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 3l2g_1_O DATA FIRST_RESID 24 DATA SEQUENCE KFKAADNFPD LSKHNNVMAS QLTKELYEKY WDKVTPNGVT FDKCIQTGVD DATA SEQUENCE NPGNKFYGKK TGCVFGDEYS YECYKEFFDK CIEEIHHFKP SDKHPAPDLD DATA SEQUENCE HNKLVGGVFE DKYVKSCRIR CGRSVKGVCL PPAMSRAERR LVEKVVSDAL DATA SEQUENCE GGLKGDLAGK YYPLTTMNEK DQEQLIEDHF LFEKPTGALL TTSGCARDWP DATA SEQUENCE DGRGIWHNNE KNFLVWINEE DHIRVISMQK GGDLKAVFSR FARGLLEVER DATA SEQUENCE LMKECGHGLM HNDRLGYICT CPTNMGTVVR ASVHLRLAFL EKHPRFDEML DATA SEQUENCE GKLRLGKRGT GGESSLATDS TYDISNWARL GKSERELVQV LVDGVNLLIA DATA SEQUENCE CDKKLEAGQS IDDMIPK 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 24 K HA 0.000 nan 4.320 nan 0.000 0.191 24 K C 0.000 176.381 176.600 -0.364 0.000 0.988 24 K CA 0.000 56.122 56.287 -0.275 0.000 0.838 24 K CB 0.000 32.221 32.500 -0.466 0.000 1.064 25 F N 3.238 123.271 119.950 0.138 0.000 2.536 25 F HA 0.497 5.024 4.527 -0.000 0.000 0.322 25 F C -0.133 175.783 175.800 0.194 0.000 1.144 25 F CA -0.934 57.159 58.000 0.156 0.000 0.924 25 F CB 1.955 41.077 39.000 0.204 0.000 1.181 25 F HN -0.166 nan 8.300 nan 0.000 0.438 26 K N 1.196 121.751 120.400 0.258 0.000 2.120 26 K HA 0.532 4.852 4.320 -0.000 0.000 0.245 26 K C 1.040 177.451 176.600 -0.316 0.000 1.024 26 K CA 0.063 56.378 56.287 0.046 0.000 0.906 26 K CB 0.676 33.172 32.500 -0.007 0.000 1.051 26 K HN 0.681 nan 8.250 nan 0.000 0.491 27 A N 1.188 123.554 122.820 -0.756 0.000 1.908 27 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 27 A C 2.220 179.575 177.584 -0.381 0.000 1.181 27 A CA 2.185 53.477 52.037 -1.241 0.000 0.627 27 A CB -1.017 17.279 19.000 -1.174 0.000 0.818 27 A HN 0.795 nan 8.150 nan 0.000 0.445 28 A N 0.074 122.752 122.820 -0.236 0.000 1.978 28 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 28 A C 1.658 179.200 177.584 -0.070 0.000 1.170 28 A CA 1.752 53.711 52.037 -0.130 0.000 0.636 28 A CB -0.529 18.392 19.000 -0.132 0.000 0.810 28 A HN 0.553 nan 8.150 nan 0.000 0.448 29 D N -0.846 119.513 120.400 -0.068 0.000 2.269 29 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 29 D C 1.199 177.437 176.300 -0.103 0.000 0.963 29 D CA 1.170 55.143 54.000 -0.045 0.000 0.864 29 D CB -0.144 40.683 40.800 0.046 0.000 0.936 29 D HN 0.471 nan 8.370 nan 0.000 0.505 30 N N -0.661 117.988 118.700 -0.085 0.000 2.220 30 N HA -0.005 4.735 4.740 -0.000 0.000 0.195 30 N C -0.282 175.145 175.510 -0.138 0.000 1.123 30 N CA -0.366 52.660 53.050 -0.040 0.000 0.874 30 N CB 0.140 38.724 38.487 0.163 0.000 0.995 30 N HN -0.073 nan 8.380 nan 0.000 0.498 31 F N 3.900 123.623 119.950 -0.379 0.000 2.593 31 F HA 0.129 4.656 4.527 -0.000 0.000 0.393 31 F C -1.656 173.849 175.800 -0.490 0.000 1.037 31 F CA -1.786 55.790 58.000 -0.707 0.000 1.195 31 F CB 0.190 38.920 39.000 -0.451 0.000 1.034 31 F HN 0.100 nan 8.300 nan 0.000 0.552 32 P HA -0.020 nan 4.420 nan 0.000 0.270 32 P C -1.099 175.827 177.300 -0.624 0.000 1.223 32 P CA -0.132 62.535 63.100 -0.723 0.000 0.785 32 P CB 0.632 31.895 31.700 -0.727 0.000 0.923 33 D N 1.688 121.857 120.400 -0.385 0.000 2.456 33 D HA 0.182 4.822 4.640 -0.000 0.000 0.219 33 D C 0.178 176.249 176.300 -0.382 0.000 1.126 33 D CA -0.228 53.614 54.000 -0.263 0.000 0.890 33 D CB -0.411 40.306 40.800 -0.139 0.000 1.025 33 D HN 0.203 nan 8.370 nan 0.000 0.511 34 L N 2.557 123.545 121.223 -0.391 0.000 2.978 34 L HA 0.179 4.519 4.340 -0.000 0.000 0.239 34 L C 1.611 178.403 176.870 -0.131 0.000 1.293 34 L CA -0.245 54.308 54.840 -0.478 0.000 1.085 34 L CB 0.027 41.851 42.059 -0.391 0.000 1.432 34 L HN 0.161 nan 8.230 nan 0.000 0.512 35 S N -0.051 115.615 115.700 -0.057 0.000 2.402 35 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 35 S C 1.910 176.554 174.600 0.073 0.000 1.021 35 S CA 1.103 59.314 58.200 0.018 0.000 0.974 35 S CB 0.092 63.299 63.200 0.012 0.000 0.800 35 S HN 0.480 nan 8.310 nan 0.000 0.484 36 K N 0.106 120.601 120.400 0.158 0.000 2.211 36 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 36 K C -0.148 176.559 176.600 0.177 0.000 1.052 36 K CA 0.310 56.693 56.287 0.160 0.000 0.973 36 K CB -0.037 32.547 32.500 0.141 0.000 0.766 36 K HN 0.377 nan 8.250 nan 0.000 0.466 37 H N 1.060 120.121 119.070 -0.016 0.000 2.815 37 H HA 0.054 4.610 4.556 -0.000 0.000 0.350 37 H C -0.224 175.108 175.328 0.006 0.000 1.080 37 H CA 0.255 56.296 56.048 -0.011 0.000 1.433 37 H CB 0.243 29.990 29.762 -0.024 0.000 1.432 37 H HN 0.137 nan 8.280 nan 0.000 0.592 38 N N 2.235 120.988 118.700 0.090 0.000 2.725 38 N HA 0.086 4.826 4.740 -0.000 0.000 0.248 38 N C -1.418 174.131 175.510 0.065 0.000 1.402 38 N CA -0.574 52.516 53.050 0.066 0.000 0.766 38 N CB 0.200 38.707 38.487 0.033 0.000 1.223 38 N HN 0.776 nan 8.380 nan 0.000 0.515 39 N N -1.175 117.581 118.700 0.093 0.000 2.972 39 N HA 0.277 5.017 4.740 -0.000 0.000 0.262 39 N C 0.429 176.007 175.510 0.114 0.000 1.478 39 N CA -0.868 52.241 53.050 0.098 0.000 0.841 39 N CB 0.851 39.393 38.487 0.091 0.000 1.512 39 N HN -0.177 nan 8.380 nan 0.000 0.548 40 V N -0.478 119.507 119.914 0.119 0.000 2.307 40 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 40 V C 2.412 178.588 176.094 0.138 0.000 1.045 40 V CA 1.679 64.049 62.300 0.117 0.000 1.024 40 V CB -0.780 31.107 31.823 0.106 0.000 0.651 40 V HN 0.744 nan 8.190 nan 0.000 0.449 41 M N 0.793 120.502 119.600 0.181 0.000 2.088 41 M HA -0.265 4.215 4.480 -0.000 0.000 0.256 41 M C 2.163 178.607 176.300 0.240 0.000 1.071 41 M CA 2.846 58.330 55.300 0.307 0.000 1.097 41 M CB -0.789 31.952 32.600 0.235 0.000 1.315 41 M HN 0.381 nan 8.290 nan 0.000 0.406 42 A N -1.294 121.619 122.820 0.155 0.000 1.969 42 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 42 A C 2.187 179.845 177.584 0.123 0.000 1.169 42 A CA 1.931 54.037 52.037 0.115 0.000 0.635 42 A CB -0.723 18.361 19.000 0.140 0.000 0.810 42 A HN 0.615 nan 8.150 nan 0.000 0.445 43 S N -0.602 115.175 115.700 0.128 0.000 2.522 43 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 43 S C 1.441 176.120 174.600 0.132 0.000 0.986 43 S CA 0.755 59.023 58.200 0.114 0.000 0.929 43 S CB 0.023 63.282 63.200 0.098 0.000 0.769 43 S HN 0.615 nan 8.310 nan 0.000 0.529 44 Q N -0.087 119.820 119.800 0.177 0.000 2.164 44 Q HA 0.330 4.670 4.340 -0.000 0.000 0.226 44 Q C -0.374 175.839 176.000 0.355 0.000 0.813 44 Q CA -0.172 55.753 55.803 0.205 0.000 0.978 44 Q CB 0.194 28.989 28.738 0.094 0.000 1.149 44 Q HN 0.327 nan 8.270 nan 0.000 0.489 45 L N 2.484 123.921 121.223 0.357 0.000 2.371 45 L HA 0.360 4.699 4.340 -0.000 0.000 0.272 45 L C -0.088 176.965 176.870 0.306 0.000 1.124 45 L CA 0.482 55.536 54.840 0.356 0.000 0.816 45 L CB 1.159 43.335 42.059 0.194 0.000 1.129 45 L HN 0.107 nan 8.230 nan 0.000 0.448 46 T N 0.152 114.902 114.554 0.327 0.000 2.903 46 T HA 0.400 4.750 4.350 -0.000 0.000 0.299 46 T C 0.692 175.529 174.700 0.228 0.000 1.093 46 T CA -0.924 61.316 62.100 0.233 0.000 1.002 46 T CB 1.396 70.350 68.868 0.143 0.000 