T CB 1.113 69.974 68.868 -0.013 0.000 0.992 94 T HN 0.769 nan 8.240 nan 0.000 0.454 95 T N 0.716 115.298 114.554 0.046 0.000 3.085 95 T HA 0.061 4.411 4.350 -0.000 0.000 0.263 95 T C 0.718 175.416 174.700 -0.004 0.000 1.127 95 T CA 0.060 62.169 62.100 0.016 0.000 1.103 95 T CB -0.101 68.771 68.868 0.006 0.000 0.921 95 T HN 0.523 nan 8.240 nan 0.000 0.510 96 D N 2.224 122.623 120.400 -0.002 0.000 2.398 96 D HA 0.094 4.734 4.640 -0.000 0.000 0.250 96 D C 0.986 177.281 176.300 -0.009 0.000 1.287 96 D CA -0.158 53.837 54.000 -0.008 0.000 0.992 96 D CB 0.445 41.239 40.800 -0.010 0.000 1.071 96 D HN 0.049 nan 8.370 nan 0.000 0.514 97 K N 1.325 121.720 120.400 -0.008 0.000 2.520 97 K HA -0.140 4.180 4.320 -0.000 0.000 0.198 97 K C 1.477 178.073 176.600 -0.006 0.000 1.045 97 K CA 0.627 56.910 56.287 -0.006 0.000 0.934 97 K CB -0.031 32.466 32.500 -0.004 0.000 0.766 97 K HN 0.400 nan 8.250 nan 0.000 0.483 98 S N -0.816 114.879 115.700 -0.008 0.000 2.497 98 S HA 0.040 4.510 4.470 -0.000 0.000 0.218 98 S C 0.845 175.438 174.600 -0.011 0.000 1.023 98 S CA -0.436 57.759 58.200 -0.008 0.000 0.913 98 S CB 0.202 63.397 63.200 -0.008 0.000 0.800 98 S HN -0.095 nan 8.310 nan 0.000 0.505 99 V N 3.374 123.279 119.914 -0.015 0.000 2.872 99 V HA 0.205 4.325 4.120 -0.000 0.000 0.307 99 V C 0.212 176.296 176.094 -0.017 0.000 1.072 99 V CA 0.099 62.386 62.300 -0.021 0.000 1.148 99 V CB 0.575 32.378 31.823 -0.033 0.000 0.954 99 V HN 0.473 nan 8.190 nan 0.000 0.490 100 I N 3.813 124.372 120.570 -0.018 0.000 2.382 100 I HA 0.387 4.557 4.170 -0.000 0.000 0.285 100 I C 0.775 176.881 176.117 -0.018 0.000 1.007 100 I CA 0.114 61.407 61.300 -0.012 0.000 1.142 100 I CB 1.063 39.058 38.000 -0.009 0.000 1.289 100 I HN 0.735 nan 8.210 nan 0.000 0.453 101 G N 5.516 114.310 108.800 -0.011 0.000 2.599 101 G HA2 0.450 4.410 3.960 -0.000 0.000 0.264 101 G HA3 0.450 4.410 3.960 -0.000 0.000 0.264 101 G C -0.157 174.746 174.900 0.006 0.000 1.200 101 G CA -0.182 44.908 45.100 -0.016 0.000 0.896 101 G HN 0.751 nan 8.290 nan 0.000 0.536 102 N N -3.042 115.667 118.700 0.015 0.000 3.574 102 N HA 0.237 4.977 4.740 -0.000 0.000 0.340 102 N C 0.933 176.502 175.510 0.099 0.000 1.650 102 N CA 0.113 53.185 53.050 0.036 0.000 0.762 102 N CB 0.454 38.944 38.487 0.006 0.000 2.206 102 N HN 0.447 nan 8.380 nan 0.000 0.621 103 S N -1.760 113.991 115.700 0.086 0.000 2.603 103 S HA 0.049 4.519 4.470 -0.000 0.000 0.229 103 S C 0.303 175.028 174.600 0.209 0.000 0.972 103 S CA 0.794 59.078 58.200 0.139 0.000 0.935 103 S CB -0.440 62.801 63.200 0.069 0.000 0.769 103 S HN 0.533 nan 8.310 nan 0.000 0.536 104 E N -0.136 120.111 120.200 0.077 0.000 2.465 104 E HA 0.469 4.819 4.350 -0.000 0.000 0.209 104 E C 0.034 176.338 176.600 -0.494 0.000 0.951 104 E CA 0.194 56.567 56.400 -0.045 0.000 0.997 104 E CB 0.971 30.626 29.700 -0.075 0.000 1.025 104 E HN 0.769 nan 8.360 nan 0.000 0.500 105 M N -0.924 118.322 119.600 -0.590 0.000 2.694 105 M HA 0.469 4.949 4.480 -0.000 0.000 0.276 105 M C -2.242 173.748 176.300 -0.516 0.000 1.167 105 M CA -0.684 54.065 55.300 -0.918 0.000 0.849 105 M CB 1.868 34.188 32.600 -0.467 0.000 1.705 105 M HN -0.199 nan 8.290 nan 0.000 0.504 106 V N 1.568 121.177 119.914 -0.509 0.000 3.216 106 V HA 0.991 5.111 4.120 -0.000 0.000 0.302 106 V C -1.470 174.576 176.094 -0.081 0.000 1.286 106 V CA -0.002 62.214 62.300 -0.140 0.000 1.048 106 V CB 2.391 34.272 31.823 0.097 0.000 1.081 106 V HN 1.358 nan 8.190 nan 0.000 0.442 107 A N 2.696 125.515 122.820 -0.002 0.000 2.282 107 A HA 0.908 5.228 4.320 -0.000 0.000 0.319 107 A C -0.504 177.100 177.584 0.033 0.000 1.121 107 A CA 0.024 52.069 52.037 0.015 0.000 0.836 107 A CB 1.547 20.544 19.000 -0.006 0.000 1.146 107 A HN 1.924 nan 8.150 nan 0.000 0.494 108 V N -0.745 119.151 119.914 -0.029 0.000 2.769 108 V HA 0.652 4.772 4.120 -0.000 0.000 0.312 108 V C 0.791 176.842 176.094 -0.073 0.000 1.061 108 V CA 0.193 62.416 62.300 -0.129 0.000 0.931 108 V CB 0.991 32.521 31.823 -0.489 0.000 1.010 108 V HN 1.195 nan 8.190 nan 0.000 0.433 109 T N -0.637 113.892 114.554 -0.041 0.000 3.113 109 T HA 0.010 4.360 4.350 -0.000 0.000 0.263 109 T C 0.377 175.125 174.700 0.080 0.000 1.143 109 T CA 1.144 63.252 62.100 0.012 0.000 1.090 109 T CB -0.510 68.365 68.868 0.011 0.000 0.922 109 T HN 0.898 nan 8.240 nan 0.000 0.521 110 Y N 1.760 122.023 120.300 -0.062 0.000 2.587 110 Y HA 0.416 4.966 4.550 -0.000 0.000 0.328 110 Y C 1.011 176.949 175.900 0.063 0.000 0.980 110 Y CA -2.314 55.789 58.100 0.005 0.000 1.272 110 Y CB 0.781 39.265 38.460 0.040 0.000 1.094 110 Y HN 0.064 nan 8.280 nan 0.000 0.503 111 E N 2.944 122.979 120.200 -0.275 0.000 2.187 111 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 111 E C 1.347 177.649 176.600 -0.496 0.000 1.004 111 E CA 1.366 57.594 56.400 -0.287 0.000 0.813 111 E CB 0.068 29.673 29.700 -0.160 0.000 0.736 111 E HN 0.965 nan 8.360 nan 0.000 0.468 112 G N -0.554 107.520 108.800 -1.210 0.000 3.262 112 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.228 112 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.228 112 G C 0.831 175.434 174.900 -0.495 0.000 1.197 112 G CA -0.461 44.123 45.100 -0.860 0.000 0.819 112 G HN 0.178 nan 8.290 nan 0.000 0.531 113 F N 2.432 122.073 119.950 -0.515 0.000 2.171 113 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 113 F C 2.782 178.572 175.800 -0.017 0.000 1.090 113 F CA 2.013 60.003 58.000 -0.018 0.000 1.293 113 F CB -0.090 38.938 39.000 0.047 0.000 1.013 113 F HN 0.210 nan 8.300 nan 0.000 0.486 114 T N -3.478 111.111 114.554 0.057 0.000 2.904 114 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 114 T C 1.882 176.559 174.700 -0.037 0.000 1.059 114 T CA 1.575 63.676 62.100 0.001 0.000 1.137 114 T CB -0.866 68.018 68.868 0.026 0.000 0.879 114 T HN 0.173 nan 8.240 nan 0.000 0.467 115 T N 2.080 116.612 114.554 -0.036 0.000 2.857 115 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 115 T C 1.507 176.198 174.700 -0.015 0.000 1.048 115 T CA 1.217 63.303 62.100 -0.023 0.000 1.139 115 T CB -0.382 68.473 68.868 -0.021 0.000 0.874 115 T HN 0.361 nan 8.240 nan 0.000 0.455 116 D N 0.266 120.667 120.400 0.002 0.000 2.234 116 D HA 0.109 4.749 4.640 -0.000 0.000 0.205 116 D C 0.663 176.934 176.300 -0.048 0.000 0.962 116 D CA 0.191 54.205 54.000 0.023 0.000 0.855 116 D CB -0.136 40.742 40.800 0.129 0.000 0.951 116 D HN 0.182 nan 8.370 nan 0.000 0.500 117 L N -0.060 121.085 121.223 -0.130 0.000 2.479 117 L HA 0.377 4.717 4.340 -0.000 0.000 0.249 117 L C 0.327 177.137 176.870 -0.100 0.000 1.178 117 L CA -0.034 54.696 54.840 -0.182 0.000 0.811 117 L CB 1.034 42.877 42.059 -0.359 0.000 1.187 117 L HN -0.275 nan 8.230 nan 0.000 0.480 118 S N -1.116 114.534 115.700 -0.084 0.000 2.537 118 S HA 0.459 4.929 4.470 -0.000 0.000 0.270 118 S C -1.169 173.413 174.600 -0.030 0.000 1.142 118 S CA -0.659 57.515 58.200 -0.044 0.000 0.870 118 S CB 1.838 65.019 63.200 -0.032 0.000 1.112 118 S HN 0.248 nan 8.310 nan 0.000 0.466 119 V N 2.733 122.639 119.914 -0.013 0.000 2.681 119 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 119 V C 1.616 177.711 176.094 0.001 0.000 1.077 119 V CA 2.110 64.411 62.300 0.001 0.000 1.224 119 V CB 0.033 31.861 31.823 0.007 0.000 0.879 119 V HN 1.401 nan 8.190 nan 0.000 0.494 120 G N 3.600 112.405 108.800 0.009 0.000 2.254 120 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.225 120 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.225 120 G C 0.220 175.123 174.900 0.005 0.000 1.003 120 G CA 0.183 45.288 45.100 0.009 0.000 0.622 120 G HN 0.666 nan 8.290 nan 0.000 0.507 121 N N 1.037 119.733 118.700 -0.007 0.000 2.482 121 N HA 0.439 5.179 4.740 -0.000 0.000 0.260 121 N C -0.176 175.331 175.510 -0.005 0.000 1.236 121 N CA 0.662 53.702 53.050 -0.017 0.000 0.938 121 N CB 0.466 38.924 38.487 -0.048 0.000 1.128 121 N HN 0.176 nan 8.380 nan 0.000 0.448 122 T N 1.274 115.828 114.554 -0.001 0.000 2.837 122 T HA 0.332 4.682 4.350 -0.000 0.000 0.285 122 T C -0.251 174.454 174.700 0.008 0.000 0.984 122 T CA -0.511 61.599 62.100 0.017 0.000 1.049 122 T CB 1.252 70.133 68.868 0.022 0.000 0.947 122 T HN 0.037 nan 8.240 nan 0.000 0.472 123 V N 4.753 124.688 119.914 0.036 0.000 2.495 123 V HA 0.511 4.631 4.120 -0.000 0.000 0.298 123 V C -0.268 175.869 176.094 0.073 0.000 1.031 123 V CA -0.823 61.499 62.300 0.037 0.000 0.871 123 V CB 1.423 33.278 31.823 0.054 0.000 0.988 123 V HN 0.684 nan 8.190 nan 0.000 0.432 124 L N 4.858 126.116 121.223 0.058 0.000 2.334 124 L HA 0.815 5.155 4.340 -0.000 0.000 0.273 124 L C -0.755 176.153 176.870 0.064 0.000 1.013 124 L CA -0.910 53.965 54.840 0.058 0.000 0.816 124 L CB 2.073 44.155 42.059 0.038 0.000 1.278 124 L HN 0.317 nan 8.230 nan 0.000 0.431 125 V N 0.137 120.091 119.914 0.067 0.000 2.876 125 V HA 0.299 4.419 4.120 -0.000 0.000 0.312 125 V C -0.531 175.583 176.094 0.034 0.000 1.085 125 V CA -0.497 61.845 62.300 0.070 0.000 0.945 125 V CB 1.873 33.770 31.823 0.122 0.000 1.017 125 V HN 0.884 nan 8.190 nan 0.000 0.428 126 D N 3.310 123.726 120.400 0.026 0.000 3.082 126 D HA -0.177 4.463 4.640 -0.000 0.000 0.234 126 D C 0.297 176.602 176.300 0.008 0.000 1.159 126 D CA 1.046 55.053 54.000 0.012 0.000 0.875 126 D CB -0.818 39.986 40.800 0.007 0.000 0.946 126 D HN 0.874 nan 8.370 nan 0.000 0.411 127 D N 0.619 121.023 120.400 0.006 0.000 2.755 127 D HA -0.176 4.464 4.640 -0.000 0.000 0.227 127 D C 1.326 177.632 176.300 0.010 0.000 1.211 127 D CA 1.886 55.890 54.000 0.007 0.000 0.663 127 D CB -1.324 39.480 40.800 0.006 0.000 0.983 127 D HN 1.004 nan 8.370 nan 0.000 0.407 128 G N -0.609 108.200 108.800 0.014 0.000 2.175 128 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.265 128 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.265 128 G C 1.038 175.945 174.900 0.011 0.000 0.979 128 G CA 0.692 45.802 45.100 0.016 0.000 0.663 128 G HN 0.485 nan 8.290 nan 0.000 0.533 129 L N 0.029 121.257 121.223 0.007 0.000 1.989 129 L HA 0.275 4.615 4.340 -0.000 0.000 0.211 129 L C 1.484 178.352 176.870 -0.003 0.000 1.071 129 L CA 1.857 56.697 54.840 -0.000 0.000 0.749 129 L CB -0.148 41.907 42.059 -0.006 0.000 0.890 129 L HN 0.439 nan 8.230 nan 0.000 0.431 130 I N -0.647 119.921 120.570 -0.002 0.000 2.460 130 I HA 0.510 4.680 4.170 -0.000 0.000 0.298 130 I C 0.359 176.488 176.117 0.020 0.000 0.989 130 I CA -0.311 60.984 61.300 -0.009 0.000 1.173 130 I CB 1.471 39.442 38.000 -0.049 0.000 1.338 130 I HN 0.112 nan 8.210 nan 0.000 0.456 131 G N 5.742 114.558 108.800 0.025 0.000 2.473 131 G HA2 0.885 4.845 3.960 -0.000 0.000 0.321 131 G HA3 0.885 4.845 3.960 -0.000 0.000 0.321 131 G C -0.972 173.969 174.900 0.068 0.000 1.200 131 G CA -0.676 44.454 45.100 0.051 0.000 0.963 131 G HN 0.477 nan 8.290 nan 0.000 0.483 132 M N 0.027 119.690 119.600 0.105 0.000 2.569 132 M HA 0.441 4.921 4.480 -0.000 0.000 0.279 132 M C -1.045 175.326 176.300 0.119 0.000 1.253 132 M CA -0.725 54.654 55.300 0.132 0.000 0.867 132 M CB 3.084 35.821 32.600 0.228 0.000 1.727 132 M HN 0.485 nan 8.290 nan 0.000 0.467 133 E N 1.097 121.362 120.200 0.108 0.000 2.179 133 E HA 0.534 4.884 4.350 -0.000 0.000 0.275 133 E C -1.413 175.245 176.600 0.097 0.000 0.945 133 E CA -0.722 55.727 56.400 0.082 0.000 0.792 133 E CB 2.020 31.754 29.700 0.058 0.000 1.125 133 E HN 0.501 nan 8.360 nan 0.000 0.397 134 V N 4.144 124.101 119.914 0.071 0.000 2.470 134 V HA 0.019 4.139 4.120 -0.000 0.000 0.276 134 V C 1.315 177.441 176.094 0.053 0.000 1.040 134 V CA 0.466 62.808 62.300 0.070 0.000 1.008 134 V CB 0.813 32.652 31.823 0.027 0.000 0.990 134 V HN 0.942 nan 8.190 nan 0.000 0.477 135 T N 1.518 116.111 114.554 0.065 0.000 3.034 135 T HA 0.508 4.858 4.350 -0.000 0.000 0.248 135 T C 0.527 175.249 174.700 0.036 0.000 1.040 135 T CA 0.537 62.665 62.100 0.047 0.000 1.107 135 T CB 0.474 69.371 68.868 0.048 0.000 0.932 135 T HN 0.971 nan 8.240 nan 0.000 0.474 136 A N 0.323 123.168 122.820 0.042 0.000 2.547 136 A HA 0.735 5.055 4.320 -0.000 0.000 0.297 136 A C -1.650 175.955 177.584 0.036 0.000 1.056 136 A CA -0.924 51.132 52.037 0.032 0.000 0.688 136 A CB 1.180 20.196 19.000 0.027 0.000 1.282 136 A HN 0.378 nan 8.150 nan 0.000 0.400 137 I N 1.621 122.206 120.570 0.024 0.000 2.436 137 I HA 0.546 4.716 4.170 -0.000 0.000 0.289 137 I C -0.306 175.824 176.117 0.021 0.000 1.010 137 I CA -0.061 61.255 61.300 0.026 0.000 1.098 137 I CB 2.010 40.016 38.000 0.010 0.000 1.266 137 I HN 0.841 nan 8.210 nan 0.000 0.434 138 E N 5.585 125.801 120.200 0.026 0.000 2.347 138 E HA 0.611 4.961 4.350 -0.000 0.000 0.285 138 E C -0.020 176.591 176.600 0.018 0.000 0.925 138 E CA -0.647 55.763 56.400 0.017 0.000 0.779 138 E CB 1.740 31.448 29.700 0.013 0.000 1.233 138 E HN 0.774 nan 8.360 nan 0.000 0.414 139 G N 4.036 112.843 108.800 0.012 0.000 2.566 139 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.280 139 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.280 139 G C 0.335 175.245 174.900 0.017 0.000 1.225 139 G CA 0.453 45.559 45.100 0.010 0.000 0.966 139 G HN 1.035 nan 8.290 nan 0.000 0.560 140 N N 1.032 119.743 118.700 0.018 0.000 2.375 