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 3bso_1_A DATA FIRST_RESID 5 DATA SEQUENCE KGTYCGAPIL GPGSAPKLST KTKFWRSSTA PLPPGTYEPA YLGGKDPRVK DATA SEQUENCE GGPSLQQVMR DQLKPFTEPR GKPPKPSVLE AAKKTIINVL EQTIDPPDKW DATA SEQUENCE SFAQACASLD KTTSSGHPHH MRKNDCWNGE SFTGKLADQA SKANLMFEEG DATA SEQUENCE KNMTPVYTGA LKDELVKTDK IYGKIKKRLL WGSDLATMIR CARAFGGLMD DATA SEQUENCE ELKTHCVTLP IRVGMNMNED GPIIFERHSR YRYHYDADYS RWDSTQQRAV DATA SEQUENCE LAAALEIMVK FSSEPHLAQV VAEDLLSPSV VDVGDFTISI NEGLPSGVPC DATA SEQUENCE TSQWNSIAHW LLTLCALSEV TNLSPDIIQA NSLFSFYGDD EIVSTDIKLD DATA SEQUENCE PEKLTAKLKE YGLKPTRPDK TEGPLVISED LNGLTFLRRT VTRDPAGWFG DATA SEQUENCE KLEQSSILRQ MYWTRGPNHE DPSETMIPHS QRPIQLMSLL GEAALHGPAF DATA SEQUENCE YSKISKLVIA ELXXXXXDFY VPRQEPMFRW MRFS 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.590 176.600 -0.017 0.000 0.988 5 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 5 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 6 G N 1.813 110.603 108.800 -0.018 0.000 2.915 6 G HA2 0.329 4.293 3.960 0.007 0.000 0.298 6 G HA3 0.329 4.293 3.960 0.007 0.000 0.298 6 G C -0.828 174.039 174.900 -0.055 0.000 0.837 6 G CA 0.024 45.102 45.100 -0.037 0.000 1.752 6 G HN 0.455 nan 8.290 nan 0.000 0.526 7 T N 0.917 115.431 114.554 -0.066 0.000 2.876 7 T HA 0.530 4.884 4.350 0.007 0.000 0.289 7 T C -1.817 172.852 174.700 -0.051 0.000 1.014 7 T CA -0.446 61.623 62.100 -0.051 0.000 0.986 7 T CB 1.387 70.234 68.868 -0.035 0.000 1.021 7 T HN 0.318 nan 8.240 nan 0.000 0.458 8 Y N 2.470 122.649 120.300 -0.202 0.000 2.331 8 Y HA 0.357 4.912 4.550 0.008 0.000 0.326 8 Y C 0.533 176.365 175.900 -0.113 0.000 1.020 8 Y CA -0.840 57.126 58.100 -0.225 0.000 1.136 8 Y CB 0.515 38.760 38.460 -0.358 0.000 1.157 8 Y HN 0.918 nan 8.280 nan 0.000 0.444 9 C N 3.907 122.978 119.300 -0.382 0.000 4.259 9 C HA -0.148 4.316 4.460 0.007 0.000 0.294 9 C C 1.566 176.503 174.990 -0.088 0.000 1.459 9 C CA 1.383 60.256 59.018 -0.242 0.000 2.016 9 C CB -2.157 25.447 27.740 -0.227 0.000 1.274 9 C HN 1.836 nan 8.230 nan 0.000 0.792 10 G N -1.664 107.096 108.800 -0.067 0.000 2.141 10 G HA2 0.250 4.214 3.960 0.007 0.000 0.242 10 G HA3 0.250 4.214 3.960 0.007 0.000 0.242 10 G C -0.140 174.763 174.900 0.005 0.000 0.982 10 G CA 0.508 45.593 45.100 -0.025 0.000 0.662 10 G HN 2.309 nan 8.290 nan 0.000 0.527 11 A N -0.046 122.786 122.820 0.019 0.000 2.355 11 A HA 0.891 5.216 4.320 0.007 0.000 0.324 11 A C -2.622 174.980 177.584 0.030 0.000 1.117 11 A CA -1.730 50.333 52.037 0.043 0.000 0.785 11 A CB 1.608 20.654 19.000 0.077 0.000 1.254 11 A HN 0.048 nan 8.150 nan 0.000 0.453 12 P HA 0.173 nan 4.420 nan 0.000 0.267 12 P C -0.711 176.592 177.300 0.006 0.000 1.205 12 P CA 0.427 63.534 63.100 0.012 0.000 0.765 12 P CB 0.219 31.931 31.700 0.020 0.000 0.828 13 I N 4.187 124.743 120.570 -0.023 0.000 2.379 13 I HA 0.058 4.232 4.170 0.007 0.000 0.290 13 I C 1.548 177.673 176.117 0.012 0.000 1.063 13 I CA -0.024 61.255 61.300 -0.035 0.000 1.351 13 I CB 0.475 38.403 38.000 -0.119 0.000 1.410 13 I HN 0.313 nan 8.210 nan 0.000 0.505 14 L N 6.110 127.351 121.223 0.030 0.000 2.446 14 L HA 0.304 4.648 4.340 0.007 0.000 0.219 14 L C 1.099 177.994 176.870 0.042 0.000 1.116 14 L CA 0.241 55.100 54.840 0.032 0.000 0.844 14 L CB -0.340 41.735 42.059 0.027 0.000 0.970 14 L HN 0.894 nan 8.230 nan 0.000 0.457 15 G N -0.727 108.114 108.800 0.068 0.000 2.350 15 G HA2 0.074 4.038 3.960 0.007 0.000 0.276 15 G HA3 0.074 4.038 3.960 0.007 0.000 0.276 15 G C -3.055 171.901 174.900 0.095 0.000 1.313 15 G CA -0.767 44.378 45.100 0.075 0.000 0.903 15 G HN -0.269 nan 8.290 nan 0.000 0.490 16 P HA 0.479 nan 4.420 nan 0.000 0.274 16 P C 0.351 177.622 177.300 -0.049 0.000 1.246 16 P CA 0.356 63.428 63.100 -0.047 0.000 0.795 16 P CB 1.225 32.888 31.700 -0.062 0.000 1.006 17 G N -0.706 108.022 108.800 -0.119 0.000 2.461 17 G HA2 0.454 4.418 3.960 0.007 0.000 0.329 17 G HA3 0.454 4.418 3.960 0.007 0.000 0.329 17 G C 0.268 175.133 174.900 -0.057 0.000 1.170 17 G CA -0.514 44.540 45.100 -0.076 0.000 0.935 17 G HN 0.539 nan 8.290 nan 0.000 0.492 18 S N -1.418 114.283 115.700 0.001 0.000 2.893 18 S HA 0.523 4.997 4.470 0.007 0.000 0.258 18 S C 0.815 175.391 174.600 -0.040 0.000 1.034 18 S CA 0.477 58.684 58.200 0.010 0.000 1.167 18 S CB 0.155 63.403 63.200 0.080 0.000 1.137 18 S HN 1.172 nan 8.310 nan 0.000 0.650 19 A N 2.944 125.705 122.820 -0.099 0.000 2.462 19 A HA 0.609 4.933 4.320 0.007 0.000 0.243 19 A C -2.281 175.130 177.584 -0.289 0.000 1.076 19 A CA -0.940 50.903 52.037 -0.324 0.000 0.773 19 A CB -0.718 18.168 19.000 -0.189 0.000 1.010 19 A HN 0.369 nan 8.150 nan 0.000 0.493 20 P HA 0.074 nan 4.420 nan 0.000 0.267 20 P C -0.268 176.951 177.300 -0.136 0.000 1.201 20 P CA 0.091 63.074 63.100 -0.196 0.000 0.775 20 P CB 0.382 31.979 31.700 -0.171 0.000 0.854 21 K N 1.395 121.739 120.400 -0.094 0.000 2.380 21 K HA 0.103 4.427 4.320 0.007 0.000 0.267 21 K C -0.024 176.540 176.600 -0.061 0.000 0.990 21 K CA -0.585 55.658 56.287 -0.074 0.000 0.946 21 K CB 0.034 32.498 32.500 -0.060 0.000 0.937 21 K HN 0.255 nan 8.250 nan 0.000 0.491 22 L N 1.872 123.063 121.223 -0.052 0.000 2.540 22 L HA -0.041 4.303 4.340 0.007 0.000 0.276 22 L C 0.792 177.638 176.870 -0.039 0.000 1.212 22 L CA 0.735 55.550 54.840 -0.041 0.000 0.893 22 L CB 0.551 42.591 42.059 -0.032 0.000 1.138 22 L HN 0.582 nan 8.230 nan 0.000 0.491 23 S N 1.352 117.033 115.700 -0.032 0.000 2.533 23 S HA 0.141 4.615 4.470 0.007 0.000 0.282 23 S C 1.021 175.590 174.600 -0.051 0.000 1.304 23 S CA 0.051 58.232 58.200 -0.031 0.000 1.063 23 S CB 0.278 63.470 63.200 -0.014 0.000 0.881 23 S HN 0.782 nan 8.310 nan 0.000 0.493 24 T N 1.862 116.379 114.554 -0.062 0.000 3.186 24 T HA 0.395 4.749 4.350 0.007 0.000 0.257 24 T C 0.151 174.790 174.700 -0.102 0.000 1.029 24 T CA -0.314 61.726 62.100 -0.100 0.000 0.916 24 T CB -0.160 68.646 68.868 -0.103 0.000 1.041 24 T HN 0.517 nan 8.240 nan 0.000 0.562 25 K N 0.383 120.744 120.400 -0.064 0.000 2.306 25 K HA 0.705 5.029 4.320 0.007 0.000 0.236 25 K C -0.767 175.821 176.600 -0.021 0.000 1.013 25 K CA -0.840 55.416 56.287 -0.052 0.000 0.857 25 K CB 2.115 34.610 32.500 -0.008 0.000 1.214 25 K HN 0.058 nan 8.250 nan 0.000 0.449 26 T N -0.200 114.356 114.554 0.003 0.000 2.906 26 T HA 0.229 4.583 4.350 0.007 0.000 0.295 26 T C -0.121 174.669 174.700 0.150 0.000 1.061 26 T CA -0.784 61.363 62.100 0.078 0.000 1.000 26 T CB 0.971 69.893 68.868 0.090 0.000 1.103 26 T HN 0.685 nan 8.240 nan 0.000 0.486 27 K N 2.124 122.552 120.400 0.046 0.000 2.404 27 K HA 0.200 4.524 4.320 0.007 0.000 0.194 27 K C -0.508 176.110 176.600 0.032 0.000 1.023 27 K CA -0.115 56.179 56.287 0.012 0.000 1.094 27 K CB 0.008 32.400 32.500 -0.180 0.000 0.841 27 K HN 0.340 nan 8.250 nan 0.000 0.523 28 F N 1.376 121.492 119.950 0.277 0.000 2.404 28 F HA 0.334 4.865 4.527 0.007 0.000 0.345 28 F C -0.397 175.750 175.800 0.577 0.000 1.110 28 F CA -0.769 57.440 58.000 0.348 0.000 1.130 28 F CB 0.557 39.532 39.000 -0.042 0.000 1.129 28 F HN -0.049 nan 8.300 nan 0.000 0.500 29 W N 3.100 124.794 121.300 0.657 0.000 2.785 29 W HA 0.555 5.218 4.660 0.006 0.000 0.333 29 W C -0.284 176.573 176.519 0.564 0.000 1.062 29 W CA -1.134 56.552 57.345 0.568 0.000 1.233 29 W CB 0.832 30.399 29.460 0.179 0.000 1.413 29 W HN 0.146 nan 8.180 nan 0.000 0.489 30 R N 1.194 121.995 120.500 0.502 0.000 2.570 30 R HA 0.032 4.376 4.340 0.007 0.000 0.277 30 R C 1.334 177.708 176.300 0.122 0.000 1.039 30 R CA 0.381 56.468 56.100 -0.022 0.000 1.065 30 R CB 0.672 30.876 30.300 -0.160 0.000 0.964 30 R HN 0.714 nan 8.270 nan 0.000 0.428 31 S N -0.135 115.580 115.700 0.025 0.000 2.522 31 S HA -0.037 4.437 4.470 0.007 0.000 0.227 31 S C 0.863 175.468 174.600 0.009 0.000 0.986 31 S CA 0.468 58.691 58.200 0.039 0.000 0.929 31 S CB 0.009 63.209 63.200 -0.000 0.000 0.769 31 S HN 0.701 nan 8.310 nan 0.000 0.529 32 S N 0.166 115.863 115.700 -0.006 0.000 2.703 32 S HA 0.456 4.930 4.470 0.007 0.000 0.273 32 S C 0.156 174.757 174.600 0.002 0.000 1.178 32 S CA -0.040 58.162 58.200 0.003 0.000 0.838 32 S CB 0.684 63.877 63.200 -0.012 0.000 1.178 32 S HN 0.394 nan 8.310 nan 0.000 0.494 33 T N -1.458 113.102 114.554 0.009 0.000 3.145 33 T HA 0.605 4.959 4.350 0.007 0.000 0.255 33 T C 0.773 175.475 174.700 0.004 0.000 1.039 33 T CA 0.250 62.354 62.100 0.007 0.000 0.928 33 T CB -0.552 68.326 68.868 0.017 0.000 1.029 33 T HN 1.238 nan 8.240 nan 0.000 0.554 34 A N 2.889 125.716 122.820 0.013 0.000 2.520 34 A HA 0.503 4.827 4.320 0.007 0.000 0.235 34 A C -2.123 175.472 177.584 0.018 0.000 1.065 34 A CA -1.047 51.007 52.037 0.028 0.000 0.764 34 A CB -0.404 18.631 19.000 0.058 0.000 1.002 34 A HN 0.354 nan 8.150 nan 0.000 0.502 35 P HA 0.225 nan 4.420 nan 0.000 0.271 35 P C -0.588 176.654 177.300 -0.097 0.000 1.216 35 P CA -0.099 62.979 63.100 -0.036 0.000 0.776 35 P CB 0.353 32.034 31.700 -0.031 0.000 0.881 36 L N 5.493 126.622 121.223 -0.156 0.000 2.462 36 L HA 0.164 4.508 4.340 0.007 0.000 0.272 36 L C -1.730 174.976 176.870 -0.273 0.000 1.166 36 L CA -1.639 53.015 54.840 -0.311 0.000 0.880 36 L CB -0.119 41.831 42.059 -0.182 0.000 1.142 36 L HN 0.255 nan 8.230 nan 0.000 0.473 37 P HA 0.065 nan 4.420 nan 0.000 0.266 37 P C -2.428 174.798 177.300 -0.123 0.000 1.195 37 P CA -0.793 62.175 63.100 -0.218 0.000 0.768 37 P CB -0.117 31.440 31.700 -0.238 0.000 0.838 38 P HA 0.071 nan 4.420 nan 0.000 0.265 38 P C 1.014 178.316 177.300 0.004 0.000 1.193 38 P CA 1.154 64.239 63.100 -0.026 0.000 0.765 38 P CB 0.175 31.864 31.700 -0.019 0.000 0.823 39 G N 1.579 110.403 108.800 0.041 0.000 2.217 39 G HA2 -0.231 3.733 3.960 0.007 0.000 0.246 39 G HA3 -0.231 3.733 3.960 0.007 0.000 0.246 39 G C 0.345 175.342 174.900 0.163 0.000 0.990 39 G CA 0.085 45.241 45.100 0.093 0.000 0.627 39 G HN 0.605 nan 8.290 nan 0.000 0.522 40 T N 2.315 116.939 114.554 0.116 0.000 2.902 40 T HA 0.369 4.723 4.350 0.007 0.000 0.301 40 T C 0.412 175.325 174.700 0.354 0.000 1.012 40 T CA 0.041 62.244 62.100 0.171 0.000 1.151 40 T CB 0.564 69.459 68.868 0.046 0.000 0.946 40 T HN 0.185 nan 8.240 nan 0.000 0.542 41 Y N 2.345 122.715 120.300 0.117 0.000 2.550 41 Y HA 0.196 4.750 4.550 0.006 0.000 0.343 41 Y C 1.265 177.193 175.900 0.048 0.000 1.245 41 Y CA -0.531 57.591 58.100 0.036 0.000 1.462 41 Y CB 0.193 38.616 38.460 -0.061 0.000 1.340 41 Y HN 0.641 nan 8.280 nan 0.000 0.604 42 E N 2.740 122.955 120.200 0.025 0.000 2.392 42 E HA 0.387 4.741 4.350 0.007 0.000 0.269 42 E C -2.777 173.575 176.600 -0.415 0.000 0.924 42 E CA -2.469 53.846 56.400 -0.141 0.000 0.784 42 E CB 1.866 31.656 29.700 0.151 0.000 1.292 42 E HN 0.243 nan 8.360 nan 0.000 0.447 43 P HA -0.018 nan 4.420 nan 0.000 0.265 43 P C -0.866 176.297 177.300 -0.229 0.000 1.193 43 P CA 0.197 63.041 63.100 -0.427 0.000 0.765 43 P CB 0.434 31.965 31.700 -0.283 0.000 0.823 44 A N 3.769 126.487 122.820 -0.170 0.000 2.536 44 A HA -0.009 4.316 4.320 0.007 0.000 0.234 44 A C -0.093 177.463 177.584 -0.047 0.000 1.076 44 A CA 0.010 51.991 52.037 -0.094 0.000 0.769 44 A CB -0.631 18.339 19.000 -0.049 0.000 1.020 44 A HN 0.571 nan 8.150 nan 0.000 0.508 45 Y N 0.821 121.030 120.300 -0.152 0.000 2.811 45 Y HA 0.129 4.682 4.550 0.006 0.000 0.334 45 Y C 0.676 176.518 175.900 -0.096 0.000 1.247 45 Y CA 0.734 58.749 58.100 -0.141 0.000 1.526 45 Y CB 0.244 38.623 38.460 -0.135 0.000 1.284 45 Y HN 0.444 nan 8.280 nan 0.000 0.586 46 L N 5.788 126.603 121.223 -0.680 0.000 2.693 46 L HA 0.397 4.741 4.340 0.007 0.000 0.235 46 L C 1.027 177.530 176.870 -0.611 0.000 1.127 46 L CA 0.345 54.889 54.840 -0.494 0.000 0.914 46 L CB -0.535 41.334 42.059 -0.317 0.000 1.193 46 L HN 1.046 nan 8.230 nan 0.000 0.502 47 G N -0.194 107.885 108.800 -1.202 0.000 2.447 47 G HA2 -0.157 3.807 3.960 0.007 0.000 0.220 47 G HA3 -0.157 3.807 3.960 0.007 0.000 0.220 47 G C 0.528 175.186 174.900 -0.403 0.000 1.261 47 G CA -0.439 44.280 45.100 -0.636 0.000 1.000 47 G HN 0.061 nan 8.290 nan 0.000 0.515 48 G N -0.500 108.241 108.800 -0.099 0.000 2.498 48 G HA2 0.065 4.029 3.960 0.007 0.000 0.219 48 G HA3 0.065 4.029 3.960 0.007 0.000 0.219 48 G C 1.239 176.118 174.900 -0.034 0.000 1.119 48 G CA 1.578 46.679 45.100 0.001 0.000 0.766 48 G HN 0.664 nan 8.290 nan 0.000 0.552 49 K N 0.272 120.616 120.400 -0.093 0.000 2.373 49 K HA 0.077 4.401 4.320 0.007 0.000 0.202 49 K C -0.129 176.409 176.600 -0.104 0.000 1.025 49 K CA -0.435 55.805 56.287 -0.077 0.000 1.115 49 K CB 0.520 32.977 32.500 -0.071 0.000 0.858 49 K HN 0.080 nan 8.250 nan 0.000 0.525 50 D N 2.454 122.754 120.400 -0.166 0.000 2.472 50 D HA -0.026 4.618 4.640 0.007 0.000 0.248 50 D C -1.772 174.490 176.300 -0.064 0.000 1.174 50 D CA -1.364 52.533 54.000 -0.171 0.000 0.883 50 D CB 1.323 41.950 40.800 -0.288 0.000 1.149 50 D HN -0.042 nan 8.370 nan 0.000 0.488 51 P HA -0.054 nan 4.420 nan 0.000 0.225 51 P C 0.842 178.164 177.300 0.038 0.000 1.148 51 P CA 0.906 63.999 63.100 -0.012 0.000 0.779 51 P CB 0.263 31.947 31.700 -0.027 0.000 0.780 52 R N -1.453 119.081 120.500 0.057 0.000 2.254 52 R HA 0.186 4.530 4.340 0.007 0.000 0.195 52 R C 0.024 176.436 176.300 0.187 0.000 0.957 52 R CA 0.311 56.504 56.100 0.154 0.000 1.024 52 R CB 0.404 30.805 30.300 0.168 0.000 0.952 52 R HN 0.027 nan 8.270 nan 0.000 0.484 53 V N 1.686 121.679 119.914 0.130 0.000 2.577 53 V HA 0.236 4.360 4.120 0.007 0.000 0.303 53 V C -0.592 175.575 176.094 0.122 0.000 1.042 53 V CA -1.001 61.392 62.300 0.155 0.000 0.872 53 V CB 2.084 34.043 31.823 0.228 0.000 0.998 53 V HN 0.038 nan 8.190 nan 0.000 0.423 54 K N 2.869 123.326 120.400 0.095 0.000 2.248 54 K HA 0.529 4.853 4.320 0.007 0.000 0.281 54 K C 0.972 177.609 176.600 0.063 0.000 1.054 54 K CA 0.274 56.602 56.287 0.067 0.000 0.903 54 K CB 1.370 33.900 32.500 0.050 0.000 1.077 54 K HN 1.108 nan 8.250 nan 0.000 0.474 55 G N 2.614 111.451 108.800 0.061 0.000 2.273 55 G HA2 -0.255 3.709 3.960 0.007 0.000 0.280 55 G HA3 -0.255 3.709 3.960 0.007 0.000 0.280 55 G C 0.438 175.372 174.900 0.057 0.000 1.047 55 G CA 0.113 45.244 45.100 0.051 0.000 0.869 55 G HN 0.825 nan 8.290 nan 0.000 0.502 56 G N -0.078 108.785 108.800 0.105 0.000 2.621 56 G HA2 0.704 4.668 3.960 0.007 0.000 0.271 56 G HA3 0.704 4.668 3.960 0.007 0.000 0.271 56 G C -1.031 173.931 174.900 0.103 0.000 1.236 56 G CA -0.371 44.775 45.100 0.077 0.000 0.958 56 G HN 0.370 nan 8.290 nan 0.000 0.512 57 P HA 0.172 nan 4.420 nan 0.000 0.272 57 P C 0.300 177.705 177.300 0.174 0.000 1.240 57 P CA -0.292 62.842 63.100 0.056 0.000 0.791 57 P CB 0.889 32.575 31.700 -0.024 0.000 0.978 58 S N 0.412 116.180 115.700 0.113 0.000 2.600 58 S HA 0.141 4.615 4.470 0.007 0.000 0.265 58 S C 1.549 176.226 174.600 0.128 0.000 1.325 58 S CA -0.654 57.610 58.200 0.107 0.000 1.002 58 S CB 0.010 63.247 63.200 0.063 0.000 0.921 58 S HN 0.368 nan 8.310 nan 0.000 0.554 59 L N 0.629 121.907 121.223 0.092 0.000 2.191 59 L HA -0.145 4.199 4.340 0.007 0.000 0.212 59 L C 2.744 179.651 176.870 0.063 0.000 1.103 59 L CA 1.146 56.033 54.840 0.079 0.000 0.769 59 L CB -0.649 41.422 42.059 0.019 0.000 0.908 59 L HN 0.686 nan 8.230 nan 0.000 0.438 60 Q N -0.230 119.606 119.800 0.061 0.000 2.084 60 Q HA -0.213 4.131 4.340 0.007 0.000 0.202 60 Q C 2.223 178.278 176.000 0.091 0.000 0.978 60 Q CA 1.438 57.292 55.803 0.084 0.000 0.844 60 Q CB -0.204 28.593 28.738 0.098 0.000 0.898 60 Q HN 0.484 nan 8.270 nan 0.000 0.426 61 Q N -0.481 119.361 119.800 0.069 0.000 2.084 61 Q HA -0.118 4.226 4.340 0.007 0.000 0.202 61 Q C 2.126 178.138 176.000 0.019 0.000 0.978 61 Q CA 1.502 57.327 55.803 0.036 0.000 0.844 61 Q CB -0.075 28.679 28.738 0.027 0.000 0.898 61 Q HN 0.235 nan 8.270 nan 0.000 0.426 62 V N 1.089 121.026 119.914 0.039 0.000 2.287 62 V HA -0.323 3.801 4.120 0.007 0.000 0.248 62 V C 2.259 178.366 176.094 0.022 0.000 1.053 62 V CA 2.018 64.335 62.300 0.029 0.000 1.027 62 V CB -0.532 31.337 31.823 0.076 0.000 0.646 62 V HN 0.447 nan 8.190 nan 0.000 0.447 63 M N -0.516 119.101 119.600 0.029 0.000 2.117 63 M HA -0.204 4.280 4.480 0.007 0.000 0.262 63 M C 2.471 178.777 176.300 0.009 0.000 1.065 63 M CA 1.819 57.126 55.300 0.011 0.000 1.114 63 M CB -0.213 32.392 32.600 0.009 0.000 1.361 63 M HN 0.155 nan 8.290 nan 0.000 0.408 64 R N 0.304 120.812 120.500 0.013 0.000 2.096 64 R HA -0.192 4.152 4.340 0.007 0.000 0.240 64 R C 1.690 177.963 176.300 -0.045 0.000 1.139 64 R CA 1.981 58.048 56.100 -0.055 0.000 0.952 64 R CB -0.611 29.616 30.300 -0.123 0.000 0.854 64 R HN 0.481 nan 8.270 nan 0.000 0.436 65 D N 0.038 120.423 