1.127 46 T HN 0.559 nan 8.240 nan 0.000 0.488 47 K N 0.294 120.654 120.400 -0.067 0.000 2.209 47 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 47 K C 2.090 178.637 176.600 -0.087 0.000 1.048 47 K CA 1.397 57.491 56.287 -0.323 0.000 0.940 47 K CB 0.034 32.178 32.500 -0.594 0.000 0.729 47 K HN 0.802 nan 8.250 nan 0.000 0.451 48 E N 1.491 121.663 120.200 -0.047 0.000 2.028 48 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 48 E C 2.049 178.613 176.600 -0.059 0.000 0.988 48 E CA 0.804 57.171 56.400 -0.055 0.000 0.799 48 E CB -0.055 29.617 29.700 -0.046 0.000 0.755 48 E HN 0.202 nan 8.360 nan 0.000 0.447 49 L N 0.181 121.407 121.223 0.005 0.000 2.021 49 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 49 L C 2.762 179.571 176.870 -0.102 0.000 1.074 49 L CA 1.925 56.745 54.840 -0.033 0.000 0.760 49 L CB -0.763 41.411 42.059 0.192 0.000 0.889 49 L HN 0.304 nan 8.230 nan 0.000 0.433 50 Y N 0.558 120.852 120.300 -0.010 0.000 2.181 50 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 50 Y C 2.743 178.624 175.900 -0.031 0.000 1.146 50 Y CA 1.849 59.975 58.100 0.044 0.000 1.164 50 Y CB -0.095 38.553 38.460 0.313 0.000 0.982 50 Y HN 0.165 nan 8.280 nan 0.000 0.515 51 E N 0.521 120.683 120.200 -0.064 0.000 2.107 51 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 51 E C 2.170 178.715 176.600 -0.093 0.000 0.982 51 E CA 1.149 57.444 56.400 -0.175 0.000 0.809 51 E CB -0.128 29.488 29.700 -0.140 0.000 0.756 51 E HN 0.490 nan 8.360 nan 0.000 0.459 52 K N -0.694 119.573 120.400 -0.222 0.000 2.032 52 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 52 K C 1.813 178.219 176.600 -0.323 0.000 1.048 52 K CA 1.706 57.774 56.287 -0.366 0.000 0.927 52 K CB -0.126 31.957 32.500 -0.695 0.000 0.712 52 K HN 0.187 nan 8.250 nan 0.000 0.441 53 Y N -1.119 119.065 120.300 -0.194 0.000 2.524 53 Y HA -0.042 4.508 4.550 -0.000 0.000 0.270 53 Y C 1.902 177.732 175.900 -0.118 0.000 1.094 53 Y CA -0.217 57.754 58.100 -0.215 0.000 1.276 53 Y CB 0.009 38.105 38.460 -0.606 0.000 1.130 53 Y HN 0.306 nan 8.280 nan 0.000 0.536 54 W N 2.673 123.758 121.300 -0.358 0.000 2.321 54 W HA -0.230 4.430 4.660 -0.000 0.000 0.285 54 W C 0.212 176.668 176.519 -0.104 0.000 1.213 54 W CA 1.881 59.004 57.345 -0.371 0.000 1.205 54 W CB -0.751 28.217 29.460 -0.820 0.000 1.134 54 W HN 0.351 nan 8.180 nan 0.000 0.549 55 D N -0.223 119.803 120.400 -0.622 0.000 2.424 55 D HA 0.135 4.775 4.640 -0.000 0.000 0.220 55 D C 0.024 176.200 176.300 -0.207 0.000 1.150 55 D CA -0.168 53.435 54.000 -0.662 0.000 0.831 55 D CB -0.398 39.922 40.800 -0.799 0.000 0.981 55 D HN 0.077 nan 8.370 nan 0.000 0.500 56 K N 0.459 120.856 120.400 -0.006 0.000 2.123 56 K HA 0.543 4.863 4.320 -0.000 0.000 0.259 56 K C -1.285 175.412 176.600 0.162 0.000 0.960 56 K CA -0.718 55.621 56.287 0.088 0.000 0.872 56 K CB 1.695 34.294 32.500 0.165 0.000 1.079 56 K HN -0.146 nan 8.250 nan 0.000 0.440 57 V N 2.115 122.074 119.914 0.075 0.000 2.841 57 V HA 0.239 4.359 4.120 -0.000 0.000 0.310 57 V C -0.113 175.999 176.094 0.030 0.000 1.090 57 V CA -1.032 61.325 62.300 0.094 0.000 0.930 57 V CB 1.837 33.681 31.823 0.035 0.000 1.014 57 V HN 1.022 nan 8.190 nan 0.000 0.425 58 T N 1.365 115.964 114.554 0.075 0.000 2.904 58 T HA 0.333 4.683 4.350 -0.000 0.000 0.290 58 T C -1.736 172.924 174.700 -0.066 0.000 1.018 58 T CA -1.615 60.486 62.100 0.003 0.000 1.075 58 T CB 1.477 70.435 68.868 0.150 0.000 0.986 58 T HN 0.455 nan 8.240 nan 0.000 