140 N HA 0.164 4.904 4.740 -0.000 0.000 0.220 140 N C 0.184 175.729 175.510 0.058 0.000 1.170 140 N CA 0.630 53.698 53.050 0.030 0.000 0.833 140 N CB 0.246 38.742 38.487 0.014 0.000 1.069 140 N HN 0.723 nan 8.380 nan 0.000 0.479 141 K N -0.018 120.418 120.400 0.060 0.000 2.345 141 K HA 0.479 4.799 4.320 -0.000 0.000 0.255 141 K C -1.266 175.405 176.600 0.118 0.000 0.934 141 K CA -0.829 55.506 56.287 0.080 0.000 0.801 141 K CB 2.763 35.281 32.500 0.030 0.000 1.137 141 K HN -0.160 nan 8.250 nan 0.000 0.424 142 V N 5.031 125.070 119.914 0.208 0.000 2.378 142 V HA 0.389 4.509 4.120 -0.000 0.000 0.288 142 V C -0.548 175.693 176.094 0.246 0.000 1.016 142 V CA -0.789 61.652 62.300 0.236 0.000 0.840 142 V CB 1.146 33.159 31.823 0.317 0.000 0.994 142 V HN 0.616 nan 8.190 nan 0.000 0.431 143 I N 4.878 125.539 120.570 0.152 0.000 2.354 143 I HA 0.603 4.773 4.170 -0.000 0.000 0.292 143 I C 0.035 176.239 176.117 0.145 0.000 0.989 143 I CA 0.256 61.623 61.300 0.112 0.000 1.188 143 I CB 1.384 39.416 38.000 0.054 0.000 1.342 143 I HN 0.605 nan 8.210 nan 0.000 0.457 144 C N 3.885 123.292 119.300 0.178 0.000 3.161 144 C HA 0.620 5.080 4.460 -0.000 0.000 0.330 144 C C -0.336 174.747 174.990 0.154 0.000 1.396 144 C CA -1.093 58.039 59.018 0.189 0.000 1.536 144 C CB 2.104 30.035 27.740 0.319 0.000 1.978 144 C HN 0.735 nan 8.230 nan 0.000 0.454 145 K N 0.556 121.035 120.400 0.132 0.000 2.292 145 K HA 0.654 4.974 4.320 -0.000 0.000 0.257 145 K C -1.294 175.369 176.600 0.104 0.000 0.940 145 K CA -0.249 56.100 56.287 0.103 0.000 0.811 145 K CB 1.431 33.973 32.500 0.070 0.000 1.120 145 K HN 0.489 nan 8.250 nan 0.000 0.428 146 V N 6.317 126.284 119.914 0.088 0.000 2.521 146 V HA 0.021 4.141 4.120 -0.000 0.000 0.286 146 V C 1.136 177.252 176.094 0.037 0.000 1.034 146 V CA 0.112 62.442 62.300 0.050 0.000 1.045 146 V CB 0.807 32.632 31.823 0.003 0.000 0.974 146 V HN 0.800 nan 8.190 nan 0.000 0.480 147 L N 5.306 126.549 121.223 0.034 0.000 2.567 147 L HA 0.285 4.625 4.340 -0.000 0.000 0.225 147 L C 0.695 177.573 176.870 0.013 0.000 1.119 147 L CA 0.198 55.053 54.840 0.026 0.000 0.871 147 L CB -0.340 41.737 42.059 0.030 0.000 1.036 147 L HN 0.865 nan 8.230 nan 0.000 0.459 148 N N -1.514 117.188 118.700 0.003 0.000 2.745 148 N HA 0.088 4.828 4.740 -0.000 0.000 0.256 148 N C -1.392 174.107 175.510 -0.018 0.000 1.268 148 N CA -0.655 52.392 53.050 -0.004 0.000 0.887 148 N CB 0.951 39.437 38.487 -0.002 0.000 1.575 148 N HN -0.216 nan 8.380 nan 0.000 0.496 149 N N -1.057 117.633 118.700 -0.017 0.000 2.518 149 N HA 0.652 5.392 4.740 -0.000 0.000 0.266 149 N C -0.027 175.463 175.510 -0.033 0.000 1.196 149 N CA 1.126 54.161 53.050 -0.025 0.000 0.947 149 N CB 0.857 39.334 38.487 -0.016 0.000 1.098 149 N HN 0.823 nan 8.380 nan 0.000 0.450 150 G N 0.579 109.351 108.800 -0.046 0.000 2.356 150 G HA2 0.202 4.162 3.960 -0.000 0.000 0.294 150 G HA3 0.202 4.162 3.960 -0.000 0.000 0.294 150 G C -2.135 172.730 174.900 -0.058 0.000 1.423 150 G CA -0.757 44.316 45.100 -0.045 0.000 0.806 150 G HN 0.452 nan 8.290 nan 0.000 0.527 151 D N 0.170 120.542 120.400 -0.047 0.000 2.192 151 D HA 0.452 5.092 4.640 -0.000 0.000 0.246 151 D C -0.469 175.796 176.300 -0.058 0.000 1.042 151 D CA -0.462 53.507 54.000 -0.052 0.000 0.847 151 D CB 2.725 43.505 40.800 -0.032 0.000 1.186 151 D HN 0.321 nan 8.370 nan 0.000 0.461 152 L N 2.134 123.310 121.223 -0.078 0.000 2.278 152 L HA 0.465 4.805 4.340 -0.000 0.000 0.287 152 L C 0.564 177.418 176.870 -0.026 0.000 1.072 152 L CA 0.143 54.940 54.840 -0.072 0.000 0.819 152 L CB 0.664 42.647 42.059 -0.125 0.000 1.176 152 L HN 0.461 nan 8.230 nan 0.000 0.435 153 G N 4.128 112.921 108.800 -0.011 0.000 2.568 153 G HA2 0.443 4.403 3.960 -0.000 0.000 0.293 153 G HA3 0.443 4.403 3.960 -0.000 0.000 0.293 153 G C -0.852 174.056 174.900 0.013 0.000 1.347 153 G CA -0.631 44.469 45.100 0.000 0.000 1.039 153 G HN 0.669 nan 8.290 nan 0.000 0.523 154 E N -0.105 120.103 120.200 0.013 0.000 2.283 154 E HA 0.210 4.560 4.350 -0.000 0.000 0.271 154 E C -0.157 176.453 176.600 0.017 0.000 1.031 154 E CA -0.784 55.627 56.400 0.019 0.000 0.868 154 E CB 1.106 30.814 29.700 0.015 0.000 1.094 154 E HN 0.623 nan 8.360 nan 0.000 0.401 155 N N 1.920 120.632 118.700 0.021 0.000 2.568 155 N HA -0.155 4.585 4.740 -0.000 0.000 0.277 155 N C -1.325 174.191 175.510 0.010 0.000 1.200 155 N CA 0.524 53.582 53.050 0.013 0.000 0.702 155 N CB -0.188 38.304 38.487 0.008 0.000 0.889 155 N HN 0.399 nan 8.380 nan 0.000 0.546 156 K N 0.760 121.170 120.400 0.016 0.000 2.426 156 K HA 0.428 4.748 4.320 -0.000 0.000 0.251 156 K C 0.314 176.914 176.600 0.001 0.000 0.941 156 K CA -0.417 55.877 56.287 0.012 0.000 0.808 156 K CB 1.806 34.324 32.500 0.029 0.000 1.265 156 K HN 0.357 nan 8.250 nan 0.000 0.432 157 G N 0.650 109.444 108.800 -0.010 0.000 2.442 157 G HA2 0.409 4.369 3.960 -0.000 0.000 0.249 157 G HA3 0.409 4.369 3.960 -0.000 0.000 0.249 157 G C -0.482 174.406 174.900 -0.021 0.000 1.263 157 G CA -0.300 44.781 45.100 -0.032 0.000 0.846 157 G HN 0.194 nan 8.290 nan 0.000 0.555 158 V N 2.777 122.667 119.914 -0.039 0.000 2.680 158 V HA 0.417 4.537 4.120 -0.000 0.000 0.309 158 V C -0.339 175.751 176.094 -0.008 0.000 1.052 158 V CA -1.173 61.118 62.300 -0.014 0.000 0.908 158 V CB 1.887 33.690 31.823 -0.033 0.000 1.001 158 V HN 0.744 nan 8.190 nan 0.000 0.431 159 N N 3.891 122.602 118.700 0.019 0.000 2.321 159 N HA 0.574 5.314 4.740 -0.000 0.000 0.299 159 N C -1.135 174.397 175.510 0.037 0.000 1.048 159 N CA -0.517 52.550 53.050 0.027 0.000 0.836 159 N CB 2.796 41.300 38.487 0.029 0.000 1.269 159 N HN 0.511 nan 8.380 nan 0.000 0.486 160 L N 2.550 123.798 121.223 0.043 0.000 2.599 160 L HA 0.349 4.689 4.340 -0.000 0.000 0.241 160 L C -2.321 174.567 176.870 0.030 0.000 1.207 160 L CA -1.738 53.111 54.840 0.015 0.000 0.987 160 L CB 0.467 42.519 42.059 -0.012 0.000 1.318 160 L HN 0.164 nan 8.230 nan 0.000 0.458 161 P HA -0.047 nan 4.420 nan 0.000 0.264 161 P C 1.216 178.527 177.300 0.018 0.000 1.179 161 P CA 1.148 64.266 63.100 0.031 0.000 0.763 161 P CB 0.849 32.564 31.700 0.024 0.000 0.806 162 G N 1.125 109.935 108.800 0.018 0.000 2.322 162 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 162 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 162 G C 0.162 175.065 174.900 0.005 0.000 0.992 162 G CA 0.379 45.484 45.100 0.009 0.000 0.624 162 G HN 0.572 nan 8.290 nan 0.000 0.543 163 V N 1.498 121.418 119.914 0.009 0.000 2.607 163 V HA 0.541 4.661 4.120 -0.000 0.000 0.289 163 V C 0.851 176.954 176.094 0.015 0.000 1.053 163 V CA 0.009 62.312 62.300 0.005 0.000 0.996 163 V CB 1.703 33.521 31.823 -0.008 0.000 0.995 163 V HN 0.321 nan 8.190 nan 0.000 0.476 164 S N 5.190 120.895 115.700 0.009 0.000 2.523 164 S HA 0.573 5.043 4.470 -0.000 0.000 0.275 164 S C -0.233 174.391 174.600 0.040 0.000 1.281 164 S CA -0.213 57.991 58.200 0.007 0.000 1.050 164 S CB 0.245 63.447 63.200 0.004 0.000 0.937 164 S HN 0.474 nan 8.310 nan 0.000 0.492 165 I N 1.720 122.324 120.570 0.056 0.000 2.603 165 I HA 0.435 4.605 4.170 -0.000 0.000 0.300 165 I C 0.633 176.810 176.117 0.101 0.000 1.017 165 I CA -0.792 60.560 61.300 0.088 0.000 1.098 165 I CB 1.784 39.819 38.000 0.057 0.000 1.279 165 I HN 0.691 nan 8.210 nan 0.000 0.437 166 A N 6.367 129.297 122.820 0.183 0.000 2.411 166 A HA 0.385 4.705 4.320 -0.000 0.000 0.251 166 A C 0.516 178.216 177.584 0.193 0.000 1.317 166 A CA -0.216 51.923 52.037 0.171 0.000 0.904 166 A CB -0.615 18.486 19.000 0.168 0.000 0.993 166 A HN 0.601 nan 8.150 nan 0.000 0.504 167 L N 1.553 122.844 121.223 0.113 0.000 2.506 167 L HA 0.152 4.492 4.340 -0.000 0.000 0.281 167 L C -1.671 175.259 176.870 0.100 0.000 1.228 167 L CA -1.278 53.613 54.840 0.085 0.000 0.850 167 L CB 0.293 42.347 42.059 -0.009 0.000 1.110 167 L HN 0.225 nan 8.230 nan 0.000 0.496 168 P HA 0.061 nan 4.420 nan 0.000 0.274 168 P C 0.046 177.382 177.300 0.060 0.000 1.237 168 P CA -0.402 62.736 63.100 0.063 0.000 0.793 168 P CB 0.910 32.639 31.700 0.049 0.000 0.977 169 A N 2.397 125.242 122.820 0.042 0.000 1.997 169 A HA -0.102 4.218 4.320 -0.000 0.000 0.221 169 A C 1.066 178.671 177.584 0.035 0.000 1.172 169 A CA 1.510 53.569 52.037 0.036 0.000 0.645 169 A CB -0.756 18.253 19.000 0.015 0.000 0.813 169 A HN 0.569 nan 8.150 nan 0.000 0.454 170 L N -2.917 118.314 121.223 0.012 0.000 2.506 170 L HA 0.603 4.943 4.340 -0.000 0.000 0.257 170 L C -0.239 176.618 176.870 -0.021 0.000 0.964 170 L CA -0.731 54.101 54.840 -0.013 0.000 0.836 170 L CB 2.095 44.118 42.059 -0.060 0.000 1.384 170 L HN 0.205 nan 8.230 nan 0.000 0.410 171 A N 1.274 124.080 122.820 -0.023 0.000 2.264 171 A HA 0.413 4.733 4.320 -0.000 0.000 0.304 171 A C 0.749 178.317 177.584 -0.027 0.000 1.100 171 A CA -0.323 51.704 52.037 -0.017 0.000 0.839 171 A CB 0.661 19.652 19.000 -0.015 0.000 1.121 171 A HN 0.823 nan 8.150 nan 0.000 0.496 172 E N 0.612 120.805 120.200 -0.012 0.000 2.051 172 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 172 E C 1.556 178.156 176.600 -0.001 0.000 0.991 172 E CA 1.239 57.633 56.400 -0.010 0.000 0.799 172 E CB -0.140 29.563 29.700 0.005 0.000 0.748 172 E HN 0.666 nan 8.360 nan 0.000 0.449 173 K N 0.865 121.271 120.400 0.010 0.000 2.147 173 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 173 K C 1.432 178.048 176.600 0.026 0.000 1.049 173 K CA 0.972 57.279 56.287 0.032 0.000 0.936 173 K CB -0.031 32.485 32.500 0.027 0.000 0.722 173 K HN -0.016 nan 8.250 nan 0.000 0.446 174 D N 0.870 121.266 120.400 -0.007 0.000 2.228 174 D HA -0.155 4.485 4.640 -0.000 0.000 0.203 174 D C 1.658 177.923 176.300 -0.058 0.000 0.988 174 D CA 1.237 55.218 54.000 -0.031 0.000 0.864 174 D CB 0.120 40.897 40.800 -0.038 0.000 0.928 174 D HN 0.263 nan 8.370 nan 0.000 0.469 175 K N -0.079 120.271 120.400 -0.082 0.000 2.076 175 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 175 K C 2.211 178.831 176.600 0.033 0.000 1.051 175 K CA 0.578 56.776 56.287 -0.148 0.000 0.949 175 K CB 0.049 32.398 32.500 -0.252 0.000 0.726 175 K HN 0.134 nan 8.250 nan 0.000 0.443 176 Q N 0.733 120.560 119.800 0.045 0.000 2.167 176 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 176 Q C 1.246 177.283 176.000 0.062 0.000 0.970 176 Q CA 1.150 57.001 55.803 0.079 0.000 0.855 176 Q CB 0.065 28.902 28.738 0.164 0.000 0.911 176 Q HN 0.243 nan 8.270 nan 0.000 0.438 177 D N 0.632 121.066 120.400 0.057 0.000 2.178 177 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 177 D C 1.746 177.949 176.300 -0.162 0.000 0.974 177 D CA 0.878 54.825 54.000 -0.087 0.000 0.841 177 D CB 0.058 40.719 40.800 -0.231 0.000 0.953 177 D HN 0.246 nan 8.370 nan 0.000 0.478 178 L N 0.272 121.459 121.223 -0.060 0.000 2.313 178 L HA 0.012 4.352 4.340 -0.000 0.000 0.214 178 L C 2.304 179.112 176.870 -0.103 0.000 1.119 178 L CA 0.330 55.144 54.840 -0.043 0.000 0.809 178 L CB -0.136 41.983 42.059 0.101 0.000 0.933 178 L HN 0.004 nan 8.230 nan 0.000 0.449 179 I N -0.607 119.880 120.570 -0.137 0.000 2.252 179 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 179 I C 2.476 178.497 176.117 -0.160 0.000 1.102 179 I CA 1.355 62.491 61.300 -0.273 0.000 1.385 179 I CB -0.264 37.541 38.000 -0.326 0.000 1.064 179 I HN 0.156 nan 8.210 nan 0.000 0.414 180 F N 1.869 121.629 119.950 -0.317 0.000 2.171 180 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 180 F C 2.274 177.956 175.800 -0.195 0.000 1.090 180 F CA 1.536 59.337 58.000 -0.332 0.000 1.293 180 F CB -0.683 38.002 39.000 -0.525 0.000 1.013 180 F HN -0.022 nan 8.300 nan 0.000 0.486 181 G N -0.052 108.711 108.800 -0.061 0.000 2.446 181 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 181 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 181 G C 1.669 176.463 174.900 -0.177 0.000 1.168 181 G CA 1.213 46.238 45.100 -0.125 0.000 0.771 181 G HN 0.530 nan 8.290 nan 0.000 0.551 182 C N 0.664 119.875 119.300 -0.149 0.000 2.429 182 C HA 0.019 4.479 4.460 -0.000 0.000 0.277 182 C C 2.800 177.697 174.990 -0.154 0.000 1.262 182 C CA 1.066 60.009 59.018 -0.125 0.000 1.733 182 C CB -0.976 26.710 27.740 -0.090 0.000 2.010 182 C HN 0.608 nan 8.230 nan 0.000 0.483 183 E N 0.444 120.523 120.200 -0.202 0.000 2.110 183 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 183 E C 2.119 178.571 176.600 -0.246 0.000 0.988 183 E CA 0.932 57.211 56.400 -0.202 0.000 0.804 183 E CB -0.206 29.369 29.700 -0.209 0.000 0.745 183 E HN 0.639 nan 8.360 nan 0.000 0.458 184 Q N -0.452 119.124 119.800 -0.374 0.000 2.451 184 Q HA 0.048 4.388 4.340 -0.000 0.000 0.206 184 Q C 0.912 176.798 176.000 -0.190 0.000 0.947 184 Q CA 0.777 56.378 55.803 -0.337 0.000 0.937 184 Q CB 0.823 29.242 28.738 -0.533 0.000 1.025 184 Q HN 0.398 nan 8.270 nan 0.000 0.511 185 G N 1.930 110.635 108.800 -0.158 0.000 2.298 185 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.287 185 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.287 185 G C 0.422 175.271 174.900 -0.085 0.000 1.075 185 G CA 0.344 45.383 45.100 -0.100 0.000 0.960 185 G HN 0.312 nan 8.290 nan 0.000 0.502 186 V N -3.011 116.853 119.914 -0.084 0.000 3.139 186 V HA 0.378 