120.400 -0.025 0.000 2.178 65 D HA -0.140 4.504 4.640 0.007 0.000 0.201 65 D C 2.018 178.330 176.300 0.020 0.000 0.980 65 D CA 1.042 55.032 54.000 -0.016 0.000 0.842 65 D CB -0.039 40.747 40.800 -0.023 0.000 0.948 65 D HN 0.208 nan 8.370 nan 0.000 0.472 66 Q N -0.137 119.688 119.800 0.041 0.000 2.187 66 Q HA 0.062 4.406 4.340 0.007 0.000 0.199 66 Q C 2.526 178.648 176.000 0.202 0.000 0.957 66 Q CA 0.257 56.121 55.803 0.102 0.000 0.857 66 Q CB -0.069 28.720 28.738 0.084 0.000 0.929 66 Q HN 0.368 nan 8.270 nan 0.000 0.453 67 L N 0.458 121.754 121.223 0.121 0.000 2.179 67 L HA -0.099 4.245 4.340 0.007 0.000 0.208 67 L C 2.332 179.340 176.870 0.229 0.000 1.096 67 L CA 0.772 55.713 54.840 0.169 0.000 0.779 67 L CB -0.212 41.854 42.059 0.012 0.000 0.922 67 L HN 0.121 nan 8.230 nan 0.000 0.443 68 K N 0.211 120.672 120.400 0.101 0.000 2.020 68 K HA -0.208 4.116 4.320 0.007 0.000 0.212 68 K C -0.355 176.289 176.600 0.073 0.000 1.050 68 K CA 1.764 58.084 56.287 0.054 0.000 0.929 68 K CB -1.324 31.172 32.500 -0.007 0.000 0.714 68 K HN 0.256 nan 8.250 nan 0.000 0.443 69 P HA -0.158 nan 4.420 nan 0.000 0.218 69 P C 0.893 178.138 177.300 -0.091 0.000 1.146 69 P CA 1.271 64.342 63.100 -0.049 0.000 0.813 69 P CB -0.073 31.555 31.700 -0.119 0.000 0.778 70 F N -0.526 119.437 119.950 0.021 0.000 2.365 70 F HA -0.090 4.443 4.527 0.009 0.000 0.300 70 F C 2.120 177.927 175.800 0.011 0.000 1.090 70 F CA 1.694 59.713 58.000 0.032 0.000 1.408 70 F CB -1.064 38.022 39.000 0.144 0.000 1.060 70 F HN 0.027 nan 8.300 nan 0.000 0.534 71 T N -3.851 110.801 114.554 0.163 0.000 3.001 71 T HA 0.160 4.514 4.350 0.007 0.000 0.251 71 T C 0.566 175.281 174.700 0.026 0.000 1.040 71 T CA -0.235 61.918 62.100 0.087 0.000 0.985 71 T CB -0.247 68.664 68.868 0.072 0.000 1.011 71 T HN 0.069 nan 8.240 nan 0.000 0.509 72 E N 2.631 122.833 120.200 0.002 0.000 2.408 72 E HA 0.274 4.628 4.350 0.007 0.000 0.259 72 E C -2.434 174.145 176.600 -0.036 0.000 1.110 72 E CA -1.873 54.512 56.400 -0.025 0.000 0.929 72 E CB 0.078 29.754 29.700 -0.040 0.000 0.971 72 E HN 0.235 nan 8.360 nan 0.000 0.438 73 P HA -0.036 nan 4.420 nan 0.000 0.265 73 P C -0.523 176.742 177.300 -0.057 0.000 1.187 73 P CA 0.234 63.310 63.100 -0.040 0.000 0.766 73 P CB 0.514 32.194 31.700 -0.034 0.000 0.820 74 R N 1.486 121.950 120.500 -0.060 0.000 2.707 74 R HA 0.355 4.699 4.340 0.007 0.000 0.270 74 R C 1.196 177.458 176.300 -0.063 0.000 1.083 74 R CA -0.079 55.974 56.100 -0.080 0.000 1.182 74 R CB -0.273 29.978 30.300 -0.082 0.000 1.084 74 R HN 0.615 nan 8.270 nan 0.000 0.528 75 G N 0.634 109.394 108.800 -0.066 0.000 2.611 75 G HA2 0.084 4.048 3.960 0.007 0.000 0.273 75 G HA3 0.084 4.048 3.960 0.007 0.000 0.273 75 G C -0.494 174.401 174.900 -0.009 0.000 1.305 75 G CA -0.510 44.574 45.100 -0.027 0.000 1.010 75 G HN 0.299 nan 8.290 nan 0.000 0.509 76 K N 1.156 121.578 120.400 0.036 0.000 2.350 76 K HA 0.172 4.496 4.320 0.007 0.000 0.279 76 K C -2.216 174.413 176.600 0.048 0.000 1.027 76 K CA -1.051 55.266 56.287 0.049 0.000 0.969 76 K CB 0.963 33.510 32.500 0.077 0.000 0.954 76 K HN 0.169 nan 8.250 nan 0.000 0.474 77 P HA 0.098 nan 4.420 nan 0.000 0.271 77 P C -2.501 174.730 177.300 -0.115 0.000 1.218 77 P CA -1.236 61.800 63.100 -0.106 0.000 0.780 77 P CB -0.008 31.641 31.700 -0.085 0.000 0.901 78 P HA 0.033 nan 4.420 nan 0.000 0.266 78 P C -0.172 177.082 177.300 -0.077 0.000 1.195 78 P CA -0.050 62.882 63.100 -0.280 0.000 0.768 78 P CB 0.276 31.663 31.700 -0.521 0.000 0.838 79 K N 5.194 125.607 120.400 0.021 0.000 2.473 79 K HA -0.080 4.244 4.320 0.007 0.000 0.277 79 K C -1.519 175.075 176.600 -0.012 0.000 1.052 79 K CA -0.654 55.643 56.287 0.017 0.000 1.114 79 K CB -0.112 32.414 32.500 0.043 0.000 0.869 79 K HN 0.283 nan 8.250 nan 0.000 0.481 80 P HA -0.273 nan 4.420 nan 0.000 0.216 80 P C 1.070 178.359 177.300 -0.018 0.000 1.154 80 P CA 1.811 64.896 63.100 -0.026 0.000 0.865 80 P CB 0.120 31.809 31.700 -0.019 0.000 0.789 81 S N -0.980 114.717 115.700 -0.005 0.000 2.383 81 S HA -0.134 4.340 4.470 0.007 0.000 0.227 81 S C 1.997 176.599 174.600 0.004 0.000 1.026 81 S CA 1.532 59.732 58.200 0.000 0.000 0.981 81 S CB -1.907 61.297 63.200 0.007 0.000 0.818 81 S HN 0.166 nan 8.310 nan 0.000 0.472 82 V N -0.329 119.591 119.914 0.011 0.000 2.453 82 V HA 0.083 4.207 4.120 0.007 0.000 0.247 82 V C 2.302 178.397 176.094 0.002 0.000 1.048 82 V CA 1.182 63.495 62.300 0.021 0.000 1.049 82 V CB -1.088 30.764 31.823 0.049 0.000 0.672 82 V HN 0.395 nan 8.190 nan 0.000 0.457 83 L N 1.108 122.315 121.223 -0.027 0.000 2.046 83 L HA -0.048 4.296 4.340 0.007 0.000 0.208 83 L C 2.520 179.365 176.870 -0.042 0.000 1.077 83 L CA 2.532 57.340 54.840 -0.053 0.000 0.747 83 L CB -0.954 41.054 42.059 -0.085 0.000 0.896 83 L HN 0.532 nan 8.230 nan 0.000 0.432 84 E N -0.046 120.136 120.200 -0.031 0.000 2.085 84 E HA -0.191 4.163 4.350 0.007 0.000 0.194 84 E C 2.093 178.681 176.600 -0.021 0.000 0.994 84 E CA 1.664 58.048 56.400 -0.026 0.000 0.801 84 E CB -0.414 29.275 29.700 -0.018 0.000 0.743 84 E HN 0.536 nan 8.360 nan 0.000 0.453 85 A N 0.663 123.478 122.820 -0.008 0.000 1.930 85 A HA 0.004 4.328 4.320 0.007 0.000 0.217 85 A C 2.438 180.020 177.584 -0.003 0.000 1.175 85 A CA 2.010 54.048 52.037 0.002 0.000 0.627 85 A CB -0.975 18.036 19.000 0.019 0.000 0.815 85 A HN 0.385 nan 8.150 nan 0.000 0.443 86 A N -0.060 122.755 122.820 -0.009 0.000 1.902 86 A HA -0.178 4.146 4.320 0.007 0.000 0.217 86 A C 2.135 179.659 177.584 -0.099 0.000 1.181 86 A CA 2.008 54.028 52.037 -0.029 0.000 0.623 86 A CB -0.491 18.497 19.000 -0.019 0.000 0.818 86 A HN 0.560 nan 8.150 nan 0.000 0.443 87 K N 0.004 120.351 120.400 -0.088 0.000 2.032 87 K HA -0.211 4.113 4.320 0.007 0.000 0.209 87 K C 2.006 178.554 176.600 -0.087 0.000 1.048 87 K CA 1.896 58.123 56.287 -0.101 0.000 0.927 87 K CB -0.208 32.254 32.500 -0.063 0.000 0.712 87 K HN 0.460 nan 8.250 nan 0.000 0.441 88 K N -0.286 120.085 120.400 -0.050 0.000 2.097 88 K HA -0.089 4.235 4.320 0.007 0.000 0.206 88 K C 2.141 178.725 176.600 -0.026 0.000 1.049 88 K CA 1.832 58.104 56.287 -0.026 0.000 0.933 88 K CB -0.134 32.361 32.500 -0.010 0.000 0.717 88 K HN 0.219 nan 8.250 nan 0.000 0.442 89 T N 1.881 116.413 114.554 -0.037 0.000 2.684 89 T HA -0.124 4.230 4.350 0.007 0.000 0.267 89 T C 1.920 176.566 174.700 -0.090 0.000 1.036 89 T CA 1.249 63.338 62.100 -0.019 0.000 1.148 89 T CB -0.217 68.668 68.868 0.028 0.000 0.863 89 T HN 0.139 nan 8.240 nan 0.000 0.436 90 I N 0.547 120.944 120.570 -0.288 0.000 2.163 90 I HA -0.155 4.019 4.170 0.007 0.000 0.243 90 I C 2.289 178.247 176.117 -0.265 0.000 1.085 90 I CA 1.340 62.277 61.300 -0.605 0.000 1.347 90 I CB -0.478 36.925 38.000 -0.996 0.000 1.044 90 I HN 0.218 nan 8.210 nan 0.000 0.408 91 I N 0.972 121.500 120.570 -0.071 0.000 2.208 91 I HA -0.342 3.832 4.170 0.007 0.000 0.245 91 I C 2.073 178.291 176.117 0.168 0.000 1.097 91 I CA 1.975 63.380 61.300 0.175 0.000 1.363 91 I CB -0.604 37.486 38.000 0.149 0.000 1.051 91 I HN 0.325 nan 8.210 nan 0.000 0.413 92 N N -0.014 118.730 118.700 0.073 0.000 2.120 92 N HA -0.144 4.600 4.740 0.007 0.000 0.188 92 N C 1.857 177.403 175.510 0.060 0.000 1.024 92 N CA 1.072 54.165 53.050 0.072 0.000 0.852 92 N CB -0.056 38.461 38.487 0.050 0.000 1.003 92 N HN 0.075 nan 8.380 nan 0.000 0.424 93 V N 1.702 121.651 119.914 0.059 0.000 2.287 93 V HA -0.230 3.894 4.120 0.007 0.000 0.248 93 V C 2.187 178.297 176.094 0.027 0.000 1.053 93 V CA 1.536 63.896 62.300 0.100 0.000 1.027 93 V CB -0.610 31.387 31.823 0.290 0.000 0.646 93 V HN 0.315 nan 8.190 nan 0.000 0.447 94 L N -0.537 120.644 121.223 -0.070 0.000 2.056 94 L HA -0.185 4.159 4.340 0.007 0.000 0.207 94 L C 2.575 179.292 176.870 -0.255 0.000 1.078 94 L CA 1.641 56.289 54.840 -0.320 0.000 0.749 94 L CB -0.679 40.864 42.059 -0.860 0.000 0.901 94 L HN 0.370 nan 8.230 nan 0.000 0.433 95 E N -0.076 120.127 120.200 0.006 0.000 2.118 95 E HA -0.272 4.082 4.350 0.007 0.000 0.195 95 E C 2.126 178.755 176.600 0.049 0.000 0.992 95 E CA 1.208 57.704 56.400 0.161 0.000 0.804 95 E CB -0.009 29.818 29.700 0.212 0.000 0.741 95 E HN 0.557 nan 8.360 nan 0.000 0.458 96 Q N -0.923 118.882 119.800 0.010 0.000 2.432 96 Q HA 0.002 4.346 4.340 0.007 0.000 0.205 96 Q C 1.326 177.290 176.000 -0.058 0.000 0.945 96 Q CA 0.905 56.703 55.803 -0.008 0.000 0.924 96 Q CB 0.649 29.391 28.738 0.007 0.000 1.016 96 Q HN 0.143 nan 8.270 nan 0.000 0.503 97 T N 0.173 114.651 114.554 -0.126 0.000 3.114 97 T HA 0.191 4.545 4.350 0.007 0.000 0.240 97 T C 0.878 175.288 174.700 -0.484 0.000 0.983 97 T CA -0.075 61.872 62.100 -0.255 0.000 1.151 97 T CB 0.268 68.998 68.868 -0.231 0.000 0.974 97 T HN 0.237 nan 8.240 nan 0.000 0.442 98 I N 0.024 120.360 120.570 -0.390 0.000 2.934 98 I HA 0.598 4.772 4.170 0.007 0.000 0.315 98 I C -0.998 175.064 176.117 -0.092 0.000 0.997 98 I CA -0.917 60.172 61.300 -0.352 0.000 1.184 98 I CB 1.048 38.917 38.000 -0.219 0.000 1.400 98 I HN -0.073 nan 8.210 nan 0.000 0.549 99 D N 1.919 122.341 120.400 0.037 0.000 2.414 99 D HA 0.420 5.064 4.640 0.007 0.000 0.241 99 D C -2.628 173.742 176.300 0.118 0.000 1.008 99 D CA -1.229 52.826 54.000 0.091 0.000 1.001 99 D CB 1.474 42.348 40.800 0.125 0.000 1.277 99 D HN 0.366 nan 8.370 nan 0.000 0.538 100 P HA 0.113 nan 4.420 nan 0.000 0.262 100 P C -2.237 175.138 177.300 0.125 0.000 1.199 100 P CA -0.545 62.628 63.100 0.122 0.000 0.763 100 P CB -0.303 31.457 31.700 0.100 0.000 0.790 101 P HA 0.137 nan 4.420 nan 0.000 0.274 101 P C -0.496 176.887 177.300 0.137 0.000 1.231 101 P CA -0.122 63.055 63.100 0.129 0.000 0.790 101 P CB 0.748 32.513 31.700 0.109 0.000 0.951 102 D N 1.519 122.023 120.400 0.173 0.000 2.399 102 D HA 0.080 4.724 4.640 0.007 0.000 0.241 102 D C 0.548 176.999 176.300 0.250 0.000 1.133 102 D CA 0.297 54.424 54.000 0.212 0.000 0.890 102 D CB 0.563 41.519 40.800 0.261 0.000 1.201 102 D HN 0.220 nan 8.370 nan 0.000 0.432 103 K N 0.920 121.458 120.400 0.230 0.000 2.355 103 K HA 0.123 4.447 4.320 0.007 0.000 0.270 103 K C -0.420 176.440 176.600 0.433 0.000 1.003 103 K CA -0.118 56.322 56.287 0.255 0.000 0.957 103 K CB 0.638 33.255 32.500 0.195 0.000 0.939 103 K HN 0.316 nan 8.250 nan 0.000 0.482 104 W N 1.614 122.938 121.300 0.041 0.000 2.475 104 W HA 0.191 4.851 4.660 0.001 0.000 0.317 104 W C 0.316 176.855 176.519 0.034 0.000 1.046 104 W CA -0.864 56.494 57.345 0.021 0.000 1.215 104 W CB 1.102 30.552 29.460 -0.016 0.000 1.335 104 W HN 0.604 nan 8.180 nan 0.000 0.471 105 S N 2.111 117.928 115.700 0.195 0.000 2.634 105 S HA 0.173 4.647 4.470 0.007 0.000 0.261 105 S C 0.912 175.637 174.600 0.208 0.000 1.271 105 S CA -0.343 57.966 58.200 0.181 0.000 0.985 105 S CB 0.580 63.850 63.200 0.117 0.000 0.968 105 S HN 0.386 nan 8.310 nan 0.000 0.568 106 F N 1.572 121.571 119.950 0.082 0.000 2.126 106 F HA -0.060 4.478 4.527 0.018 0.000 0.299 106 F C 2.465 178.315 175.800 0.084 0.000 1.096 106 F CA 1.610 59.661 58.000 0.085 0.000 1.255 106 F CB -1.239 37.818 39.000 0.095 0.000 0.997 106 F HN 0.733 nan 8.300 nan 0.000 0.479 107 A N -0.244 122.553 122.820 -0.037 0.000 1.902 107 A HA -0.220 4.104 4.320 0.007 0.000 0.217 107 A C 2.157 179.649 177.584 -0.153 0.000 1.181 107 A CA 1.758 53.702 52.037 -0.155 0.000 0.623 107 A CB -0.837 18.127 19.000 -0.060 0.000 0.818 107 A HN 0.587 nan 8.150 nan 0.000 0.443 108 Q N -0.635 119.082 119.800 -0.139 0.000 2.079 108 Q HA -0.057 4.287 4.340 0.007 0.000 0.200 108 Q C 2.458 178.306 176.000 -0.254 0.000 0.974 108 Q CA 1.305 56.941 55.803 -0.279 0.000 0.840 108 Q CB -0.403 28.078 28.738 -0.428 0.000 0.898 108 Q HN 0.678 nan 8.270 nan 0.000 0.430 109 A N 0.454 123.251 122.820 -0.038 0.000 1.865 109 A HA -0.242 4.082 4.320 0.007 0.000 0.217 109 A C 2.347 179.947 177.584 0.027 0.000 1.191 109 A CA 1.612 53.726 52.037 0.129 0.000 0.623 109 A CB -1.159 17.944 19.000 0.172 0.000 0.826 109 A HN 0.534 nan 8.150 nan 0.000 0.444 110 C N -0.994 118.252 119.300 -0.090 0.000 2.429 110 C HA 0.047 4.511 4.460 0.007 0.000 0.277 110 C C 3.314 178.175 174.990 -0.216 0.000 1.262 110 C CA 0.730 59.698 59.018 -0.083 0.000 1.733 110 C CB -1.479 26.144 27.740 -0.196 0.000 2.010 110 C HN 0.703 nan 8.230 nan 0.000 0.483 111 A N 1.285 124.031 122.820 -0.124 0.000 1.933 111 A HA -0.163 4.161 4.320 0.007 0.000 0.218 111 A C 2.298 179.771 177.584 -0.184 0.000 1.175 111 A CA 2.264 54.235 52.037 -0.110 0.000 0.628 111 A CB -0.805 18.152 19.000 -0.070 0.000 0.814 111 A HN 0.722 nan 8.150 nan 0.000 0.444 112 S N -0.403 115.210 115.700 -0.144 0.000 2.423 112 S HA 0.090 4.564 4.470 0.007 0.000 0.231 112 S C 0.785 175.369 174.600 -0.027 0.000 1.014 112 S CA 0.125 58.288 58.200 -0.062 0.000 0.965 112 S CB -0.756 62.488 63.200 0.074 0.000 0.785 112 S HN 0.399 nan 8.310 nan 0.000 0.495 113 L N 2.214 123.396 121.223 -0.068 0.000 2.452 113 L HA 0.289 4.633 4.340 0.007 0.000 0.267 113 L C 0.385 177.186 176.870 -0.114 0.000 1.188 113 L CA -0.465 54.350 54.840 -0.041 0.000 0.821 113 L CB 0.101 42.174 42.059 0.023 0.000 1.102 113 L HN 0.154 nan 8.230 nan 0.000 0.470 114 D N 2.195 122.567 120.400 -0.048 0.000 2.346 114 D HA 0.003 4.647 4.640 0.007 0.000 0.260 114 D C 0.545 176.791 176.300 -0.090 0.000 1.252 114 D CA -0.102 53.863 54.000 -0.058 0.000 0.895 114 D CB 0.970 41.770 40.800 0.000 0.000 1.097 114 D HN 0.285 nan 8.370 nan 0.000 0.489 115 K N 1.898 122.196 120.400 -0.170 0.000 2.459 115 K HA -0.022 4.302 4.320 0.007 0.000 0.193 115 K C 1.622 178.188 176.600 -0.056 0.000 1.030 115 K CA 0.401 56.580 56.287 -0.181 0.000 1.026 115 K CB -0.352 31.916 32.500 -0.387 0.000 0.809 115 K HN 0.524 nan 8.250 nan 0.000 0.504 116 T N -1.697 112.839 114.554 -0.031 0.000 3.100 116 T HA -0.002 4.352 4.350 0.007 0.000 0.253 116 T C 1.002 175.715 174.700 0.020 0.000 1.118 116 T CA 0.134 62.235 62.100 0.001 0.000 1.058 116 T CB -0.269 68.599 68.868 0.000 0.000 0.953 116 T HN 0.212 nan 8.240 nan 0.000 0.515 117 T N -0.775 113.793 114.554 0.024 0.000 2.949 117 T HA 0.621 4.975 4.350 0.007 0.000 0.287 117 T C 0.011 174.743 174.700 0.053 0.000 1.034 117 T CA -0.751 61.375 62.100 0.043 0.000 1.018 117 T CB 1.587 70.486 68.868 0.051 0.000 1.135 117 T HN 0.090 nan 8.240 nan 0.000 0.532 118 S N 0.110 115.851 115.700 0.069 0.000 2.579 118 S HA 0.197 4.671 4.470 0.007 0.000 0.275 118 S C 1.550 176.184 174.600 0.056 0.000 1.345 118 S CA -0.095 58.152 58.200 0.079 0.000 1.031 118 S CB 0.152 63.422 63.200 0.117 0.000 0.892 118 S HN 0.992 nan 8.310 nan 0.000 0.529 119 S N 3.419 119.138 115.700 0.032 0.000 2.561 119 S HA 0.325 4.799 4.470 0.007 0.000 0.225 119 S C 1.327 175.900 174.600 -0.045 0.000 0.977 119 S CA 0.369 58.553 58.200 -0.027 0.000 0.926 119 S CB -1.330 61.839 63.200 -0.052 0.000 0.769 119 S HN 1.789 nan 8.310 nan 0.000 0.533 120 G N 1.406 110.202 108.800 -0.007 0.000 2.601 120 G HA2 -0.309 3.655 3.960 0.007 0.000 0.252 120 G HA3 -0.309 3.655 3.960 0.007 0.000 0.252 120 G C -0.282 174.384 174.900 -0.390 0.000 1.294 120 G CA 0.146 45.233 45.100 -0.023 0.000 0.912 120 G HN 0.931 nan 8.290 nan 0.000 0.574 121 H N 2.654 121.493 119.070 -0.384 0.000 2.897 121 H HA 0.379 4.933 4.556 -0.003 0.000 0.347 121 H C -0.725 174.359 175.328 -0.406 0.000 1.068 121 H CA -0.040 55.723 56.048 -0.476 0.000 1.426 121 H CB 1.331 30.987 29.762 -0.177 0.000 1.410 121 H HN 0.272 nan 8.280 nan 0.000 0.597 122 P HA 0.006 nan 4.420 nan 0.000 0.264 122 P C 0.409 177.215 177.300 -0.822 0.000 1.259 122 P CA 0.757 63.096 63.100 -1.267 0.000 0.841 122 P CB 0.589 31.547 31.700 -1.236 0.000 1.232 123 H N -0.902 117.905 119.070 -0.437 0.000 2.497 123 H HA 0.070 4.622 4.556 -0.007 0.000 0.282 123 H C 0.315 175.586 175.328 -0.094 0.000 1.003 123 H CA 0.555 56.480 56.048 -0.206 0.000 1.307 123 H CB -0.667 29.012 29.762 -0.139 0.000 1.437 123 H HN 0.280 nan 8.280 nan 0.000 0.544 124 H N -0.448 118.653 119.070 0.051 0.000 2.626 124 H HA -0.145 4.420 4.556 0.016 0.000 0.317 124 H C 0.071 175.431 175.328 0.054 0.000 1.140 124 H CA 0.739 56.813 56.048 0.044 0.000 1.134 124 H CB -2.143 27.636 29.762 0.028 0.000 1.486 124 H HN 0.370 nan 8.280 nan 0.000 0.417 125 M N 0.216 119.887 119.600 0.119 0.000 2.436 125 M HA 0.273 4.757 4.480 0.007 0.000 0.331 125 M C 1.023 177.372 176.300 0.082 0.000 1.135 125 M CA -0.623 54.734 55.300 0.095 0.000 0.987 125 M CB 2.562 35.204 32.600 0.071 0.000 1.687 125 M HN 0.125 nan 8.290 nan 0.000 0.445 126 R N 2.131 122.678 120.500 0.079 0.000 2.502 126 R HA -0.003 4.341 4.340 0.007 0.000 0.292 126 R C 0.603 176.958 176.300 0.091 0.000 0.998 126 