0.523 59 P HA -0.061 nan 4.420 nan 0.000 0.220 59 P C 0.969 178.222 177.300 -0.080 0.000 1.144 59 P CA 0.879 63.835 63.100 -0.240 0.000 0.800 59 P CB 0.019 31.397 31.700 -0.536 0.000 0.772 60 N N -1.950 116.757 118.700 0.012 0.000 2.336 60 N HA 0.081 4.821 4.740 -0.000 0.000 0.189 60 N C 1.271 176.824 175.510 0.071 0.000 1.113 60 N CA 1.071 54.169 53.050 0.081 0.000 0.858 60 N CB 0.333 38.917 38.487 0.162 0.000 0.970 60 N HN 0.151 nan 8.380 nan 0.000 0.471 61 G N 0.367 109.202 108.800 0.058 0.000 2.159 61 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.227 61 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.227 61 G C -0.083 174.869 174.900 0.086 0.000 0.986 61 G CA -0.129 45.005 45.100 0.057 0.000 0.651 61 G HN 0.142 nan 8.290 nan 0.000 0.523 62 V N 2.442 122.434 119.914 0.131 0.000 2.508 62 V HA 0.574 4.694 4.120 -0.000 0.000 0.281 62 V C 1.156 177.381 176.094 0.219 0.000 1.041 62 V CA 0.451 62.853 62.300 0.170 0.000 1.016 62 V CB 0.907 32.866 31.823 0.226 0.000 0.984 62 V HN 0.742 nan 8.190 nan 0.000 0.478 63 T N 1.348 115.991 114.554 0.148 0.000 2.944 63 T HA 0.424 4.774 4.350 -0.000 0.000 0.284 63 T C 0.691 175.383 174.700 -0.013 0.000 1.010 63 T CA -0.443 61.734 62.100 0.129 0.000 1.025 63 T CB 1.151 70.049 68.868 0.050 0.000 1.079 63 T HN 0.320 nan 8.240 nan 0.000 0.516 64 F N 1.033 120.784 119.950 -0.331 0.000 2.134 64 F HA -0.029 4.498 4.527 -0.000 0.000 0.299 64 F C 1.901 177.498 175.800 -0.338 0.000 1.097 64 F CA 1.618 59.192 58.000 -0.710 0.000 1.264 64 F CB -0.422 38.197 39.000 -0.635 0.000 1.001 64 F HN 0.619 nan 8.300 nan 0.000 0.479 65 D N 0.156 120.491 120.400 -0.109 0.000 2.178 65 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 65 D C 2.280 178.486 176.300 -0.156 0.000 0.980 65 D CA 0.728 54.674 54.000 -0.090 0.000 0.842 65 D CB -0.207 40.641 40.800 0.081 0.000 0.948 65 D HN 0.180 nan 8.370 nan 0.000 0.472 66 K N 0.713 121.042 120.400 -0.118 0.000 2.002 66 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 66 K C 2.245 178.771 176.600 -0.123 0.000 1.048 66 K CA 0.635 56.876 56.287 -0.078 0.000 0.930 66 K CB -0.738 31.756 32.500 -0.011 0.000 0.714 66 K HN 0.182 nan 8.250 nan 0.000 0.438 67 C N 0.879 120.061 119.300 -0.196 0.000 2.413 67 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 67 C C 2.482 177.323 174.990 -0.249 0.000 1.265 67 C CA 0.938 59.849 59.018 -0.178 0.000 1.752 67 C CB -0.923 26.703 27.740 -0.190 0.000 1.998 67 C HN 0.615 nan 8.230 nan 0.000 0.489 68 I N -0.623 119.680 120.570 -0.446 0.000 3.883 68 I HA 0.104 4.274 4.170 -0.000 0.000 0.326 68 I C 2.108 178.091 176.117 -0.223 0.000 1.283 68 I CA 0.599 61.655 61.300 -0.407 0.000 1.161 68 I CB -0.553 37.026 38.000 -0.702 0.000 1.012 68 I HN 0.123 nan 8.210 nan 0.000 0.421 69 Q N 1.504 121.207 119.800 -0.161 0.000 2.167 69 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 69 Q C 2.204 178.171 176.000 -0.055 0.000 0.970 69 Q CA 2.466 58.213 55.803 -0.094 0.000 0.855 69 Q CB -0.495 28.204 28.738 -0.065 0.000 0.911 69 Q HN 0.515 nan 8.270 nan 0.000 0.438 70 T N -1.511 113.015 114.554 -0.047 0.000 2.746 70 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 70 T C 1.480 176.176 174.700 -0.007 0.000 1.039 70 T CA 1.491 63.578 62.100 -0.022 0.000 1.142 70 T CB -0.541 68.320 68.868 -0.013 0.000 0.866 70 T HN 0.531 nan 8.240 nan 0.000 0.444 71 G N 0.071 108.872 108.800 0.001 0.000 2.511 71 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 71 