4.498 4.120 -0.000 0.000 0.307 186 V C 1.186 177.241 176.094 -0.065 0.000 1.095 186 V CA 0.657 62.933 62.300 -0.041 0.000 1.160 186 V CB 0.959 32.783 31.823 0.002 0.000 1.003 186 V HN 0.186 nan 8.190 nan 0.000 0.489 187 D N 0.442 120.791 120.400 -0.084 0.000 2.277 187 D HA 0.196 4.836 4.640 -0.000 0.000 0.209 187 D C 0.042 176.043 176.300 -0.498 0.000 0.970 187 D CA 1.304 55.137 54.000 -0.279 0.000 0.874 187 D CB 0.281 40.920 40.800 -0.268 0.000 0.982 187 D HN 0.552 nan 8.370 nan 0.000 0.504 188 F N -0.141 119.819 119.950 0.016 0.000 2.588 188 F HA 0.392 4.919 4.527 -0.000 0.000 0.314 188 F C -0.214 175.611 175.800 0.043 0.000 1.069 188 F CA -1.064 56.967 58.000 0.051 0.000 0.931 188 F CB 2.140 41.178 39.000 0.064 0.000 1.260 188 F HN -0.456 nan 8.300 nan 0.000 0.465 189 V N 2.169 122.230 119.914 0.246 0.000 2.409 189 V HA 0.709 4.829 4.120 -0.000 0.000 0.291 189 V C -0.445 175.730 176.094 0.135 0.000 1.020 189 V CA -0.881 61.504 62.300 0.142 0.000 0.848 189 V CB 1.430 33.306 31.823 0.089 0.000 0.990 189 V HN 0.861 nan 8.190 nan 0.000 0.430 190 A N 4.538 127.418 122.820 0.101 0.000 2.252 190 A HA 0.810 5.130 4.320 -0.000 0.000 0.309 190 A C 0.378 178.001 177.584 0.065 0.000 1.285 190 A CA -0.191 51.892 52.037 0.075 0.000 0.900 190 A CB 0.552 19.585 19.000 0.056 0.000 1.157 190 A HN 1.210 nan 8.150 nan 0.000 0.536 191 A N 3.229 126.086 122.820 0.062 0.000 2.276 191 A HA 0.605 4.925 4.320 -0.000 0.000 0.300 191 A C 0.641 178.266 177.584 0.067 0.000 1.235 191 A CA -0.294 51.777 52.037 0.056 0.000 0.867 191 A CB 0.085 19.114 19.000 0.049 0.000 1.137 191 A HN 0.801 nan 8.150 nan 0.000 0.527 192 S N 1.061 116.808 115.700 0.078 0.000 2.603 192 S HA 0.427 4.897 4.470 -0.000 0.000 0.268 192 S C 0.099 174.814 174.600 0.193 0.000 1.317 192 S CA -0.035 58.235 58.200 0.116 0.000 1.012 192 S CB -0.071 63.187 63.200 0.097 0.000 0.926 192 S HN 1.179 nan 8.310 nan 0.000 0.539 193 F N 0.727 120.678 119.950 0.002 0.000 3.027 193 F HA -0.153 4.373 4.527 0.000 0.000 0.276 193 F C -0.553 175.246 175.800 -0.002 0.000 0.967 193 F CA -0.204 57.793 58.000 -0.005 0.000 0.929 193 F CB -1.161 37.826 39.000 -0.022 0.000 0.873 193 F HN 0.346 nan 8.300 nan 0.000 0.787 194 I N 1.634 122.164 120.570 -0.067 0.000 2.416 194 I HA 0.141 4.311 4.170 -0.000 0.000 0.288 194 I C 1.346 177.344 176.117 -0.198 0.000 1.051 194 I CA 0.238 61.481 61.300 -0.094 0.000 1.375 194 I CB 1.361 39.343 38.000 -0.030 0.000 1.407 194 I HN 0.322 nan 8.210 nan 0.000 0.516 195 R N 4.287 124.670 120.500 -0.196 0.000 2.435 195 R HA 0.197 4.537 4.340 -0.000 0.000 0.221 195 R C -0.398 175.834 176.300 -0.113 0.000 0.885 195 R CA 0.159 56.131 56.100 -0.213 0.000 1.018 195 R CB 0.748 30.878 30.300 -0.282 0.000 1.259 195 R HN 0.635 nan 8.270 nan 0.000 0.597 196 K N -0.751 119.597 120.400 -0.087 0.000 2.597 196 K HA 0.195 4.515 4.320 -0.000 0.000 0.282 196 K C -0.196 176.372 176.600 -0.053 0.000 0.975 196 K CA -0.896 55.354 56.287 -0.061 0.000 0.867 196 K CB 1.371 33.841 32.500 -0.050 0.000 1.465 196 K HN -0.141 nan 8.250 nan 0.000 0.417 197 R N 0.615 121.084 120.500 -0.052 0.000 2.105 197 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 197 R C 1.595 177.875 176.300 -0.033 0.000 1.135 197 R CA 2.605 58.675 56.100 -0.050 0.000 0.967 197 R CB -0.538 29.730 30.300 -0.053 0.000 0.861 197 R HN 0.749 nan 8.270 nan 0.000 0.442 198 S N 0.838 116.522 115.700 -0.026 0.000 2.387 198 S HA -0.213 4.257 4.470 -0.000 0.000 0.230 198 S C 1.351 175.946 174.600 -0.009 0.000 1.035 198 S CA 1.572 59.763 58.200 -0.014 0.000 1.014 198 S CB -0.386 62.809 63.200 -0.009 0.000 0.836 198 S HN 0.439 nan 8.310 nan 0.000 0.466 199 D N 1.505 121.896 120.400 -0.014 0.000 2.104 199 D HA -0.076 4.564 4.640 -0.000 0.000 0.194 199 D C 2.227 178.525 176.300 -0.003 0.000 0.994 199 D CA 1.539 55.535 54.000 -0.007 0.000 0.830 199 D CB -0.804 39.984 40.800 -0.020 0.000 0.959 199 D HN 0.400 nan 8.370 nan 0.000 0.452 200 V N 1.933 121.840 119.914 -0.013 0.000 2.332 200 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 200 V C 2.569 178.666 176.094 0.005 0.000 1.055 200 V CA 1.083 63.379 62.300 -0.007 0.000 1.038 200 V CB -0.412 31.396 31.823 -0.026 0.000 0.651 200 V HN 0.223 nan 8.190 nan 0.000 0.450 201 I N -0.008 120.562 120.570 -0.000 0.000 2.264 201 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 201 I C 2.561 178.694 176.117 0.026 0.000 1.111 201 I CA 1.694 63.000 61.300 0.009 0.000 1.382 201 I CB -0.921 37.079 38.000 0.001 0.000 1.060 201 I HN 0.493 nan 8.210 nan 0.000 0.418 202 E N 1.119 121.334 120.200 0.026 0.000 2.058 202 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 202 E C 2.337 178.980 176.600 0.072 0.000 0.997 202 E CA 1.304 57.728 56.400 0.040 0.000 0.801 202 E CB -0.086 29.628 29.700 0.023 0.000 0.746 202 E HN 0.506 nan 8.360 nan 0.000 0.450 203 I N 0.464 121.069 120.570 0.059 0.000 2.315 203 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 203 I C 2.676 178.855 176.117 0.102 0.000 1.117 203 I CA 0.879 62.230 61.300 0.085 0.000 1.404 203 I CB -0.218 37.817 38.000 0.057 0.000 1.071 203 I HN 0.007 nan 8.210 nan 0.000 0.419 204 R N 1.136 121.675 120.500 0.065 0.000 2.115 204 R HA -0.140 4.200 4.340 -0.000 0.000 0.230 204 R C 2.075 178.411 176.300 0.061 0.000 1.111 204 R CA 1.213 57.345 56.100 0.054 0.000 0.976 204 R CB 0.031 30.348 30.300 0.028 0.000 0.870 204 R HN 0.377 nan 8.270 nan 0.000 0.445 205 E N -1.468 118.778 120.200 0.076 0.000 2.107 205 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 205 E C 1.593 178.258 176.600 0.108 0.000 0.982 205 E CA 1.112 57.556 56.400 0.073 0.000 0.809 205 E CB -0.069 29.672 29.700 0.067 0.000 0.756 205 E HN 0.467 nan 8.360 nan 0.000 0.459 206 H N 0.889 119.994 119.070 0.058 0.000 2.357 206 H HA -0.008 4.548 4.556 -0.000 0.000 0.301 206 H C 1.940 177.360 175.328 0.152 0.000 1.082 206 H CA 1.230 57.345 56.048 0.111 0.000 1.342 206 H CB -0.055 29.747 29.762 0.066 0.000 1.389 206 H HN 0.024 nan 8.280 nan 0.000 0.511 207 L N 0.032 121.266 121.223 0.019 0.000 2.093 207 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 207 L C 2.583 179.441 176.870 -0.020 0.000 1.085 207 L CA 1.679 56.506 54.840 -0.022 0.000 0.755 207 L CB -0.338 41.732 42.059 0.018 0.000 0.904 207 L HN 0.249 nan 8.230 nan 0.000 0.435 208 K N 0.558 120.953 120.400 -0.009 0.000 2.097 208 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 208 K C 2.079 178.640 176.600 -0.065 0.000 1.050 208 K CA 1.106 57.377 56.287 -0.026 0.000 0.938 208 K CB -0.065 32.427 32.500 -0.013 0.000 0.718 208 K HN 0.226 nan 8.250 nan 0.000 0.442 209 A N 0.078 122.847 122.820 -0.085 0.000 2.070 209 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 209 A C 0.566 177.889 177.584 -0.436 0.000 1.159 209 A CA 1.407 53.307 52.037 -0.229 0.000 0.656 209 A CB -0.492 18.375 19.000 -0.222 0.000 0.800 209 A HN 0.504 nan 8.150 nan 0.000 0.453 210 H N -2.339 116.628 119.070 -0.171 0.000 2.562 210 H HA 0.421 4.977 4.556 -0.000 0.000 0.249 210 H C 1.141 176.400 175.328 -0.115 0.000 1.195 210 H CA 0.178 56.137 56.048 -0.149 0.000 0.938 210 H CB 0.276 29.915 29.762 -0.205 0.000 1.891 210 H HN 0.461 nan 8.280 nan 0.000 0.595 211 G N 0.247 109.031 108.800 -0.025 0.000 2.148 211 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 211 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 211 G C 1.240 176.121 174.900 -0.032 0.000 0.981 211 G CA 0.323 45.403 45.100 -0.034 0.000 0.670 211 G HN 0.643 nan 8.290 nan 0.000 0.528 212 G N 0.210 108.995 108.800 -0.024 0.000 3.314 212 G HA2 0.428 4.388 3.960 -0.000 0.000 0.238 212 G HA3 0.428 4.388 3.960 -0.000 0.000 0.238 212 G C 1.021 175.908 174.900 -0.022 0.000 1.184 212 G CA 0.806 45.888 45.100 -0.031 0.000 0.806 212 G HN 0.737 nan 8.290 nan 0.000 0.536 213 E N 0.301 120.489 120.200 -0.020 0.000 2.333 213 E HA -0.195 4.155 4.350 -0.000 0.000 0.200 213 E C 1.283 177.882 176.600 -0.002 0.000 1.010 213 E CA 1.175 57.569 56.400 -0.010 0.000 0.841 213 E CB -0.209 29.481 29.700 -0.017 0.000 0.757 213 E HN 0.478 nan 8.360 nan 0.000 0.508 214 N N 0.082 118.769 118.700 -0.022 0.000 2.236 214 N HA 0.200 4.940 4.740 -0.000 0.000 0.196 214 N C -0.475 174.996 175.510 -0.066 0.000 1.114 214 N CA -0.204 52.826 53.050 -0.034 0.000 0.859 214 N CB 0.527 38.970 38.487 -0.073 0.000 0.982 214 N HN 0.082 nan 8.380 nan 0.000 0.493 215 I N 1.508 122.057 120.570 -0.036 0.000 2.416 215 I HA 0.069 4.239 4.170 -0.000 0.000 0.288 215 I C 0.066 176.233 176.117 0.084 0.000 1.051 215 I CA -0.517 60.751 61.300 -0.054 0.000 1.375 215 I CB 0.389 38.370 38.000 -0.031 0.000 1.407 215 I HN 0.101 nan 8.210 nan 0.000 0.516 216 H N 6.300 125.309 119.070 -0.101 0.000 2.764 216 H HA 0.387 4.943 4.556 -0.000 0.000 0.341 216 H C -0.205 175.217 175.328 0.156 0.000 1.072 216 H CA -0.180 55.889 56.048 0.034 0.000 1.444 216 H CB 0.693 30.520 29.762 0.107 0.000 1.458 216 H HN 0.383 nan 8.280 nan 0.000 0.572 217 I N 4.588 125.285 120.570 0.211 0.000 2.339 217 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 217 I C -0.207 175.987 176.117 0.128 0.000 0.994 217 I CA -0.518 60.873 61.300 0.153 0.000 1.191 217 I CB 1.141 39.188 38.000 0.079 0.000 1.343 217 I HN 0.273 nan 8.210 nan 0.000 0.458 218 I N 5.217 125.867 120.570 0.133 0.000 2.306 218 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 218 I C 0.262 176.412 176.117 0.055 0.000 1.036 218 I CA -0.216 61.129 61.300 0.076 0.000 1.221 218 I CB 0.534 38.557 38.000 0.039 0.000 1.385 218 I HN 0.462 nan 8.210 nan 0.000 0.472 219 S N 6.750 122.474 115.700 0.040 0.000 2.548 219 S HA 0.271 4.741 4.470 -0.000 0.000 0.277 219 S C 0.323 174.957 174.600 0.058 0.000 1.315 219 S CA -0.685 57.538 58.200 0.039 0.000 1.050 219 S CB 0.791 63.998 63.200 0.012 0.000 0.918 219 S HN 0.379 nan 8.310 nan 0.000 0.497 220 K N 2.876 123.312 120.400 0.059 0.000 2.262 220 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 220 K C -0.671 175.969 176.600 0.067 0.000 1.066 220 K CA -0.458 55.870 56.287 0.068 0.000 0.901 220 K CB 0.637 33.182 32.500 0.074 0.000 1.089 220 K HN 0.438 nan 8.250 nan 0.000 0.476 221 I N 2.969 123.584 120.570 0.075 0.000 2.304 221 I HA 0.131 4.301 4.170 -0.000 0.000 0.291 221 I C 0.686 176.832 176.117 0.049 0.000 1.018 221 I CA 0.130 61.468 61.300 0.062 0.000 1.260 221 I CB 0.914 38.976 38.000 0.103 0.000 1.390 221 I HN 0.764 nan 8.210 nan 0.000 0.475 222 E N 3.923 124.148 120.200 0.043 0.000 2.606 222 E HA 0.074 4.424 4.350 -0.000 0.000 0.224 222 E C -0.208 176.446 176.600 0.090 0.000 0.930 222 E CA -0.078 56.380 56.400 0.097 0.000 1.125 222 E CB 0.785 30.617 29.700 0.219 0.000 1.123 222 E HN 0.781 nan 8.360 nan 0.000 0.522 223 N N -0.593 118.115 118.700 0.014 0.000 2.927 223 N HA -0.035 4.705 4.740 -0.000 0.000 0.248 223 N C 0.354 175.848 175.510 -0.027 0.000 1.443 223 N CA -0.376 52.679 53.050 0.009 0.000 0.870 223 N CB 1.219 39.727 38.487 0.034 0.000 1.444 223 N HN -0.251 nan 8.380 nan 0.000 0.519 224 Q N 0.532 120.326 119.800 -0.010 0.000 2.112 224 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 224 Q C 1.430 177.415 176.000 -0.026 0.000 0.987 224 Q CA 2.352 58.149 55.803 -0.010 0.000 0.858 224 Q CB -0.179 28.559 28.738 0.000 0.000 0.905 224 Q HN 0.783 nan 8.270 nan 0.000 0.420 225 E N -1.457 118.707 120.200 -0.060 0.000 2.072 225 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 225 E C 1.802 178.365 176.600 -0.063 0.000 0.985 225 E CA 0.923 57.283 56.400 -0.067 0.000 0.801 225 E CB -0.520 29.113 29.700 -0.111 0.000 0.750 225 E HN 0.528 nan 8.360 nan 0.000 0.452 226 G N 1.771 110.509 108.800 -0.102 0.000 2.586 226 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 226 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 226 G C 1.463 176.390 174.900 0.044 0.000 1.216 226 G CA 1.112 46.177 45.100 -0.059 0.000 0.786 226 G HN 0.288 nan 8.290 nan 0.000 0.583 227 L N 1.372 122.616 121.223 0.035 0.000 2.013 227 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 227 L C 2.480 179.406 176.870 0.093 0.000 1.073 227 L CA 2.056 56.933 54.840 0.063 0.000 0.753 227 L CB -0.962 41.103 42.059 0.010 0.000 0.890 227 L HN 0.161 nan 8.230 nan 0.000 0.432 228 N N 0.053 118.781 118.700 0.047 0.000 2.104 228 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 228 N C 1.284 176.828 175.510 0.057 0.000 1.024 228 N CA 1.410 54.486 53.050 0.043 0.000 0.853 228 N CB -0.523 37.972 38.487 0.014 0.000 1.008 228 N HN 0.425 nan 8.380 nan 0.000 0.424 229 N N 0.250 118.977 118.700 0.044 0.000 2.383 229 N HA -0.002 4.738 4.740 -0.000 0.000 0.192 229 N C 1.117 176.635 175.510 0.014 0.000 1.141 229 N CA -0.228 52.831 53.050 0.015 0.000 0.851 229 N CB -0.296 38.177 38.487 -0.023 0.000 0.976 229 N HN 0.139 nan 8.380 nan 0.000 0.465 230 F N 2.590 122.523 119.950 -0.028 0.000 2.050 230 F HA -0.360 4.167 4.527 -0.000 0.000 0.294 230 F C 1.647 177.435 175.800 -0.018 0.000 1.113 230 F CA 1.998 59.985 58.000 -0.022 0.000 1.225 230 F CB -0.255 38.737 39.000 -0.013 0.000 0.953 230 F HN 0.025 nan 8.300 nan 0.000 0.501 231 D N -0.137 120.151 120.400 -0.186 0.000 2.087 231 D HA -0.229 4.411 4.640 -0.000 0.000 0.192 231 D