R CA 0.542 56.686 56.100 0.074 0.000 1.056 126 R CB 0.541 30.880 30.300 0.066 0.000 0.939 126 R HN 0.678 nan 8.270 nan 0.000 0.411 127 K N 2.662 123.118 120.400 0.092 0.000 2.152 127 K HA -0.232 4.092 4.320 0.007 0.000 0.206 127 K C 1.449 178.175 176.600 0.210 0.000 1.048 127 K CA 1.522 57.908 56.287 0.164 0.000 0.933 127 K CB -0.107 32.492 32.500 0.165 0.000 0.721 127 K HN 0.648 nan 8.250 nan 0.000 0.447 128 N N 0.956 119.732 118.700 0.127 0.000 2.520 128 N HA -0.119 4.625 4.740 0.007 0.000 0.185 128 N C 0.402 176.022 175.510 0.183 0.000 1.068 128 N CA 0.638 53.786 53.050 0.162 0.000 0.911 128 N CB 0.179 38.724 38.487 0.095 0.000 0.961 128 N HN 0.147 nan 8.380 nan 0.000 0.446 129 D N -0.671 119.819 120.400 0.150 0.000 2.347 129 D HA 0.069 4.713 4.640 0.007 0.000 0.213 129 D C 0.065 176.446 176.300 0.136 0.000 0.985 129 D CA 0.474 54.545 54.000 0.119 0.000 0.879 129 D CB 0.167 41.018 40.800 0.086 0.000 0.919 129 D HN 0.169 nan 8.370 nan 0.000 0.526 130 C N 1.219 120.646 119.300 0.212 0.000 3.359 130 C HA 0.274 4.738 4.460 0.007 0.000 0.194 130 C C -0.937 174.299 174.990 0.410 0.000 1.659 130 C CA -1.048 58.114 59.018 0.240 0.000 1.338 130 C CB 0.049 27.905 27.740 0.193 0.000 2.109 130 C HN 0.298 nan 8.230 nan 0.000 0.518 131 W N 3.037 124.370 121.300 0.056 0.000 3.132 131 W HA 0.273 4.933 4.660 -0.001 0.000 0.337 131 W C -0.540 175.934 176.519 -0.074 0.000 1.082 131 W CA -0.394 56.916 57.345 -0.059 0.000 1.242 131 W CB 1.274 30.672 29.460 -0.102 0.000 1.354 131 W HN 0.524 nan 8.180 nan 0.000 0.461 132 N N 3.267 121.554 118.700 -0.687 0.000 2.280 132 N HA 0.236 4.980 4.740 0.007 0.000 0.192 132 N C 1.092 176.163 175.510 -0.732 0.000 1.109 132 N CA 0.806 53.526 53.050 -0.549 0.000 0.855 132 N CB 0.665 38.934 38.487 -0.364 0.000 0.974 132 N HN 0.796 nan 8.380 nan 0.000 0.482 133 G N 0.559 108.498 108.800 -1.435 0.000 2.259 133 G HA2 -0.298 3.666 3.960 0.007 0.000 0.217 133 G HA3 -0.298 3.666 3.960 0.007 0.000 0.217 133 G C 0.648 175.050 174.900 -0.829 0.000 1.001 133 G CA 0.378 44.983 45.100 -0.825 0.000 0.627 133 G HN 0.579 nan 8.290 nan 0.000 0.501 134 E N -0.619 118.895 120.200 -1.144 0.000 2.505 134 E HA 0.385 4.739 4.350 0.007 0.000 0.212 134 E C 0.785 176.875 176.600 -0.850 0.000 0.825 134 E CA 0.833 56.792 56.400 -0.735 0.000 1.333 134 E CB 0.634 30.109 29.700 -0.374 0.000 1.319 134 E HN 1.011 nan 8.360 nan 0.000 0.658 135 S N 0.003 115.066 115.700 -1.063 0.000 2.564 135 S HA 0.586 5.060 4.470 0.007 0.000 0.274 135 S C -0.644 173.695 174.600 -0.434 0.000 1.124 135 S CA -0.944 56.918 58.200 -0.563 0.000 0.869 135 S CB 0.846 63.925 63.200 -0.201 0.000 1.105 135 S HN 0.080 nan 8.310 nan 0.000 0.472 136 F N 2.143 122.206 119.950 0.187 0.000 2.496 136 F HA 0.493 5.032 4.527 0.020 0.000 0.344 136 F C 1.618 177.477 175.800 0.097 0.000 1.155 136 F CA 0.330 58.482 58.000 0.252 0.000 1.302 136 F CB 0.920 40.072 39.000 0.253 0.000 1.159 136 F HN 0.878 nan 8.300 nan 0.000 0.595 137 T N -1.131 113.597 114.554 0.290 0.000 2.907 137 T HA 0.736 5.090 4.350 0.007 0.000 0.290 137 T C 0.429 175.188 174.700 0.098 0.000 1.066 137 T CA -0.415 61.765 62.100 0.134 0.000 1.012 137 T CB 1.305 70.212 68.868 0.065 0.000 1.184 137 T HN 1.164 nan 8.240 nan 0.000 0.522 138 G N 1.538 110.363 108.800 0.042 0.000 2.634 138 G HA2 -0.356 3.608 3.960 0.007 0.000 0.309 138 G HA3 -0.356 3.608 3.960 0.007 0.000 0.309 138 G C 0.791 175.662 174.900 -0.048 0.000 1.265 138 G CA 0.793 45.890 45.100 -0.005 0.000 0.998 138 G HN 0.970 nan 8.290 nan 0.000 0.551 139 K N 0.107 120.414 120.400 -0.154 0.000 2.211 139 K HA 0.159 4.483 4.320 0.007 0.000 0.203 139 K C 2.649 179.056 176.600 -0.321 0.000 1.050 139 K CA 1.266 57.344 56.287 -0.348 0.000 0.945 139 K CB -0.166 31.883 32.500 -0.753 0.000 0.732 139 K HN 0.410 nan 8.250 nan 0.000 0.451 140 L N 0.398 121.510 121.223 -0.185 0.000 2.156 140 L HA -0.092 4.252 4.340 0.007 0.000 0.208 140 L C 2.566 179.437 176.870 0.002 0.000 1.095 140 L CA 0.701 55.469 54.840 -0.120 0.000 0.770 140 L CB -0.610 41.394 42.059 -0.092 0.000 0.914 140 L HN 0.186 nan 8.230 nan 0.000 0.439 141 A N 0.080 122.972 122.820 0.120 0.000 1.902 141 A HA -0.272 4.052 4.320 0.007 0.000 0.217 141 A C 1.960 179.625 177.584 0.135 0.000 1.181 141 A CA 2.114 54.272 52.037 0.201 0.000 0.623 141 A CB -0.534 18.566 19.000 0.168 0.000 0.818 141 A HN 0.344 nan 8.150 nan 0.000 0.443 142 D N -1.067 119.370 120.400 0.062 0.000 2.097 142 D HA -0.182 4.462 4.640 0.007 0.000 0.195 142 D C 2.138 178.472 176.300 0.057 0.000 0.989 142 D CA 1.577 55.606 54.000 0.049 0.000 0.827 142 D CB -0.207 40.612 40.800 0.032 0.000 0.966 142 D HN 0.603 nan 8.370 nan 0.000 0.456 143 Q N -0.438 119.397 119.800 0.059 0.000 2.050 143 Q HA -0.146 4.198 4.340 0.007 0.000 0.202 143 Q C 2.021 178.049 176.000 0.046 0.000 0.980 143 Q CA 1.651 57.485 55.803 0.051 0.000 0.840 143 Q CB -0.167 28.604 28.738 0.055 0.000 0.898 143 Q HN 0.280 nan 8.270 nan 0.000 0.424 144 A N -0.071 122.796 122.820 0.079 0.000 1.877 144 A HA -0.166 4.158 4.320 0.007 0.000 0.216 144 A C 2.261 179.976 177.584 0.218 0.000 1.186 144 A CA 1.793 53.971 52.037 0.235 0.000 0.620 144 A CB -0.729 18.533 19.000 0.436 0.000 0.822 144 A HN 0.417 nan 8.150 nan 0.000 0.443 145 S N -0.550 115.220 115.700 0.116 0.000 2.356 145 S HA -0.173 4.301 4.470 0.007 0.000 0.223 145 S C 2.031 176.558 174.600 -0.122 0.000 1.032 145 S CA 1.686 59.812 58.200 -0.124 0.000 1.005 145 S CB -0.263 62.915 63.200 -0.036 0.000 0.867 145 S HN 0.667 nan 8.310 nan 0.000 0.449 146 K N 1.370 121.751 120.400 -0.031 0.000 2.032 146 K HA -0.095 4.229 4.320 0.007 0.000 0.209 146 K C 2.248 178.841 176.600 -0.012 0.000 1.048 146 K CA 1.238 57.513 56.287 -0.021 0.000 0.927 146 K CB -0.395 32.106 32.500 0.003 0.000 0.712 146 K HN 0.284 nan 8.250 nan 0.000 0.441 147 A N 1.377 124.205 122.820 0.013 0.000 1.908 147 A HA -0.265 4.059 4.320 0.007 0.000 0.218 147 A C 1.929 179.546 177.584 0.055 0.000 1.181 147 A CA 2.183 54.246 52.037 0.043 0.000 0.627 147 A CB -0.991 18.050 19.000 0.069 0.000 0.818 147 A HN 0.546 nan 8.150 nan 0.000 0.445 148 N N -0.129 118.560 118.700 -0.018 0.000 2.084 148 N HA -0.096 4.648 4.740 0.007 0.000 0.190 148 N C 1.556 177.063 175.510 -0.005 0.000 1.030 148 N CA 1.742 54.753 53.050 -0.065 0.000 0.849 148 N CB -0.397 37.736 38.487 -0.589 0.000 1.012 148 N HN 0.467 nan 8.380 nan 0.000 0.423 149 L N -0.298 120.882 121.223 -0.073 0.000 2.046 149 L HA -0.159 4.185 4.340 0.007 0.000 0.208 149 L C 2.350 179.215 176.870 -0.008 0.000 1.077 149 L CA 0.868 55.681 54.840 -0.044 0.000 0.747 149 L CB -0.430 41.594 42.059 -0.058 0.000 0.896 149 L HN 0.279 nan 8.230 nan 0.000 0.432 150 M N -1.042 118.566 119.600 0.013 0.000 2.117 150 M HA -0.227 4.257 4.480 0.007 0.000 0.262 150 M C 2.400 178.716 176.300 0.026 0.000 1.065 150 M CA 1.768 57.077 55.300 0.015 0.000 1.114 150 M CB -1.236 31.379 32.600 0.025 0.000 1.361 150 M HN 0.200 nan 8.290 nan 0.000 0.408 151 F N 1.942 121.859 119.950 -0.055 0.000 2.046 151 F HA -0.209 4.311 4.527 -0.011 0.000 0.297 151 F C 2.222 177.976 175.800 -0.077 0.000 1.123 151 F CA 1.917 59.875 58.000 -0.069 0.000 1.199 151 F CB -0.440 38.529 39.000 -0.052 0.000 0.972 151 F HN 0.239 nan 8.300 nan 0.000 0.474 152 E N -0.237 119.882 120.200 -0.136 0.000 2.160 152 E HA -0.226 4.128 4.350 0.007 0.000 0.195 152 E C 1.802 178.274 176.600 -0.214 0.000 0.991 152 E CA 1.553 57.823 56.400 -0.217 0.000 0.810 152 E CB -0.280 29.404 29.700 -0.026 0.000 0.742 152 E HN 0.635 nan 8.360 nan 0.000 0.466 153 E N -0.484 119.629 120.200 -0.146 0.000 2.479 153 E HA 0.073 4.427 4.350 0.007 0.000 0.193 153 E C 0.660 177.187 176.600 -0.122 0.000 1.049 153 E CA 0.189 56.526 56.400 -0.106 0.000 0.870 153 E CB 0.589 30.253 29.700 -0.061 0.000 0.944 153 E HN 0.299 nan 8.360 nan 0.000 0.492 154 G N 2.617 111.301 108.800 -0.194 0.000 2.295 154 G HA2 -0.319 3.645 3.960 0.007 0.000 0.287 154 G HA3 -0.319 3.645 3.960 0.007 0.000 0.287 154 G C -0.171 174.673 174.900 -0.092 0.000 1.055 154 G CA 0.472 45.468 45.100 -0.174 0.000 0.922 154 G HN 0.122 nan 8.290 nan 0.000 0.503 155 K N -0.300 120.059 120.400 -0.068 0.000 2.156 155 K HA 0.354 4.678 4.320 0.007 0.000 0.254 155 K C 0.299 176.889 176.600 -0.016 0.000 0.950 155 K CA -0.850 55.417 56.287 -0.034 0.000 0.849 155 K CB 0.945 33.430 32.500 -0.025 0.000 1.100 155 K HN 0.276 nan 8.250 nan 0.000 0.434 156 N N 1.674 120.369 118.700 -0.009 0.000 2.508 156 N HA 0.234 4.978 4.740 0.007 0.000 0.264 156 N C -0.644 174.870 175.510 0.008 0.000 1.216 156 N CA 0.389 53.441 53.050 0.002 0.000 0.943 156 N CB 0.589 39.078 38.487 0.004 0.000 1.113 156 N HN 0.244 nan 8.380 nan 0.000 0.447 157 M N 0.508 120.116 119.600 0.013 0.000 2.446 157 M HA 0.274 4.758 4.480 0.007 0.000 0.294 157 M C -0.968 175.336 176.300 0.007 0.000 1.158 157 M CA -0.755 54.551 55.300 0.010 0.000 0.899 157 M CB 2.332 34.940 32.600 0.013 0.000 1.687 157 M HN 0.359 nan 8.290 nan 0.000 0.455 158 T N 3.142 117.696 114.554 0.001 0.000 2.729 158 T HA 0.375 4.729 4.350 0.007 0.000 0.296 158 T C -2.415 172.258 174.700 -0.044 0.000 0.928 158 T CA -1.035 61.061 62.100 -0.007 0.000 1.045 158 T CB 0.068 68.933 68.868 -0.004 0.000 0.902 158 T HN 0.285 nan 8.240 nan 0.000 0.500 159 P HA 0.302 nan 4.420 nan 0.000 0.271 159 P C -1.047 176.088 177.300 -0.276 0.000 1.216 159 P CA -0.426 62.543 63.100 -0.220 0.000 0.776 159 P CB 0.565 32.084 31.700 -0.301 0.000 0.881 160 V N 4.199 123.913 119.914 -0.333 0.000 2.443 160 V HA 0.287 4.411 4.120 0.007 0.000 0.293 160 V C -0.601 175.338 176.094 -0.259 0.000 1.021 160 V CA -0.586 61.542 62.300 -0.286 0.000 0.848 160 V CB 0.429 31.982 31.823 -0.450 0.000 0.998 160 V HN 0.402 nan 8.190 nan 0.000 0.424 161 Y N 1.675 122.023 120.300 0.081 0.000 2.335 161 Y HA 0.550 5.113 4.550 0.022 0.000 0.323 161 Y C 1.014 176.965 175.900 0.085 0.000 1.224 161 Y CA -0.504 57.684 58.100 0.147 0.000 1.241 161 Y CB 1.363 40.008 38.460 0.309 0.000 1.235 161 Y HN 0.471 nan 8.280 nan 0.000 0.492 162 T N 1.968 116.680 114.554 0.263 0.000 2.809 162 T HA 0.378 4.733 4.350 0.007 0.000 0.296 162 T C 0.294 175.026 174.700 0.053 0.000 1.015 162 T CA -0.873 61.322 62.100 0.158 0.000 0.954 162 T CB 0.514 69.523 68.868 0.234 0.000 0.950 162 T HN 0.937 nan 8.240 nan 0.000 0.450 163 G N 2.218 110.974 108.800 -0.072 0.000 2.340 163 G HA2 0.521 4.485 3.960 0.007 0.000 0.245 163 G HA3 0.521 4.485 3.960 0.007 0.000 0.245 163 G C -0.256 174.587 174.900 -0.096 0.000 1.294 163 G CA -0.283 44.704 45.100 -0.189 0.000 0.896 163 G HN 0.962 nan 8.290 nan 0.000 0.522 164 A N 1.932 124.700 122.820 -0.087 0.000 2.569 164 A HA 0.809 5.133 4.320 0.007 0.000 0.290 164 A C -0.861 176.707 177.584 -0.028 0.000 1.136 164 A CA -0.735 51.282 52.037 -0.034 0.000 0.710 164 A CB 1.307 20.314 19.000 0.012 0.000 1.303 164 A HN 0.717 nan 8.150 nan 0.000 0.413 165 L N 0.932 122.153 121.223 -0.003 0.000 2.341 165 L HA 0.495 4.839 4.340 0.007 0.000 0.278 165 L C 0.166 177.056 176.870 0.034 0.000 1.005 165 L CA -0.660 54.189 54.840 0.015 0.000 0.818 165 L CB 1.920 43.988 42.059 0.016 0.000 1.259 165 L HN 0.799 nan 8.230 nan 0.000 0.418 166 K N 1.863 122.293 120.400 0.050 0.000 2.379 166 K HA 0.035 4.359 4.320 0.007 0.000 0.284 166 K C -0.457 176.185 176.600 0.071 0.000 1.044 166 K CA -0.396 55.932 56.287 0.068 0.000 0.974 166 K CB 0.599 33.147 32.500 0.080 0.000 0.962 166 K HN 0.445 nan 8.250 nan 0.000 0.474 167 D N 4.987 125.443 120.400 0.094 0.000 2.359 167 D HA 0.027 4.671 4.640 0.007 0.000 0.250 167 D C -0.883 175.577 176.300 0.268 0.000 1.264 167 D CA 0.125 54.212 54.000 0.146 0.000 0.911 167 D CB 0.327 41.205 40.800 0.130 0.000 1.056 167 D HN 0.591 nan 8.370 nan 0.000 0.499 168 E N 2.101 122.411 120.200 0.182 0.000 2.445 168 E HA 0.362 4.716 4.350 0.007 0.000 0.279 168 E C -0.982 175.445 176.600 -0.289 0.000 1.018 168 E CA -1.043 55.416 56.400 0.098 0.000 0.816 168 E CB 0.588 30.335 29.700 0.078 0.000 1.356 168 E HN 0.193 nan 8.360 nan 0.000 0.462 169 L N 1.684 122.586 121.223 -0.535 0.000 2.319 169 L HA 0.470 4.814 4.340 0.007 0.000 0.280 169 L C 0.027 176.790 176.870 -0.178 0.000 1.099 169 L CA -0.675 53.857 54.840 -0.514 0.000 0.828 169 L CB 0.912 42.619 42.059 -0.587 0.000 1.150 169 L HN 0.500 nan 8.230 nan 0.000 0.442 170 V N 0.115 119.840 119.914 -0.315 0.000 3.102 170 V HA 0.502 4.626 4.120 0.007 0.000 0.312 170 V C -0.251 175.291 176.094 -0.920 0.000 1.135 170 V CA -1.462 60.517 62.300 -0.536 0.000 1.022 170 V CB 1.692 33.328 31.823 -0.310 0.000 1.056 170 V HN 0.616 nan 8.190 nan 0.000 0.436 171 K N 1.411 121.118 120.400 -1.155 0.000 2.524 171 K HA 0.092 4.416 4.320 0.007 0.000 0.279 171 K C 1.566 177.989 176.600 -0.295 0.000 0.993 171 K CA 0.834 56.681 56.287 -0.733 0.000 1.030 171 K CB 0.642 32.902 32.500 -0.399 0.000 0.891 171 K HN 1.045 nan 8.250 nan 0.000 0.488 172 T N -1.223 113.277 114.554 -0.089 0.000 2.881 172 T HA -0.180 4.174 4.350 0.007 0.000 0.270 172 T C 1.303 176.057 174.700 0.091 0.000 1.068 172 T CA 1.476 63.625 62.100 0.082 0.000 1.131 172 T CB -0.247 68.765 68.868 0.239 0.000 0.871 172 T HN 0.726 nan 8.240 nan 0.000 0.479 173 D N 1.733 122.147 120.400 0.024 0.000 2.264 173 D HA -0.108 4.536 4.640 0.007 0.000 0.208 173 D C 1.682 177.953 176.300 -0.049 0.000 0.966 173 D CA 0.808 54.817 54.000 0.015 0.000 0.864 173 D CB -0.443 40.356 40.800 -0.001 0.000 0.933 173 D HN 0.433 nan 8.370 nan 0.000 0.499 174 K N -0.425 119.914 120.400 -0.102 0.000 2.486 174 K HA 0.179 4.503 4.320 0.007 0.000 0.194 174 K C 1.561 178.059 176.600 -0.171 0.000 1.033 174 K CA 0.294 56.503 56.287 -0.130 0.000 1.004 174 K CB 0.405 32.821 32.500 -0.141 0.000 0.798 174 K HN 0.278 nan 8.250 nan 0.000 0.495 175 I N -1.696 118.741 120.570 -0.223 0.000 3.366 175 I HA -0.069 4.105 4.170 0.007 0.000 0.267 175 I C 1.050 176.918 176.117 -0.416 0.000 1.149 175 I CA 0.356 61.426 61.300 -0.384 0.000 1.436 175 I CB 0.249 37.854 38.000 -0.659 0.000 1.379 175 I HN -0.019 nan 8.210 nan 0.000 0.460 176 Y N 0.864 121.141 120.300 -0.039 0.000 2.478 176 Y HA 0.356 4.910 4.550 0.007 0.000 0.261 176 Y C 1.631 177.501 175.900 -0.050 0.000 1.127 176 Y CA 0.098 58.179 58.100 -0.032 0.000 1.288 176 Y CB -0.260 38.193 38.460 -0.012 0.000 1.084 176 Y HN 0.025 nan 8.280 nan 0.000 0.530 177 G N -0.121 108.705 108.800 0.044 0.000 3.410 177 G HA2 0.187 4.151 3.960 0.007 0.000 0.189 177 G HA3 0.187 4.151 3.960 0.007 0.000 0.189 177 G C -0.745 174.118 174.900 -0.061 0.000 1.404 177 G CA -0.615 44.484 45.100 -0.001 0.000 0.898 177 G HN -0.084 nan 8.290 nan 0.000 0.650 178 K N 1.039 121.401 120.400 -0.063 0.000 2.336 178 K HA 0.239 4.563 4.320 0.007 0.000 0.290 178 K C 0.006 176.534 176.600 -0.120 0.000 1.067 178 K CA -0.096 56.139 56.287 -0.087 0.000 0.962 178 K CB -0.679 31.783 32.500 -0.063 0.000 1.008 178 K HN 0.206 nan 8.250 nan 0.000 0.467 179 I N 5.025 125.485 120.570 -0.183 0.000 2.598 179 I HA -0.001 4.173 4.170 0.007 0.000 0.284 179 I C 0.362 176.390 176.117 -0.148 0.000 1.140 179 I CA 0.578 61.735 61.300 -0.238 0.000 1.420 179 I CB 0.400 38.115 38.000 -0.474 0.000 1.387 179 I HN 0.491 nan 8.210 nan 0.000 0.553 180 K N 6.533 126.868 120.400 -0.108 0.000 2.468 180 K HA 0.591 4.915 4.320 0.007 0.000 0.252 180 K C -1.003 175.578 176.600 -0.032 0.000 0.932 180 K CA -1.005 55.247 56.287 -0.057 0.000 0.794 180 K CB 2.604 35.074 32.500 -0.050 0.000 1.241 180 K HN 0.370 nan 8.250 nan 0.000 0.428 181 K N 1.884 122.284 120.400 0.001 0.000 2.525 181 K HA 0.253 4.577 4.320 0.007 0.000 0.254 181 K C -1.302 175.319 176.600 0.034 0.000 0.934 181 K CA -0.849 55.449 56.287 0.018 0.000 0.802 181 K CB 2.110 34.636 32.500 0.043 0.000 1.295 181 K HN 0.534 nan 8.250 nan 0.000 0.433 182 R N 3.946 124.472 120.500 0.043 0.000 2.401 182 R HA 0.111 4.455 4.340 0.007 0.000 0.299 182 R C -0.618 175.727 176.300 0.076 0.000 1.064 182 R CA -0.482 55.662 56.100 0.073 0.000 1.000 182 R CB 0.363 30.713 30.300 0.083 0.000 0.973 182 R HN 0.463 nan 8.270 nan 0.000 0.438 183 L N 6.291 127.572 121.223 0.096 0.000 2.360 183 L HA 0.273 4.617 4.340 0.007 0.000 0.276 183 L C -1.156 175.771 176.870 0.095 0.000 1.121 183 L CA 0.325 55.187 54.840 0.037 0.000 0.845 183 L CB 0.723 42.788 42.059 0.011 0.000 1.143 183 L HN 0.580 nan 8.230 nan 0.000 0.452 184 L N 4.829 126.070 121.223 0.029 0.000 2.334 184 L HA 0.388 4.732 4.340 0.007 0.000 0.276 184 L C -1.188 175.708 176.870 0.043 0.000 1.014 184 L CA -0.547 54.375 54.840 0.137 0.000 0.815 184 L CB 1.506 43.641 42.059 0.127 0.000 1.268 184 L HN 0.641 nan 8.230 nan 0.000 0.428 