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 71 G C 1.614 176.586 174.900 0.120 0.000 1.133 71 G CA 0.763 45.890 45.100 0.045 0.000 0.792 71 G HN 0.497 nan 8.290 nan 0.000 0.539 72 V N 1.172 121.123 119.914 0.061 0.000 2.453 72 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 72 V C 2.323 178.524 176.094 0.178 0.000 1.048 72 V CA 1.896 64.270 62.300 0.124 0.000 1.049 72 V CB -0.301 31.490 31.823 -0.054 0.000 0.672 72 V HN 0.192 nan 8.190 nan 0.000 0.457 73 D N 0.187 120.612 120.400 0.041 0.000 2.269 73 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 73 D C 0.720 176.987 176.300 -0.055 0.000 0.963 73 D CA 0.727 54.726 54.000 -0.001 0.000 0.864 73 D CB -0.138 40.653 40.800 -0.015 0.000 0.936 73 D HN 0.505 nan 8.370 nan 0.000 0.505 74 N N 1.006 119.656 118.700 -0.084 0.000 2.518 74 N HA 0.135 4.875 4.740 -0.000 0.000 0.254 74 N C -2.053 173.267 175.510 -0.316 0.000 0.979 74 N CA -1.120 51.843 53.050 -0.145 0.000 0.930 74 N CB 2.692 41.137 38.487 -0.069 0.000 1.152 74 N HN 0.002 nan 8.380 nan 0.000 0.505 75 P HA 0.034 nan 4.420 nan 0.000 0.219 75 P C 0.634 177.782 177.300 -0.254 0.000 1.154 75 P CA 0.830 63.553 63.100 -0.628 0.000 0.826 75 P CB 0.881 32.281 31.700 -0.501 0.000 0.795 76 G N -0.652 108.051 108.800 -0.163 0.000 3.086 76 G HA2 0.469 4.429 3.960 -0.000 0.000 0.282 76 G HA3 0.469 4.429 3.960 -0.000 0.000 0.282 76 G C -1.716 173.145 174.900 -0.065 0.000 1.343 76 G CA -0.333 44.713 45.100 -0.089 0.000 0.895 76 G HN 0.126 nan 8.290 nan 0.000 0.557 77 N N -1.108 117.562 118.700 -0.051 0.000 2.310 77 N HA 0.301 5.041 4.740 -0.000 0.000 0.292 77 N C 0.513 175.935 175.510 -0.146 0.000 1.049 77 N CA -0.649 52.375 53.050 -0.044 0.000 0.849 77 N CB 2.393 40.908 38.487 0.045 0.000 1.532 77 N HN 0.368 nan 8.380 nan 0.000 0.479 78 K N 1.469 121.665 120.400 -0.340 0.000 2.217 78 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 78 K C 0.077 176.267 176.600 -0.683 0.000 1.051 78 K CA 1.138 57.059 56.287 -0.609 0.000 0.952 78 K CB 0.037 31.930 32.500 -1.011 0.000 0.736 78 K HN 0.406 nan 8.250 nan 0.000 0.453 79 F N -0.764 119.104 119.950 -0.138 0.000 2.484 79 F HA 0.245 4.772 4.527 -0.000 0.000 0.260 79 F C 0.705 176.377 175.800 -0.213 0.000 0.995 79 F CA -1.064 56.758 58.000 -0.296 0.000 1.075 79 F CB -0.428 38.408 39.000 -0.273 0.000 2.044 79 F HN -0.227 nan 8.300 nan 0.000 0.607 80 Y N -0.154 120.312 120.300 0.277 0.000 2.310 80 Y HA 0.517 5.067 4.550 -0.000 0.000 0.326 80 Y C 0.660 176.645 175.900 0.141 0.000 1.151 80 Y CA -0.381 57.813 58.100 0.157 0.000 1.195 80 Y CB 0.746 39.291 38.460 0.142 0.000 1.210 80 Y HN 0.716 nan 8.280 nan 0.000 0.483 81 G N 2.028 110.981 108.800 0.255 0.000 2.663 81 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 81 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 81 G C -1.564 173.425 174.900 0.149 0.000 1.288 81 G CA -1.063 44.146 45.100 0.182 0.000 0.836 81 G HN 0.689 nan 8.290 nan 0.000 0.584 82 K N 0.319 120.805 120.400 0.144 0.000 2.130 82 K HA 0.572 4.892 4.320 -0.000 0.000 0.268 82 K C -0.028 176.700 176.600 0.213 0.000 0.983 82 K CA -0.869 55.502 56.287 0.141 0.000 0.893 82 K CB 0.565 33.124 32.500 0.099 0.000 1.066 82 K HN 0.353 nan 8.250 nan 0.000 0.450 83 K N 1.525 122.015 120.400 0.150 0.000 2.123 83 K HA 0.209 4.529 4.320 -0.000 0.000 0.248 83 K C 0.871 177.541 176.600 0.117 0.000 0.969 83 K CA -0.501 55.865 56.287 0.131 0.000 0.882 83 K CB 1.603 34.157 32.500 0.090 0.000 1.080 83 K HN 