C 2.231 178.397 176.300 -0.225 0.000 0.993 231 D CA 1.929 55.807 54.000 -0.204 0.000 0.828 231 D CB -0.833 39.951 40.800 -0.026 0.000 0.968 231 D HN 0.716 nan 8.370 nan 0.000 0.448 232 E N 0.505 120.620 120.200 -0.141 0.000 2.204 232 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 232 E C 2.149 178.646 176.600 -0.171 0.000 0.990 232 E CA 0.668 56.994 56.400 -0.124 0.000 0.821 232 E CB -0.400 29.256 29.700 -0.074 0.000 0.750 232 E HN 0.277 nan 8.360 nan 0.000 0.477 233 I N 0.766 121.197 120.570 -0.232 0.000 2.252 233 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 233 I C 2.453 178.408 176.117 -0.270 0.000 1.102 233 I CA 0.655 61.822 61.300 -0.221 0.000 1.385 233 I CB -0.209 37.678 38.000 -0.189 0.000 1.064 233 I HN 0.181 nan 8.210 nan 0.000 0.414 234 L N 0.814 121.753 121.223 -0.474 0.000 2.042 234 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 234 L C 2.465 179.198 176.870 -0.228 0.000 1.076 234 L CA 1.973 56.551 54.840 -0.438 0.000 0.749 234 L CB -0.876 40.811 42.059 -0.620 0.000 0.893 234 L HN 0.285 nan 8.230 nan 0.000 0.432 235 E N -0.125 119.954 120.200 -0.202 0.000 2.110 235 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 235 E C 1.878 178.416 176.600 -0.104 0.000 0.988 235 E CA 1.367 57.690 56.400 -0.128 0.000 0.804 235 E CB -0.003 29.635 29.700 -0.103 0.000 0.745 235 E HN 0.609 nan 8.360 nan 0.000 0.458 236 A N 0.396 123.149 122.820 -0.111 0.000 2.081 236 A HA 0.122 4.442 4.320 -0.000 0.000 0.214 236 A C 1.464 179.004 177.584 -0.074 0.000 1.158 236 A CA 0.236 52.226 52.037 -0.078 0.000 0.724 236 A CB 0.102 19.064 19.000 -0.065 0.000 0.826 236 A HN 0.179 nan 8.150 nan 0.000 0.463 237 S N 0.372 116.019 115.700 -0.088 0.000 2.669 237 S HA 0.249 4.719 4.470 -0.000 0.000 0.270 237 S C -0.049 174.500 174.600 -0.084 0.000 1.225 237 S CA -0.428 57.732 58.200 -0.066 0.000 0.991 237 S CB 0.707 63.870 63.200 -0.061 0.000 0.987 237 S HN 0.413 nan 8.310 nan 0.000 0.552 238 D N 0.394 120.742 120.400 -0.086 0.000 2.349 238 D HA 0.312 4.952 4.640 -0.000 0.000 0.214 238 D C 0.689 176.951 176.300 -0.064 0.000 1.063 238 D CA 0.277 54.174 54.000 -0.172 0.000 0.847 238 D CB 0.561 41.111 40.800 -0.416 0.000 0.933 238 D HN 0.647 nan 8.370 nan 0.000 0.513 239 G N 0.233 109.022 108.800 -0.018 0.000 2.320 239 G HA2 0.345 4.305 3.960 -0.000 0.000 0.296 239 G HA3 0.345 4.305 3.960 -0.000 0.000 0.296 239 G C -1.851 173.068 174.900 0.031 0.000 1.306 239 G CA -0.685 44.422 45.100 0.013 0.000 0.836 239 G HN -0.046 nan 8.290 nan 0.000 0.517 240 I N 0.108 120.710 120.570 0.053 0.000 2.969 240 I HA 0.585 4.755 4.170 -0.000 0.000 0.307 240 I C -0.588 175.562 176.117 0.055 0.000 1.149 240 I CA -0.785 60.566 61.300 0.086 0.000 1.008 240 I CB 2.224 40.344 38.000 0.199 0.000 1.232 240 I HN 0.637 nan 8.210 nan 0.000 0.435 241 M N 4.788 124.423 119.600 0.058 0.000 2.093 241 M HA 0.404 4.884 4.480 -0.000 0.000 0.297 241 M C -1.486 174.841 176.300 0.045 0.000 0.938 241 M CA -0.688 54.632 55.300 0.035 0.000 0.920 241 M CB 1.365 33.981 32.600 0.027 0.000 1.517 241 M HN 0.261 nan 8.290 nan 0.000 0.427 242 V N 4.487 124.417 119.914 0.028 0.000 2.405 242 V HA 0.338 4.458 4.120 -0.000 0.000 0.264 242 V C 0.589 176.690 176.094 0.012 0.000 1.048 242 V CA -0.417 61.889 62.300 0.011 0.000 0.966 242 V CB 0.449 32.264 31.823 -0.012 0.000 1.015 242 V HN 0.867 nan 8.190 nan 0.000 0.477 243 A N 5.418 128.250 122.820 0.021 0.000 3.016 243 A HA 0.434 4.754 4.320 -0.000 0.000 0.303 243 A C 1.408 179.001 177.584 0.016 0.000 1.507 243 A CA -0.573 51.479 52.037 0.025 0.000 1.196 243 A CB -0.241 18.786 19.000 0.045 0.000 1.169 243 A HN 0.908 nan 8.150 nan 0.000 0.544 244 R N 1.234 121.736 120.500 0.002 0.000 2.136 244 R HA -0.226 4.114 4.340 -0.000 0.000 0.242 244 R C 2.307 178.608 176.300 0.001 0.000 1.131 244 R CA 2.263 58.359 56.100 -0.007 0.000 0.937 244 R CB -0.647 29.642 30.300 -0.018 0.000 0.863 244 R HN 0.645 nan 8.270 nan 0.000 0.435 245 G N 1.031 109.835 108.800 0.007 0.000 2.514 245 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.217 245 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.217 245 G C 0.743 175.654 174.900 0.019 0.000 1.198 245 G CA 1.608 46.714 45.100 0.011 0.000 0.780 245 G HN 0.353 nan 8.290 nan 0.000 0.565 246 D N 0.316 120.734 120.400 0.031 0.000 2.133 246 D HA -0.105 4.535 4.640 -0.000 0.000 0.195 246 D C 2.467 178.794 176.300 0.046 0.000 0.997 246 D CA 0.639 54.668 54.000 0.048 0.000 0.840 246 D CB -0.222 40.623 40.800 0.075 0.000 0.947 246 D HN 0.297 nan 8.370 nan 0.000 0.452 247 L N 0.381 121.623 121.223 0.032 0.000 2.079 247 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 247 L C 2.484 179.364 176.870 0.017 0.000 1.081 247 L CA 1.314 56.167 54.840 0.022 0.000 0.752 247 L CB -0.562 41.500 42.059 0.004 0.000 0.896 247 L HN 0.180 nan 8.230 nan 0.000 0.433 248 G N -1.509 107.298 108.800 0.011 0.000 2.559 248 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.216 248 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.216 248 G C 1.380 176.288 174.900 0.013 0.000 1.126 248 G CA 0.572 45.676 45.100 0.006 0.000 0.778 248 G HN 0.254 nan 8.290 nan 0.000 0.543 249 V N -0.602 119.325 119.914 0.021 0.000 3.379 249 V HA 0.120 4.240 4.120 -0.000 0.000 0.249 249 V C 2.126 178.239 176.094 0.031 0.000 1.184 249 V CA 0.640 62.955 62.300 0.024 0.000 1.106 249 V CB 0.592 32.431 31.823 0.027 0.000 0.826 249 V HN 0.235 nan 8.190 nan 0.000 0.465 250 E N 0.456 120.678 120.200 0.037 0.000 2.364 250 E HA 0.254 4.604 4.350 -0.000 0.000 0.196 250 E C 0.538 177.155 176.600 0.029 0.000 0.990 250 E CA 0.407 56.832 56.400 0.042 0.000 0.886 250 E CB 1.001 30.738 29.700 0.061 0.000 0.866 250 E HN 0.679 nan 8.360 nan 0.000 0.493 251 I N -2.239 118.345 120.570 0.023 0.000 2.969 251 I HA 0.494 4.664 4.170 -0.000 0.000 0.307 251 I C -2.822 173.305 176.117 0.017 0.000 1.149 251 I CA -2.917 58.395 61.300 0.019 0.000 1.008 251 I CB 2.170 40.180 38.000 0.017 0.000 1.232 251 I HN -0.357 nan 8.210 nan 0.000 0.435 252 P HA -0.025 nan 4.420 nan 0.000 0.261 252 P C 1.145 178.455 177.300 0.017 0.000 1.173 252 P CA -0.178 62.934 63.100 0.020 0.000 0.760 252 P CB 0.585 32.301 31.700 0.026 0.000 0.783 253 V N 2.969 122.889 119.914 0.010 0.000 2.407 253 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 253 V C 1.985 178.076 176.094 -0.005 0.000 1.055 253 V CA 2.026 64.325 62.300 -0.002 0.000 1.049 253 V CB -1.395 30.425 31.823 -0.006 0.000 0.662 253 V HN 0.621 nan 8.190 nan 0.000 0.455 254 E N 0.614 120.823 120.200 0.015 0.000 2.409 254 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 254 E C 1.629 178.268 176.600 0.065 0.000 1.024 254 E CA 1.225 57.641 56.400 0.027 0.000 0.861 254 E CB -0.248 29.485 29.700 0.056 0.000 0.788 254 E HN 0.678 nan 8.360 nan 0.000 0.521 255 E N 0.889 121.129 120.200 0.067 0.000 2.318 255 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 255 E C 2.293 178.924 176.600 0.052 0.000 0.998 255 E CA 0.424 56.893 56.400 0.115 0.000 0.859 255 E CB 0.156 29.903 29.700 0.077 0.000 0.812 255 E HN 0.154 nan 8.360 nan 0.000 0.492 256 V N 2.328 122.238 119.914 -0.008 0.000 2.380 256 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 256 V C 2.408 178.447 176.094 -0.093 0.000 1.063 256 V CA 1.925 64.202 62.300 -0.039 0.000 1.055 256 V CB -0.821 30.978 31.823 -0.041 0.000 0.657 256 V HN 0.323 nan 8.190 nan 0.000 0.455 257 I N -3.961 116.487 120.570 -0.203 0.000 2.716 257 I HA -0.018 4.152 4.170 -0.000 0.000 0.259 257 I C 2.222 178.185 176.117 -0.257 0.000 1.172 257 I CA 1.262 62.397 61.300 -0.275 0.000 1.478 257 I CB -0.585 37.166 38.000 -0.416 0.000 1.104 257 I HN 0.091 nan 8.210 nan 0.000 0.439 258 F N 2.250 122.175 119.950 -0.042 0.000 2.259 258 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 258 F C 2.747 178.503 175.800 -0.073 0.000 1.088 258 F CA 0.743 58.714 58.000 -0.049 0.000 1.358 258 F CB -0.855 38.121 39.000 -0.040 0.000 1.040 258 F HN 0.072 nan 8.300 nan 0.000 0.505 259 A N -0.351 122.502 122.820 0.056 0.000 1.877 259 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 259 A C 2.245 179.771 177.584 -0.096 0.000 1.186 259 A CA 1.833 53.848 52.037 -0.037 0.000 0.620 259 A CB -0.995 17.978 19.000 -0.045 0.000 0.822 259 A HN 0.429 nan 8.150 nan 0.000 0.443 260 Q N -0.192 119.562 119.800 -0.076 0.000 2.061 260 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 260 Q C 2.031 177.992 176.000 -0.065 0.000 0.984 260 Q CA 2.058 57.813 55.803 -0.080 0.000 0.846 260 Q CB -0.153 28.543 28.738 -0.070 0.000 0.902 260 Q HN 0.700 nan 8.270 nan 0.000 0.421 261 K N 0.071 120.453 120.400 -0.030 0.000 1.991 261 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 261 K C 2.246 178.842 176.600 -0.007 0.000 1.049 261 K CA 1.676 57.967 56.287 0.007 0.000 0.932 261 K CB -0.331 32.214 32.500 0.075 0.000 0.717 261 K HN 0.315 nan 8.250 nan 0.000 0.441 262 M N 0.732 120.322 119.600 -0.017 0.000 2.082 262 M HA -0.235 4.245 4.480 -0.000 0.000 0.258 262 M C 2.106 178.327 176.300 -0.133 0.000 1.069 262 M CA 1.865 57.130 55.300 -0.059 0.000 1.102 262 M CB -0.216 32.330 32.600 -0.089 0.000 1.336 262 M HN 0.238 nan 8.290 nan 0.000 0.404 263 M N -0.506 118.927 119.600 -0.278 0.000 2.175 263 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 263 M C 2.065 178.316 176.300 -0.082 0.000 1.063 263 M CA 1.339 56.382 55.300 -0.429 0.000 1.119 263 M CB -0.396 31.735 32.600 -0.782 0.000 1.377 263 M HN 0.263 nan 8.290 nan 0.000 0.415 264 I N 0.239 120.785 120.570 -0.040 0.000 2.226 264 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 264 I C 2.731 178.887 176.117 0.065 0.000 1.100 264 I CA 1.448 62.766 61.300 0.031 0.000 1.374 264 I CB -0.485 37.535 38.000 0.033 0.000 1.057 264 I HN 0.409 nan 8.210 nan 0.000 0.413 265 E N 2.130 122.361 120.200 0.052 0.000 2.031 265 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 265 E C 1.989 178.640 176.600 0.084 0.000 0.994 265 E CA 1.580 58.022 56.400 0.070 0.000 0.800 265 E CB -0.111 29.621 29.700 0.053 0.000 0.752 265 E HN 0.503 nan 8.360 nan 0.000 0.447 266 K N 0.161 120.624 120.400 0.105 0.000 2.147 266 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 266 K C 2.508 179.197 176.600 0.148 0.000 1.049 266 K CA 1.335 57.714 56.287 0.154 0.000 0.936 266 K CB -0.329 32.328 32.500 0.262 0.000 0.722 266 K HN 0.195 nan 8.250 nan 0.000 0.446 267 C N 1.278 120.676 119.300 0.163 0.000 2.432 267 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 267 C C 2.585 177.603 174.990 0.046 0.000 1.249 267 C CA 0.485 59.568 59.018 0.108 0.000 1.725 267 C CB -0.719 27.086 27.740 0.108 0.000 2.028 267 C HN 0.390 nan 8.230 nan 0.000 0.477 268 I N 0.520 121.117 120.570 0.045 0.000 2.226 268 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 268 I C 2.713 178.808 176.117 -0.037 0.000 1.100 268 I CA 1.583 62.877 61.300 -0.008 0.000 1.374 268 I CB -0.443 37.581 38.000 0.041 0.000 1.057 268 I HN 0.278 nan 8.210 nan 0.000 0.413 269 R N 0.518 121.019 120.500 0.003 0.000 2.120 269 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 269 R C 2.022 178.313 176.300 -0.014 0.000 1.123 269 R CA 1.335 57.429 56.100 -0.010 0.000 0.975 269 R CB -0.334 29.980 30.300 0.023 0.000 0.866 269 R HN 0.367 nan 8.270 nan 0.000 0.446 270 A N 0.456 123.274 122.820 -0.003 0.000 2.275 270 A HA 0.177 4.497 4.320 -0.000 0.000 0.212 270 A C 0.599 178.167 177.584 -0.027 0.000 1.201 270 A CA -0.110 51.920 52.037 -0.013 0.000 0.843 270 A CB -0.070 18.924 19.000 -0.010 0.000 0.873 270 A HN 0.344 nan 8.150 nan 0.000 0.492 271 L N -1.426 119.774 121.223 -0.038 0.000 3.608 271 L HA -0.201 4.139 4.340 -0.000 0.000 0.422 271 L C -0.544 176.309 176.870 -0.029 0.000 1.260 271 L CA 0.652 55.465 54.840 -0.044 0.000 0.889 271 L CB -1.968 40.069 42.059 -0.038 0.000 1.821 271 L HN 0.399 nan 8.230 nan 0.000 0.884 272 K N 0.614 121.003 120.400 -0.019 0.000 2.463 272 K HA 0.587 4.907 4.320 -0.000 0.000 0.255 272 K C 0.260 176.867 176.600 0.011 0.000 0.942 272 K CA -0.761 55.521 56.287 -0.008 0.000 0.814 272 K CB 2.754 35.242 32.500 -0.021 0.000 1.122 272 K HN 0.120 nan 8.250 nan 0.000 0.425 273 V N 0.371 120.302 119.914 0.028 0.000 3.209 273 V HA 0.209 4.329 4.120 -0.000 0.000 0.305 273 V C 0.189 176.290 176.094 0.012 0.000 1.127 273 V CA -0.503 61.807 62.300 0.016 0.000 1.235 273 V CB 0.918 32.754 31.823 0.021 0.000 0.987 273 V HN 0.501 nan 8.190 nan 0.000 0.499 274 V N 4.339 124.256 119.914 0.006 0.000 2.925 274 V HA 0.659 4.779 4.120 -0.000 0.000 0.311 274 V C -0.627 175.464 176.094 -0.005 0.000 1.104 274 V CA -0.716 61.594 62.300 0.016 0.000 0.954 274 V CB 2.023 33.873 31.823 0.045 0.000 1.022 274 V HN 0.881 nan 8.190 nan 0.000 0.427 275 I N 4.210 124.775 120.570 -0.009 0.000 2.465 275 I HA 0.429 4.599 4.170 -0.000 0.000 0.291 275 I C -0.340 175.775 176.117 -0.004 0.000 1.014 275 I CA -0.445 60.843 61.300 -0.021 0.000 1.093 275 I CB 2.423 40.395 38.000 -0.048 0.000 1.267 275 I HN 0.509 nan 8.210 nan 0.000 0.431 276 T N 5.228 119.781 114.554 -0.001 0.000 2.749 276 T HA 0.526 4.876 4.350 -0.000 0.000 0.287 276 T C 0.553 175.253 174.700 0.001 0.000 0.970 276 T CA -0.270 61.830 