185 W N 1.713 123.014 121.300 0.001 0.000 2.296 185 W HA 0.458 5.119 4.660 0.001 0.000 0.333 185 W C 0.734 177.364 176.519 0.184 0.000 0.931 185 W CA -0.847 56.498 57.345 -0.000 0.000 1.538 185 W CB 0.920 30.206 29.460 -0.289 0.000 1.417 185 W HN 0.497 nan 8.180 nan 0.000 0.380 186 G N 2.136 111.131 108.800 0.326 0.000 2.298 186 G HA2 0.212 4.176 3.960 0.007 0.000 0.263 186 G HA3 0.212 4.176 3.960 0.007 0.000 0.263 186 G C 0.337 175.438 174.900 0.336 0.000 1.229 186 G CA -0.253 45.018 45.100 0.284 0.000 0.976 186 G HN 0.271 nan 8.290 nan 0.000 0.459 187 S N 1.331 117.209 115.700 0.297 0.000 2.593 187 S HA 0.155 4.629 4.470 0.007 0.000 0.269 187 S C 0.598 175.238 174.600 0.067 0.000 1.334 187 S CA -0.461 57.856 58.200 0.194 0.000 1.015 187 S CB 0.696 64.009 63.200 0.188 0.000 0.912 187 S HN 0.822 nan 8.310 nan 0.000 0.541 188 D N 1.023 121.400 120.400 -0.037 0.000 2.253 188 D HA 0.104 4.748 4.640 0.007 0.000 0.249 188 D C 1.129 177.404 176.300 -0.041 0.000 1.049 188 D CA -0.711 53.264 54.000 -0.041 0.000 0.929 188 D CB 1.024 41.792 40.800 -0.053 0.000 1.176 188 D HN 0.336 nan 8.370 nan 0.000 0.437 189 L N 2.737 123.920 121.223 -0.065 0.000 2.042 189 L HA -0.145 4.199 4.340 0.007 0.000 0.210 189 L C 2.414 179.251 176.870 -0.054 0.000 1.076 189 L CA 2.380 57.164 54.840 -0.094 0.000 0.749 189 L CB -0.954 40.987 42.059 -0.196 0.000 0.893 189 L HN 0.693 nan 8.230 nan 0.000 0.432 190 A N -1.619 121.179 122.820 -0.038 0.000 1.883 190 A HA -0.245 4.079 4.320 0.007 0.000 0.217 190 A C 2.288 179.876 177.584 0.007 0.000 1.186 190 A CA 2.494 54.530 52.037 -0.003 0.000 0.624 190 A CB -1.281 17.717 19.000 -0.004 0.000 0.822 190 A HN 0.511 nan 8.150 nan 0.000 0.444 191 T N 0.207 114.753 114.554 -0.013 0.000 2.746 191 T HA -0.151 4.203 4.350 0.007 0.000 0.267 191 T C 1.934 176.652 174.700 0.030 0.000 1.039 191 T CA 1.801 63.900 62.100 -0.001 0.000 1.142 191 T CB -0.353 68.486 68.868 -0.047 0.000 0.866 191 T HN 0.472 nan 8.240 nan 0.000 0.444 192 M N 0.196 119.816 119.600 0.034 0.000 2.108 192 M HA -0.030 4.454 4.480 0.007 0.000 0.261 192 M C 2.201 178.537 176.300 0.060 0.000 1.066 192 M CA 1.707 57.043 55.300 0.060 0.000 1.107 192 M CB -0.625 32.008 32.600 0.057 0.000 1.356 192 M HN 0.197 nan 8.290 nan 0.000 0.406 193 I N -0.388 120.217 120.570 0.058 0.000 2.202 193 I HA -0.250 3.924 4.170 0.007 0.000 0.242 193 I C 2.651 178.754 176.117 -0.022 0.000 1.091 193 I CA 1.284 62.635 61.300 0.084 0.000 1.368 193 I CB -0.323 37.783 38.000 0.177 0.000 1.058 193 I HN 0.211 nan 8.210 nan 0.000 0.410 194 R N -0.266 120.211 120.500 -0.037 0.000 2.081 194 R HA -0.153 4.191 4.340 0.007 0.000 0.235 194 R C 2.405 178.570 176.300 -0.225 0.000 1.131 194 R CA 1.701 57.724 56.100 -0.128 0.000 0.960 194 R CB -0.704 29.608 30.300 0.020 0.000 0.856 194 R HN 0.420 nan 8.270 nan 0.000 0.436 195 C N 0.072 119.326 119.300 -0.077 0.000 2.440 195 C HA -0.016 4.448 4.460 0.007 0.000 0.278 195 C C 2.929 177.861 174.990 -0.096 0.000 1.295 195 C CA 0.643 59.652 59.018 -0.015 0.000 1.738 195 C CB -0.897 26.932 27.740 0.149 0.000 1.987 195 C HN 0.577 nan 8.230 nan 0.000 0.492 196 A N 0.648 123.425 122.820 -0.071 0.000 1.902 196 A HA -0.179 4.145 4.320 0.007 0.000 0.217 196 A C 2.275 179.747 177.584 -0.185 0.000 1.181 196 A CA 1.362 53.370 52.037 -0.048 0.000 0.623 196 A CB -0.488 18.637 19.000 0.209 0.000 0.818 196 A HN 0.653 nan 8.150 nan 0.000 0.443 197 R N -0.715 119.599 120.500 -0.310 0.000 2.075 197 R HA -0.028 4.316 4.340 0.007 0.000 0.232 197 R C 2.519 178.460 176.300 -0.598 0.000 1.126 197 R CA 1.121 56.905 56.100 -0.527 0.000 0.963 197 R CB -0.448 29.167 30.300 -1.141 0.000 0.858 197 R HN 0.515 nan 8.270 nan 0.000 0.435 198 A N 0.442 122.837 122.820 -0.707 0.000 1.877 198 A HA -0.117 4.207 4.320 0.007 0.000 0.216 198 A C 1.391 178.537 177.584 -0.729 0.000 1.186 198 A CA 1.356 52.987 52.037 -0.676 0.000 0.620 198 A CB -0.181 18.148 19.000 -1.118 0.000 0.822 198 A HN 0.260 nan 8.150 nan 0.000 0.443 199 F N -1.433 118.364 119.950 -0.254 0.000 2.784 199 F HA 0.280 4.812 4.527 0.009 0.000 0.323 199 F C 2.272 177.781 175.800 -0.486 0.000 1.085 199 F CA -0.422 57.413 58.000 -0.276 0.000 1.196 199 F CB -0.718 38.160 39.000 -0.203 0.000 1.053 199 F HN 0.209 nan 8.300 nan 0.000 0.578 200 G N 0.929 109.280 108.800 -0.748 0.000 2.553 200 G HA2 -0.263 3.701 3.960 0.007 0.000 0.218 200 G HA3 -0.263 3.701 3.960 0.007 0.000 0.218 200 G C 2.057 176.111 174.900 -1.410 0.000 1.195 200 G CA 1.221 45.261 45.100 -1.766 0.000 0.779 200 G HN 0.465 nan 8.290 nan 0.000 0.577 201 G N 0.568 108.668 108.800 -1.167 0.000 2.440 201 G HA2 -0.148 3.816 3.960 0.007 0.000 0.218 201 G HA3 -0.148 3.816 3.960 0.007 0.000 0.218 201 G C 1.773 176.619 174.900 -0.090 0.000 1.154 201 G CA 1.146 46.070 45.100 -0.294 0.000 0.767 201 G HN 0.445 nan 8.290 nan 0.000 0.552 202 L N 0.301 121.469 121.223 -0.091 0.000 2.046 202 L HA 0.024 4.368 4.340 0.007 0.000 0.208 202 L C 2.693 179.567 176.870 0.006 0.000 1.077 202 L CA 1.633 56.486 54.840 0.023 0.000 0.747 202 L CB -0.365 41.755 42.059 0.101 0.000 0.896 202 L HN 0.087 nan 8.230 nan 0.000 0.432 203 M N -0.822 118.746 119.600 -0.053 0.000 2.117 203 M HA -0.201 4.283 4.480 0.007 0.000 0.262 203 M C 1.995 178.309 176.300 0.022 0.000 1.065 203 M CA 1.466 56.750 55.300 -0.027 0.000 1.114 203 M CB -1.508 31.057 32.600 -0.058 0.000 1.361 203 M HN 0.252 nan 8.290 nan 0.000 0.408 204 D N 0.210 120.638 120.400 0.046 0.000 2.123 204 D HA -0.179 4.465 4.640 0.007 0.000 0.196 204 D C 2.020 178.377 176.300 0.096 0.000 0.992 204 D CA 1.297 55.369 54.000 0.121 0.000 0.833 204 D CB -0.074 40.865 40.800 0.231 0.000 0.954 204 D HN 0.332 nan 8.370 nan 0.000 0.455 205 E N 0.141 120.400 120.200 0.099 0.000 2.072 205 E HA -0.070 4.284 4.350 0.007 0.000 0.191 205 E C 2.129 178.823 176.600 0.157 0.000 0.985 205 E CA 0.689 57.168 56.400 0.132 0.000 0.801 205 E CB -0.316 29.465 29.700 0.136 0.000 0.750 205 E HN 0.262 nan 8.360 nan 0.000 0.452 206 L N 0.502 121.783 121.223 0.097 0.000 2.042 206 L HA -0.187 4.157 4.340 0.007 0.000 0.210 206 L C 2.720 179.632 176.870 0.071 0.000 1.076 206 L CA 1.702 56.593 54.840 0.084 0.000 0.749 206 L CB -0.555 41.530 42.059 0.044 0.000 0.893 206 L HN 0.157 nan 8.230 nan 0.000 0.432 207 K N -0.113 120.314 120.400 0.044 0.000 2.032 207 K HA -0.195 4.129 4.320 0.007 0.000 0.209 207 K C 1.993 178.589 176.600 -0.007 0.000 1.048 207 K CA 2.009 58.309 56.287 0.022 0.000 0.927 207 K CB -0.114 32.407 32.500 0.036 0.000 0.712 207 K HN 0.235 nan 8.250 nan 0.000 0.441 208 T N 0.275 114.808 114.554 -0.035 0.000 2.803 208 T HA -0.133 4.222 4.350 0.007 0.000 0.269 208 T C 0.998 175.508 174.700 -0.316 0.000 1.052 208 T CA 1.130 63.124 62.100 -0.178 0.000 1.136 208 T CB -0.212 68.519 68.868 -0.227 0.000 0.864 208 T HN 0.347 nan 8.240 nan 0.000 0.467 209 H N -0.070 118.998 119.070 -0.003 0.000 2.487 209 H HA 0.209 4.769 4.556 0.006 0.000 0.290 209 H C 2.092 177.400 175.328 -0.034 0.000 1.081 209 H CA -0.117 55.920 56.048 -0.017 0.000 1.116 209 H CB -0.467 29.285 29.762 -0.017 0.000 1.560 209 H HN 0.551 nan 8.280 nan 0.000 0.548 210 C N -1.090 118.226 119.300 0.028 0.000 2.437 210 C HA 0.008 4.472 4.460 0.007 0.000 0.283 210 C C 2.272 177.244 174.990 -0.030 0.000 1.424 210 C CA -0.104 58.912 59.018 -0.002 0.000 1.782 210 C CB -1.387 26.351 27.740 -0.003 0.000 1.833 210 C HN 0.198 nan 8.230 nan 0.000 0.532 211 V N 1.227 121.122 119.914 -0.031 0.000 2.871 211 V HA -0.078 4.046 4.120 0.007 0.000 0.256 211 V C 2.634 178.689 176.094 -0.066 0.000 1.082 211 V CA 2.352 64.618 62.300 -0.057 0.000 1.105 211 V CB -0.823 30.969 31.823 -0.052 0.000 0.713 211 V HN 0.682 nan 8.190 nan 0.000 0.473 212 T N -0.462 114.073 114.554 -0.031 0.000 3.023 212 T HA 0.325 4.679 4.350 0.007 0.000 0.249 212 T C 0.653 175.297 174.700 -0.093 0.000 1.050 212 T CA 0.215 62.289 62.100 -0.044 0.000 1.088 212 T CB 0.096 68.976 68.868 0.021 0.000 0.946 212 T HN 0.136 nan 8.240 nan 0.000 0.480 213 L N 1.666 122.838 121.223 -0.085 0.000 2.360 213 L HA 0.312 4.656 4.340 0.007 0.000 0.271 213 L C -1.634 175.067 176.870 -0.283 0.000 1.057 213 L CA -2.377 52.370 54.840 -0.155 0.000 0.803 213 L CB 1.260 43.285 42.059 -0.057 0.000 1.207 213 L HN -0.144 nan 8.230 nan 0.000 0.445 214 P HA -0.075 nan 4.420 nan 0.000 0.221 214 P C 0.197 177.310 177.300 -0.313 0.000 1.145 214 P CA 1.118 63.867 63.100 -0.584 0.000 0.795 214 P CB 0.129 31.222 31.700 -1.011 0.000 0.775 215 I N 0.637 121.083 120.570 -0.206 0.000 2.329 215 I HA 0.072 4.246 4.170 0.007 0.000 0.295 215 I C 1.329 177.413 176.117 -0.056 0.000 1.109 215 I CA -0.206 61.071 61.300 -0.039 0.000 1.297 215 I CB 0.514 38.534 38.000 0.034 0.000 1.433 215 I HN -0.207 nan 8.210 nan 0.000 0.509 216 R N 4.374 124.868 120.500 -0.010 0.000 2.320 216 R HA 0.149 4.493 4.340 0.007 0.000 0.211 216 R C 0.024 176.325 176.300 0.000 0.000 0.931 216 R CA -0.086 56.054 56.100 0.067 0.000 1.071 216 R CB -0.528 29.958 30.300 0.310 0.000 1.025 216 R HN 0.350 nan 8.270 nan 0.000 0.495 217 V N 1.054 120.798 119.914 -0.283 0.000 2.493 217 V HA 0.176 4.300 4.120 0.007 0.000 0.292 217 V C 1.506 177.567 176.094 -0.055 0.000 1.016 217 V CA 1.277 63.358 62.300 -0.365 0.000 1.097 217 V CB 0.496 32.055 31.823 -0.441 0.000 0.947 217 V HN 0.719 nan 8.190 nan 0.000 0.479 218 G N 4.028 112.866 108.800 0.064 0.000 2.211 218 G HA2 -0.194 3.770 3.960 0.007 0.000 0.201 218 G HA3 -0.194 3.770 3.960 0.007 0.000 0.201 218 G C 0.130 175.073 174.900 0.072 0.000 0.997 218 G CA -0.012 45.127 45.100 0.065 0.000 0.652 218 G HN 0.897 nan 8.290 nan 0.000 0.500 219 M N 0.704 120.370 119.600 0.108 0.000 2.217 219 M HA 0.604 5.088 4.480 0.007 0.000 0.354 219 M C -0.185 176.154 176.300 0.066 0.000 1.225 219 M CA -0.352 54.995 55.300 0.078 0.000 1.137 219 M CB 0.916 33.575 32.600 0.099 0.000 1.576 219 M HN 0.068 nan 8.290 nan 0.000 0.461 220 N N 4.478 123.191 118.700 0.021 0.000 2.439 220 N HA 0.139 4.883 4.740 0.007 0.000 0.249 220 N C 0.078 175.582 175.510 -0.010 0.000 1.003 220 N CA -0.313 52.742 53.050 0.008 0.000 0.942 220 N CB 1.271 39.752 38.487 -0.010 0.000 1.115 220 N HN 1.007 nan 8.380 nan 0.000 0.505 221 M N 4.058 123.665 119.600 0.012 0.000 2.117 221 M HA -0.098 4.386 4.480 0.007 0.000 0.262 221 M C 1.502 177.801 176.300 -0.002 0.000 1.065 221 M CA 1.619 56.931 55.300 0.019 0.000 1.114 221 M CB -0.600 32.044 32.600 0.074 0.000 1.361 221 M HN 0.619 nan 8.290 nan 0.000 0.408 222 N N -0.301 118.390 118.700 -0.016 0.000 2.142 222 N HA -0.160 4.584 4.740 0.007 0.000 0.186 222 N C 1.472 176.935 175.510 -0.079 0.000 1.023 222 N CA 1.705 54.722 53.050 -0.055 0.000 0.852 222 N CB 0.048 38.477 38.487 -0.096 0.000 0.998 222 N HN 0.592 nan 8.380 nan 0.000 0.424 223 E N -0.509 119.647 120.200 -0.073 0.000 2.166 223 E HA -0.030 4.324 4.350 0.007 0.000 0.192 223 E C 0.732 177.291 176.600 -0.068 0.000 0.967 223 E CA 0.556 56.914 56.400 -0.071 0.000 0.840 223 E CB 0.232 29.895 29.700 -0.062 0.000 0.795 223 E HN 0.305 nan 8.360 nan 0.000 0.470 224 D N -0.088 120.261 120.400 -0.085 0.000 2.338 224 D HA 0.006 4.650 4.640 0.007 0.000 0.208 224 D C 1.899 178.064 176.300 -0.224 0.000 0.997 224 D CA 0.635 54.564 54.000 -0.119 0.000 0.880 224 D CB -0.201 40.540 40.800 -0.100 0.000 0.980 224 D HN 0.170 nan 8.370 nan 0.000 0.509 225 G N 2.371 111.005 108.800 -0.277 0.000 2.491 225 G HA2 -0.229 3.735 3.960 0.007 0.000 0.218 225 G HA3 -0.229 3.735 3.960 0.007 0.000 0.218 225 G C -0.711 173.925 174.900 -0.440 0.000 1.180 225 G CA 0.653 45.384 45.100 -0.615 0.000 0.774 225 G HN 0.289 nan 8.290 nan 0.000 0.562 226 P HA -0.072 nan 4.420 nan 0.000 0.216 226 P C 1.882 179.227 177.300 0.076 0.000 1.153 226 P CA 0.893 64.075 63.100 0.137 0.000 0.858 226 P CB -0.070 31.706 31.700 0.126 0.000 0.789 227 I N -1.581 118.970 120.570 -0.031 0.000 2.163 227 I HA -0.202 3.972 4.170 0.007 0.000 0.240 227 I C 2.334 178.398 176.117 -0.089 0.000 1.081 227 I CA 1.387 62.665 61.300 -0.037 0.000 1.353 227 I CB -0.614 37.354 38.000 -0.053 0.000 1.054 227 I HN -0.153 nan 8.210 nan 0.000 0.407 228 I N 0.157 120.606 120.570 -0.202 0.000 2.179 228 I HA -0.286 3.888 4.170 0.007 0.000 0.242 228 I C 2.339 178.411 176.117 -0.074 0.000 1.088 228 I CA 1.497 62.672 61.300 -0.208 0.000 1.357 228 I CB -0.320 37.481 38.000 -0.332 0.000 1.051 228 I HN 0.072 nan 8.210 nan 0.000 0.409 229 F N 0.660 120.540 119.950 -0.117 0.000 2.186 229 F HA -0.161 4.370 4.527 0.007 0.000 0.299 229 F C 2.595 178.026 175.800 -0.614 0.000 1.090 229 F CA 0.987 58.776 58.000 -0.352 0.000 1.307 229 F CB -1.021 37.792 39.000 -0.312 0.000 1.019 229 F HN 0.111 nan 8.300 nan 0.000 0.489 230 E N 0.984 121.073 120.200 -0.184 0.000 2.077 230 E HA -0.193 4.161 4.350 0.007 0.000 0.193 230 E C 2.368 178.917 176.600 -0.084 0.000 0.989 230 E CA 1.079 57.403 56.400 -0.127 0.000 0.800 230 E CB -0.089 29.709 29.700 0.163 0.000 0.746 230 E HN 0.358 nan 8.360 nan 0.000 0.452 231 R N -0.501 119.967 120.500 -0.054 0.000 2.081 231 R HA -0.120 4.224 4.340 0.007 0.000 0.235 231 R C 2.503 178.807 176.300 0.007 0.000 1.131 231 R CA 1.220 57.296 56.100 -0.039 0.000 0.960 231 R CB -0.570 29.676 30.300 -0.090 0.000 0.856 231 R HN 0.398 nan 8.270 nan 0.000 0.436 232 H N 0.460 119.479 119.070 -0.084 0.000 2.352 232 H HA -0.100 4.460 4.556 0.006 0.000 0.299 232 H C 2.371 177.731 175.328 0.052 0.000 1.097 232 H CA 2.068 58.080 56.048 -0.060 0.000 1.311 232 H CB -0.108 29.523 29.762 -0.218 0.000 1.377 232 H HN 0.283 nan 8.280 nan 0.000 0.504 233 S N 0.971 116.614 115.700 -0.094 0.000 2.442 233 S HA -0.105 4.369 4.470 0.007 0.000 0.236 233 S C 1.942 176.616 174.600 0.123 0.000 1.007 233 S CA 0.610 58.745 58.200 -0.107 0.000 0.965 233 S CB -0.199 62.833 63.200 -0.280 0.000 0.773 233 S HN 0.365 nan 8.310 nan 0.000 0.504 234 R N -0.474 120.071 120.500 0.076 0.000 2.235 234 R HA 0.134 4.478 4.340 0.007 0.000 0.213 234 R C -0.132 176.057 176.300 -0.185 0.000 1.059 234 R CA 0.499 56.559 56.100 -0.066 0.000 0.997 234 R CB -0.206 29.983 30.300 -0.186 0.000 0.884 234 R HN 0.485 nan 8.270 nan 0.000 0.462 235 Y N -0.163 120.129 120.300 -0.012 0.000 2.326 235 Y HA 0.155 4.709 4.550 0.007 0.000 0.324 235 Y C 1.681 177.453 175.900 -0.215 0.000 1.291 235 Y CA -0.571 57.464 58.100 -0.108 0.000 1.348 235 Y CB 0.692 39.071 38.460 -0.136 0.000 1.294 235 Y HN -0.266 nan 8.280 nan 0.000 0.525 236 R N 0.082 120.477 120.500 -0.175 0.000 2.080 236 R HA 0.035 4.379 4.340 0.007 0.000 0.222 236 R C -0.821 175.067 176.300 -0.686 0.000 1.107 236 R CA 0.950 56.775 56.100 -0.459 0.000 0.980 236 R CB 0.127 30.035 30.300 -0.653 0.000 0.879 236 R HN 0.637 nan 8.270 nan 0.000 0.439 237 Y N -0.211 119.903 120.300 -0.311 0.000 2.468 237 Y HA 0.447 5.001 4.550 0.007 0.000 0.342 237 Y C -0.401 175.169 175.900 -0.550 0.000 1.021 237 Y CA -0.995 56.930 58.100 -0.292 0.000 1.079 237 Y CB 1.724 40.153 38.460 -0.053 0.000 1.226 237 Y HN 0.009 nan 8.280 nan 0.000 0.460 238 H N 2.046 121.259 119.070 0.237 0.000 2.865 238 H HA 0.341 4.901 4.556 0.007 0.000 0.362 238 H C -1.665 173.766 175.328 0.173 0.000 1.114 238 H CA -0.972 55.140 56.048 0.107 0.000 1.208 238 H CB 2.326 32.094 29.762 0.011 0.000 1.727 238 H HN 0.781 nan 8.280 nan 0.000 0.534 239 Y N 0.094 120.488 120.300 0.157 0.000 2.492 239 Y HA 0.445 4.999 4.550 0.006 0.000 0.346 239 Y C -1.067 174.872 175.900 0.065 0.000 0.997 239 Y CA -1.169 56.989 58.100 0.097 0.000 1.025 239 Y CB 1.498 40.006 38.460 0.080 0.000 1.263 239 Y HN 0.469 nan 8.280 nan 0.000 0.454 240 D N 2.347 122.852 120.400 0.175 0.000 2.340 240 D HA 0.829 5.473 4.640 0.007 0.000 0.243 240 D C -0.967 175.448 176.300 0.192 0.000 0.988 240 D CA -0.740 53.323 54.000 0.105 0.000 0.959 240 D CB 1.980 42.799 40.800 0.031 0.000 1.226 240 D HN 1.088 nan 8.370 nan 0.000 0.509 241 A N 0.326 123.247 122.820 0.169 0.000 2.597 241 A HA 0.545 4.869 4.320 0.007 0.000 0.292 241 A C -1.869 175.772 177.584 0.095 0.000 1.057 241 A CA -0.843 51.249 52.037 0.091 0.000 0.674 241 A CB 1.460 20.484 19.000 0.040 0.000 1.278 241 A HN 0.629 nan 8.150 nan 0.000 0.416 242 D N -1.217 119.172 120.400 -0.018 0.000 2.477 242 D HA 0.742 5.386 4.640 0.007 0.000 0.234 242 D C -1.672 174.576 176.300 -0.086 0.000 1.048 242 D CA -0.034 54.002 54.000 0.061 0.000 0.959 242 D CB 1.230 42.069 40.800 0.063 0.000 1.408 242 D HN 0.385 nan 8.370 nan 0.000 0.496 243 Y N 0.049 120.420 120.300 0.118 0.000 2.446 243 Y HA 0.433 4.987 4.550 0.008 0.000 0.345 243 Y C 0.111 176.092 175.900 0.135 0.000 0.984 243 Y CA -0.938 57.262 58.100 0.166 0.000 