0.669 nan 8.250 nan 0.000 0.441 84 T N -0.152 114.454 114.554 0.087 0.000 2.701 84 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 84 T C 1.050 175.803 174.700 0.089 0.000 1.040 84 T CA 1.445 63.592 62.100 0.078 0.000 1.147 84 T CB -0.317 68.575 68.868 0.041 0.000 0.865 84 T HN 0.863 nan 8.240 nan 0.000 0.426 85 G N 1.209 110.051 108.800 0.070 0.000 2.147 85 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 85 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 85 G C 0.252 175.190 174.900 0.064 0.000 1.005 85 G CA 0.062 45.201 45.100 0.065 0.000 0.713 85 G HN 1.273 nan 8.290 nan 0.000 0.515 86 C N -2.153 117.190 119.300 0.071 0.000 3.283 86 C HA 0.866 5.326 4.460 -0.000 0.000 0.359 86 C C -0.071 174.951 174.990 0.054 0.000 1.160 86 C CA -0.542 58.520 59.018 0.073 0.000 1.232 86 C CB 1.446 29.302 27.740 0.195 0.000 1.571 86 C HN 1.835 nan 8.230 nan 0.000 0.522 87 V N -1.133 118.792 119.914 0.017 0.000 3.074 87 V HA 0.842 4.962 4.120 -0.000 0.000 0.314 87 V C -0.836 175.205 176.094 -0.088 0.000 1.117 87 V CA -0.885 61.398 62.300 -0.027 0.000 1.014 87 V CB 1.910 33.749 31.823 0.027 0.000 1.057 87 V HN 0.839 nan 8.190 nan 0.000 0.438 88 F N 1.726 121.699 119.950 0.038 0.000 2.424 88 F HA 0.630 5.157 4.527 -0.000 0.000 0.356 88 F C 1.603 177.437 175.800 0.056 0.000 1.110 88 F CA 0.618 58.634 58.000 0.027 0.000 1.161 88 F CB 1.601 40.542 39.000 -0.098 0.000 1.115 88 F HN 0.779 nan 8.300 nan 0.000 0.507 89 G N 1.587 110.544 108.800 0.260 0.000 2.421 89 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.217 89 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.217 89 G C -0.095 174.914 174.900 0.182 0.000 1.143 89 G CA 0.754 45.967 45.100 0.188 0.000 0.784 89 G HN 0.666 nan 8.290 nan 0.000 0.541 90 D N -2.562 117.973 120.400 0.224 0.000 2.768 90 D HA 0.047 4.687 4.640 -0.000 0.000 0.327 90 D C 0.734 177.084 176.300 0.084 0.000 1.302 90 D CA -0.489 53.604 54.000 0.154 0.000 0.897 90 D CB 0.318 41.244 40.800 0.210 0.000 1.420 90 D HN 0.017 nan 8.370 nan 0.000 0.494 91 E N -0.974 119.188 120.200 -0.065 0.000 2.265 91 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 91 E C 0.569 177.018 176.600 -0.250 0.000 0.996 91 E CA 1.141 57.394 56.400 -0.244 0.000 0.832 91 E CB -0.152 29.310 29.700 -0.396 0.000 0.756 91 E HN 0.510 nan 8.360 nan 0.000 0.491 92 Y N -0.427 119.922 120.300 0.082 0.000 2.510 92 Y HA 0.133 4.683 4.550 -0.000 0.000 0.273 92 Y C 2.542 178.517 175.900 0.125 0.000 1.119 92 Y CA 0.384 58.531 58.100 0.077 0.000 1.286 92 Y CB 0.372 38.864 38.460 0.052 0.000 1.061 92 Y HN 0.007 nan 8.280 nan 0.000 0.542 93 S N -0.074 115.854 115.700 0.380 0.000 2.383 93 S HA -0.276 4.194 4.470 -0.000 0.000 0.229 93 S C 1.767 176.727 174.600 0.601 0.000 1.030 93 S CA 1.653 60.180 58.200 0.544 0.000 1.002 93 S CB -0.577 63.034 63.200 0.685 0.000 0.829 93 S HN 0.646 nan 8.310 nan 0.000 0.467 94 Y N 2.167 122.705 120.300 0.397 0.000 2.145 94 Y HA -0.138 4.412 4.550 -0.000 0.000 0.286 94 Y C 2.392 178.462 175.900 0.284 0.000 1.145 94 Y CA 1.553 59.890 58.100 0.395 0.000 1.148 94 Y CB -0.125 38.392 38.460 0.096 0.000 0.981 94 Y HN 0.133 nan 8.280 nan 0.000 0.507 95 E N -0.242 119.942 120.200 -0.027 0.000 2.051 95 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 95 E C 2.274 178.748 176.600 -0.209 0.000 0.991 95 E CA 1.575 57.880 56.400 -0.159 0.000 0.799 95 E CB -0.695 29.015 29.700 0.016 0.000 0.748 95 E HN 0.556 nan 8.360 nan 0.000 0.449 96 C N -0.261 118.875 119.300 -0.273 0.000 2.432 96 C HA -0.103 4.357 4.460 -0.000 0.000 0.282 96 C C 1.329 175.706 174.990 -1.021 0.000 1.388 96 C CA 0.286 58.930 59.018 -0.623 0.000 1.777 96 C CB -1.215 26.038 27.740 -0.812 0.000 1.882 96 C HN 0.352 nan 8.230 nan 0.000 0.520 97 Y N -0.375 119.773 120.300 -0.255 0.000 2.712 97 Y HA 0.213 4.763 4.550 -0.000 0.000 0.250 97 Y C 1.575 177.307 175.900 -0.280 0.000 1.101 97 Y CA -0.431 57.184 58.100 -0.809 0.000 1.118 97 Y CB -0.496 37.745 38.460 -0.364 0.000 1.203 97 Y HN 0.093 nan 8.280 nan 0.000 0.587 98 K N 1.883 122.208 120.400 -0.125 0.000 2.044 98 K HA -0.291 4.029 4.320 -0.000 0.000 0.210 98 K C 1.856 178.567 176.600 0.185 0.000 1.049 98 K CA 2.355 58.565 56.287 -0.128 0.000 0.927 98 K CB 0.011 32.285 32.500 -0.376 0.000 0.713 98 K HN 0.521 nan 8.250 nan 0.000 0.443 99 E N -0.748 119.621 120.200 0.281 0.000 2.333 99 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 99 E C 1.605 178.435 176.600 0.383 0.000 1.007 99 E CA 0.925 57.526 56.400 0.336 0.000 0.845 99 E CB -0.122 29.790 29.700 0.353 0.000 0.766 99 E HN 0.511 nan 8.360 nan 0.000 0.507 100 F N -0.522 119.598 119.950 0.282 0.000 2.317 100 F HA 0.077 4.604 4.527 -0.000 0.000 0.290 100 F C 1.374 177.268 175.800 0.156 0.000 1.075 100 F CA 0.493 58.610 58.000 0.194 0.000 1.380 100 F CB -0.229 38.881 39.000 0.182 0.000 1.093 100 F HN -0.064 nan 8.300 nan 0.000 0.524 101 F N 1.322 121.317 119.950 0.075 0.000 2.234 101 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 101 F C 2.267 178.132 175.800 0.110 0.000 1.087 101 F CA 1.316 59.319 58.000 0.005 0.000 1.340 101 F CB -0.930 38.309 39.000 0.398 0.000 1.031 101 F HN -0.010 nan 8.300 nan 0.000 0.500 102 D N 0.153 120.792 120.400 0.399 0.000 2.144 102 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 102 D C 2.180 178.611 176.300 0.219 0.000 0.984 102 D CA 1.031 55.240 54.000 0.347 0.000 0.834 102 D CB -0.127 40.865 40.800 0.319 0.000 0.955 102 D HN 0.245 nan 8.370 nan 0.000 0.465 103 K N 0.030 120.503 120.400 0.122 0.000 2.057 103 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 103 K C 2.387 179.017 176.600 0.049 0.000 1.049 103 K CA 0.701 57.034 56.287 0.076 0.000 0.931 103 K CB -0.355 32.172 32.500 0.044 0.000 0.714 103 K HN 0.195 nan 8.250 nan 0.000 0.440 104 C N 1.086 120.355 119.300 -0.053 0.000 2.429 104 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 104 C C 2.663 177.720 174.990 0.112 0.000 1.262 104 C CA 0.418 59.421 59.018 -0.025 0.000 1.733 104 C CB -0.717 26.949 27.740 -0.124 0.000 2.010 104 C HN 0.393 nan 8.230 nan 0.000 0.483 105 I N 0.334 121.018 120.570 0.189 0.000 2.226 105 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 105 I C 2.645 178.944 176.117 0.303 0.000 1.100 105 I CA 1.617 63.080 61.300 0.271 0.000 1.374 105 I CB -0.569 37.608 38.000 0.295 0.000 1.057 105 I HN 0.450 nan 8.210 nan 0.000 0.413 106 E N 0.550 120.910 120.200 0.266 0.000 2.427 106 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 106 E C 1.915 178.673 176.600 0.264 0.000 1.028 106 E CA 0.382 56.945 56.400 0.273 0.000 0.864 106 E CB 0.239 30.062 29.700 0.205 0.000 0.813 106 E HN 0.462 nan 8.360 nan 0.000 0.514 107 E N 0.394 120.722 120.200 0.213 0.000 2.033 107 E HA -0.143 4.207 4.350 -0.000 0.000 0.189 107 E C 1.997 178.754 176.600 0.263 0.000 0.979 107 E CA 0.835 57.365 56.400 0.217 0.000 0.802 107 E CB 0.037 29.829 29.700 0.154 0.000 0.763 107 E HN 0.241 nan 8.360 nan 0.000 0.449 108 I N 