62.100 -0.000 0.000 0.980 276 T CB 1.793 70.661 68.868 -0.000 0.000 0.924 276 T HN 0.805 nan 8.240 nan 0.000 0.456 277 A N 3.320 126.142 122.820 0.003 0.000 1.935 277 A HA 0.364 4.684 4.320 -0.000 0.000 0.202 277 A C 1.476 179.066 177.584 0.011 0.000 1.772 277 A CA 0.078 52.120 52.037 0.008 0.000 1.013 277 A CB -0.419 18.589 19.000 0.013 0.000 1.077 277 A HN 0.715 nan 8.150 nan 0.000 0.565 278 T N -3.174 111.387 114.554 0.012 0.000 2.753 278 T HA 0.409 4.759 4.350 -0.000 0.000 0.309 278 T C 0.715 175.421 174.700 0.010 0.000 1.043 278 T CA 0.394 62.503 62.100 0.015 0.000 0.964 278 T CB -0.072 68.806 68.868 0.018 0.000 1.206 278 T HN 0.582 nan 8.240 nan 0.000 0.528 279 M N 0.002 119.608 119.600 0.010 0.000 2.210 279 M HA -0.206 4.274 4.480 -0.000 0.000 0.198 279 M C 0.758 177.059 176.300 0.002 0.000 0.319 279 M CA 0.257 55.560 55.300 0.006 0.000 0.399 279 M CB -1.267 31.333 32.600 0.000 0.000 1.227 279 M HN 0.598 nan 8.290 nan 0.000 0.931 280 M N -0.761 118.843 119.600 0.006 0.000 2.131 280 M HA 0.112 4.592 4.480 -0.000 0.000 0.253 280 M C 1.410 177.714 176.300 0.006 0.000 1.107 280 M CA 1.623 56.926 55.300 0.005 0.000 1.147 280 M CB -0.324 32.281 32.600 0.008 0.000 1.279 280 M HN 0.473 nan 8.290 nan 0.000 0.432 281 L N 0.399 121.629 121.223 0.012 0.000 3.209 281 L HA 0.159 4.499 4.340 -0.000 0.000 0.279 281 L C 0.609 177.490 176.870 0.018 0.000 1.301 281 L CA -0.465 54.382 54.840 0.012 0.000 1.004 281 L CB 0.109 42.178 42.059 0.016 0.000 1.402 281 L HN 0.162 nan 8.230 nan 0.000 0.577 282 D N 0.670 121.080 120.400 0.017 0.000 2.158 282 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 282 D C 2.275 178.590 176.300 0.025 0.000 0.995 282 D CA 1.929 55.942 54.000 0.022 0.000 0.846 282 D CB 0.163 40.973 40.800 0.017 0.000 0.941 282 D HN 0.445 nan 8.370 nan 0.000 0.456 283 S N 0.321 116.031 115.700 0.016 0.000 2.402 283 S HA -0.202 4.268 4.470 -0.000 0.000 0.233 283 S C 1.915 176.533 174.600 0.031 0.000 1.030 283 S CA 0.912 59.122 58.200 0.016 0.000 1.003 283 S CB -0.518 62.682 63.200 0.001 0.000 0.813 283 S HN 0.288 nan 8.310 nan 0.000 0.477 284 M N 0.427 120.049 119.600 0.036 0.000 2.686 284 M HA 0.173 4.653 4.480 -0.000 0.000 0.246 284 M C 1.635 178.029 176.300 0.156 0.000 1.096 284 M CA 0.564 55.905 55.300 0.068 0.000 1.076 284 M CB -0.717 31.913 32.600 0.051 0.000 1.504 284 M HN 0.329 nan 8.290 nan 0.000 0.524 285 I N 0.734 121.364 120.570 0.100 0.000 2.361 285 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 285 I C 2.083 178.284 176.117 0.139 0.000 1.133 285 I CA 1.590 62.947 61.300 0.094 0.000 1.413 285 I CB -0.068 37.960 38.000 0.047 0.000 1.073 285 I HN 0.296 nan 8.210 nan 0.000 0.424 286 K N -0.452 120.033 120.400 0.142 0.000 2.367 286 K HA 0.185 4.505 4.320 -0.000 0.000 0.195 286 K C 0.067 176.807 176.600 0.234 0.000 1.060 286 K CA 0.078 56.472 56.287 0.177 0.000 1.022 286 K CB 0.367 32.920 32.500 0.088 0.000 0.894 286 K HN 0.325 nan 8.250 nan 0.000 0.540 287 N N 0.211 118.960 118.700 0.082 0.000 2.531 287 N HA 0.194 4.934 4.740 -0.000 0.000 0.290 287 N C -2.591 172.577 175.510 -0.570 0.000 1.257 287 N CA -1.850 51.101 53.050 -0.165 0.000 0.863 287 N CB 1.463 39.878 38.487 -0.120 0.000 1.320 287 N HN -0.268 nan 8.380 nan 0.000 0.538 288 P HA 0.184 nan 4.420 nan 0.000 0.262 288 P C -0.993 176.106 177.300 -0.335 0.000 1.304 288 P CA 0.369 62.958 63.100 -0.850 0.000 0.859 288 P CB 0.423 31.622 31.700 -0.836 0.000 1.310 289 R N 0.521 120.886 120.500 -0.226 0.000 2.604 289 R HA 0.434 4.774 4.340 -0.000 0.000 0.281 289 R C -2.974 173.278 176.300 -0.080 0.000 1.020 289 R CA -2.068 53.960 56.100 -0.120 0.000 0.899 289 R CB 1.891 32.133 30.300 -0.096 0.000 1.205 289 R HN -0.075 nan 8.270 nan 0.000 0.450 290 P HA 0.072 nan 4.420 nan 0.000 0.279 290 P C -0.195 177.086 177.300 -0.031 0.000 1.282 290 P CA -0.245 62.836 63.100 -0.031 0.000 0.788 290 P CB 0.602 32.289 31.700 -0.020 0.000 1.139 291 T N -3.042 111.498 114.554 -0.023 0.000 2.927 291 T HA 0.251 4.601 4.350 -0.000 0.000 0.281 291 T C 1.298 175.987 174.700 -0.019 0.000 0.998 291 T CA -0.752 61.335 62.100 -0.021 0.000 1.019 291 T CB 1.061 69.918 68.868 -0.017 0.000 1.061 291 T HN 0.381 nan 8.240 nan 0.000 0.518 292 R N 0.734 121.223 120.500 -0.018 0.000 2.092 292 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 292 R C 2.205 178.495 176.300 -0.017 0.000 1.119 292 R CA 1.806 57.896 56.100 -0.017 0.000 0.970 292 R CB -1.410 28.881 30.300 -0.016 0.000 0.864 292 R HN 0.820 nan 8.270 nan 0.000 0.440 293 A N 1.323 124.133 122.820 -0.017 0.000 1.883 293 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 293 A C 2.107 179.680 177.584 -0.018 0.000 1.186 293 A CA 1.638 53.664 52.037 -0.018 0.000 0.624 293 A CB -0.500 18.489 19.000 -0.018 0.000 0.822 293 A HN 0.548 nan 8.150 nan 0.000 0.444 294 E N -0.447 119.743 120.200 -0.016 0.000 2.038 294 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 294 E C 2.348 178.941 176.600 -0.013 0.000 1.000 294 E CA 1.154 57.546 56.400 -0.013 0.000 0.803 294 E CB -0.319 29.374 29.700 -0.011 0.000 0.750 294 E HN 0.607 nan 8.360 nan 0.000 0.448 295 A N 0.808 123.620 122.820 -0.013 0.000 1.948 295 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 295 A C 2.357 179.933 177.584 -0.013 0.000 1.177 295 A CA 1.910 53.940 52.037 -0.011 0.000 0.636 295 A CB -1.105 17.887 19.000 -0.012 0.000 0.815 295 A HN 0.401 nan 8.150 nan 0.000 0.449 296 G N -0.552 108.238 108.800 -0.016 0.000 2.394 296 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 296 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 296 G C 1.342 176.229 174.900 -0.023 0.000 1.165 296 G CA 1.232 46.320 45.100 -0.019 0.000 0.784 296 G HN 0.490 nan 8.290 nan 0.000 0.535 297 D N 0.463 120.849 120.400 -0.025 0.000 2.116 297 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 297 D C 2.685 178.972 176.300 -0.021 0.000 0.998 297 D CA 1.149 55.132 54.000 -0.028 0.000 0.836 297 D CB -0.304 40.480 40.800 -0.027 0.000 0.951 297 D HN 0.175 nan 8.370 nan 0.000 0.449 298 V N 0.919 120.825 119.914 -0.014 0.000 2.358 298 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 298 V C 2.666 178.757 176.094 -0.006 0.000 1.047 298 V CA 1.798 64.094 62.300 -0.007 0.000 1.035 298 V CB -0.998 30.824 31.823 -0.002 0.000 0.658 298 V HN 0.290 nan 8.190 nan 0.000 0.452 299 A N 0.269 123.084 122.820 -0.008 0.000 1.902 299 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 299 A C 2.108 179.684 177.584 -0.012 0.000 1.181 299 A CA 1.945 53.978 52.037 -0.006 0.000 0.623 299 A CB -0.660 18.335 19.000 -0.009 0.000 0.818 299 A HN 0.561 nan 8.150 nan 0.000 0.443 300 N N 0.201 118.889 118.700 -0.020 0.000 2.244 300 N HA -0.070 4.670 4.740 -0.000 0.000 0.183 300 N C 1.835 177.329 175.510 -0.026 0.000 1.016 300 N CA 1.312 54.345 53.050 -0.029 0.000 0.866 300 N CB -0.363 38.101 38.487 -0.039 0.000 0.980 300 N HN 0.476 nan 8.380 nan 0.000 0.430 301 A N 0.878 123.687 122.820 -0.018 0.000 1.929 301 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 301 A C 2.275 179.863 177.584 0.006 0.000 1.176 301 A CA 0.644 52.675 52.037 -0.010 0.000 0.628 301 A CB -0.439 18.556 19.000 -0.009 0.000 0.816 301 A HN 0.185 nan 8.150 nan 0.000 0.444 302 I N -0.293 120.283 120.570 0.011 0.000 2.252 302 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 302 I C 2.229 178.354 176.117 0.013 0.000 1.102 302 I CA 1.001 62.319 61.300 0.030 0.000 1.385 302 I CB -0.290 37.730 38.000 0.032 0.000 1.064 302 I HN 0.267 nan 8.210 nan 0.000 0.414 303 L N 0.101 121.313 121.223 -0.018 0.000 2.141 303 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 303 L C 1.984 178.810 176.870 -0.075 0.000 1.094 303 L CA 1.030 55.836 54.840 -0.057 0.000 0.763 303 L CB -0.684 41.344 42.059 -0.052 0.000 0.908 303 L HN 0.225 nan 8.230 nan 0.000 0.437 304 D N 0.295 120.671 120.400 -0.040 0.000 2.221 304 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 304 D C 1.653 177.946 176.300 -0.011 0.000 0.982 304 D CA 1.497 55.480 54.000 -0.029 0.000 0.857 304 D CB 0.043 40.835 40.800 -0.014 0.000 0.934 304 D HN 0.459 nan 8.370 nan 0.000 0.475 305 G N -0.304 108.514 108.800 0.029 0.000 2.148 305 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.157 305 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.157 305 G C 0.489 175.536 174.900 0.245 0.000 1.012 305 G CA 0.252 45.461 45.100 0.183 0.000 0.677 305 G HN 0.391 nan 8.290 nan 0.000 0.506 306 T N -0.438 114.193 114.554 0.129 0.000 2.855 306 T HA 0.365 4.715 4.350 -0.000 0.000 0.314 306 T C 1.494 176.246 174.700 0.087 0.000 1.077 306 T CA 1.163 63.319 62.100 0.093 0.000 1.095 306 T CB 0.452 69.348 68.868 0.048 0.000 0.987 306 T HN 0.175 nan 8.240 nan 0.000 0.546 307 D N 1.137 121.562 120.400 0.042 0.000 2.201 307 D HA 0.340 4.980 4.640 -0.000 0.000 0.209 307 D C 0.435 176.745 176.300 0.017 0.000 0.961 307 D CA 0.813 54.825 54.000 0.019 0.000 0.861 307 D CB 0.182 40.977 40.800 -0.007 0.000 0.997 307 D HN 0.626 nan 8.370 nan 0.000 0.486 308 A N -0.118 122.705 122.820 0.004 0.000 2.485 308 A HA 0.697 5.017 4.320 -0.000 0.000 0.292 308 A C -1.072 176.513 177.584 0.001 0.000 1.147 308 A CA -0.730 51.307 52.037 -0.001 0.000 0.750 308 A CB 1.420 20.403 19.000 -0.028 0.000 1.331 308 A HN 0.070 nan 8.150 nan 0.000 0.419 309 V N -1.524 118.392 119.914 0.004 0.000 2.769 309 V HA 0.869 4.989 4.120 -0.000 0.000 0.312 309 V C -0.419 175.678 176.094 0.004 0.000 1.061 309 V CA -0.703 61.600 62.300 0.006 0.000 0.931 309 V CB 1.572 33.402 31.823 0.011 0.000 1.010 309 V HN 1.117 nan 8.190 nan 0.000 0.433 310 M N 4.295 123.898 119.600 0.006 0.000 2.326 310 M HA 0.657 5.137 4.480 -0.000 0.000 0.306 310 M C -1.905 174.405 176.300 0.017 0.000 1.054 310 M CA -0.669 54.637 55.300 0.010 0.000 0.922 310 M CB 1.967 34.571 32.600 0.007 0.000 1.632 310 M HN 0.790 nan 8.290 nan 0.000 0.436 311 L N 3.039 124.276 121.223 0.022 0.000 2.312 311 L HA 0.471 4.811 4.340 -0.000 0.000 0.281 311 L C 0.247 177.137 176.870 0.032 0.000 1.070 311 L CA -0.199 54.657 54.840 0.027 0.000 0.805 311 L CB 1.772 43.849 42.059 0.030 0.000 1.174 311 L HN 0.818 nan 8.230 nan 0.000 0.434 312 S N 1.074 116.794 115.700 0.033 0.000 4.213 312 S HA 0.250 4.720 4.470 -0.000 0.000 0.198 312 S C 1.534 176.156 174.600 0.038 0.000 0.970 312 S CA 0.216 58.440 58.200 0.039 0.000 1.707 312 S CB 0.125 63.347 63.200 0.037 0.000 0.685 312 S HN 0.881 nan 8.310 nan 0.000 0.736 313 G N 0.935 109.756 108.800 0.035 0.000 2.545 313 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.222 313 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.222 313 G C 0.971 175.885 174.900 0.024 0.000 1.126 313 G CA 1.621 46.736 45.100 0.025 0.000 0.754 313 G HN 0.642 nan 8.290 nan 0.000 0.583 314 E N 0.527 120.747 120.200 0.034 0.000 2.171 314 E HA -0.114 4.236 4.350 -0.000 0.000 0.197 314 E C 2.610 179.234 176.600 0.040 0.000 0.997 314 E CA 1.616 58.042 56.400 0.045 0.000 0.810 314 E CB -0.080 29.647 29.700 0.046 0.000 0.738 314 E HN 0.628 nan 8.360 nan 0.000 0.467 315 S N -1.775 113.944 115.700 0.032 0.000 2.603 315 S HA 0.494 4.964 4.470 -0.000 0.000 0.232 315 S C 1.471 176.081 174.600 0.016 0.000 1.016 315 S CA -0.024 58.192 58.200 0.027 0.000 0.976 315 S CB 1.046 64.266 63.200 0.032 0.000 0.921 315 S HN 0.234 nan 8.310 nan 0.000 0.516 316 A N 3.062 125.890 122.820 0.013 0.000 1.963 316 A HA 0.330 4.650 4.320 -0.000 0.000 0.207 316 A C 1.872 179.442 177.584 -0.024 0.000 1.243 316 A CA 0.690 52.728 52.037 0.002 0.000 0.728 316 A CB 0.047 19.057 19.000 0.017 0.000 0.895 316 A HN 0.548 nan 8.150 nan 0.000 0.467 317 K N -1.195 119.188 120.400 -0.028 0.000 2.521 317 K HA 0.255 4.575 4.320 -0.000 0.000 0.213 317 K C 0.877 177.445 176.600 -0.053 0.000 1.223 317 K CA 0.347 56.603 56.287 -0.051 0.000 1.013 317 K CB -0.001 32.460 32.500 -0.065 0.000 1.017 317 K HN 0.235 nan 8.250 nan 0.000 0.591 318 G N 1.404 110.185 108.800 -0.032 0.000 2.750 318 G HA2 0.201 4.161 3.960 -0.000 0.000 0.250 318 G HA3 0.201 4.161 3.960 -0.000 0.000 0.250 318 G C 0.823 175.651 174.900 -0.120 0.000 1.230 318 G CA 0.341 45.422 45.100 -0.033 0.000 0.883 318 G HN 0.311 nan 8.290 nan 0.000 0.573 319 K N -1.074 119.189 120.400 -0.228 0.000 2.432 319 K HA 0.163 4.483 4.320 -0.000 0.000 0.196 319 K C 0.595 176.598 176.600 -0.994 0.000 1.038 319 K CA 0.944 56.872 56.287 -0.598 0.000 0.986 319 K CB -0.243 31.812 32.500 -0.742 0.000 0.782 319 K HN 0.629 nan 8.250 nan 0.000 0.485 320 Y N -0.110 120.187 120.300 -0.005 0.000 2.614 320 Y HA 0.180 4.730 4.550 -0.000 0.000 0.296 320 Y C -1.752 174.147 175.900 -0.001 0.000 0.942 320 Y CA -2.343 55.755 58.100 -0.003 0.000 1.111 320 Y CB 1.220 39.679 38.460 -0.002 0.000 1.182 320 Y HN 0.036 nan 8.280 nan 0.000 0.624 321 P HA -0.269 nan 4.420 nan 0.000 0.216 321 P C 1.700 179.039 177.300 0.065 0.000 1.157 321 P CA 1.384 64.514 63.100 0.052 0.000 0.880 321 P CB 0.665 32.372 31.700 0.011 0.000 0.791 322 L N -0.180 121.082 121.223 0.064 0.000 2.217 322 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 322 L C 2.208 179.120 176.870 0.069 0.000 1.107 322 L CA 1.767 56.641 54.840 0.057 0.000 0.783 322 L CB -1.183 40.904 42.059 0.046 0.000 0.919 322 L HN -0.210 nan 8.230 nan 0.000 0.442 323 E N -0.252 120.010 120.200 0.104 0.000 2.106 323 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 323 E C 2.239 178.871 176.600 0.054 0.000 0.984 323 E CA 1.271 57.717 56.400 0.077 0.000 0.806 323 E CB -0.403 29.346 29.700 0.082 0.000 0.750 323 E HN 0.582 nan 8.360 nan 0.000 0.458 324 A N 0.516 123.380 122.820 0.073 0.000 1.855 324 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 324 A C 2.460 180.067 177.584 0.038 0.000 1.191 324 A CA 1.331 53.399 52.037 0.051 0.000 0.613 324 A CB -0.844 18.190 19.000 0.058 0.000 0.829 324 A HN 0.126 nan 8.150 nan 0.000 0.442 325 V N 0.141 120.080 119.914 0.041 0.000 2.250 325 V HA -0.309 3.811 4.120 -0.000 0.000 0.250 325 V C 2.796 178.906 176.094 0.028 0.000 1.060 325 V CA 2.573 64.892 62.300 0.033 0.000 1.030 325 V CB -1.144 30.699 31.823 0.033 0.000 0.643 325 V HN 0.555 nan 8.190 nan 0.000 0.445 326 S N -0.486 115.232 115.700 0.029 0.000 2.370 326 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 326 S C 1.895 176.505 174.600 0.016 0.000 1.033 326 S CA 1.715 59.928 58.200 0.023 0.000 1.011 326 S CB -0.403 62.810 63.200 0.023 0.000 0.852 326 S HN 0.450 nan 8.310 nan 0.000 0.457 327 I N 1.410 121.988 120.570 0.013 0.000 2.439 327 I HA 0.001 4.171 4.170 -0.000 0.000 0.251 327 I C 1.997 178.119 176.117 0.008 0.000 1.139 327 I CA 0.888 62.191 61.300 0.005 0.000 1.438 327 I CB -0.699 37.298 38.000 -0.004 0.000 1.085 327 I HN 0.218 nan 8.210 nan 0.000 0.427 328 M N 0.806 120.414 119.600 0.013 0.000 2.149 328 M HA -0.112 4.368 4.480 -0.000 0.000 0.261 328 M C 2.032 178.342 176.300 0.016 0.000 1.064 328 M CA 2.239 57.548 55.300 0.015 0.000 1.102 328 M CB -0.752 31.859 32.600 0.019 0.000 1.369 328 M HN 0.243 nan 8.290 nan 0.000 0.408 329 A N -1.582 121.248 122.820 0.018 0.000 2.030 329 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 329 A C 2.179 179.774 177.584 0.018 0.000 1.164 329 A CA 1.443 53.492 52.037 0.020 0.000 0.697 329 A CB -1.267 17.746 19.000 0.022 0.000 0.827 329 A HN 0.643 nan 8.150 nan 0.000 0.457 330 T N -1.108 113.455 114.554 0.014 0.000 2.821 330 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 330 T C 1.813 176.520 174.700 0.011 0.000 1.046 330 T CA 1.528 63.635 62.100 0.012 0.000 1.139 330 T CB -0.518 68.355 68.868 0.009 0.000 0.871 330 T HN 0.326 nan 8.240 nan 0.000 0.454 331 I N 0.664 121.240 120.570 0.010 0.000 2.202 331 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 331 I C 2.987 179.112 176.117 0.013 0.000 1.091 331 I CA 0.860 62.165 61.300 0.008 0.000 1.368 331 I CB -0.597 37.407 38.000 0.006 0.000 1.058 331 I HN 0.381 nan 8.210 nan 0.000 0.410 332 C N 0.539 119.849 119.300 0.017 0.000 2.413 332 C HA -0.188 4.272 4.460 -0.000 0.000 0.276 332 C C 2.893 177.899 174.990 0.027 0.000 1.236 332 C CA 1.069 60.102 59.018 0.024 0.000 1.735 332 C CB -0.947 26.809 27.740 0.027 0.000 2.031 332 C HN 0.522 nan 8.230 nan 0.000 0.474 333 E N 1.137 121.352 120.200 0.025 0.000 2.058 333 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 333 E C 2.250 178.864 176.600 0.024 0.000 0.997 333 E CA 1.597 58.013 56.400 0.026 0.000 0.801 333 E CB -0.350 29.364 29.700 0.024 0.000 0.746 333 E HN 0.578 nan 8.360 nan 0.000 0.450 334 R N -0.076 120.434 120.500 0.018 0.000 2.115 334 R HA -0.004 4.336 4.340 -0.000 0.000 0.226 334 R C 2.240 178.549 176.300 0.014 0.000 1.100 334 R CA 2.008 58.117 56.100 0.014 0.000 0.980 334 R CB -0.634 29.671 30.300 0.010 0.000 0.875 334 R HN 0.094 nan 8.270 nan 0.000 0.445 335 T N 0.724 115.287 114.554 0.014 0.000 2.851 335 T HA -0.028 4.322 4.350 -0.000 0.000 0.262 335 T C 0.966 175.678 174.700 0.020 0.000 1.043 335 T CA 1.273 63.380 62.100 0.012 0.000 1.140 335 T CB -0.264 68.610 68.868 0.010 0.000 0.872 335 T HN 0.241 nan 8.240 nan 0.000 0.446 336 D N 1.552 121.971 120.400 0.032 0.000 2.178 336 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 336 D C 2.293 178.620 176.300 0.045 0.000 0.980 336 D CA 0.777 54.806 54.000 0.049 0.000 0.842 336 D CB -0.300 40.536 40.800 0.060 0.000 0.948 336 D HN 0.513 nan 8.370 nan 0.000 0.472 337 R N 1.120 121.641 120.500 0.034 0.000 2.280 337 R HA -0.041 4.299 4.340 -0.000 0.000 0.207 337 R C 1.253 177.569 176.300 0.027 0.000 1.043 337 R CA 0.834 56.954 56.100 0.033 0.000 1.006 337 R CB -0.180 30.137 30.300 0.028 0.000 0.885 337 R HN 0.198 nan 8.270 nan 0.000 0.467 338 V N -2.028 117.897 119.914 0.019 0.000 3.376 338 V HA 0.339 4.459 4.120 -0.000 0.000 0.313 338 V C 0.807 176.903 176.094 0.004 0.000 1.393 338 V CA -0.457 61.849 62.300 0.010 0.000 1.125 338 V CB -0.408 31.417 31.823 0.004 0.000 1.037 338 V HN 0.067 nan 8.190 nan 0.000 0.440 339 M N 1.632 121.238 119.600 0.009 0.000 2.197 339 M HA 0.458 4.938 4.480 -0.000 0.000 0.305 339 M C -0.108 176.201 176.300 0.016 0.000 1.162 339 M CA 0.166 55.461 55.300 -0.007 0.000 1.099 339 M CB 0.840 33.442 32.600 0.003 0.000 1.430 339 M HN 0.305 nan 8.290 nan 0.000 0.481 340 N N -0.457 118.245 118.700 0.004 0.000 2.357 340 N HA 0.359 5.099 4.740 -0.000 0.000 0.284 340 N C -1.262 174.298 175.510 0.083 0.000 1.236 340 N CA -0.503 52.569 53.050 0.037 0.000 0.774 340 N CB 1.793 40.289 38.487 0.014 0.000 1.534 340 N HN 0.682 nan 8.380 nan 0.000 0.478 341 S N 0.287 116.059 115.700 0.120 0.000 2.576 341 S HA 0.299 4.769 4.470 -0.000 0.000 0.272 341 S C 0.063 174.765 174.600 0.169 0.000 1.352 341 S CA -0.364 57.952 58.200 0.192 0.000 1.021 341 S CB 0.705 63.998 63.200 0.155 0.000 0.887 341 S HN 0.404 nan 8.310 nan 0.000 0.542 342 R N 1.449 122.106 120.500 0.261 0.000 2.312 342 R HA 0.396 4.736 4.340 -0.000 0.000 0.310 342 R C 0.067 176.539 176.300 0.287 0.000 1.064 342 R CA -0.288 55.944 56.100 0.220 0.000 0.983 342 R CB 0.557 31.000 30.300 0.238 0.000 1.139 342 R HN 0.619 nan 8.270 nan 0.000 0.536 343 L N 1.728 123.053 121.223 0.171 0.000 2.189 343 L HA 0.109 4.449 4.340 -0.000 0.000 0.199 343 L C 1.277 178.221 176.870 0.122 0.000 1.074 343 L CA 0.980 55.887 54.840 0.112 0.000 0.783 343 L CB -0.540 41.525 42.059 0.009 0.000 0.955 343 L HN 0.823 nan 8.230 nan 0.000 0.460 355 T N 1.335 115.913 114.554 0.039 0.000 2.635 355 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 355 T C 1.514 176.260 174.700 0.078 0.000 1.040 355 T CA 2.320 64.450 62.100 0.051 0.000 1.156 355 T CB -0.189 68.705 68.868 0.043 0.000 0.863 355 T HN 0.234 nan 8.240 nan 0.000 0.430 356 E N 1.225 121.480 120.200 0.091 0.000 2.049 356 E HA -0.087 4.263 4.350 -0.000 0.000 0.198 356 E C 2.408 179.064 176.600 0.094 0.000 1.007 356 E CA 1.459 57.945 56.400 0.143 0.000 0.809 356 E CB -0.869 28.911 29.700 0.134 0.000 0.749 356 E HN 0.530 nan 8.360 nan 0.000 0.450 357 A N 0.451 123.302 122.820 0.051 0.000 1.858 357 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 357 A C 2.569 180.151 177.584 -0.004 0.000 1.190 357 A CA 1.722 53.766 52.037 0.013 0.000 0.617 357 A CB -0.882 18.125 19.000 0.013 0.000 0.827 357 A HN 0.141 nan 8.150 nan 0.000 0.443 358 V N -0.495 119.432 119.914 0.021 0.000 2.282 358 V HA -0.386 3.734 4.120 -0.000 0.000 0.249 358 V C 2.658 178.762 176.094 0.017 0.000 1.057 358 V CA 2.297 64.612 62.300 0.024 0.000 1.032 358 V CB -1.253 30.596 31.823 0.044 0.000 0.645 358 V HN 0.719 nan 8.190 nan 0.000 0.447 359 C N -0.877 118.451 119.300 0.047 0.000 2.450 359 C HA -0.058 4.402 4.460 -0.000 0.000 0.279 359 C C 2.859 177.787 174.990 -0.104 0.000 1.335 359 C CA 0.775 59.835 59.018 0.069 0.000 1.749 359 C CB -1.173 26.688 27.740 0.202 0.000 1.963 359 C HN 0.511 nan 8.230 nan 0.000 0.501 360 R N 1.022 121.340 120.500 -0.303 0.000 2.073 360 R HA -0.060 4.280 4.340 -0.000 0.000 0.229 360 R C 2.344 178.434 176.300 -0.350 0.000 1.120 360 R CA 1.659 57.301 56.100 -0.762 0.000 0.967 360 R CB -0.622 29.264 30.300 -0.689 0.000 0.862 360 R HN 0.564 nan 8.270 nan 0.000 0.436 361 G N 0.172 108.863 108.800 -0.183 0.000 2.418 361 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 361 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 361 G C 1.518 176.372 174.900 -0.076 0.000 1.158 361 G CA 0.793 45.830 45.100 -0.106 0.000 0.771 361 G HN 0.458 nan 8.290 nan 0.000 0.545 362 A N -0.003 122.786 122.820 -0.051 0.000 1.948 362 A HA 0.005 4.325 4.320 -0.000 0.000 0.220 362 A C 2.584 180.160 177.584 -0.013 0.000 1.177 362 A CA 2.043 54.074 52.037 -0.011 0.000 0.636 362 A CB -0.571 18.447 19.000 0.029 0.000 0.815 362 A HN 0.293 nan 8.150 nan 0.000 0.449 363 V N -0.394 119.493 119.914 -0.044 0.000 2.488 363 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 363 V C 2.459 178.536 176.094 -0.028 0.000 1.046 363 V CA 1.892 64.184 62.300 -0.012 0.000 1.053 363 V CB -0.512 31.317 31.823 0.009 0.000 0.679 363 V HN 0.774 nan 8.190 nan 0.000 0.458 364 E N 0.048 120.202 120.200 -0.078 0.000 2.118 364 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 364 E C 2.140 178.722 176.600 -0.030 0.000 0.992 364 E CA 1.897 58.264 56.400 -0.054 0.000 0.804 364 E CB -0.026 29.627 29.700 -0.078 0.000 0.741 364 E HN 0.575 nan 8.360 nan 0.000 0.458 365 T N 0.335 114.870 114.554 -0.032 0.000 2.851 365 T HA -0.005 4.345 4.350 -0.000 0.000 0.262 365 T C 1.829 176.522 174.700 -0.012 0.000 1.043 365 T CA 0.991 63.077 62.100 -0.023 0.000 1.140 365 T CB -0.242 68.609 68.868 -0.028 0.000 0.872 365 T HN 0.340 nan 8.240 nan 0.000 0.446 366 A N 2.063 124.881 122.820 -0.003 0.000 1.927 366 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 366 A C 2.200 179.790 177.584 0.011 0.000 1.185 366 A CA 1.869 53.911 52.037 0.008 0.000 0.639 366 A CB -0.511 18.503 19.000 0.023 0.000 0.820 366 A HN 0.594 nan 8.150 nan 0.000 0.451 367 E N -0.376 119.831 120.200 0.012 0.000 2.046 367 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 367 E C 2.065 178.670 176.600 0.009 0.000 0.982 367 E CA 1.131 57.540 56.400 0.016 0.000 0.800 367 E CB -0.250 29.464 29.700 0.022 0.000 0.756 367 E HN 0.628 nan 8.360 nan 0.000 0.449 368 K N 0.799 121.200 120.400 0.001 0.000 2.063 368 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 368 K C 1.960 178.558 176.600 -0.003 0.000 1.048 368 K CA 1.000 57.285 56.287 -0.003 0.000 0.928 368 K CB -0.079 32.416 32.500 -0.009 0.000 0.713 368 K HN 0.109 nan 8.250 nan 0.000 0.442 369 L N 0.473 121.693 121.223 -0.005 0.000 2.629 369 L HA 0.086 4.426 4.340 -0.000 0.000 0.230 369 L C -0.672 176.199 176.870 0.002 0.000 1.151 369 L CA -0.109 54.727 54.840 -0.006 0.000 0.924 369 L CB -0.437 41.614 42.059 -0.014 0.000 1.137 369 L HN 0.208 nan 8.230 nan 0.000 0.457 370 D N 1.067 121.471 120.400 0.007 0.000 2.737 370 D HA -0.146 4.494 4.640 -0.000 0.000 0.238 370 D C 0.215 176.524 176.300 0.016 0.000 1.157 370 D CA 0.719 54.727 54.000 0.014 0.000 0.694 370 D CB -0.204 40.605 40.800 0.014 0.000 1.021 370 D HN 0.460 nan 8.370 nan 0.000 0.420 371 A N 1.512 124.342 122.820 0.016 0.000 2.290 371 A HA 0.593 4.913 4.320 -0.000 0.000 0.310 371 A C -1.088 176.509 177.584 0.022 0.000 1.202 371 A CA -1.113 50.934 52.037 0.016 0.000 0.837 371 A CB 0.992 19.999 19.000 0.012 0.000 1.139 371 A HN 0.112 nan 8.150 nan 0.000 0.509 372 P HA 0.123 nan 4.420 nan 0.000 0.241 372 P C -0.274 177.037 177.300 0.018 0.000 1.191 372 P CA 0.482 63.596 63.100 0.024 0.000 0.771 372 P CB 0.038 31.751 31.700 0.021 0.000 0.929 373 L N -0.635 120.598 121.223 0.015 0.000 2.505 373 L HA 0.508 4.848 4.340 -0.000 0.000 0.259 373 L C -1.641 175.247 176.870 0.030 0.000 0.952 373 L CA -1.042 53.809 54.840 0.018 0.000 0.840 373 L CB 2.309 44.367 42.059 -0.001 0.000 1.358 373 L HN -0.319 nan 8.230 nan 0.000 0.409 374 I N 4.529 125.126 120.570 0.046 0.000 2.406 374 I HA 0.538 4.708 4.170 -0.000 0.000 0.290 374 I C -0.883 175.286 176.117 0.087 0.000 0.999 374 I CA -0.855 60.484 61.300 0.065 0.000 1.124 374 I CB 2.003 40.046 38.000 0.071 0.000 1.289 374 I HN 0.288 nan 8.210 nan 0.000 0.441 375 V N 7.401 127.385 119.914 0.116 0.000 2.435 375 V HA 0.474 4.594 4.120 -0.000 0.000 0.290 375 V C -0.148 176.142 176.094 0.327 0.000 1.030 375 V CA -0.597 61.808 62.300 0.176 0.000 0.881 375 V CB 2.002 33.896 31.823 0.118 0.000 0.983 375 V HN 0.377 nan 8.190 nan 0.000 0.445 376 V N 3.593 123.667 119.914 0.267 0.000 2.680 376 V HA 0.814 4.934 4.120 -0.000 0.000 0.309 376 V C 0.236 176.330 176.094 0.001 0.000 1.052 376 V CA -0.610 61.803 62.300 0.188 0.000 0.908 376 V CB 2.106 33.986 31.823 0.095 0.000 1.001 376 V HN 0.988 nan 8.190 nan 0.000 0.431 377 A N 2.617 125.235 122.820 -0.337 0.000 2.306 377 A HA 0.889 5.209 4.320 -0.000 0.000 0.314 377 A C -0.098 177.334 177.584 -0.253 0.000 1.164 377 A CA -0.336 51.400 52.037 -0.502 0.000 0.822 377 A CB 1.469 19.831 19.000 -1.064 0.000 1.130 377 A HN 0.961 nan 8.150 nan 0.000 0.496 378 T N 0.226 114.678 114.554 -0.170 0.000 3.225 378 T HA 0.259 4.609 4.350 -0.000 0.000 0.356 378 T C -0.105 174.543 174.700 -0.087 0.000 1.460 378 T CA -0.412 61.624 62.100 -0.106 0.000 1.126 378 T CB 1.368 70.200 68.868 -0.061 0.000 1.321 378 T HN 0.573 nan 8.240 nan 0.000 0.478 379 Q N 2.675 122.431 119.800 -0.074 0.000 2.178 379 Q HA 0.239 4.579 4.340 -0.000 0.000 0.195 379 Q C 1.920 177.890 