1.058 243 Y CB 2.228 40.896 38.460 0.347 0.000 1.220 243 Y HN 0.179 nan 8.280 nan 0.000 0.455 244 S N 3.102 118.929 115.700 0.211 0.000 2.528 244 S HA 0.239 4.713 4.470 0.007 0.000 0.277 244 S C 0.249 174.930 174.600 0.135 0.000 1.297 244 S CA -0.684 57.594 58.200 0.131 0.000 1.052 244 S CB 0.192 63.430 63.200 0.063 0.000 0.917 244 S HN 0.696 nan 8.310 nan 0.000 0.492 245 R N 0.784 121.348 120.500 0.106 0.000 3.416 245 R HA -0.190 4.154 4.340 0.007 0.000 0.263 245 R C 0.938 177.258 176.300 0.032 0.000 1.053 245 R CA 0.490 56.617 56.100 0.044 0.000 0.705 245 R CB -1.578 28.697 30.300 -0.042 0.000 1.124 245 R HN 0.930 nan 8.270 nan 0.000 0.444 246 W N 2.376 123.646 121.300 -0.050 0.000 2.301 246 W HA -0.307 4.357 4.660 0.005 0.000 0.325 246 W C 1.562 177.963 176.519 -0.197 0.000 1.250 246 W CA 2.520 59.795 57.345 -0.116 0.000 1.261 246 W CB -0.394 29.012 29.460 -0.090 0.000 1.157 246 W HN 0.437 nan 8.180 nan 0.000 0.473 247 D N 0.477 120.854 120.400 -0.039 0.000 2.149 247 D HA -0.240 4.404 4.640 0.007 0.000 0.198 247 D C 2.094 178.098 176.300 -0.493 0.000 0.990 247 D CA 2.432 56.316 54.000 -0.193 0.000 0.839 247 D CB -1.283 39.573 40.800 0.093 0.000 0.948 247 D HN 0.236 nan 8.370 nan 0.000 0.460 248 S N -0.190 115.095 115.700 -0.692 0.000 2.447 248 S HA -0.131 4.343 4.470 0.007 0.000 0.233 248 S C 1.884 176.025 174.600 -0.764 0.000 1.006 248 S CA 1.435 58.848 58.200 -1.312 0.000 0.957 248 S CB -1.113 61.460 63.200 -1.045 0.000 0.773 248 S HN 0.506 nan 8.310 nan 0.000 0.507 249 T N -1.966 112.245 114.554 -0.571 0.000 3.086 249 T HA 0.224 4.578 4.350 0.007 0.000 0.250 249 T C 0.501 174.883 174.700 -0.529 0.000 1.074 249 T CA -0.403 61.416 62.100 -0.468 0.000 0.988 249 T CB -0.148 68.491 68.868 -0.382 0.000 0.988 249 T HN 0.147 nan 8.240 nan 0.000 0.530 250 Q N 2.122 121.549 119.800 -0.621 0.000 2.352 250 Q HA 0.302 4.646 4.340 0.007 0.000 0.260 250 Q C -0.205 175.555 176.000 -0.399 0.000 0.976 250 Q CA 0.357 55.798 55.803 -0.604 0.000 0.881 250 Q CB 0.741 29.084 28.738 -0.658 0.000 1.235 250 Q HN 0.616 nan 8.270 nan 0.000 0.419 251 Q N 2.117 121.709 119.800 -0.346 0.000 2.271 251 Q HA 0.277 4.621 4.340 0.007 0.000 0.258 251 Q C 0.868 176.749 176.000 -0.198 0.000 0.936 251 Q CA -0.726 54.936 55.803 -0.235 0.000 0.909 251 Q CB 1.445 30.057 28.738 -0.209 0.000 1.253 251 Q HN 0.299 nan 8.270 nan 0.000 0.440 252 R N 1.352 121.771 120.500 -0.136 0.000 2.159 252 R HA -0.166 4.178 4.340 0.007 0.000 0.237 252 R C 1.762 178.037 176.300 -0.042 0.000 1.131 252 R CA 1.333 57.390 56.100 -0.072 0.000 0.982 252 R CB -0.620 29.663 30.300 -0.028 0.000 0.868 252 R HN 0.753 nan 8.270 nan 0.000 0.453 253 A N 0.617 123.397 122.820 -0.068 0.000 1.908 253 A HA -0.127 4.197 4.320 0.007 0.000 0.218 253 A C 2.463 180.005 177.584 -0.070 0.000 1.181 253 A CA 1.669 53.669 52.037 -0.062 0.000 0.627 253 A CB -0.469 18.483 19.000 -0.079 0.000 0.818 253 A HN 0.115 nan 8.150 nan 0.000 0.445 254 V N 0.037 119.882 119.914 -0.116 0.000 2.323 254 V HA -0.192 3.932 4.120 0.007 0.000 0.244 254 V C 2.513 178.580 176.094 -0.045 0.000 1.041 254 V CA 1.682 63.909 62.300 -0.123 0.000 1.025 254 V CB -0.745 30.952 31.823 -0.211 0.000 0.656 254 V HN 0.562 nan 8.190 nan 0.000 0.451 255 L N 0.298 121.495 121.223 -0.044 0.000 2.127 255 L HA -0.176 4.168 4.340 0.007 0.000 0.211 255 L C 2.724 179.796 176.870 0.337 0.000 1.089 255 L CA 1.450 56.370 54.840 0.132 0.000 0.757 255 L CB -0.850 41.175 42.059 -0.058 0.000 0.899 255 L HN 0.381 nan 8.230 nan 0.000 0.434 256 A N 0.254 123.167 122.820 0.156 0.000 1.902 256 A HA -0.161 4.163 4.320 0.007 0.000 0.217 256 A C 2.569 180.193 177.584 0.067 0.000 1.181 256 A CA 1.739 53.841 52.037 0.108 0.000 0.623 256 A CB -0.632 18.398 19.000 0.050 0.000 0.818 256 A HN 0.393 nan 8.150 nan 0.000 0.443 257 A N -0.186 122.658 122.820 0.040 0.000 1.933 257 A HA 0.180 4.504 4.320 0.007 0.000 0.218 257 A C 2.496 180.097 177.584 0.028 0.000 1.175 257 A CA 2.014 54.057 52.037 0.011 0.000 0.628 257 A CB -0.990 17.997 19.000 -0.023 0.000 0.814 257 A HN 1.050 nan 8.150 nan 0.000 0.444 258 A N -0.217 122.657 122.820 0.090 0.000 1.908 258 A HA -0.076 4.248 4.320 0.007 0.000 0.218 258 A C 2.169 179.773 177.584 0.034 0.000 1.181 258 A CA 1.559 53.673 52.037 0.129 0.000 0.627 258 A CB -0.607 18.589 19.000 0.327 0.000 0.818 258 A HN 0.474 nan 8.150 nan 0.000 0.445 259 L N -0.944 120.273 121.223 -0.011 0.000 2.093 259 L HA -0.192 4.152 4.340 0.007 0.000 0.208 259 L C 2.573 179.396 176.870 -0.078 0.000 1.085 259 L CA 1.496 56.215 54.840 -0.202 0.000 0.755 259 L CB -0.524 41.393 42.059 -0.237 0.000 0.904 259 L HN 0.472 nan 8.230 nan 0.000 0.435 260 E N 0.320 120.508 120.200 -0.021 0.000 2.085 260 E HA -0.243 4.111 4.350 0.007 0.000 0.194 260 E C 2.221 178.824 176.600 0.004 0.000 0.994 260 E CA 1.374 57.769 56.400 -0.008 0.000 0.801 260 E CB -0.114 29.580 29.700 -0.010 0.000 0.743 260 E HN 0.461 nan 8.360 nan 0.000 0.453 261 I N 0.422 121.005 120.570 0.022 0.000 2.179 261 I HA -0.314 3.860 4.170 0.007 0.000 0.242 261 I C 2.437 178.659 176.117 0.174 0.000 1.088 261 I CA 1.134 62.493 61.300 0.100 0.000 1.357 261 I CB -0.213 37.831 38.000 0.073 0.000 1.051 261 I HN 0.158 nan 8.210 nan 0.000 0.409 262 M N -0.170 119.464 119.600 0.057 0.000 2.080 262 M HA -0.203 4.281 4.480 0.007 0.000 0.260 262 M C 2.395 178.816 176.300 0.203 0.000 1.068 262 M CA 1.646 56.967 55.300 0.035 0.000 1.109 262 M CB -0.458 31.941 32.600 -0.335 0.000 1.342 262 M HN 0.079 nan 8.290 nan 0.000 0.405 263 V N 0.465 120.485 119.914 0.177 0.000 2.343 263 V HA -0.301 3.823 4.120 0.007 0.000 0.247 263 V C 2.334 178.470 176.094 0.069 0.000 1.051 263 V CA 1.952 64.363 62.300 0.184 0.000 1.036 263 V CB -0.768 31.118 31.823 0.105 0.000 0.654 263 V HN 0.475 nan 8.190 nan 0.000 0.451 264 K N -0.501 119.887 120.400 -0.021 0.000 2.063 264 K HA -0.183 4.142 4.320 0.007 0.000 0.208 264 K C 1.671 178.075 176.600 -0.325 0.000 1.048 264 K CA 1.933 58.084 56.287 -0.226 0.000 0.928 264 K CB -0.169 32.097 32.500 -0.389 0.000 0.713 264 K HN 0.462 nan 8.250 nan 0.000 0.442 265 F N 1.005 120.983 119.950 0.046 0.000 2.693 265 F HA 0.102 4.633 4.527 0.006 0.000 0.303 265 F C 0.858 176.697 175.800 0.065 0.000 1.097 265 F CA -0.382 57.647 58.000 0.048 0.000 1.330 265 F CB 0.186 39.209 39.000 0.038 0.000 1.067 265 F HN -0.070 nan 8.300 nan 0.000 0.565 266 S N -0.591 115.226 115.700 0.194 0.000 2.600 266 S HA 0.092 4.566 4.470 0.007 0.000 0.265 266 S C 1.529 176.184 174.600 0.091 0.000 1.325 266 S CA -0.076 58.209 58.200 0.141 0.000 1.002 266 S CB 1.266 64.528 63.200 0.103 0.000 0.921 266 S HN 0.267 nan 8.310 nan 0.000 0.554 267 S N 0.335 116.076 115.700 0.069 0.000 2.402 267 S HA -0.042 4.432 4.470 0.007 0.000 0.229 267 S C 0.181 174.833 174.600 0.087 0.000 1.021 267 S CA 0.678 58.929 58.200 0.084 0.000 0.974 267 S CB -0.622 62.634 63.200 0.093 0.000 0.800 267 S HN 0.818 nan 8.310 nan 0.000 0.484 268 E N 1.437 121.666 120.200 0.047 0.000 3.037 268 E HA 0.365 4.719 4.350 0.007 0.000 0.220 268 E C -2.372 174.175 176.600 -0.088 0.000 1.142 268 E CA -1.986 54.410 56.400 -0.007 0.000 0.888 268 E CB 1.622 31.221 29.700 -0.168 0.000 1.329 268 E HN 0.194 nan 8.360 nan 0.000 0.409 269 P HA -0.267 nan 4.420 nan 0.000 0.216 269 P C 1.182 178.490 177.300 0.014 0.000 1.150 269 P CA 1.330 64.452 63.100 0.037 0.000 0.843 269 P CB 0.064 31.794 31.700 0.050 0.000 0.787 270 H N -0.847 118.179 119.070 -0.074 0.000 2.387 270 H HA -0.045 4.517 4.556 0.010 0.000 0.299 270 H C 1.795 177.044 175.328 -0.132 0.000 1.090 270 H CA 1.157 57.150 56.048 -0.091 0.000 1.332 270 H CB -1.424 28.284 29.762 -0.090 0.000 1.386 270 H HN 0.181 nan 8.280 nan 0.000 0.516 271 L N 0.297 121.123 121.223 -0.661 0.000 2.162 271 L HA 0.131 4.475 4.340 0.007 0.000 0.205 271 L C 3.086 179.764 176.870 -0.320 0.000 1.086 271 L CA 0.710 55.177 54.840 -0.622 0.000 0.778 271 L CB -0.483 40.929 42.059 -1.079 0.000 0.928 271 L HN 0.321 nan 8.230 nan 0.000 0.446 272 A N 0.005 122.686 122.820 -0.231 0.000 1.933 272 A HA -0.273 4.051 4.320 0.007 0.000 0.218 272 A C 2.205 179.733 177.584 -0.093 0.000 1.175 272 A CA 1.774 53.675 52.037 -0.227 0.000 0.628 272 A CB -0.485 18.348 19.000 -0.280 0.000 0.814 272 A HN 0.398 nan 8.150 nan 0.000 0.444 273 Q N 0.223 119.990 119.800 -0.055 0.000 2.152 273 Q HA -0.143 4.201 4.340 0.007 0.000 0.206 273 Q C 1.779 177.772 176.000 -0.012 0.000 0.985 273 Q CA 2.396 58.193 55.803 -0.009 0.000 0.863 273 Q CB -0.678 28.054 28.738 -0.011 0.000 0.904 273 Q HN 0.371 nan 8.270 nan 0.000 0.422 274 V N -0.650 119.238 119.914 -0.043 0.000 2.307 274 V HA -0.230 3.894 4.120 0.007 0.000 0.245 274 V C 2.324 178.418 176.094 -0.000 0.000 1.045 274 V CA 1.587 63.869 62.300 -0.030 0.000 1.024 274 V CB -0.748 31.038 31.823 -0.063 0.000 0.651 274 V HN 0.277 nan 8.190 nan 0.000 0.449 275 V N 0.648 120.564 119.914 0.003 0.000 2.287 275 V HA -0.307 3.817 4.120 0.007 0.000 0.248 275 V C 2.784 178.918 176.094 0.067 0.000 1.053 275 V CA 2.218 64.539 62.300 0.036 0.000 1.027 275 V CB -1.379 30.437 31.823 -0.012 0.000 0.646 275 V HN 0.557 nan 8.190 nan 0.000 0.447 276 A N 0.883 123.761 122.820 0.097 0.000 1.908 276 A HA -0.291 4.033 4.320 0.007 0.000 0.218 276 A C 2.244 179.834 177.584 0.009 0.000 1.181 276 A CA 2.120 54.190 52.037 0.054 0.000 0.627 276 A CB -0.593 18.452 19.000 0.074 0.000 0.818 276 A HN 0.818 nan 8.150 nan 0.000 0.445 277 E N -0.515 119.699 120.200 0.023 0.000 2.153 277 E HA -0.228 4.126 4.350 0.007 0.000 0.194 277 E C 0.940 177.564 176.600 0.040 0.000 0.988 277 E CA 1.276 57.692 56.400 0.026 0.000 0.811 277 E CB -0.460 29.251 29.700 0.019 0.000 0.746 277 E HN 0.491 nan 8.360 nan 0.000 0.466 278 D N 1.183 121.607 120.400 0.040 0.000 2.178 278 D HA -0.062 4.582 4.640 0.007 0.000 0.202 278 D C 2.164 178.515 176.300 0.085 0.000 0.974 278 D CA 0.794 54.826 54.000 0.053 0.000 0.841 278 D CB -0.059 40.766 40.800 0.042 0.000 0.953 278 D HN 0.273 nan 8.370 nan 0.000 0.478 279 L N -0.036 121.233 121.223 0.076 0.000 2.156 279 L HA -0.076 4.268 4.340 0.007 0.000 0.208 279 L C 2.284 179.281 176.870 0.212 0.000 1.095 279 L CA 0.335 55.251 54.840 0.127 0.000 0.770 279 L CB -0.188 41.833 42.059 -0.063 0.000 0.914 279 L HN 0.047 nan 8.230 nan 0.000 0.439 280 L N -0.539 120.770 121.223 0.144 0.000 2.179 280 L HA 0.074 4.418 4.340 0.007 0.000 0.208 280 L C 1.476 178.425 176.870 0.130 0.000 1.096 280 L CA 0.723 55.672 54.840 0.180 0.000 0.779 280 L CB -0.110 42.023 42.059 0.122 0.000 0.922 280 L HN 0.035 nan 8.230 nan 0.000 0.443 281 S N 0.750 116.513 115.700 0.104 0.000 2.559 281 S HA 0.076 4.550 4.470 0.007 0.000 0.282 281 S C -2.222 172.438 174.600 0.099 0.000 1.336 281 S CA -0.767 57.484 58.200 0.085 0.000 1.037 281 S CB -0.089 63.154 63.200 0.072 0.000 0.853 281 S HN 0.140 nan 8.310 nan 0.000 0.523 282 P HA 0.019 nan 4.420 nan 0.000 0.261 282 P C -0.826 176.550 177.300 0.126 0.000 1.173 282 P CA 0.308 63.459 63.100 0.085 0.000 0.760 282 P CB 0.226 31.969 31.700 0.071 0.000 0.783 283 S N 2.174 117.960 115.700 0.143 0.000 2.448 283 S HA 0.175 4.649 4.470 0.007 0.000 0.279 283 S C 0.211 174.996 174.600 0.309 0.000 1.195 283 S CA -0.591 57.764 58.200 0.259 0.000 1.051 283 S CB 0.137 63.391 63.200 0.089 0.000 0.948 283 S HN 0.142 nan 8.310 nan 0.000 0.493 284 V N 5.067 125.162 119.914 0.301 0.000 2.455 284 V HA 0.311 4.435 4.120 0.007 0.000 0.273 284 V C 0.155 176.417 176.094 0.280 0.000 1.045 284 V CA -0.250 62.170 62.300 0.200 0.000 0.976 284 V CB 1.065 32.932 31.823 0.074 0.000 0.993 284 V HN 0.614 nan 8.190 nan 0.000 0.475 285 V N 4.942 124.971 119.914 0.193 0.000 2.577 285 V HA 0.471 4.595 4.120 0.007 0.000 0.303 285 V C -0.708 175.392 176.094 0.009 0.000 1.042 285 V CA -0.611 61.769 62.300 0.133 0.000 0.872 285 V CB 2.088 33.907 31.823 -0.007 0.000 0.998 285 V HN 0.914 nan 8.190 nan 0.000 0.423 286 D N 4.725 125.126 120.400 0.001 0.000 2.339 286 D HA 0.173 4.818 4.640 0.007 0.000 0.241 286 D C 0.706 176.975 176.300 -0.052 0.000 1.183 286 D CA 0.051 54.040 54.000 -0.020 0.000 0.859 286 D CB 1.777 42.589 40.800 0.020 0.000 1.067 286 D HN 0.593 nan 8.370 nan 0.000 0.484 287 V N 2.043 121.916 119.914 -0.070 0.000 3.249 287 V HA 0.491 4.615 4.120 0.007 0.000 0.338 287 V C 1.247 177.289 176.094 -0.088 0.000 1.363 287 V CA 0.528 62.780 62.300 -0.079 0.000 1.205 287 V CB -0.088 31.708 31.823 -0.045 0.000 1.164 287 V HN 0.727 nan 8.190 nan 0.000 0.458 288 G N 1.103 109.840 108.800 -0.106 0.000 4.677 288 G HA2 -0.323 3.641 3.960 0.007 0.000 0.215 288 G HA3 -0.323 3.641 3.960 0.007 0.000 0.215 288 G C 0.555 175.330 174.900 -0.208 0.000 1.506 288 G CA 0.488 45.507 45.100 -0.134 0.000 1.016 288 G HN 0.473 nan 8.290 nan 0.000 0.653 289 D N 0.770 120.983 120.400 -0.311 0.000 2.277 289 D HA 0.337 4.981 4.640 0.007 0.000 0.208 289 D C 0.516 176.255 176.300 -0.936 0.000 0.962 289 D CA 0.919 54.543 54.000 -0.627 0.000 0.865 289 D CB 0.060 40.406 40.800 -0.756 0.000 0.939 289 D HN 0.301 nan 8.370 nan 0.000 0.510 290 F N -0.922 118.872 119.950 -0.260 0.000 2.599 290 F HA 0.373 4.903 4.527 0.005 0.000 0.311 290 F C 0.088 175.773 175.800 -0.192 0.000 1.076 290 F CA -1.034 56.812 58.000 -0.258 0.000 0.937 290 F CB 1.736 40.474 39.000 -0.436 0.000 1.282 290 F HN -0.532 nan 8.300 nan 0.000 0.460 291 T N 4.118 118.718 114.554 0.076 0.000 2.771 291 T HA 0.721 5.075 4.350 0.007 0.000 0.281 291 T C -0.313 174.410 174.700 0.038 0.000 0.982 291 T CA -0.445 61.671 62.100 0.026 0.000 0.978 291 T CB 0.562 69.430 68.868 -0.000 0.000 0.930 291 T HN 0.547 nan 8.240 nan 0.000 0.447 292 I N -0.587 120.000 120.570 0.030 0.000 3.067 292 I HA 0.880 5.054 4.170 0.007 0.000 0.312 292 I C -0.411 175.747 176.117 0.069 0.000 1.073 292 I CA -1.012 60.313 61.300 0.041 0.000 1.016 292 I CB 2.384 40.414 38.000 0.051 0.000 1.227 292 I HN 0.492 nan 8.210 nan 0.000 0.456 293 S N 3.700 119.445 115.700 0.075 0.000 2.498 293 S HA 0.637 5.112 4.470 0.007 0.000 0.317 293 S C -0.784 173.883 174.600 0.111 0.000 1.090 293 S CA -0.682 57.576 58.200 0.096 0.000 1.089 293 S CB 0.721 63.964 63.200 0.071 0.000 0.997 293 S HN 0.470 nan 8.310 nan 0.000 0.470 294 I N 5.809 126.470 120.570 0.152 0.000 2.382 294 I HA 0.272 4.446 4.170 0.007 0.000 0.285 294 I C 0.605 176.788 176.117 0.110 0.000 1.007 294 I CA -0.596 60.801 61.300 0.161 0.000 1.142 294 I CB 1.278 39.444 38.000 0.275 0.000 1.289 294 I HN 0.806 nan 8.210 nan 0.000 0.453 295 N N 4.360 123.111 118.700 0.085 0.000 2.412 295 N HA 0.013 4.757 4.740 0.007 0.000 0.184 295 N C 0.266 175.794 175.510 0.030 0.000 1.101 295 N CA 0.472 53.553 53.050 0.053 0.000 0.881 295 N CB 0.520 39.031 38.487 0.041 0.000 0.969 295 N HN 0.439 nan 8.380 nan 0.000 0.459 296 E N -0.793 119.436 120.200 0.049 0.000 2.423 296 E HA 0.592 4.946 4.350 0.007 0.000 0.269 296 E C 0.291 176.919 176.600 0.046 0.000 0.948 296 E CA -0.286 56.119 56.400 0.008 0.000 0.802 296 E CB 1.888 31.581 29.700 -0.012 0.000 1.339 296 E HN 0.222 nan 8.360 nan 0.000 0.445 297 G N 0.135 108.884 108.800 -0.084 0.000 2.829 297 G HA2 -0.229 3.735 3.960 0.007 0.000 0.628 297 G HA3 -0.229 3.735 3.960 0.007 0.000 0.628 297 G C -1.057 173.693 174.900 -0.249 0.000 1.412 297 G CA -0.235 44.785 45.100 -0.134 0.000 0.864 297 G HN 0.413 nan 8.290 nan 0.000 0.544 298 L N 1.920 122.956 121.223 -0.311 0.000 2.287 298 L HA 0.640 4.984 4.340 0.007 0.000 0.287 298 L C -1.706 174.801 176.870 -0.605 0.000 1.022 298 L CA -2.297 52.212 54.840 -0.552 0.000 0.814 298 L CB 1.937 43.633 42.059 -0.605 0.000 1.217 298 L HN 0.425 nan 8.230 nan 0.000 0.420 299 P HA 0.102 nan 4.420 nan 0.000 0.244 299 P C -0.649 176.121 177.300 -0.884 0.000 1.769 299 P CA -0.259 61.731 63.100 -1.851 0.000 1.102 299 P CB 0.232 30.806 31.700 -1.876 0.000 1.937 300 S N 1.753 117.190 115.700 -0.438 0.000 2.596 300 S HA 0.282 4.756 4.470 0.007 0.000 0.298 300 S C 1.693 176.398 174.600 0.176 0.000 1.255 300 S CA 1.056 59.265 58.200 0.015 0.000 1.083 300 S CB -0.304 62.995 63.200 0.166 0.000 0.837 300 S HN 0.730 nan 8.310 nan 0.000 0.499 301 G N 1.776 110.682 108.800 0.177 0.000 2.284 301 G HA2 -0.223 3.741 3.960 0.007 0.000 0.201 301 G HA3 -0.223 3.741 3.960 0.007 0.000 0.201 301 G C 0.176 175.246 174.900 0.284 0.000 0.998 301 G CA -0.206 45.040 45.100 0.243 0.000 0.651 301 G HN 0.853 nan 8.290 nan 0.000 0.489 302 V N 2.974 123.051 119.914 0.271 0.000 2.901 302 V HA 0.453 4.577 4.120 0.007 0.000 0.307 302 V C -1.414 174.842 176.094 0.271 0.000 1.084 302 V CA -0.624 61.899 62.300 0.371 0.000 1.184 302 V CB 0.972 33.020 31.823 0.376 0.000 0.941 302 V HN 0.196 nan 8.190 nan 0.000 0.493 303 P HA 0.188 nan 4.420 nan 0.000 0.268 303 P C 0.366 177.757 177.300 0.151 0.000 1.208 303 P CA 0.121 63.324 63.100 0.172 0.000 0.777 303 P CB 0.142 31.931 31.700 0.149 0.000 0.875 304 C N -0.109 119.257 119.300 0.111 0.000 4.358 304 C HA -0.153 4.311 4.460 0.007 0.000 0.287 304 C C 2.266 177.358 174.990 0.169 0.000 1.414 304 C CA 1.206 60.266 59.018 0.070 0.000 1.949 304 C CB -3.381 24.305 27.740 -0.091 0.000 1.274 304 C HN 0.699 nan 8.230 nan 0.000 0.793 305 T N 0.515 115.188 114.554 0.199 0.000 2.624 305 T HA -0.238 4.116 4.350 0.007 0.000 0.268 305 T C 1.793 176.599 174.700 0.177 0.000 1.041 305 T CA 2.449 64.674 62.100 0.208 0.000 1.159 305 T CB -0.143 68.826 68.868 0.168 0.000 0.863 305 T HN 0.776 nan 8.240 nan 0.000 0.434 306 S N 0.863 116.644 115.700 0.136 0.000 2.356 306 S HA -0.133 4.341 4.470 0.007 0.000 0.223 306 S C 2.284 176.912 174.600 0.047 0.000 1.032 306 S CA 1.250 59.501 58.200 0.085 0.000 1.005 306 S CB -0.315 62.910 63.200 0.042 0.000 0.867 306 S HN 0.497 nan 8.310 nan 0.000 0.449 307 Q N -0.386 119.446 119.800 0.053 0.000 2.123 307 Q HA -0.033 4.311 4.340 0.007 0.000 0.199 307 Q C 1.758 177.856 176.000 0.163 0.000 0.966 307 Q CA 1.002 56.839 55.803 0.057 0.000 0.845 307 Q CB -0.289 28.454 28.738 0.009 0.000 0.907 307 Q HN 0.608 nan 8.270 nan 0.000 0.439 308 W N 1.833 123.105 121.300 -0.047 0.000 2.355 308 W HA -0.124 4.541 4.660 0.008 0.000 0.309 308 W C 1.509 178.052 176.519 0.040 0.000 1.206 308 W CA 1.339 58.660 57.345 -0.040 0.000 1.284 308 W CB -0.725 28.692 29.460 -0.072 0.000 1.145 308 W HN 0.159 nan 8.180 nan 0.000 0.502 309 N N -0.070 118.741 118.700 0.186 0.000 2.061 309 N HA -0.171 4.573 4.740 0.007 0.000 0.193 309 N C 1.863 177.483 175.510 0.183 0.000 1.030 309 N CA 2.290 55.453 53.050 0.188 0.000 0.856 309 N CB -0.853 37.738 38.487 0.173 0.000 1.023 309 N HN 0.051 nan 8.380 nan 0.000 0.424 310 S N 0.745 116.523 115.700 0.130 0.000 2.383 310 S HA 0.058 4.532 4.470 0.007 0.000 0.227 310 S C 2.127 176.829 174.600 0.171 0.000 1.026 310 S CA 0.489 58.752 58.200 0.105 0.000 0.981 310 S CB -0.032 63.215 63.200 0.080 0.000 0.818 310 S HN 0.278 nan 8.310 nan 0.000 0.472 311 I N 1.806 122.516 120.570 0.232 0.000 2.202 311 I HA -0.176 3.998 4.170 0.007 0.000 0.242 311 I C 2.740 178.969 176.117 0.186 0.000 1.091 311 I CA 1.026 62.487 61.300 0.268 0.000 1.368 311 I CB -0.538 37.587 38.000 0.210 0.000 1.058 311 I HN 0.253 nan 8.210 nan 0.000 0.410 312 A N 0.004 122.923 122.820 0.166 0.000 1.908 312 A HA -0.321 4.003 4.320 0.007 0.000 0.218 312 A C 2.208 179.862 177.584 0.116 0.000 1.181 312 A CA 2.126 54.218 52.037 0.091 0.000 0.627 312 A CB -1.246 17.759 19.000 0.008 0.000 0.818 312 A HN 0.543 nan 8.150 nan 0.000 0.445 313 H N -2.885 116.205 119.070 0.033 0.000 2.321 313 H HA -0.222 4.338 4.556 0.006 0.000 0.300 313 H C 1.962 176.975 175.328 -0.525 0.000 1.087 313 H CA 1.511 57.425 56.048 -0.223 0.000 1.319 313 H CB -0.168 29.230 29.762 -0.607 0.000 1.379 313 H HN 0.689 nan 8.280 nan 0.000 0.501 314 W N 1.577 122.524 121.300 -0.588 0.000 2.335 314 W HA -0.217 4.447 4.660 0.006 0.000 0.311 314 W C 1.969 178.405 176.519 -0.139 0.000 1.213 314 W CA 1.366 58.473 57.345 -0.397 0.000 1.274 314 W CB -0.908 28.535 29.460 -0.029 0.000 1.148 314 W HN 0.273 nan 8.180 nan 0.000 0.498 315 L N -0.173 121.098 121.223 0.081 0.000 2.012 315 L HA -0.280 4.064 4.340 0.007 0.000 0.210 315 L C 2.681 179.554 176.870 0.005 0.000 1.073 315 L CA 1.488 56.320 54.840 -0.014 0.000 0.748 315 L CB -1.133 40.892 42.059 -0.057 0.000 0.891 315 L HN -0.078 nan 8.230 nan 0.000 0.431 316 L N -1.119 120.105 121.223 0.001 0.000 2.046 316 L HA -0.197 4.147 4.340 0.007 0.000 0.208 316 L C 2.587 179.558 176.870 0.167 0.000 1.077 316 L CA 1.457 56.315 54.840 0.029 0.000 0.747 316 L CB -0.722 41.341 42.059 0.007 0.000 0.896 316 L HN 0.250 nan 8.230 nan 0.000 0.432 317 T N -0.062 114.570 114.554 0.131 0.000 2.777 317 T HA -0.114 4.240 4.350 0.007 0.000 0.266 317 T C 1.968 176.757 174.700 0.147 0.000 1.040 317 T CA 1.038 63.224 62.100 0.144 0.000 1.141 317 T CB -0.174 68.707 68.868 0.023 0.000 0.868 317 T HN 0.163 nan 8.240 nan 0.000 0.444 318 L N 0.392 121.708 121.223 0.156 0.000 2.046 318 L HA -0.141 4.203 4.340 0.007 0.000 0.208 318 L C 2.874 179.859 176.870 0.192 0.000 1.077 318 L CA 1.033 56.011 54.840 0.230 0.000 0.747 318 L CB -0.601 41.604 42.059 0.242 0.000 0.896 318 L HN 0.394 nan 8.230 nan 0.000 0.432 319 C N -0.591 118.808 119.300 0.164 0.000 2.432 319 C HA -0.140 4.324 4.460 0.007 0.000 0.277 319 C C 3.122 178.280 174.990 0.280 0.000 1.249 319 C CA 0.763 59.891 59.018 0.182 0.000 1.725 319 C CB -1.006 26.786 27.740 0.087 0.000 2.028 319 C HN 0.629 nan 8.230 nan 0.000 0.477 320 A N 0.172 123.200 122.820 0.348 0.000 1.898 320 A HA -0.072 4.252 4.320 0.007 0.000 0.216 320 A C 2.096 179.762 177.584 0.136 0.000 1.181 320 A CA 1.402 53.566 52.037 0.212 0.000 0.620 320 A CB -0.597 18.501 19.000 0.164 0.000 0.819 320 A HN 0.613 nan 8.150 nan 0.000 0.442 321 L N -0.787 120.543 121.223 0.179 0.000 2.093 321 L HA -0.139 4.205 4.340 0.007 0.000 0.208 321 L C 2.914 179.869 176.870 0.141 0.000 1.085 321 L CA 1.415 56.358 54.840 0.172 0.000 0.755 321 L CB -0.430 41.776 42.059 0.245 0.000 0.904 321 L HN 0.500 nan 8.230 nan 0.000 0.435 322 S N -0.209 115.581 115.700 0.150 0.000 2.356 322 S HA -0.203 4.271 4.470 0.007 0.000 0.223 322 S C 1.879 176.534 174.600 0.093 0.000 1.032 322 S CA 1.430 59.703 58.200 0.121 0.000 1.005 322 S CB -0.112 63.161 63.200 0.121 0.000 0.867 322 S HN 0.419 nan 8.310 nan 0.000 0.449 323 E N 0.378 120.637 120.200 0.098 0.000 2.110 323 E HA -0.108 4.246 4.350 0.007 0.000 0.193 323 E C 2.162 178.784 176.600 0.036 0.000 0.988 323 E CA 1.625 58.067 56.400 0.070 0.000 0.804 323 E CB -0.295 29.457 29.700 0.086 0.000 0.745 323 E HN 0.674 nan 8.360 nan 0.000 0.458 324 V N -0.705 119.226 119.914 0.028 0.000 3.217 324 V HA -0.022 4.102 4.120 0.007 0.000 0.264 324 V C 1.970 178.072 176.094 0.014 0.000 1.135 324 V CA 1.662 63.965 62.300 0.005 0.000 1.142 324 V CB -0.366 31.447 31.823 -0.015 0.000 0.754 324 V HN 0.250 nan 8.190 nan 0.000 0.484 325 T N -4.193 110.382 114.554 0.035 0.000 2.985 325 T HA 0.194 4.548 4.350 0.007 0.000 0.254 325 T C 0.869 175.591 174.700 0.037 0.000 1.021 325 T CA 0.393 62.514 62.100 0.035 0.000 0.957 325 T CB -0.379 68.521 68.868 0.053 0.000 1.047 325 T HN 0.424 nan 8.240 nan 0.000 0.511 326 N N 1.337 120.061 118.700 0.040 0.000 2.714 326 N HA -0.116 4.628 4.740 0.007 0.000 0.250 326 N C -0.735 174.802 175.510 0.045 0.000 1.117 326 N CA 0.550 53.623 53.050 0.039 0.000 0.719 326 N CB -1.735 36.769 38.487 0.028 0.000 1.081 326 N HN 0.559 nan 8.380 nan 0.000 0.557 327 L N 0.447 121.704 121.223 0.057 0.000 2.334 327 L HA 0.392 4.736 4.340 0.007 0.000 0.276 327 L C 1.020 177.934 176.870 0.073 0.000 1.014 327 L CA -0.780 54.098 54.840 0.063 0.000 0.815 327 L CB 1.743 43.844 42.059 0.070 0.000 1.268 327 L HN 0.124 nan 8.230 nan 0.000 0.428 328 S N 1.285 117.026 115.700 0.067 0.000 2.579 328 S HA 0.205 4.679 4.470 0.007 0.000 0.275 328 S C -1.939 172.717 174.600 0.093 0.000 1.345 328 S CA -0.936 57.306 58.200 0.070 0.000 1.031 328 S CB 0.860 64.093 63.200 0.056 0.000 0.892 328 S HN 0.425 nan 8.310 nan 0.000 0.529 329 P HA -0.125 nan 4.420 nan 0.000 0.217 329 P C 0.789 178.169 177.300 0.133 0.000 1.151 329 P CA 1.370 64.550 63.100 0.133 0.000 0.849 329 P CB -0.049 31.714 31.700 0.105 0.000 0.787 330 D N -1.236 119.221 120.400 0.094 0.000 2.123 330 D HA -0.137 4.507 4.640 0.007 0.000 0.196 330 D C 1.752 178.102 176.300 0.083 0.000 0.992 330 D CA 1.044 55.093 54.000 0.083 0.000 0.833 330 D CB -0.647 40.189 40.800 0.059 0.000 0.954 330 D HN 0.058 nan 8.370 nan 0.000 0.455 331 I N 0.690 121.308 120.570 0.080 0.000 2.252 331 I HA -0.184 3.990 4.170 0.007 0.000 0.245 331 I C 2.109 178.280 176.117 0.090 0.000 1.102 331 I CA 0.494 61.839 61.300 0.075 0.000 1.385 331 I CB -0.236 37.804 38.000 0.067 0.000 1.064 331 I HN 0.045 nan 8.210 nan 0.000 0.414 332 I N -0.096 120.548 120.570 0.122 0.000 2.163 332 I HA -0.308 3.866 4.170 0.007 0.000 0.243 332 I C 2.513 178.702 176.117 0.120 0.000 1.085 332 I CA 1.528 62.924 61.300 0.159 0.000 1.347 332 I CB -1.346 36.799 38.000 0.243 0.000 1.044 332 I HN 0.317 nan 8.210 nan 0.000 0.408 333 Q N 1.186 121.067 119.800 0.135 0.000 2.084 333 Q HA -0.083 4.261 4.340 0.007 0.000 0.202 333 Q C 2.249 178.226 176.000 -0.038 0.000 0.978 333 Q CA 2.153 57.986 55.803 0.050 0.000 0.844 333 Q CB -0.305 28.538 28.738 0.174 0.000 0.898 333 Q HN 0.459 nan 8.270 nan 0.000 0.426 334 A N 0.356 123.191 122.820 0.025 0.000 1.978 334 A HA -0.141 4.183 4.320 0.007 0.000 0.220 334 A C 1.433 179.041 177.584 0.040 0.000 1.170 334 A CA 1.672 53.724 52.037 0.026 0.000 0.636 334 A CB -0.324 18.700 19.000 0.040 0.000 0.810 334 A HN 0.477 nan 8.150 nan 0.000 0.448 335 N N -0.257 118.471 118.700 0.048 0.000 2.275 335 N HA 0.179 4.923 4.740 0.007 0.000 0.236 335 N C -0.822 174.749 175.510 0.102 0.000 1.154 335 N CA 0.213 53.335 53.050 0.121 0.000 0.866 335 N CB 0.757 39.309 38.487 0.109 0.000 1.093 335 N HN 0.277 nan 8.380 nan 0.000 0.515 336 S N 0.398 115.994 115.700 -0.173 0.000 2.618 336 S HA 0.592 5.066 4.470 0.007 0.000 0.277 336 S C -1.258 172.713 174.600 -1.049 0.000 1.138 336 S CA -0.589 57.249 58.200 -0.604 0.000 0.844 336 S CB 2.561 65.487 63.200 -0.456 0.000 1.127 336 S HN 0.104 nan 8.310 nan 0.000 0.474 337 L N 2.098 122.537 121.223 -1.307 0.000 2.438 337 L HA 0.720 5.064 4.340 0.007 0.000 0.270 337 L C -2.061 174.264 176.870 -0.908 0.000 0.972 337 L CA -0.253 53.888 54.840 -1.165 0.000 0.831 337 L CB 0.871 42.220 42.059 -1.183 0.000 1.273 337 L HN 0.542 nan 8.230 nan 0.000 0.405 338 F N 1.972 121.528 119.950 -0.657 0.000 2.458 338 F HA 0.718 5.249 4.527 0.007 0.000 0.330 338 F C 0.391 175.682 175.800 -0.848 0.000 1.082 338 F CA -1.019 56.484 58.000 -0.829 0.000 0.995 338 F CB 2.164 40.496 39.000 -1.113 0.000 1.170 338 F HN 0.327 nan 8.300 nan 0.000 0.478 339 S N 2.435 117.704 115.700 -0.718 0.000 2.707 339 S HA 0.716 5.190 4.470 0.007 0.000 0.303 339 S C -1.457 172.688 174.600 -0.758 0.000 1.132 339 S CA -0.442 57.333 58.200 -0.709 0.000 1.046 339 S CB 0.415 63.125 63.200 -0.818 0.000 1.004 339 S HN 0.300 nan 8.310 nan 0.000 0.483 340 F N 2.303 122.202 119.950 -0.085 0.000 2.540 340 F HA 0.543 5.075 4.527 0.007 0.000 0.317 340 F C -0.593 175.337 175.800 0.218 0.000 1.104 340 F CA -1.115 56.867 58.000 -0.030 0.000 0.913 340 F CB 1.215 40.021 39.000 -0.324 0.000 1.170 340 F HN 0.507 nan 8.300 nan 0.000 0.450 341 Y N 1.931 122.408 120.300 0.296 0.000 2.373 341 Y HA 0.523 5.077 4.550 0.006 0.000 0.327 341 Y C 0.449 176.340 175.900 -0.015 0.000 1.036 341 Y CA -0.355 57.797 58.100 0.087 0.000 1.265 341 Y CB 1.087 39.493 38.460 -0.091 0.000 1.108 341 Y HN 0.856 nan 8.280 nan 0.000 0.471 342 G N 4.555 113.452 108.800 0.162 0.000 2.602 342 G HA2 -0.422 3.542 3.960 0.007 0.000 0.310 342 G HA3 -0.422 3.542 3.960 0.007 0.000 0.310 342 G C 0.855 175.565 174.900 -0.318 0.000 1.183 342 G CA 0.967 46.052 45.100 -0.025 0.000 0.979 342 G HN 0.746 nan 8.290 nan 0.000 0.545 343 D N 1.600 121.689 120.400 -0.518 0.000 2.360 343 D HA 0.168 4.812 4.640 0.007 0.000 0.210 343 D C 0.305 176.615 176.300 0.018 0.000 1.047 343 D CA 0.669 54.192 54.000 -0.794 0.000 0.854 343 D CB -0.272 40.067 40.800 -0.768 0.000 0.936 343 D HN 0.363 nan 8.370 nan 0.000 0.514 344 D N 1.351 121.808 120.400 0.096 0.000 2.424 344 D HA 0.239 4.883 4.640 0.007 0.000 0.244 344 D C 0.107 176.685 176.300 0.463 0.000 1.134 344 D CA 0.380 54.503 54.000 0.205 0.000 0.881 344 D CB 0.724 41.475 40.800 -0.083 0.000 1.191 344 D HN 0.411 nan 8.370 nan 0.000 0.445 345 E N 1.143 121.630 120.200 0.478 0.000 2.343 345 E HA 0.599 4.953 4.350 0.007 0.000 0.278 345 E C -1.249 175.415 176.600 0.107 0.000 0.910 345 E CA -0.828 55.774 56.400 0.337 0.000 0.757 345 E CB 1.425 31.375 29.700 0.417 0.000 1.218 345 E HN 0.254 nan 8.360 nan 0.000 0.435 346 I N 2.285 122.705 120.570 -0.249 0.000 2.466 346 I HA 0.374 4.548 4.170 0.007 0.000 0.289 346 I C -1.033 174.864 176.117 -0.367 0.000 1.026 346 I CA -1.318 59.762 61.300 -0.367 0.000 1.078 346 I CB 2.138 39.760 38.000 -0.631 0.000 1.249 346 I HN 0.392 nan 8.210 nan 0.000 0.429 347 V N 4.871 124.526 119.914 -0.432 0.000 2.409 347 V HA 0.448 4.572 4.120 0.007 0.000 0.291 347 V C -0.160 175.804 176.094 -0.216 0.000 1.020 347 V CA -0.346 61.740 62.300 -0.356 0.000 0.848 347 V CB 1.787 33.184 31.823 -0.710 0.000 0.990 347 V HN 0.756 nan 8.190 nan 0.000 0.430 348 S N 2.846 118.492 115.700 -0.090 0.000 2.503 348 S HA 0.833 5.307 4.470 0.007 0.000 0.301 348 S C -0.275 174.139 174.600 -0.310 0.000 1.087 348 S CA -0.557 57.578 58.200 -0.108 0.000 1.042 348 S CB 2.018 65.261 63.200 0.072 0.000 1.043 348 S HN 0.857 nan 8.310 nan 0.000 0.489 349 T N 0.451 114.941 114.554 -0.107 0.000 2.885 349 T HA 0.321 4.675 4.350 0.007 0.000 0.322 349 T C -1.068 173.791 174.700 0.266 0.000 1.387 349 T CA -0.542 61.584 62.100 0.044 0.000 1.041 349 T CB 1.399 70.333 68.868 0.111 0.000 1.287 349 T HN 0.412 nan 8.240 nan 0.000 0.491 350 D N 1.838 122.422 120.400 0.307 0.000 2.349 350 D HA 0.274 4.918 4.640 0.007 0.000 0.214 350 D C 0.445 176.922 176.300 0.294 0.000 1.063 350 D CA 0.306 54.455 54.000 0.249 0.000 0.847 350 D CB 0.231 41.120 40.800 0.149 0.000 0.933 350 D HN 0.512 nan 8.370 nan 0.000 0.513 351 I N 1.256 121.983 120.570 0.262 0.000 2.342 351 I HA 0.061 4.235 4.170 0.007 0.000 0.291 351 I C 0.594 176.750 176.117 0.065 0.000 1.010 351 I CA -0.861 60.540 61.300 0.168 0.000 1.308 351 I CB 1.017 39.090 38.000 0.121 0.000 1.400 351 I HN -0.376 nan 8.210 nan 0.000 0.488 352 K N 7.490 127.879 120.400 -0.018 0.000 2.412 352 K HA 0.372 4.696 4.320 0.007 0.000 0.284 352 K C -1.276 175.195 176.600 -0.215 0.000 1.046 352 K CA 0.387 56.499 56.287 -0.290 0.000 0.999 352 K CB 0.199 32.627 32.500 -0.119 0.000 0.941 352 K HN 0.495 nan 8.250 nan 0.000 0.474 353 L N 2.912 123.952 121.223 -0.304 0.000 2.346 353 L HA 0.371 4.715 4.340 0.007 0.000 0.274 353 L C -0.313 176.467 176.870 -0.149 0.000 1.007 353 L CA -1.168 53.579 54.840 -0.155 0.000 0.818 353 L CB 1.773 43.776 42.059 -0.093 0.000 1.284 353 L HN 0.625 nan 8.230 nan 0.000 0.424 354 D N 3.920 124.261 120.400 -0.099 0.000 2.339 354 D HA 0.155 4.799 4.640 0.007 0.000 0.241 354 D C -1.623 174.618 176.300 -0.099 0.000 1.183 354 D CA -1.819 52.129 54.000 -0.087 0.000 0.859 354 D CB 1.713 42.474 40.800 -0.064 0.000 1.067 354 D HN 0.244 nan 8.370 nan 0.000 0.484 355 P HA -0.102 nan 4.420 nan 0.000 0.221 355 P C 1.027 178.258 177.300 -0.115 0.000 1.150 355 P CA 0.774 63.797 63.100 -0.128 0.000 0.800 355 P CB 0.646 32.285 31.700 -0.101 0.000 0.787 356 E N 0.113 120.261 120.200 -0.086 0.000 2.158 356 E HA -0.081 4.273 4.350 0.007 0.000 0.191 356 E C 1.990 178.543 176.600 -0.078 0.000 0.982 356 E CA 0.882 57.238 56.400 -0.074 0.000 0.823 356 E CB -0.057 29.610 29.700 -0.056 0.000 0.766 356 E HN 0.194 nan 8.360 nan 0.000 0.468 357 K N -0.066 120.287 120.400 -0.078 0.000 2.167 357 K HA -0.072 4.252 4.320 0.007 0.000 0.203 357 K C 2.011 178.554 176.600 -0.096 0.000 1.052 357 K CA 0.410 56.651 56.287 -0.077 0.000 0.956 357 K CB 0.051 32.514 32.500 -0.062 0.000 0.735 357 K HN 0.069 nan 8.250 nan 0.000 0.451 358 L N 1.212 122.370 121.223 -0.109 0.000 2.044 358 L HA -0.113 4.231 4.340 0.007 0.000 0.205 358 L C 1.927 178.716 176.870 -0.135 0.000 1.075 358 L CA 1.917 56.682 54.840 -0.125 0.000 0.747 358 L CB -0.689 41.270 42.059 -0.166 0.000 0.903 358 L HN 0.054 nan 8.230 nan 0.000 0.435 359 T N -0.003 114.468 114.554 -0.139 0.000 2.759 359 T HA -0.170 4.184 4.350 0.007 0.000 0.269 359 T C 1.861 176.502 174.700 -0.098 0.000 1.042 359 T CA 1.375 63.406 62.100 -0.115 0.000 1.140 359 T CB -0.548 68.254 68.868 -0.109 0.000 0.864 359 T HN 0.511 nan 8.240 nan 0.000 0.455 360 A N 1.240 123.997 122.820 -0.104 0.000 1.968 360 A HA 0.020 4.344 4.320 0.007 0.000 0.217 360 A C 2.196 179.689 177.584 -0.152 0.000 1.169 360 A CA 1.576 53.550 52.037 -0.104 0.000 0.638 360 A CB -0.377 18.571 19.000 -0.087 0.000 0.812 360 A HN 0.329 nan 8.150 nan 0.000 0.446 361 K N 0.328 120.609 120.400 -0.199 0.000 2.057 361 K HA 0.051 4.375 4.320 0.007 0.000 0.206 361 K C 1.685 177.961 176.600 -0.541 0.000 1.050 361 K CA 1.261 57.331 56.287 -0.362 0.000 0.935 361 K CB -0.620 31.686 32.500 -0.324 0.000 0.715 361 K HN 0.449 nan 8.250 nan 0.000 0.439 362 L N 