176.000 -0.050 0.000 0.960 379 Q CA 1.816 57.580 55.803 -0.065 0.000 0.843 379 Q CB -0.123 28.580 28.738 -0.059 0.000 0.927 379 Q HN 0.887 nan 8.270 nan 0.000 0.487 380 G N -1.444 107.338 108.800 -0.031 0.000 2.887 380 G HA2 0.267 4.227 3.960 -0.000 0.000 0.211 380 G HA3 0.267 4.227 3.960 -0.000 0.000 0.211 380 G C 0.876 175.788 174.900 0.019 0.000 1.152 380 G CA 0.638 45.735 45.100 -0.004 0.000 0.769 380 G HN 0.529 nan 8.290 nan 0.000 0.541 381 G N 0.173 108.977 108.800 0.006 0.000 2.218 381 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 381 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 381 G C 1.109 176.027 174.900 0.030 0.000 0.994 381 G CA 0.831 45.947 45.100 0.027 0.000 0.637 381 G HN 0.495 nan 8.290 nan 0.000 0.505 382 K N 1.210 121.621 120.400 0.019 0.000 2.009 382 K HA -0.116 4.204 4.320 -0.000 0.000 0.210 382 K C 2.878 179.484 176.600 0.010 0.000 1.049 382 K CA 2.367 58.661 56.287 0.012 0.000 0.929 382 K CB -0.261 32.241 32.500 0.004 0.000 0.714 382 K HN 0.646 nan 8.250 nan 0.000 0.440 383 S N -0.207 115.496 115.700 0.005 0.000 2.453 383 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 383 S C 2.022 176.636 174.600 0.024 0.000 1.005 383 S CA 0.730 58.940 58.200 0.016 0.000 0.949 383 S CB 0.037 63.239 63.200 0.004 0.000 0.774 383 S HN 0.364 nan 8.310 nan 0.000 0.510 384 A N 2.290 125.120 122.820 0.017 0.000 1.968 384 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 384 A C 2.382 179.971 177.584 0.009 0.000 1.169 384 A CA 0.847 52.897 52.037 0.022 0.000 0.638 384 A CB -0.450 18.564 19.000 0.023 0.000 0.812 384 A HN 0.541 nan 8.150 nan 0.000 0.446 385 R N -0.552 119.949 120.500 0.003 0.000 2.115 385 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 385 R C 2.329 178.592 176.300 -0.062 0.000 1.100 385 R CA 0.961 57.044 56.100 -0.029 0.000 0.980 385 R CB -0.331 29.960 30.300 -0.016 0.000 0.875 385 R HN 0.491 nan 8.270 nan 0.000 0.445 386 A N 0.510 123.318 122.820 -0.021 0.000 2.015 386 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 386 A C 2.193 179.821 177.584 0.073 0.000 1.163 386 A CA 0.985 53.024 52.037 0.004 0.000 0.646 386 A CB -0.105 18.928 19.000 0.055 0.000 0.806 386 A HN 0.099 nan 8.150 nan 0.000 0.448 387 V N -0.044 119.914 119.914 0.074 0.000 2.535 387 V HA -0.090 4.030 4.120 -0.000 0.000 0.246 387 V C 2.635 178.774 176.094 0.075 0.000 1.045 387 V CA 1.572 63.962 62.300 0.150 0.000 1.058 387 V CB -0.569 31.318 31.823 0.108 0.000 0.689 387 V HN 0.623 nan 8.190 nan 0.000 0.461 388 R N 1.351 121.821 120.500 -0.050 0.000 2.193 388 R HA -0.173 4.167 4.340 -0.000 0.000 0.229 388 R C 2.107 178.179 176.300 -0.381 0.000 1.110 388 R CA 1.681 57.675 56.100 -0.177 0.000 0.988 388 R CB -0.500 29.701 30.300 -0.164 0.000 0.871 388 R HN 0.525 nan 8.270 nan 0.000 0.458 389 K N 0.015 120.177 120.400 -0.396 0.000 2.127 389 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 389 K C 0.772 176.987 176.600 -0.641 0.000 1.047 389 K CA 1.918 57.842 56.287 -0.604 0.000 0.927 389 K CB -0.195 31.779 32.500 -0.876 0.000 0.716 389 K HN 0.313 nan 8.250 nan 0.000 0.450 390 Y N -0.988 119.282 120.300 -0.050 0.000 2.493 390 Y HA 0.222 4.772 4.550 0.000 0.000 0.275 390 Y C -0.472 175.557 175.900 0.215 0.000 1.183 390 Y CA -0.531 57.633 58.100 0.108 0.000 1.258 390 Y CB -0.194 38.319 38.460 0.089 0.000 1.108 390 Y HN -0.075 nan 8.280 nan 0.000 0.521 391 F N -0.640 119.363 119.950 0.088 0.000 3.027 391 F HA -0.219 4.308 4.527 -0.000 0.000 0.276 391 F C -2.054 173.798 175.800 0.086 0.000 0.967 391 F CA -1.063 56.979 58.000 0.070 0.000 0.929 391 F CB -1.821 37.211 39.000 0.053 0.000 0.873 391 F HN 0.059 nan 8.300 nan 0.000 0.787 392 P HA -0.084 nan 4.420 nan 0.000 0.266 392 P C 0.643 178.016 177.300 0.122 0.000 1.186 392 P CA 0.443 63.626 63.100 0.139 0.000 0.767 392 P CB 0.775 32.534 31.700 0.098 0.000 0.820 393 D N 0.398 120.857 120.400 0.098 0.000 2.249 393 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 393 D C 0.986 177.325 176.300 0.065 0.000 0.962 393 D CA 0.570 54.617 54.000 0.080 0.000 0.860 393 D CB -0.331 40.508 40.800 0.065 0.000 0.955 393 D HN 0.420 nan 8.370 nan 0.000 0.505 394 A N 1.042 123.898 122.820 0.060 0.000 2.511 394 A HA 0.205 4.525 4.320 -0.000 0.000 0.242 394 A C 0.691 178.305 177.584 0.049 0.000 1.069 394 A CA 0.143 52.210 52.037 0.050 0.000 0.763 394 A CB 0.094 19.123 19.000 0.047 0.000 1.001 394 A HN -0.015 nan 8.150 nan 0.000 0.498 395 T N 2.289 116.867 114.554 0.041 0.000 2.900 395 T HA 0.331 4.681 4.350 -0.000 0.000 0.307 395 T C 0.326 175.050 174.700 0.040 0.000 1.065 395 T CA 0.408 62.531 62.100 0.038 0.000 1.105 395 T CB 0.087 68.974 68.868 0.031 0.000 0.979 395 T HN 0.382 nan 8.240 nan 0.000 0.544 396 I N 3.773 124.368 120.570 0.040 0.000 2.307 396 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 396 I C -0.437 175.709 176.117 0.048 0.000 1.021 396 I CA -0.836 60.493 61.300 0.048 0.000 1.224 396 I CB 1.207 39.233 38.000 0.043 0.000 1.376 396 I HN 0.282 nan 8.210 nan 0.000 0.470 397 L N 7.694 128.951 121.223 0.056 0.000 2.260 397 L HA 0.525 4.865 4.340 -0.000 0.000 0.289 397 L C 0.122 177.038 176.870 0.075 0.000 1.057 397 L CA -0.260 54.614 54.840 0.057 0.000 0.811 397 L CB 0.750 42.840 42.059 0.051 0.000 1.184 397 L HN 0.642 nan 8.230 nan 0.000 0.429 398 A N 7.279 130.135 122.820 0.059 0.000 2.322 398 A HA 0.602 4.922 4.320 -0.000 0.000 0.327 398 A C -0.602 177.003 177.584 0.035 0.000 1.394 398 A CA -0.586 51.481 52.037 0.049 0.000 0.921 398 A CB -0.114 18.904 19.000 0.029 0.000 1.153 398 A HN 0.734 nan 8.150 nan 0.000 0.523 399 L N 2.016 123.265 121.223 0.044 0.000 2.326 399 L HA 0.714 5.054 4.340 -0.000 0.000 0.278 399 L C 0.612 177.462 176.870 -0.034 0.000 1.092 399 L CA -0.240 54.615 54.840 0.025 0.000 0.810 399 L CB 1.452 43.560 42.059 0.083 0.000 1.153 399 L HN 0.684 nan 8.230 nan 0.000 0.439 400 T N -0.920 113.611 114.554 -0.039 0.000 2.821 400 T HA 0.334 4.684 4.350 -0.000 0.000 0.306 400 T C 0.413 175.074 174.700 -0.065 0.000 1.313 400 T CA 0.037 62.097 62.100 -0.066 0.000 1.012 400 T CB 1.763 70.590 68.868 -0.069 0.000 1.298 400 T HN 0.729 nan 8.240 nan 0.000 0.502 401 T N -0.123 114.387 114.554 -0.073 0.000 3.054 401 T HA 0.284 4.634 4.350 -0.000 0.000 0.255 401 T C 0.525 175.175 174.700 -0.083 0.000 1.035 401 T CA -0.179 61.880 62.100 -0.068 0.000 0.941 401 T CB -0.552 68.280 68.868 -0.059 0.000 1.026 401 T HN 0.568 nan 8.240 nan 0.000 0.533 402 N N 1.155 119.798 118.700 -0.096 0.000 2.414 402 N HA 0.164 4.904 4.740 -0.000 0.000 0.256 402 N C 0.987 176.397 175.510 -0.166 0.000 1.029 402 N CA -0.446 52.535 53.050 -0.115 0.000 0.948 402 N CB 1.015 39.441 38.487 -0.101 0.000 1.102 402 N HN 0.167 nan 8.380 nan 0.000 0.496 403 E N 2.377 122.458 120.200 -0.198 0.000 2.152 403 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 403 E C 1.221 177.522 176.600 -0.498 0.000 0.983 403 E CA 0.872 57.069 56.400 -0.337 0.000 0.818 403 E CB 0.141 29.675 29.700 -0.277 0.000 0.758 403 E HN 0.584 nan 8.360 nan 0.000 0.467 404 K N 0.730 120.945 120.400 -0.309 0.000 2.097 404 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 404 K C 2.110 178.550 176.600 -0.266 0.000 1.049 404 K CA 1.570 57.699 56.287 -0.263 0.000 0.933 404 K CB -0.039 32.339 32.500 -0.204 0.000 0.717 404 K HN -0.031 nan 8.250 nan 0.000 0.442 405 T N 0.354 114.776 114.554 -0.221 0.000 2.708 405 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 405 T C 1.834 176.453 174.700 -0.135 0.000 1.037 405 T CA 1.274 63.276 62.100 -0.163 0.000 1.146 405 T CB -0.437 68.365 68.868 -0.111 0.000 0.865 405 T HN 0.382 nan 8.240 nan 0.000 0.435 406 A N 1.336 124.053 122.820 -0.172 0.000 1.917 406 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 406 A C 1.919 179.491 177.584 -0.020 0.000 1.182 406 A CA 2.033 54.004 52.037 -0.110 0.000 0.633 406 A CB -1.045 17.853 19.000 -0.170 0.000 0.819 406 A HN 0.723 nan 8.150 nan 0.000 0.448 407 H N -0.947 118.086 119.070 -0.063 0.000 2.270 407 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 407 H C 2.443 177.750 175.328 -0.036 0.000 1.077 407 H CA 1.492 57.509 56.048 -0.052 0.000 1.294 407 H CB -0.114 29.591 29.762 -0.095 0.000 1.371 407 H HN 0.597 nan 8.280 nan 0.000 0.491 408 Q N 0.574 120.357 119.800 -0.028 0.000 2.181 408 Q HA -0.142 4.198 4.340 -0.000 0.000 0.205 408 Q C 2.263 178.385 176.000 0.203 0.000 0.980 408 Q CA 1.052 56.813 55.803 -0.069 0.000 0.862 408 Q CB -0.053 28.396 28.738 -0.481 0.000 0.905 408 Q HN 0.486 nan 8.270 nan 0.000 0.429 409 L N -0.153 121.133 121.223 0.105 0.000 2.275 409 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 409 L C 2.136 179.082 176.870 0.127 0.000 1.119 409 L CA 0.266 55.173 54.840 0.113 0.000 0.790 409 L CB -0.301 41.794 42.059 0.060 0.000 0.919 409 L HN 0.116 nan 8.230 nan 0.000 0.443 410 V N 0.127 120.128 119.914 0.145 0.000 2.324 410 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 410 V C 2.408 178.571 176.094 0.115 0.000 1.060 410 V CA 1.878 64.252 62.300 0.124 0.000 1.042 410 V CB -0.413 31.491 31.823 0.134 0.000 0.650 410 V HN 0.364 nan 8.190 nan 0.000 0.450 411 L N -0.001 121.315 121.223 0.155 0.000 2.261 411 L HA -0.054 4.286 4.340 -0.000 0.000 0.216 411 L C 1.386 178.289 176.870 0.055 0.000 1.114 411 L CA 1.239 56.125 54.840 0.076 0.000 0.777 411 L CB -0.371 41.679 42.059 -0.015 0.000 0.910 411 L HN 0.272 nan 8.230 nan 0.000 0.440 412 S N -0.149 115.596 115.700 0.075 0.000 2.586 412 S HA 0.154 4.624 4.470 -0.000 0.000 0.274 412 S C -0.007 174.602 174.600 0.014 0.000 1.281 412 S CA -0.586 57.636 58.200 0.036 0.000 1.035 412 S CB 1.072 64.295 63.200 0.038 0.000 0.962 412 S HN 0.168 nan 8.310 nan 0.000 0.512 413 K N 1.257 121.647 120.400 -0.017 0.000 2.472 413 K HA 0.210 4.530 4.320 -0.000 0.000 0.280 413 K C 1.201 177.794 176.600 -0.012 0.000 1.028 413 K CA 0.852 57.130 56.287 -0.015 0.000 1.045 413 K CB -0.288 32.183 32.500 -0.048 0.000 0.902 413 K HN 0.907 nan 8.250 nan 0.000 0.478 414 G N 2.321 111.131 108.800 0.017 0.000 2.212 414 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.267 414 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.267 414 G C -0.057 174.858 174.900 0.024 0.000 1.002 414 G CA 0.393 45.508 45.100 0.024 0.000 0.729 414 G HN 0.463 nan 8.290 nan 0.000 0.517 415 V N 0.230 120.159 119.914 0.025 0.000 2.439 415 V HA 0.515 4.635 4.120 -0.000 0.000 0.282 415 V C 0.632 176.749 176.094 0.039 0.000 1.039 415 V CA -0.715 61.604 62.300 0.032 0.000 0.913 415 V CB 1.980 33.824 31.823 0.034 0.000 0.983 415 V HN 0.168 nan 8.190 nan 0.000 0.460 416 V N 7.747 127.684 119.914 0.039 0.000 2.294 416 V HA 0.303 4.423 4.120 -0.000 0.000 0.272 416 V C -1.986 174.132 176.094 0.039 0.000 1.027 416 V CA -1.548 60.776 62.300 0.039 0.000 0.823 416 V CB 1.334 33.177 31.823 0.034 0.000 1.030 416 V HN 0.763 nan 8.190 nan 0.000 0.457 417 P HA 0.275 nan 4.420 nan 0.000 0.279 417 P C -1.008 176.307 177.300 0.026 0.000 1.239 417 P CA -0.397 62.722 63.100 0.031 0.000 0.789 417 P CB 1.470 33.191 31.700 0.034 0.000 0.933 418 Q N 2.259 122.070 119.800 0.017 0.000 2.271 418 Q HA 0.458 4.798 4.340 -0.000 0.000 0.268 418 Q C -1.724 174.274 176.000 -0.002 0.000 1.021 418 Q CA -0.860 54.950 55.803 0.013 0.000 0.802 418 Q CB 1.550 30.302 28.738 0.023 0.000 1.282 418 Q HN 0.307 nan 8.270 nan 0.000 0.431 419 L N 5.478 126.693 121.223 -0.014 0.000 2.313 419 L HA 0.606 4.946 4.340 -0.000 0.000 0.282 419 L C -0.944 175.916 176.870 -0.017 0.000 1.092 419 L CA -0.130 54.691 54.840 -0.032 0.000 0.831 419 L CB 1.188 43.215 42.059 -0.052 0.000 1.159 419 L HN 0.555 nan 8.230 nan 0.000 0.442 420 V N 2.341 122.242 119.914 -0.020 0.000 3.001 420 V HA 0.594 4.714 4.120 -0.000 0.000 0.314 420 V C 0.577 176.660 176.094 -0.017 0.000 1.099 420 V CA -0.299 61.995 62.300 -0.009 0.000 0.989 420 V CB 1.765 33.592 31.823 0.006 0.000 1.040 420 V HN 0.840 nan 8.190 nan 0.000 0.434 421 K N 1.032 121.424 120.400 -0.012 0.000 2.243 421 K HA 0.295 4.615 4.320 -0.000 0.000 0.201 421 K C 0.198 176.786 176.600 -0.020 0.000 1.051 421 K CA 1.000 57.276 56.287 -0.018 0.000 0.970 421 K CB 0.049 32.541 32.500 -0.014 0.000 0.755 421 K HN 0.951 nan 8.250 nan 0.000 0.465 422 E N 0.197 120.388 120.200 -0.015 0.000 2.388 422 E HA 0.404 4.754 4.350 -0.000 0.000 0.281 422 E C -1.356 175.236 176.600 -0.012 0.000 1.046 422 E CA -0.847 55.541 56.400 -0.019 0.000 0.825 422 E CB 1.163 30.853 29.700 -0.018 0.000 1.243 422 E HN 0.052 nan 8.360 nan 0.000 0.438 423 I N 2.363 122.919 120.570 -0.024 0.000 2.521 423 I HA 0.142 4.312 4.170 -0.000 0.000 0.277 423 I C 1.097 177.197 176.117 -0.029 0.000 1.054 423 I CA -0.456 60.833 61.300 -0.018 0.000 1.117 423 I CB 1.742 39.714 38.000 -0.046 0.000 1.217 423 I HN 0.897 nan 8.210 nan 0.000 0.469 424 T N 0.904 115.448 114.554 -0.017 0.000 2.904 424 T HA 0.025 4.375 4.350 -0.000 0.000 0.267 424 T C 0.740 175.423 174.700 -0.028 0.000 1.059 424 T CA 1.089 63.176 62.100 -0.022 0.000 1.137 424 T CB 0.092 68.951 68.868 -0.014 0.000 0.879 424 T HN 0.601 nan 8.240 nan 0.000 0.467 425 S N -1.872 113.810 115.700 -0.030 0.000 2.615 425 S HA 0.390 4.860 4.470 -0.000 