0.496 121.547 121.223 -0.286 0.000 2.042 362 L HA -0.196 4.148 4.340 0.007 0.000 0.210 362 L C 2.334 179.168 176.870 -0.059 0.000 1.076 362 L CA 1.609 56.380 54.840 -0.114 0.000 0.749 362 L CB -0.396 41.720 42.059 0.095 0.000 0.893 362 L HN 0.156 nan 8.230 nan 0.000 0.432 363 K N -0.194 120.164 120.400 -0.069 0.000 2.097 363 K HA -0.224 4.101 4.320 0.007 0.000 0.206 363 K C 2.042 178.608 176.600 -0.056 0.000 1.049 363 K CA 1.266 57.527 56.287 -0.042 0.000 0.933 363 K CB -0.130 32.343 32.500 -0.046 0.000 0.717 363 K HN 0.309 nan 8.250 nan 0.000 0.442 364 E N 0.279 120.409 120.200 -0.117 0.000 2.118 364 E HA -0.209 4.145 4.350 0.007 0.000 0.195 364 E C 1.137 177.757 176.600 0.033 0.000 0.992 364 E CA 1.174 57.523 56.400 -0.084 0.000 0.804 364 E CB 0.037 29.643 29.700 -0.157 0.000 0.741 364 E HN 0.318 nan 8.360 nan 0.000 0.458 365 Y N -0.532 119.736 120.300 -0.052 0.000 2.632 365 Y HA 0.156 4.710 4.550 0.008 0.000 0.301 365 Y C 1.777 177.603 175.900 -0.124 0.000 1.172 365 Y CA 0.757 58.806 58.100 -0.086 0.000 1.328 365 Y CB -0.050 38.355 38.460 -0.092 0.000 1.016 365 Y HN 0.276 nan 8.280 nan 0.000 0.529 366 G N -0.291 108.529 108.800 0.034 0.000 2.176 366 G HA2 -0.270 3.694 3.960 0.007 0.000 0.253 366 G HA3 -0.270 3.694 3.960 0.007 0.000 0.253 366 G C 0.165 175.020 174.900 -0.076 0.000 0.979 366 G CA 0.108 45.180 45.100 -0.046 0.000 0.641 366 G HN 0.274 nan 8.290 nan 0.000 0.530 367 L N 0.049 121.254 121.223 -0.030 0.000 2.453 367 L HA 0.494 4.838 4.340 0.007 0.000 0.261 367 L C 0.713 177.651 176.870 0.113 0.000 1.179 367 L CA -0.313 54.534 54.840 0.011 0.000 0.813 367 L CB 0.612 42.718 42.059 0.077 0.000 1.110 367 L HN -0.095 nan 8.230 nan 0.000 0.466 368 K N 2.460 122.991 120.400 0.217 0.000 2.682 368 K HA 0.321 4.645 4.320 0.007 0.000 0.189 368 K C -2.541 174.136 176.600 0.128 0.000 1.062 368 K CA -1.554 54.813 56.287 0.134 0.000 0.997 368 K CB 1.021 33.565 32.500 0.073 0.000 1.405 368 K HN 0.262 nan 8.250 nan 0.000 0.588 369 P HA 0.035 nan 4.420 nan 0.000 0.271 369 P C -0.179 176.993 177.300 -0.214 0.000 1.216 369 P CA 0.189 63.077 63.100 -0.352 0.000 0.776 369 P CB 0.917 32.452 31.700 -0.275 0.000 0.881 370 T N -0.144 114.259 114.554 -0.251 0.000 2.896 370 T HA 0.608 4.962 4.350 0.007 0.000 0.297 370 T C -0.129 174.510 174.700 -0.101 0.000 1.108 370 T CA -1.243 60.785 62.100 -0.121 0.000 1.004 370 T CB 1.091 69.922 68.868 -0.061 0.000 1.159 370 T HN 0.184 nan 8.240 nan 0.000 0.499 371 R N 1.968 122.436 120.500 -0.052 0.000 2.623 371 R HA 0.295 4.639 4.340 0.007 0.000 0.271 371 R C -2.009 174.285 176.300 -0.010 0.000 1.043 371 R CA -1.359 54.728 56.100 -0.021 0.000 1.083 371 R CB -0.695 29.599 30.300 -0.009 0.000 0.974 371 R HN 0.387 nan 8.270 nan 0.000 0.436 372 P HA -0.153 nan 4.420 nan 0.000 0.220 372 P C -0.026 177.283 177.300 0.015 0.000 1.148 372 P CA 1.250 64.360 63.100 0.017 0.000 0.803 372 P CB 0.092 31.809 31.700 0.028 0.000 0.782 373 D N -0.054 120.353 120.400 0.011 0.000 2.347 373 D HA -0.111 4.533 4.640 0.007 0.000 0.213 373 D C 0.560 176.867 176.300 0.011 0.000 0.985 373 D CA 0.214 54.221 54.000 0.012 0.000 0.879 373 D CB -1.013 39.792 40.800 0.008 0.000 0.919 373 D HN 0.154 nan 8.370 nan 0.000 0.526 374 K N -0.770 119.633 120.400 0.005 0.000 3.003 374 K HA -0.210 4.114 4.320 0.007 0.000 0.257 374 K C -0.908 175.692 176.600 -0.000 0.000 0.958 374 K CA 1.205 57.492 56.287 -0.000 0.000 0.707 374 K CB -3.218 29.284 32.500 0.003 0.000 1.279 374 K HN 0.241 nan 8.250 nan 0.000 0.479 375 T N -0.499 114.055 114.554 -0.000 0.000 3.233 375 T HA 0.334 4.688 4.350 0.007 0.000 0.324 375 T C -0.460 174.239 174.700 -0.002 0.000 0.992 375 T CA -0.347 61.753 62.100 -0.000 0.000 1.414 375 T CB 1.181 70.051 68.868 0.004 0.000 0.935 375 T HN 0.470 nan 8.240 nan 0.000 0.544 376 E N 1.343 121.540 120.200 -0.006 0.000 3.807 376 E HA 0.517 4.871 4.350 0.007 0.000 0.198 376 E C 0.520 177.114 176.600 -0.011 0.000 1.253 376 E CA 0.254 56.650 56.400 -0.006 0.000 1.158 376 E CB -0.005 29.693 29.700 -0.004 0.000 2.770 376 E HN 0.467 nan 8.360 nan 0.000 0.897 377 G N 0.425 109.215 108.800 -0.016 0.000 3.508 377 G HA2 0.444 4.408 3.960 0.007 0.000 0.172 377 G HA3 0.444 4.408 3.960 0.007 0.000 0.172 377 G C -2.458 172.423 174.900 -0.032 0.000 1.231 377 G CA -0.080 45.007 45.100 -0.022 0.000 1.218 377 G HN 0.339 nan 8.290 nan 0.000 0.709 378 P HA 0.461 nan 4.420 nan 0.000 0.317 378 P C -0.278 176.985 177.300 -0.061 0.000 1.307 378 P CA -0.659 62.408 63.100 -0.054 0.000 0.749 378 P CB 0.814 32.479 31.700 -0.057 0.000 1.377 379 L N -0.208 120.960 121.223 -0.092 0.000 2.410 379 L HA 0.166 4.510 4.340 0.007 0.000 0.273 379 L C -0.036 176.790 176.870 -0.072 0.000 1.152 379 L CA -0.398 54.379 54.840 -0.105 0.000 0.855 379 L CB 0.536 42.465 42.059 -0.218 0.000 1.129 379 L HN 0.015 nan 8.230 nan 0.000 0.463 380 V N 5.682 125.589 119.914 -0.012 0.000 2.347 380 V HA 0.336 4.460 4.120 0.007 0.000 0.280 380 V C 0.248 176.394 176.094 0.087 0.000 1.021 380 V CA -0.386 61.930 62.300 0.025 0.000 0.847 380 V CB 1.599 33.443 31.823 0.035 0.000 0.990 380 V HN 0.476 nan 8.190 nan 0.000 0.444 381 I N 4.296 124.914 120.570 0.080 0.000 2.312 381 I HA 0.354 4.528 4.170 0.007 0.000 0.291 381 I C 0.523 176.745 176.117 0.175 0.000 1.031 381 I CA 0.450 61.845 61.300 0.159 0.000 1.293 381 I CB 1.410 39.472 38.000 0.104 0.000 1.403 381 I HN 0.625 nan 8.210 nan 0.000 0.484 382 S N 4.287 120.118 115.700 0.219 0.000 2.621 382 S HA 0.352 4.826 4.470 0.007 0.000 0.302 382 S C 0.522 175.284 174.600 0.270 0.000 1.093 382 S CA -0.591 57.734 58.200 0.207 0.000 1.017 382 S CB 1.393 64.691 63.200 0.162 0.000 1.077 382 S HN 0.669 nan 8.310 nan 0.000 0.517 383 E N 0.957 121.286 120.200 0.216 0.000 2.463 383 E HA 0.143 4.497 4.350 0.007 0.000 0.193 383 E C -0.982 175.759 176.600 0.236 0.000 1.041 383 E CA 0.054 56.555 56.400 0.167 0.000 0.879 383 E CB 0.368 30.105 29.700 0.063 0.000 0.997 383 E HN 0.490 nan 8.360 nan 0.000 0.478 384 D N 0.397 120.946 120.400 0.248 0.000 2.696 384 D HA 0.068 4.713 4.640 0.007 0.000 0.251 384 D C 0.170 176.492 176.300 0.036 0.000 1.188 384 D CA -0.534 53.563 54.000 0.162 0.000 0.876 384 D CB 1.719 42.586 40.800 0.110 0.000 1.334 384 D HN -0.103 nan 8.370 nan 0.000 0.540 385 L N 4.156 125.258 121.223 -0.203 0.000 2.141 385 L HA 0.189 4.533 4.340 0.007 0.000 0.209 385 L C 0.376 177.150 176.870 -0.160 0.000 1.094 385 L CA 0.898 55.434 54.840 -0.505 0.000 0.763 385 L CB -0.901 40.576 42.059 -0.970 0.000 0.908 385 L HN 0.458 nan 8.230 nan 0.000 0.437 386 N N 0.103 118.874 118.700 0.119 0.000 2.294 386 N HA 0.276 5.020 4.740 0.007 0.000 0.263 386 N C 1.050 176.543 175.510 -0.027 0.000 1.281 386 N CA 1.462 54.566 53.050 0.090 0.000 0.846 386 N CB 0.226 38.746 38.487 0.055 0.000 1.061 386 N HN 0.474 nan 8.380 nan 0.000 0.478 387 G N 1.498 110.250 108.800 -0.080 0.000 2.213 387 G HA2 -0.258 3.706 3.960 0.007 0.000 0.236 387 G HA3 -0.258 3.706 3.960 0.007 0.000 0.236 387 G C -0.101 174.745 174.900 -0.090 0.000 0.991 387 G CA -0.097 44.957 45.100 -0.077 0.000 0.629 387 G HN 0.506 nan 8.290 nan 0.000 0.517 388 L N 1.950 123.092 121.223 -0.134 0.000 2.464 388 L HA 0.615 4.959 4.340 0.007 0.000 0.264 388 L C 1.295 178.075 176.870 -0.151 0.000 1.199 388 L CA 1.113 55.870 54.840 -0.138 0.000 0.818 388 L CB 1.047 42.986 42.059 -0.199 0.000 1.102 388 L HN 0.510 nan 8.230 nan 0.000 0.473 389 T N -1.094 113.417 114.554 -0.072 0.000 2.908 389 T HA 0.738 5.092 4.350 0.007 0.000 0.290 389 T C -0.956 173.810 174.700 0.110 0.000 1.034 389 T CA -0.638 61.449 62.100 -0.021 0.000 1.010 389 T CB 1.530 70.396 68.868 -0.004 0.000 1.068 389 T HN 0.283 nan 8.240 nan 0.000 0.481 390 F N 3.322 123.228 119.950 -0.072 0.000 2.670 390 F HA 0.448 4.979 4.527 0.007 0.000 0.332 390 F C -0.302 175.502 175.800 0.007 0.000 1.179 390 F CA -1.565 56.424 58.000 -0.017 0.000 1.076 390 F CB 0.923 39.934 39.000 0.018 0.000 1.322 390 F HN 0.822 nan 8.300 nan 0.000 0.515 391 L N 6.753 127.703 121.223 -0.455 0.000 3.634 391 L HA -0.330 4.014 4.340 0.007 0.000 0.423 391 L C 0.952 177.731 176.870 -0.153 0.000 1.253 391 L CA 0.885 55.492 54.840 -0.387 0.000 0.885 391 L CB -1.351 40.430 42.059 -0.464 0.000 1.789 391 L HN 0.907 nan 8.230 nan 0.000 0.904 392 R N -1.971 118.474 120.500 -0.092 0.000 3.953 392 R HA -0.174 4.170 4.340 0.007 0.000 0.340 392 R C 0.467 176.766 176.300 -0.002 0.000 1.195 392 R CA 1.551 57.629 56.100 -0.036 0.000 0.929 392 R CB -0.766 29.512 30.300 -0.036 0.000 1.402 392 R HN 0.544 nan 8.270 nan 0.000 0.540 393 R N -0.121 120.388 120.500 0.014 0.000 2.514 393 R HA 0.320 4.664 4.340 0.007 0.000 0.301 393 R C -0.385 175.904 176.300 -0.019 0.000 0.962 393 R CA -0.432 55.687 56.100 0.032 0.000 0.882 393 R CB 1.735 32.093 30.300 0.097 0.000 1.143 393 R HN -0.114 nan 8.270 nan 0.000 0.452 394 T N 2.771 117.287 114.554 -0.064 0.000 2.771 394 T HA 0.173 4.527 4.350 0.007 0.000 0.291 394 T C 0.065 174.612 174.700 -0.255 0.000 0.954 394 T CA -0.689 61.330 62.100 -0.135 0.000 1.045 394 T CB 0.942 69.747 68.868 -0.105 0.000 0.917 394 T HN 0.406 nan 8.240 nan 0.000 0.484 395 V N 2.765 122.460 119.914 -0.366 0.000 2.508 395 V HA 0.649 4.773 4.120 0.007 0.000 0.281 395 V C -0.043 175.864 176.094 -0.312 0.000 1.041 395 V CA -0.262 61.710 62.300 -0.546 0.000 1.016 395 V CB 0.238 31.506 31.823 -0.925 0.000 0.984 395 V HN 0.882 nan 8.190 nan 0.000 0.478 396 T N 5.364 119.695 114.554 -0.372 0.000 2.909 396 T HA 0.603 4.957 4.350 0.007 0.000 0.299 396 T C -0.588 173.816 174.700 -0.494 0.000 1.073 396 T CA -0.685 61.118 62.100 -0.495 0.000 0.999 396 T CB 2.105 70.440 68.868 -0.888 0.000 1.098 396 T HN 0.897 nan 8.240 nan 0.000 0.477 397 R N 1.521 121.696 120.500 -0.543 0.000 2.670 397 R HA 0.614 4.958 4.340 0.007 0.000 0.289 397 R C -1.427 174.737 176.300 -0.227 0.000 0.965 397 R CA -0.576 55.122 56.100 -0.670 0.000 0.899 397 R CB 1.322 30.676 30.300 -1.576 0.000 1.173 397 R HN 0.912 nan 8.270 nan 0.000 0.456 398 D N 2.835 123.225 120.400 -0.017 0.000 2.714 398 D HA 0.371 5.015 4.640 0.007 0.000 0.278 398 D C -2.130 174.162 176.300 -0.014 0.000 1.102 398 D CA -1.691 52.331 54.000 0.037 0.000 1.108 398 D CB 0.580 41.499 40.800 0.198 0.000 1.444 398 D HN 0.137 nan 8.370 nan 0.000 0.568 399 P HA -0.039 nan 4.420 nan 0.000 0.218 399 P C 1.017 178.337 177.300 0.033 0.000 1.146 399 P CA 2.372 65.474 63.100 0.003 0.000 0.813 399 P CB -0.009 31.697 31.700 0.010 0.000 0.778 400 A N -1.684 121.196 122.820 0.099 0.000 2.123 400 A HA 0.466 4.790 4.320 0.007 0.000 0.214 400 A C 1.213 178.897 177.584 0.168 0.000 1.152 400 A CA 1.262 53.392 52.037 0.154 0.000 0.728 400 A CB -0.559 18.641 19.000 0.333 0.000 0.814 400 A HN 0.357 nan 8.150 nan 0.000 0.464 401 G N -2.789 106.080 108.800 0.115 0.000 2.340 401 G HA2 0.179 4.143 3.960 0.007 0.000 0.282 401 G HA3 0.179 4.143 3.960 0.007 0.000 0.282 401 G C -1.381 173.586 174.900 0.112 0.000 1.312 401 G CA -0.675 44.490 45.100 0.108 0.000 0.942 401 G HN 0.332 nan 8.290 nan 0.000 0.495 402 W N 0.318 121.771 121.300 0.255 0.000 2.381 402 W HA 0.743 5.407 4.660 0.007 0.000 0.329 402 W C 0.263 177.041 176.519 0.431 0.000 1.157 402 W CA 0.058 57.567 57.345 0.273 0.000 1.240 402 W CB 1.223 30.828 29.460 0.242 0.000 1.199 402 W HN 0.648 nan 8.180 nan 0.000 0.579 403 F N -0.142 120.040 119.950 0.387 0.000 2.713 403 F HA 0.791 5.322 4.527 0.006 0.000 0.311 403 F C -0.409 175.543 175.800 0.252 0.000 1.141 403 F CA -2.312 55.853 58.000 0.274 0.000 0.939 403 F CB 0.632 39.651 39.000 0.033 0.000 1.325 403 F HN 0.445 nan 8.300 nan 0.000 0.453 404 G N 1.710 110.724 108.800 0.357 0.000 2.370 404 G HA2 0.548 4.512 3.960 0.007 0.000 0.317 404 G HA3 0.548 4.512 3.960 0.007 0.000 0.317 404 G C -1.485 173.483 174.900 0.114 0.000 1.162 404 G CA -0.994 44.212 45.100 0.176 0.000 0.922 404 G HN 0.648 nan 8.290 nan 0.000 0.454 405 K N 1.851 122.225 120.400 -0.043 0.000 2.248 405 K HA 0.280 4.604 4.320 0.007 0.000 0.281 405 K C -0.247 176.374 176.600 0.035 0.000 1.054 405 K CA -0.666 55.583 56.287 -0.063 0.000 0.903 405 K CB 1.997 34.319 32.500 -0.297 0.000 1.077 405 K HN 0.373 nan 8.250 nan 0.000 0.474 406 L N 2.962 124.269 121.223 0.140 0.000 2.416 406 L HA 0.079 4.423 4.340 0.007 0.000 0.272 406 L C 0.062 177.053 176.870 0.202 0.000 1.161 406 L CA 0.024 54.960 54.840 0.159 0.000 0.845 406 L CB 0.491 42.643 42.059 0.155 0.000 1.119 406 L HN 0.507 nan 8.230 nan 0.000 0.464 407 E N 2.681 122.928 120.200 0.078 0.000 2.765 407 E HA -0.133 4.221 4.350 0.007 0.000 0.256 407 E C 0.812 177.360 176.600 -0.087 0.000 0.935 407 E CA 0.872 57.272 56.400 -0.002 0.000 0.954 407 E CB 0.551 30.234 29.700 -0.029 0.000 0.908 407 E HN 0.718 nan 8.360 nan 0.000 0.500 408 Q N 2.183 121.805 119.800 -0.297 0.000 2.112 408 Q HA -0.232 4.112 4.340 0.007 0.000 0.206 408 Q C 1.893 177.852 176.000 -0.069 0.000 0.987 408 Q CA 1.881 57.402 55.803 -0.470 0.000 0.858 408 Q CB -0.176 28.050 28.738 -0.853 0.000 0.905 408 Q HN 0.783 nan 8.270 nan 0.000 0.420 409 S N -0.043 115.609 115.700 -0.079 0.000 2.400 409 S HA -0.130 4.344 4.470 0.007 0.000 0.232 409 S C 2.037 176.600 174.600 -0.062 0.000 1.025 409 S CA 1.399 59.562 58.200 -0.062 0.000 0.993 409 S CB -0.253 62.851 63.200 -0.159 0.000 0.808 409 S HN 0.145 nan 8.310 nan 0.000 0.478 410 S N 1.667 117.329 115.700 -0.064 0.000 2.428 410 S HA 0.195 4.669 4.470 0.007 0.000 0.230 410 S C 1.691 176.329 174.600 0.065 0.000 1.014 410 S CA 1.023 59.208 58.200 -0.026 0.000 0.957 410 S CB -0.428 62.762 63.200 -0.017 0.000 0.784 410 S HN 0.538 nan 8.310 nan 0.000 0.499 411 I N 0.768 121.410 120.570 0.119 0.000 2.333 411 I HA -0.073 4.101 4.170 0.007 0.000 0.246 411 I C 1.855 178.075 176.117 0.171 0.000 1.106 411 I CA 0.939 62.352 61.300 0.187 0.000 1.411 411 I CB -0.194 38.002 38.000 0.327 0.000 1.082 411 I HN 0.203 nan 8.210 nan 0.000 0.420 412 L N 0.161 121.504 121.223 0.200 0.000 2.156 412 L HA -0.090 4.254 4.340 0.007 0.000 0.208 412 L C 2.669 179.686 176.870 0.245 0.000 1.095 412 L CA 0.854 55.816 54.840 0.203 0.000 0.770 412 L CB -0.424 41.790 42.059 0.259 0.000 0.914 412 L HN 0.133 nan 8.230 nan 0.000 0.439 413 R N 0.549 121.182 120.500 0.221 0.000 2.103 413 R HA -0.254 4.090 4.340 0.007 0.000 0.242 413 R C 2.313 178.828 176.300 0.358 0.000 1.142 413 R CA 2.003 58.286 56.100 0.305 0.000 0.960 413 R CB -0.176 30.228 30.300 0.173 0.000 0.858 413 R HN 0.555 nan 8.270 nan 0.000 0.439 414 Q N -0.785 119.152 119.800 0.229 0.000 2.437 414 Q HA -0.112 4.232 4.340 0.007 0.000 0.210 414 Q C 1.230 177.283 176.000 0.088 0.000 0.972 414 Q CA 0.796 56.718 55.803 0.198 0.000 0.903 414 Q CB 0.053 28.877 28.738 0.143 0.000 0.967 414 Q HN 0.265 nan 8.270 nan 0.000 0.486 415 M N -0.487 119.093 119.600 -0.034 0.000 2.619 415 M HA 0.032 4.516 4.480 0.007 0.000 0.251 415 M C 0.268 176.198 176.300 -0.618 0.000 1.106 415 M CA 0.906 55.997 55.300 -0.348 0.000 1.086 415 M CB -0.396 31.889 32.600 -0.524 0.000 1.465 415 M HN 0.286 nan 8.290 nan 0.000 0.506 416 Y N -3.169 117.121 120.300 -0.016 0.000 2.452 416 Y HA 0.183 4.737 4.550 0.006 0.000 0.262 416 Y C 0.056 175.745 175.900 -0.351 0.000 1.089 416 Y CA -0.734 57.234 58.100 -0.221 0.000 1.262 416 Y CB 0.376 38.648 38.460 -0.314 0.000 1.236 416 Y HN 0.043 nan 8.280 nan 0.000 0.512 417 W N -0.220 121.230 121.300 0.250 0.000 2.785 417 W HA 0.593 5.258 4.660 0.008 0.000 0.333 417 W C -0.244 176.433 176.519 0.264 0.000 1.062 417 W CA -0.831 56.684 57.345 0.284 0.000 1.233 417 W CB 1.974 31.608 29.460 0.290 0.000 1.413 417 W HN -0.456 nan 8.180 nan 0.000 0.489 418 T N 2.460 117.363 114.554 0.581 0.000 2.906 418 T HA 0.545 4.899 4.350 0.007 0.000 0.295 418 T C -0.625 174.303 174.700 0.380 0.000 1.061 418 T CA -0.771 61.555 62.100 0.376 0.000 1.000 418 T CB 0.981 69.968 68.868 0.199 0.000 1.103 418 T HN 0.372 nan 8.240 nan 0.000 0.486 419 R N 1.526 122.141 120.500 0.191 0.000 2.349 419 R HA 0.660 5.004 4.340 0.007 0.000 0.299 419 R C 0.313 176.595 176.300 -0.029 0.000 1.027 419 R CA -0.485 55.642 56.100 0.046 0.000 0.958 419 R CB 1.441 31.703 30.300 -0.063 0.000 1.047 419 R HN 0.783 nan 8.270 nan 0.000 0.468 420 G N 2.552 111.337 108.800 -0.024 0.000 2.815 420 G HA2 0.452 4.416 3.960 0.007 0.000 0.305 420 G HA3 0.452 4.416 3.960 0.007 0.000 0.305 420 G C -2.796 172.145 174.900 0.067 0.000 1.277 420 G CA -0.848 44.134 45.100 -0.198 0.000 0.795 420 G HN 0.342 nan 8.290 nan 0.000 0.528 421 P HA 0.139 nan 4.420 nan 0.000 0.271 421 P C -0.570 176.953 177.300 0.372 0.000 1.233 421 P CA -0.490 62.722 63.100 0.187 0.000 