0.000 0.268 425 S C 0.636 175.196 174.600 -0.066 0.000 1.146 425 S CA -0.108 58.067 58.200 -0.042 0.000 0.818 425 S CB 0.989 64.169 63.200 -0.032 0.000 1.111 425 S HN -0.007 nan 8.310 nan 0.000 0.465 426 T N 1.594 116.091 114.554 -0.095 0.000 2.684 426 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 426 T C 0.971 175.429 174.700 -0.403 0.000 1.036 426 T CA 2.098 64.073 62.100 -0.209 0.000 1.148 426 T CB -0.778 67.994 68.868 -0.161 0.000 0.863 426 T HN 0.696 nan 8.240 nan 0.000 0.436 427 D N 0.798 121.075 120.400 -0.205 0.000 2.178 427 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 427 D C 1.898 178.141 176.300 -0.095 0.000 0.974 427 D CA 0.884 54.812 54.000 -0.120 0.000 0.841 427 D CB -0.471 40.342 40.800 0.021 0.000 0.953 427 D HN 0.368 nan 8.370 nan 0.000 0.478 428 D N 0.030 120.389 120.400 -0.067 0.000 2.104 428 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 428 D C 1.819 178.116 176.300 -0.005 0.000 0.994 428 D CA 0.646 54.631 54.000 -0.025 0.000 0.830 428 D CB -0.237 40.557 40.800 -0.010 0.000 0.959 428 D HN 0.060 nan 8.370 nan 0.000 0.452 429 F N 0.483 120.313 119.950 -0.200 0.000 2.069 429 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 429 F C 1.782 177.521 175.800 -0.101 0.000 1.113 429 F CA 1.419 59.312 58.000 -0.178 0.000 1.214 429 F CB -1.163 37.682 39.000 -0.258 0.000 0.978 429 F HN 0.030 nan 8.300 nan 0.000 0.474 430 Y N 0.878 120.913 120.300 -0.442 0.000 2.241 430 Y HA -0.199 4.351 4.550 -0.000 0.000 0.286 430 Y C 2.806 178.428 175.900 -0.463 0.000 1.166 430 Y CA 1.498 59.192 58.100 -0.677 0.000 1.203 430 Y CB -1.354 36.778 38.460 -0.547 0.000 0.977 430 Y HN 0.176 nan 8.280 nan 0.000 0.529 431 R N 0.463 120.891 120.500 -0.120 0.000 2.062 431 R HA -0.137 4.203 4.340 -0.000 0.000 0.229 431 R C 2.178 178.427 176.300 -0.086 0.000 1.128 431 R CA 1.262 57.310 56.100 -0.087 0.000 0.960 431 R CB -0.764 29.514 30.300 -0.037 0.000 0.855 431 R HN 0.382 nan 8.270 nan 0.000 0.432 432 L N 1.126 122.313 121.223 -0.060 0.000 1.989 432 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 432 L C 2.370 179.213 176.870 -0.044 0.000 1.071 432 L CA 2.517 57.344 54.840 -0.021 0.000 0.749 432 L CB -1.267 40.820 42.059 0.047 0.000 0.890 432 L HN 0.344 nan 8.230 nan 0.000 0.431 433 G N -1.017 107.716 108.800 -0.112 0.000 2.475 433 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 433 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 433 G C 1.701 176.517 174.900 -0.139 0.000 1.125 433 G CA 1.075 46.091 45.100 -0.140 0.000 0.755 433 G HN 0.445 nan 8.290 nan 0.000 0.565 434 K N 0.093 120.390 120.400 -0.172 0.000 2.031 434 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 434 K C 2.423 178.977 176.600 -0.077 0.000 1.049 434 K CA 1.052 57.258 56.287 -0.136 0.000 0.939 434 K CB -0.131 32.278 32.500 -0.152 0.000 0.717 434 K HN 0.351 nan 8.250 nan 0.000 0.438 435 E N 1.048 121.213 120.200 -0.059 0.000 2.021 435 E HA -0.219 4.131 4.350 -0.000 0.000 0.200 435 E C 2.048 178.632 176.600 -0.027 0.000 1.015 435 E CA 1.360 57.740 56.400 -0.033 0.000 0.824 435 E CB -0.196 29.490 29.700 -0.022 0.000 0.762 435 E HN 0.181 nan 8.360 nan 0.000 0.454 436 L N 0.523 121.734 121.223 -0.020 0.000 2.051 436 L HA -0.290 4.050 4.340 -0.000 0.000 0.214 436 L C 2.617 179.474 176.870 -0.022 0.000 1.076 436 L CA 1.140 55.974 54.840 -0.010 0.000 0.758 436 L CB -0.684 41.380 42.059 0.008 0.000 0.890 436 L HN 0.209 nan 8.230 nan 0.000 0.433 437 A N 0.149 122.946 122.820 -0.037 0.000 1.883 437 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 437 A C 2.263 179.803 177.584 -0.074 0.000 1.186 437 A CA 1.717 53.723 52.037 -0.052 0.000 0.624 437 A CB -0.703 18.261 19.000 -0.061 0.000 0.822 437 A HN 0.361 nan 8.150 nan 0.000 0.444 438 L N -1.126 120.059 121.223 -0.064 0.000 2.005 438 L HA -0.233 4.107 4.340 -0.000 0.000 0.207 438 L C 2.930 179.776 176.870 -0.041 0.000 1.072 438 L CA 1.639 56.442 54.840 -0.061 0.000 0.744 438 L CB -0.582 41.459 42.059 -0.031 0.000 0.895 438 L HN 0.467 nan 8.230 nan 0.000 0.433 439 Q N -0.569 119.218 119.800 -0.023 0.000 2.234 439 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 439 Q C 2.187 178.181 176.000 -0.010 0.000 0.980 439 Q CA 1.765 57.563 55.803 -0.008 0.000 0.869 439 Q CB -0.170 28.566 28.738 -0.002 0.000 0.912 439 Q HN 0.558 nan 8.270 nan 0.000 0.436 440 S N -0.924 114.762 115.700 -0.023 0.000 2.607 440 S HA 0.075 4.545 4.470 -0.000 0.000 0.224 440 S C 1.478 176.062 174.600 -0.026 0.000 0.969 440 S CA 0.464 58.653 58.200 -0.018 0.000 0.927 440 S CB -0.003 63.186 63.200 -0.019 0.000 0.772 440 S HN 0.521 nan 8.310 nan 0.000 0.533 441 G N 1.260 110.030 108.800 -0.050 0.000 2.200 441 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 441 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 441 G C 0.574 175.409 174.900 -0.110 0.000 0.993 441 G CA 0.826 45.900 45.100 -0.045 0.000 0.701 441 G HN 0.594 nan 8.290 nan 0.000 0.524 442 L N -0.921 120.222 121.223 -0.133 0.000 2.418 442 L HA 0.468 4.808 4.340 -0.000 0.000 0.218 442 L C 1.572 178.321 176.870 -0.202 0.000 1.125 442 L CA 1.032 55.808 54.840 -0.107 0.000 0.835 442 L CB -0.268 41.760 42.059 -0.051 0.000 0.953 442 L HN 0.597 nan 8.230 nan 0.000 0.454 443 A N -1.633 120.941 122.820 -0.410 0.000 2.593 443 A HA 0.727 5.047 4.320 -0.000 0.000 0.290 443 A C -1.429 175.641 177.584 -0.858 0.000 1.126 443 A CA -0.514 51.258 52.037 -0.443 0.000 0.695 443 A CB 1.147 20.040 19.000 -0.178 0.000 1.290 443 A HN 0.195 nan 8.150 nan 0.000 0.414 444 H N 0.174 119.248 119.070 0.007 0.000 2.949 444 H HA 0.436 4.992 4.556 -0.000 0.000 0.356 444 H C -0.664 174.666 175.328 0.003 0.000 1.212 444 H CA -0.998 55.053 56.048 0.005 0.000 1.136 444 H CB 1.016 30.782 29.762 0.006 0.000 1.869 444 H HN 0.543 nan 8.280 nan 0.000 0.556 445 K N 0.998 121.478 120.400 0.133 0.000 2.530 445 K HA 0.101 4.421 4.320 -0.000 0.000 0.280 445 K C 0.785 177.424 176.600 0.066 0.000 1.004 445 K CA 1.260 57.589 56.287 0.070 0.000 1.071 445 K CB 0.168 32.701 32.500 0.054 0.000 0.876 445 K HN 1.019 nan 8.250 nan 0.000 0.487 446 G N 2.559 111.383 108.800 0.040 0.000 2.175 446 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 446 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 446 G C -0.242 174.676 174.900 0.030 0.000 0.982 446 G CA -0.132 44.987 45.100 0.032 0.000 0.641 446 G HN 0.630 nan 8.290 nan 0.000 0.527 447 D N 0.382 120.803 120.400 0.035 0.000 2.302 447 D HA 0.494 5.134 4.640 -0.000 0.000 0.248 447 D C 0.788 177.095 176.300 0.012 0.000 1.094 447 D CA -0.194 53.822 54.000 0.027 0.000 0.897 447 D CB 1.889 42.706 40.800 0.029 0.000 1.200 447 D HN 0.110 nan 8.370 nan 0.000 0.429 448 V N 2.042 121.961 119.914 0.009 0.000 2.649 448 V HA 0.253 4.373 4.120 -0.000 0.000 0.292 448 V C 0.467 176.564 176.094 0.004 0.000 1.055 448 V CA -0.319 61.983 62.300 0.002 0.000 1.023 448 V CB 1.712 33.531 31.823 -0.006 0.000 0.992 448 V HN 0.222 nan 8.190 nan 0.000 0.480 449 V N 4.854 124.773 119.914 0.008 0.000 2.789 449 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 449 V C -0.584 175.523 176.094 0.020 0.000 1.073 449 V CA -0.460 61.846 62.300 0.010 0.000 0.921 449 V CB 2.595 34.416 31.823 -0.003 0.000 1.009 449 V HN 0.609 nan 8.190 nan 0.000 0.426 450 V N 6.448 126.378 119.914 0.027 0.000 2.398 450 V HA 0.526 4.646 4.120 -0.000 0.000 0.286 450 V C -0.030 176.108 176.094 0.073 0.000 1.026 450 V CA -0.415 61.904 62.300 0.032 0.000 0.868 450 V CB 1.616 33.456 31.823 0.029 0.000 0.982 450 V HN 0.774 nan 8.190 nan 0.000 0.443 451 M N 5.206 124.863 119.600 0.095 0.000 2.227 451 M HA 0.625 5.105 4.480 -0.000 0.000 0.335 451 M C -1.099 175.423 176.300 0.371 0.000 1.053 451 M CA -0.630 54.786 55.300 0.194 0.000 0.973 451 M CB 1.992 34.599 32.600 0.012 0.000 1.623 451 M HN 0.345 nan 8.290 nan 0.000 0.434 452 V N 2.118 122.302 119.914 0.451 0.000 2.769 452 V HA 0.845 4.965 4.120 -0.000 0.000 0.312 452 V C -0.183 176.072 176.094 0.269 0.000 1.061 452 V CA -0.252 62.243 62.300 0.325 0.000 0.931 452 V CB 2.236 34.168 31.823 0.181 0.000 1.010 452 V HN 1.122 nan 8.190 nan 0.000 0.433 453 S N 2.028 117.816 115.700 0.146 0.000 2.680 453 S HA 0.702 5.172 4.470 -0.000 0.000 0.276 453 S C -0.498 174.102 174.600 0.001 0.000 1.189 453 S CA -0.211 57.960 58.200 -0.048 0.000 0.909 453 S CB 1.249 64.357 63.200 -0.154 0.000 1.227 453 S HN 1.349 nan 8.310 nan 0.000 0.501 454 G N -0.154 108.615 108.800 -0.051 0.000 2.417 454 G HA2 0.761 4.721 3.960 -0.000 0.000 0.320 454 G HA3 0.761 4.721 3.960 -0.000 0.000 0.320 454 G C -0.577 174.305 174.900 -0.030 0.000 1.204 454 G CA -0.366 44.717 45.100 -0.028 0.000 0.923 454 G HN 1.282 nan 8.290 nan 0.000 0.466 455 A N 2.843 125.662 122.820 -0.001 0.000 2.330 455 A HA 0.675 4.995 4.320 -0.000 0.000 0.313 455 A C 0.584 178.167 177.584 -0.002 0.000 1.124 455 A CA -0.664 51.371 52.037 -0.002 0.000 0.774 455 A CB 0.426 19.441 19.000 0.024 0.000 1.198 455 A HN 1.485 nan 8.150 nan 0.000 0.465 456 L N 1.184 122.400 121.223 -0.011 0.000 3.795 456 L HA -0.203 4.137 4.340 -0.000 0.000 0.489 456 L C -0.217 176.649 176.870 -0.008 0.000 1.259 456 L CA 0.399 55.233 54.840 -0.009 0.000 0.765 456 L CB -2.374 39.684 42.059 -0.002 0.000 1.519 456 L HN 0.907 nan 8.230 nan 0.000 0.842 457 V N -2.457 117.449 119.914 -0.013 0.000 2.969 457 V HA 0.780 4.900 4.120 -0.000 0.000 0.304 457 V C -1.894 174.188 176.094 -0.019 0.000 1.192 457 V CA -1.485 60.807 62.300 -0.012 0.000 0.962 457 V CB 1.642 33.461 31.823 -0.007 0.000 1.045 457 V HN 0.146 nan 8.190 nan 0.000 0.428 458 P HA 0.260 nan 4.420 nan 0.000 0.271 458 P C 0.171 177.456 177.300 -0.025 0.000 1.233 458 P CA 0.077 63.163 63.100 -0.022 0.000 0.789 458 P CB 0.479 32.168 31.700 -0.018 0.000 0.951 459 S N -0.747 114.936 115.700 -0.030 0.000 2.558 459 S HA 0.332 4.802 4.470 -0.000 0.000 0.287 459 S C 1.342 175.929 174.600 -0.022 0.000 1.321 459 S CA 0.341 58.523 58.200 -0.031 0.000 1.048 459 S CB -0.319 62.861 63.200 -0.033 0.000 0.844 459 S HN 1.070 nan 8.310 nan 0.000 0.512 460 G N 0.916 109.704 108.800 -0.020 0.000 2.163 460 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.213 460 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.213 460 G C -0.053 174.843 174.900 -0.007 0.000 0.991 460 G CA -0.111 44.981 45.100 -0.012 0.000 0.653 460 G HN 1.106 nan 8.290 nan 0.000 0.518 461 T N 0.544 115.093 114.554 -0.008 0.000 2.881 461 T HA 0.627 4.977 4.350 -0.000 0.000 0.290 461 T C -0.587 174.113 174.700 0.001 0.000 1.000 461 T CA -0.250 61.850 62.100 0.000 0.000 0.978 461 T CB 2.259 71.127 68.868 -0.000 0.000 0.997 461 T HN 0.216 nan 8.240 nan 0.000 0.443 462 T N 3.543 118.105 114.554 0.014 0.000 2.815 462 T HA 0.416 4.766 4.350 -0.000 0.000 0.289 462 T C 0.641 175.362 174.700 0.034 0.000 1.000 462 T CA -0.849 61.264 62.100 0.021 0.000 0.958 462 T CB 0.454 69.340 68.868 0.031 0.000 0.944 462 T HN 0.750 nan 8.240 nan 0.000 0.442 463 N N 0.800 119.522 118.700 0.037 0.000 2.143 463 N HA 0.081 4.821 4.740 -0.000 0.000 0.229 463 N C -0.592 174.954 175.510 0.061 0.000 1.294 463 N CA -0.420 52.655 53.050 0.042 0.000 0.883 463 N CB 0.897 39.402 38.487 0.030 0.000 1.148 463 N HN 0.369 nan 8.380 nan 0.000 0.511 464 T N 0.521 115.126 114.554 0.085 0.000 2.921 464 T HA 0.796 5.146 4.350 -0.000 0.000 0.297 464 T C -1.259 173.541 174.700 0.167 0.000 1.013 464 T CA -0.580 61.597 62.100 0.129 0.000 0.990 464 T CB 1.918 70.880 68.868 0.157 0.000 1.023 464 T HN 0.345 nan 8.240 nan 0.000 0.447 465 A N 1.942 124.847 122.820 0.142 0.000 2.393 465 A HA 0.876 5.196 4.320 -0.000 0.000 0.306 465 A C -0.448 177.176 177.584 0.067 0.000 1.050 465 A CA -0.809 51.298 52.037 0.116 0.000 0.724 465 A CB 1.747 20.784 19.000 0.062 0.000 1.248 465 A HN 0.686 nan 8.150 nan 0.000 0.424 466 S N 1.492 117.199 115.700 0.012 0.000 2.614 466 S HA 0.585 5.055 4.470 -0.000 0.000 0.288 466 S C -0.987 173.455 174.600 -0.264 0.000 1.137 466 S CA -0.388 57.685 58.200 -0.212 0.000 0.992 466 S CB 1.142 64.038 63.200 -0.505 0.000 1.026 466 S HN 0.926 nan 8.310 nan 0.000 0.486 467 V N 6.610 126.315 119.914 -0.348 0.000 2.509 467 V HA 0.555 4.675 4.120 -0.000 0.000 0.284 467 V C -0.108 175.694 176.094 -0.487 0.000 1.047 467 V CA -0.276 61.858 62.300 -0.277 0.000 0.952 467 V CB 1.035 32.751 31.823 -0.179 0.000 0.988 467 V HN 0.865 nan 8.190 nan 0.000 0.469 468 H N 2.028 121.006 119.070 -0.155 0.000 2.980 468 H HA 0.548 5.104 4.556 0.000 0.000 0.367 468 H C -1.273 174.001 175.328 -0.090 0.000 1.206 468 H CA -0.613 55.350 56.048 -0.142 0.000 1.126 468 H CB 2.518 32.175 29.762 -0.175 0.000 1.838 468 H HN 0.389 nan 8.280 nan 0.000 0.552 469 V N 3.385 123.335 119.914 0.059 0.000 2.427 469 V HA 0.187 4.307 4.120 -0.000 0.000 0.286 469 V C 0.841 176.950 176.094 0.025 0.000 1.034 469 V CA -0.608 61.708 62.300 0.025 0.000 0.893 469 V CB 1.459 33.286 31.823 0.008 0.000 0.982 469 V HN 0.456 nan 8.190 nan 0.000 0.452 470 L N 0.000 121.230 121.223 0.011 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 470 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 470 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502