0.789 421 P CB 0.516 32.296 31.700 0.134 0.000 0.951 422 N N 1.095 119.935 118.700 0.232 0.000 2.458 422 N HA 0.012 4.756 4.740 0.007 0.000 0.258 422 N C 0.368 176.032 175.510 0.257 0.000 1.219 422 N CA 0.558 53.734 53.050 0.211 0.000 0.902 422 N CB -0.228 38.328 38.487 0.116 0.000 1.076 422 N HN 0.667 nan 8.380 nan 0.000 0.455 423 H N -2.104 116.925 119.070 -0.070 0.000 2.990 423 H HA 0.380 4.939 4.556 0.006 0.000 0.343 423 H C -0.234 174.973 175.328 -0.203 0.000 1.270 423 H CA -0.833 55.098 56.048 -0.195 0.000 1.118 423 H CB 1.327 30.776 29.762 -0.522 0.000 1.861 423 H HN 0.317 nan 8.280 nan 0.000 0.544 424 E N -0.433 119.599 120.200 -0.279 0.000 2.340 424 E HA -0.033 4.321 4.350 0.007 0.000 0.194 424 E C -0.358 176.011 176.600 -0.386 0.000 0.996 424 E CA 0.409 56.644 56.400 -0.274 0.000 0.869 424 E CB 0.536 30.146 29.700 -0.151 0.000 0.835 424 E HN 0.384 nan 8.360 nan 0.000 0.493 425 D N 0.056 120.104 120.400 -0.587 0.000 2.462 425 D HA 0.130 4.774 4.640 0.007 0.000 0.245 425 D C -2.134 173.820 176.300 -0.577 0.000 1.122 425 D CA -2.557 51.189 54.000 -0.423 0.000 0.864 425 D CB 1.626 42.296 40.800 -0.217 0.000 1.098 425 D HN -0.255 nan 8.370 nan 0.000 0.541 426 P HA -0.134 nan 4.420 nan 0.000 0.219 426 P C 1.288 178.735 177.300 0.245 0.000 1.146 426 P CA 0.982 64.093 63.100 0.018 0.000 0.808 426 P CB 0.222 32.042 31.700 0.202 0.000 0.779 427 S N -1.398 114.374 115.700 0.120 0.000 2.481 427 S HA -0.102 4.372 4.470 0.007 0.000 0.231 427 S C 0.956 175.634 174.600 0.129 0.000 0.996 427 S CA 0.014 58.285 58.200 0.118 0.000 0.942 427 S CB -0.989 62.256 63.200 0.076 0.000 0.768 427 S HN 0.183 nan 8.310 nan 0.000 0.520 428 E N 2.678 122.951 120.200 0.121 0.000 2.415 428 E HA 0.093 4.447 4.350 0.007 0.000 0.263 428 E C 0.034 176.880 176.600 0.409 0.000 0.995 428 E CA 0.135 56.659 56.400 0.206 0.000 0.915 428 E CB 0.485 30.271 29.700 0.144 0.000 0.951 428 E HN 0.550 nan 8.360 nan 0.000 0.449 429 T N 2.139 116.923 114.554 0.383 0.000 2.918 429 T HA 0.551 4.905 4.350 0.007 0.000 0.283 429 T C -0.007 174.935 174.700 0.403 0.000 1.001 429 T CA -0.900 61.420 62.100 0.368 0.000 1.041 429 T CB 1.268 70.243 68.868 0.177 0.000 1.028 429 T HN 0.551 nan 8.240 nan 0.000 0.511 430 M N 2.273 122.011 119.600 0.230 0.000 2.378 430 M HA 0.507 4.991 4.480 0.007 0.000 0.289 430 M C -1.790 174.477 176.300 -0.055 0.000 1.136 430 M CA -0.978 54.289 55.300 -0.056 0.000 0.917 430 M CB 1.844 34.205 32.600 -0.399 0.000 1.669 430 M HN 0.682 nan 8.290 nan 0.000 0.461 431 I N 5.777 126.277 120.570 -0.116 0.000 2.396 431 I HA 0.291 4.465 4.170 0.007 0.000 0.289 431 I C -1.986 174.043 176.117 -0.146 0.000 1.056 431 I CA -1.628 59.606 61.300 -0.109 0.000 1.365 431 I CB 0.416 38.345 38.000 -0.118 0.000 1.407 431 I HN 0.490 nan 8.210 nan 0.000 0.509 432 P HA 0.125 nan 4.420 nan 0.000 0.272 432 P C -0.718 176.541 177.300 -0.069 0.000 1.223 432 P CA -0.206 62.874 63.100 -0.034 0.000 0.784 432 P CB 0.322 32.029 31.700 0.010 0.000 0.923 433 H N -0.628 118.405 119.070 -0.061 0.000 2.871 433 H HA 0.155 4.715 4.556 0.007 0.000 0.355 433 H C 0.667 175.962 175.328 -0.056 0.000 1.092 433 H CA 0.547 56.559 56.048 -0.060 0.000 1.420 433 H CB 0.063 29.791 29.762 -0.057 0.000 1.400 433 H HN 0.335 nan 8.280 nan 0.000 0.604 434 S N 3.449 119.171 115.700 0.036 0.000 2.552 434 S HA 0.028 4.502 4.470 0.007 0.000 0.289 434 S C -0.107 174.483 174.600 -0.017 0.000 1.304 434 S CA -0.799 57.394 58.200 -0.011 0.000 1.063 434 S CB 0.621 63.804 63.200 -0.028 0.000 0.848 434 S HN 0.532 nan 8.310 nan 0.000 0.499 435 Q N 2.029 121.794 119.800 -0.058 0.000 2.282 435 Q HA 0.409 4.753 4.340 0.007 0.000 0.260 435 Q C -0.197 175.700 176.000 -0.172 0.000 0.964 435 Q CA -0.426 55.323 55.803 -0.091 0.000 0.880 435 Q CB 1.971 30.658 28.738 -0.085 0.000 1.286 435 Q HN 0.701 nan 8.270 nan 0.000 0.445 436 R N 2.154 122.548 120.500 -0.178 0.000 2.536 436 R HA 0.266 4.610 4.340 0.007 0.000 0.279 436 R C -1.499 174.583 176.300 -0.363 0.000 1.001 436 R CA -1.846 54.101 56.100 -0.255 0.000 1.027 436 R CB 0.549 30.759 30.300 -0.151 0.000 1.096 436 R HN 0.305 nan 8.270 nan 0.000 0.502 437 P HA -0.273 nan 4.420 nan 0.000 0.218 437 P C 1.135 178.325 177.300 -0.184 0.000 1.132 437 P CA 1.815 64.587 63.100 -0.547 0.000 0.968 437 P CB -0.139 31.429 31.700 -0.220 0.000 0.783 438 I N -1.811 118.695 120.570 -0.108 0.000 2.335 438 I HA -0.211 3.963 4.170 0.007 0.000 0.251 438 I C 2.324 178.421 176.117 -0.033 0.000 1.129 438 I CA 1.600 62.870 61.300 -0.049 0.000 1.402 438 I CB -1.818 36.173 38.000 -0.015 0.000 1.069 438 I HN 0.005 nan 8.210 nan 0.000 0.424 439 Q N 0.502 120.266 119.800 -0.060 0.000 2.297 439 Q HA 0.110 4.455 4.340 0.007 0.000 0.204 439 Q C 1.963 177.951 176.000 -0.019 0.000 0.962 439 Q CA 0.905 56.689 55.803 -0.032 0.000 0.879 439 Q CB -0.030 28.679 28.738 -0.050 0.000 0.947 439 Q HN 0.552 nan 8.270 nan 0.000 0.462 440 L N -0.282 120.911 121.223 -0.049 0.000 2.640 440 L HA 0.082 4.426 4.340 0.007 0.000 0.230 440 L C 1.776 178.659 176.870 0.022 0.000 1.123 440 L CA -0.320 54.512 54.840 -0.014 0.000 0.900 440 L CB 0.072 42.105 42.059 -0.043 0.000 1.146 440 L HN 0.267 nan 8.230 nan 0.000 0.484 441 M N -0.603 118.990 119.600 -0.012 0.000 2.108 441 M HA -0.172 4.312 4.480 0.007 0.000 0.261 441 M C 2.385 178.746 176.300 0.101 0.000 1.066 441 M CA 1.518 56.758 55.300 -0.101 0.000 1.107 441 M CB -0.938 31.456 32.600 -0.342 0.000 1.356 441 M HN 0.154 nan 8.290 nan 0.000 0.406 442 S N 1.043 116.868 115.700 0.209 0.000 2.356 442 S HA -0.121 4.353 4.470 0.007 0.000 0.223 442 S C 1.868 176.599 174.600 0.220 0.000 1.032 442 S CA 1.083 59.451 58.200 0.279 0.000 1.005 442 S CB -0.416 62.907 63.200 0.205 0.000 0.867 442 S HN 0.369 nan 8.310 nan 0.000 0.449 443 L N 1.806 123.122 121.223 0.154 0.000 2.017 443 L HA -0.002 4.342 4.340 0.007 0.000 0.208 443 L C 1.977 178.946 176.870 0.165 0.000 1.073 443 L CA 1.626 56.549 54.840 0.139 0.000 0.745 443 L CB -0.592 41.516 42.059 0.083 0.000 0.894 443 L HN 0.278 nan 8.230 nan 0.000 0.432 444 L N -0.772 120.542 121.223 0.153 0.000 2.046 444 L HA -0.125 4.219 4.340 0.007 0.000 0.208 444 L C 2.505 179.603 176.870 0.381 0.000 1.077 444 L CA 1.256 56.225 54.840 0.215 0.000 0.747 444 L CB -1.306 40.860 42.059 0.178 0.000 0.896 444 L HN 0.480 nan 8.230 nan 0.000 0.432 445 G N -0.714 108.286 108.800 0.334 0.000 2.418 445 G HA2 -0.209 3.755 3.960 0.007 0.000 0.217 445 G HA3 -0.209 3.755 3.960 0.007 0.000 0.217 445 G C 1.445 176.517 174.900 0.288 0.000 1.158 445 G CA 0.300 45.617 45.100 0.363 0.000 0.771 445 G HN 0.272 nan 8.290 nan 0.000 0.545 446 E N 1.000 121.368 120.200 0.281 0.000 2.077 446 E HA -0.105 4.249 4.350 0.007 0.000 0.193 446 E C 2.946 179.809 176.600 0.439 0.000 0.989 446 E CA 1.068 57.640 56.400 0.286 0.000 0.800 446 E CB -0.538 29.315 29.700 0.256 0.000 0.746 446 E HN 0.372 nan 8.360 nan 0.000 0.452 447 A N 1.642 124.753 122.820 0.484 0.000 1.902 447 A HA -0.093 4.231 4.320 0.007 0.000 0.217 447 A C 2.447 180.466 177.584 0.725 0.000 1.181 447 A CA 2.006 54.442 52.037 0.664 0.000 0.623 447 A CB -0.568 18.631 19.000 0.332 0.000 0.818 447 A HN 0.269 nan 8.150 nan 0.000 0.443 448 A N -0.127 123.051 122.820 0.597 0.000 1.972 448 A HA -0.051 4.273 4.320 0.007 0.000 0.219 448 A C 2.035 179.880 177.584 0.435 0.000 1.169 448 A CA 1.437 53.715 52.037 0.401 0.000 0.635 448 A CB -0.625 18.475 19.000 0.166 0.000 0.810 448 A HN 0.502 nan 8.150 nan 0.000 0.446 449 L N -1.100 120.327 121.223 0.338 0.000 2.353 449 L HA -0.140 4.204 4.340 0.007 0.000 0.220 449 L C 1.907 178.921 176.870 0.240 0.000 1.133 449 L CA 0.748 55.748 54.840 0.266 0.000 0.798 449 L CB -0.646 41.463 42.059 0.084 0.000 0.922 449 L HN 0.493 nan 8.230 nan 0.000 0.445 450 H N -0.073 119.201 119.070 0.341 0.000 2.539 450 H HA 0.231 4.790 4.556 0.007 0.000 0.267 450 H C 1.185 176.655 175.328 0.237 0.000 0.982 450 H CA 0.753 56.941 56.048 0.233 0.000 1.146 450 H CB 0.499 30.317 29.762 0.092 0.000 1.382 450 H HN 0.369 nan 8.280 nan 0.000 0.577 451 G N 1.208 110.207 108.800 0.333 0.000 2.661 451 G HA2 -0.197 3.767 3.960 0.007 0.000 0.685 451 G HA3 -0.197 3.767 3.960 0.007 0.000 0.685 451 G C -1.818 173.223 174.900 0.236 0.000 1.298 451 G CA -0.349 44.868 45.100 0.196 0.000 0.855 451 G HN -0.017 nan 8.290 nan 0.000 0.560 452 P HA -0.116 nan 4.420 nan 0.000 0.215 452 P C 2.103 179.521 177.300 0.197 0.000 1.153 452 P CA 3.002 66.193 63.100 0.152 0.000 0.853 452 P CB -0.206 31.536 31.700 0.071 0.000 0.788 453 A N -0.438 122.487 122.820 0.176 0.000 1.858 453 A HA -0.198 4.126 4.320 0.007 0.000 0.216 453 A C 2.199 179.902 177.584 0.198 0.000 1.190 453 A CA 1.607 53.740 52.037 0.159 0.000 0.617 453 A CB -1.839 17.247 19.000 0.143 0.000 0.827 453 A HN 0.145 nan 8.150 nan 0.000 0.443 454 F N -1.270 118.753 119.950 0.122 0.000 2.186 454 F HA -0.109 4.422 4.527 0.006 0.000 0.299 454 F C 2.081 177.957 175.800 0.127 0.000 1.090 454 F CA 1.459 59.520 58.000 0.103 0.000 1.307 454 F CB -0.462 38.601 39.000 0.104 0.000 1.019 454 F HN 0.378 nan 8.300 nan 0.000 0.489 455 Y N -0.063 120.297 120.300 0.100 0.000 2.181 455 Y HA -0.234 4.320 4.550 0.007 0.000 0.288 455 Y C 2.857 178.703 175.900 -0.089 0.000 1.146 455 Y CA 1.929 60.033 58.100 0.006 0.000 1.164 455 Y CB -0.932 37.582 38.460 0.090 0.000 0.982 455 Y HN 0.129 nan 8.280 nan 0.000 0.515 456 S N -0.213 115.493 115.700 0.008 0.000 2.368 456 S HA -0.252 4.222 4.470 0.007 0.000 0.225 456 S C 2.202 176.691 174.600 -0.184 0.000 1.030 456 S CA 1.721 59.873 58.200 -0.080 0.000 0.999 456 S CB -0.467 62.740 63.200 0.011 0.000 0.844 456 S HN 0.555 nan 8.310 nan 0.000 0.459 457 K N 0.254 120.532 120.400 -0.203 0.000 2.032 457 K HA -0.090 4.234 4.320 0.007 0.000 0.209 457 K C 1.944 178.338 176.600 -0.342 0.000 1.048 457 K CA 1.703 57.842 56.287 -0.247 0.000 0.927 457 K CB -0.215 32.127 32.500 -0.264 0.000 0.712 457 K HN 0.342 nan 8.250 nan 0.000 0.441 458 I N 1.025 121.285 120.570 -0.517 0.000 2.286 458 I HA -0.175 3.999 4.170 0.007 0.000 0.245 458 I C 2.216 178.109 176.117 -0.373 0.000 1.104 458 I CA 1.128 62.150 61.300 -0.463 0.000 1.397 458 I CB -1.169 36.516 38.000 -0.525 0.000 1.072 458 I HN 0.137 nan 8.210 nan 0.000 0.417 459 S N 0.746 116.161 115.700 -0.475 0.000 2.374 459 S HA -0.246 4.228 4.470 0.007 0.000 0.227 459 S C 2.029 176.486 174.600 -0.239 0.000 1.037 459 S CA 1.494 59.450 58.200 -0.406 0.000 1.024 459 S CB -0.265 62.643 63.200 -0.488 0.000 0.861 459 S HN 0.376 nan 8.310 nan 0.000 0.456 460 K N 0.751 121.026 120.400 -0.207 0.000 2.057 460 K HA -0.015 4.309 4.320 0.007 0.000 0.207 460 K C 1.984 178.508 176.600 -0.127 0.000 1.049 460 K CA 1.039 57.242 56.287 -0.139 0.000 0.931 460 K CB -0.222 32.209 32.500 -0.115 0.000 0.714 460 K HN 0.280 nan 8.250 nan 0.000 0.440 461 L N 0.036 121.167 121.223 -0.154 0.000 2.093 461 L HA -0.163 4.181 4.340 0.007 0.000 0.208 461 L C 2.257 179.047 176.870 -0.133 0.000 1.085 461 L CA 0.635 55.383 54.840 -0.152 0.000 0.755 461 L CB -0.274 41.672 42.059 -0.189 0.000 0.904 461 L HN 0.014 nan 8.230 nan 0.000 0.435 462 V N 0.243 120.079 119.914 -0.129 0.000 2.295 462 V HA -0.295 3.829 4.120 0.007 0.000 0.246 462 V C 2.307 178.382 176.094 -0.032 0.000 1.049 462 V CA 1.928 64.181 62.300 -0.078 0.000 1.024 462 V CB -0.298 31.485 31.823 -0.066 0.000 0.648 462 V HN 0.303 nan 8.190 nan 0.000 0.447 463 I N 0.441 120.988 120.570 -0.038 0.000 2.226 463 I HA -0.239 3.935 4.170 0.007 0.000 0.245 463 I C 2.650 178.755 176.117 -0.019 0.000 1.100 463 I CA 1.441 62.736 61.300 -0.007 0.000 1.374 463 I CB -0.611 37.363 38.000 -0.043 0.000 1.057 463 I HN 0.279 nan 8.210 nan 0.000 0.413 464 A N 0.075 122.866 122.820 -0.048 0.000 1.908 464 A HA -0.173 4.151 4.320 0.007 0.000 0.218 464 A C 1.306 178.862 177.584 -0.046 0.000 1.181 464 A CA 1.065 53.073 52.037 -0.049 0.000 0.627 464 A CB -0.612 18.348 19.000 -0.066 0.000 0.818 464 A HN 0.413 nan 8.150 nan 0.000 0.445 465 E N -0.129 120.037 120.200 -0.056 0.000 2.168 465 E HA 0.356 4.710 4.350 0.007 0.000 0.254 465 E C -0.766 175.812 176.600 -0.036 0.000 1.228 465 E CA 0.062 56.429 56.400 -0.054 0.000 0.956 465 E CB 0.003 29.664 29.700 -0.066 0.000 1.031 465 E HN 0.477 nan 8.360 nan 0.000 0.441 473 F N 2.630 122.595 119.950 0.026 0.000 2.622 473 F HA 0.476 5.007 4.527 0.007 0.000 0.318 473 F C -2.239 173.602 175.800 0.069 0.000 1.135 473 F CA -0.967 57.056 58.000 0.039 0.000 1.015 473 F CB 1.005 40.008 39.000 0.004 0.000 1.275 473 F HN 0.322 nan 8.300 nan 0.000 0.457 474 Y N 6.438 126.344 120.300 -0.657 0.000 2.436 474 Y HA 0.581 5.135 4.550 0.007 0.000 0.343 474 Y C -0.995 174.256 175.900 -1.081 0.000 1.008 474 Y CA -0.474 57.236 58.100 -0.651 0.000 1.241 474 Y CB 0.812 39.096 38.460 -0.292 0.000 1.153 474 Y HN 0.477 nan 8.280 nan 0.000 0.521 475 V N 9.885 129.031 119.914 -1.279 0.000 2.406 475 V HA 0.274 4.398 4.120 0.007 0.000 0.272 475 V C -1.883 173.650 176.094 -0.935 0.000 1.043 475 V CA -1.861 59.878 62.300 -0.936 0.000 0.915 475 V CB 0.746 32.249 31.823 -0.533 0.000 0.988 475 V HN 0.754 nan 8.190 nan 0.000 0.466 476 P HA 0.185 nan 4.420 nan 0.000 0.269 476 P C 0.105 177.337 177.300 -0.114 0.000 1.217 476 P CA -0.246 62.675 63.100 -0.297 0.000 0.783 476 P CB 0.536 32.185 31.700 -0.086 0.000 0.898 477 R N 1.330 121.789 120.500 -0.068 0.000 2.774 477 R HA 0.012 4.356 4.340 0.007 0.000 0.269 477 R C 1.606 177.758 176.300 -0.247 0.000 1.068 477 R CA -0.334 55.741 56.100 -0.043 0.000 1.180 477 R CB 0.127 30.419 30.300 -0.012 0.000 1.077 477 R HN 0.556 nan 8.270 nan 0.000 0.513 478 Q N 1.713 121.262 119.800 -0.418 0.000 2.096 478 Q HA -0.232 4.112 4.340 0.007 0.000 0.204 478 Q C 1.104 176.905 176.000 -0.331 0.000 0.982 478 Q CA 2.136 57.467 55.803 -0.786 0.000 0.850 478 Q CB 0.164 28.641 28.738 -0.436 0.000 0.901 478 Q HN 0.563 nan 8.270 nan 0.000 0.422 479 E N 0.089 120.196 120.200 -0.155 0.000 2.031 479 E HA -0.129 4.225 4.350 0.007 0.000 0.193 479 E C -0.773 175.860 176.600 0.056 0.000 0.994 479 E CA 1.682 58.054 56.400 -0.046 0.000 0.800 479 E CB -1.001 28.673 29.700 -0.043 0.000 0.752 479 E HN 0.421 nan 8.360 nan 0.000 0.447 480 P HA -0.157 nan 4.420 nan 0.000 0.216 480 P C 1.265 178.641 177.300 0.128 0.000 1.150 480 P CA 1.125 64.281 63.100 0.093 0.000 0.837 480 P CB 0.083 31.821 31.700 0.064 0.000 0.786 481 M N -1.866 117.754 119.600 0.034 0.000 2.099 481 M HA -0.072 4.412 4.480 0.007 0.000 0.262 481 M C 1.894 178.298 176.300 0.174 0.000 1.067 481 M CA 1.634 56.978 55.300 0.074 0.000 1.124 481 M CB -1.340 31.201 32.600 -0.099 0.000 1.353 481 M HN -0.187 nan 8.290 nan 0.000 0.410 482 F N 0.513 120.429 119.950 -0.057 0.000 2.091 482 F HA -0.272 4.259 4.527 0.007 0.000 0.299 482 F C 2.199 177.944 175.800 -0.092 0.000 1.103 482 F CA 1.959 59.910 58.000 -0.081 0.000 1.228 482 F CB -0.278 38.654 39.000 -0.114 0.000 0.984 482 F HN 0.069 nan 8.300 nan 0.000 0.477 483 R N -1.301 119.351 120.500 0.253 0.000 2.115 483 R HA -0.209 4.135 4.340 0.007 0.000 0.230 483 R C 2.079 178.464 176.300 0.142 0.000 1.111 483 R CA 1.603 57.858 56.100 0.258 0.000 0.976 483 R CB -0.998 29.543 30.300 0.402 0.000 0.870 483 R HN 0.548 nan 8.270 nan 0.000 0.445 484 W N 1.235 122.531 121.300 -0.007 0.000 2.381 484 W HA -0.191 4.473 4.660 0.006 0.000 0.301 484 W C 2.070 178.520 176.519 -0.116 0.000 1.205 484 W CA 1.145 58.479 57.345 -0.017 0.000 1.285 484 W CB -0.176 29.292 29.460 0.013 0.000 1.133 484 W HN -0.064 nan 8.180 nan 0.000 0.521 485 M N 0.833 120.369 119.600 -0.106 0.000 2.213 485 M HA -0.101 4.383 4.480 0.007 0.000 0.263 485 M C 1.833 177.779 176.300 -0.590 0.000 1.062 485 M CA 1.845 56.929 55.300 -0.360 0.000 1.105 485 M CB -0.491 32.012 32.600 -0.162 0.000 1.385 485 M HN -0.023 nan 8.290 nan 0.000 0.417 486 R N -2.253 117.768 120.500 -0.799 0.000 2.254 486 R HA 0.130 4.474 4.340 0.007 0.000 0.193 486 R C 0.126 175.834 176.300 -0.987 0.000 0.929 486 R CA 0.367 55.827 56.100 -1.067 0.000 1.038 486 R CB 0.444 29.758 30.300 -1.644 0.000 1.009 486 R HN 0.318 nan 8.270 nan 0.000 0.512 487 F N 0.163 119.967 119.950 -0.244 0.000 2.791 487 F HA 0.371 4.903 4.527 0.007 0.000 0.316 487 F C 0.236 175.922 175.800 -0.191 0.000 1.134 487 F CA -0.607 57.293 58.000 -0.167 0.000 1.222 487 F CB 0.167 39.110 39.000 -0.096 0.000 1.034 487 F HN -0.249 nan 8.300 nan 0.000 0.516 488 S N 0.000 115.549 115.700 -0.252 0.000 2.498 488 S HA 0.000 4.474 4.470 0.007 0.000 0.327 488 S CA 0.000 57.982 58.200 -0.363 0.000 1.107 488 S CB 0.000 63.086 63.200 -0.189 0.000 0.593 488 S HN 0.000 nan 8.310 nan 0.000 0.517