0.431 121.113 120.570 0.185 0.000 2.202 108 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 108 I C 2.134 178.245 176.117 -0.011 0.000 1.091 108 I CA 1.095 62.459 61.300 0.107 0.000 1.368 108 I CB -0.191 37.672 38.000 -0.228 0.000 1.058 108 I HN 0.241 nan 8.210 nan 0.000 0.410 109 H N -1.022 118.152 119.070 0.173 0.000 2.740 109 H HA 0.143 4.699 4.556 -0.000 0.000 0.265 109 H C -0.050 175.379 175.328 0.169 0.000 0.978 109 H CA 0.159 56.275 56.048 0.114 0.000 1.198 109 H CB 0.412 30.240 29.762 0.110 0.000 1.467 109 H HN 0.327 nan 8.280 nan 0.000 0.511 110 H N -1.224 118.035 119.070 0.314 0.000 2.886 110 H HA -0.186 4.370 4.556 -0.000 0.000 0.294 110 H C -0.628 174.860 175.328 0.266 0.000 1.246 110 H CA 0.395 56.583 56.048 0.234 0.000 1.142 110 H CB -2.762 27.107 29.762 0.178 0.000 1.358 110 H HN 0.273 nan 8.280 nan 0.000 0.406 111 F N 1.616 121.726 119.950 0.267 0.000 2.388 111 F HA 0.374 4.901 4.527 -0.000 0.000 0.358 111 F C 0.576 176.465 175.800 0.149 0.000 1.122 111 F CA -0.714 57.393 58.000 0.178 0.000 1.056 111 F CB 0.637 39.719 39.000 0.137 0.000 1.155 111 F HN -0.100 nan 8.300 nan 0.000 0.461 112 K N 6.963 127.261 120.400 -0.170 0.000 2.102 112 K HA 0.256 4.576 4.320 -0.000 0.000 0.244 112 K C -1.792 174.794 176.600 -0.024 0.000 1.021 112 K CA -1.557 54.697 56.287 -0.054 0.000 0.913 112 K CB 0.493 32.940 32.500 -0.088 0.000 1.062 112 K HN 0.344 nan 8.250 nan 0.000 0.485 113 P HA -0.146 nan 4.420 nan 0.000 0.220 113 P C 0.847 178.188 177.300 0.069 0.000 1.148 113 P CA 1.312 64.498 63.100 0.143 0.000 0.803 113 P CB 0.151 31.938 31.700 0.145 0.000 0.782 114 S N -2.404 113.286 115.700 -0.016 0.000 2.528 114 S HA 0.039 4.509 4.470 -0.000 0.000 0.219 114 S C 0.768 175.300 174.600 -0.114 0.000 0.985 114 S CA -0.227 57.953 58.200 -0.035 0.000 0.914 114 S CB -0.607 62.577 63.200 -0.027 0.000 0.776 114 S HN -0.000 nan 8.310 nan 0.000 0.526 115 D N 2.199 122.415 120.400 -0.306 0.000 2.360 115 D HA 0.387 5.027 4.640 -0.000 0.000 0.242 115 D C -0.163 175.976 176.300 -0.268 0.000 1.184 115 D CA 0.231 53.919 54.000 -0.521 0.000 0.930 115 D CB 0.677 40.746 40.800 -1.218 0.000 1.161 115 D HN 0.311 nan 8.370 nan 0.000 0.447 116 K N 0.257 120.647 120.400 -0.015 0.000 2.468 116 K HA 0.177 4.497 4.320 -0.000 0.000 0.252 116 K C -0.981 175.895 176.600 0.459 0.000 0.932 116 K CA -0.713 55.773 56.287 0.332 0.000 0.794 116 K CB 1.302 33.891 32.500 0.148 0.000 1.241 116 K HN 0.352 nan 8.250 nan 0.000 0.428 117 H N 4.214 123.485 119.070 0.334 0.000 2.964 117 H HA 0.134 4.690 4.556 -0.000 0.000 0.328 117 H C -2.018 173.362 175.328 0.087 0.000 1.030 117 H CA -0.688 55.435 56.048 0.125 0.000 1.445 117 H CB 0.714 30.407 29.762 -0.115 0.000 1.449 117 H HN 0.379 nan 8.280 nan 0.000 0.581 118 P HA 0.177 nan 4.420 nan 0.000 0.274 118 P C -0.913 176.193 177.300 -0.323 0.000 1.246 118 P CA -0.585 62.354 63.100 -0.269 0.000 0.795 118 P CB 0.729 32.302 31.700 -0.212 0.000 1.006 119 A N 2.649 125.393 122.820 -0.127 0.000 2.407 119 A HA 0.413 4.733 4.320 -0.000 0.000 0.248 119 A C -1.926 175.636 177.584 -0.036 0.000 1.082 119 A CA -1.096 50.907 52.037 -0.058 0.000 0.785 119 A CB -1.571 17.420 19.000 -0.016 0.000 1.020 119 A HN 0.421 nan 8.150 nan 0.000 0.489 120 P HA 0.092 nan 4.420 nan 0.000 0.264 120 P C -0.842 176.504 177.300 0.077 0.000 1.179 120 P CA 0.524 63.676 63.100 0.087 0.000 0.763 120 P CB 0.383 32.151 31.700 0.113 0.000 0.806 121 D N 2.743 123.213 120.400 0.117 0.000 2.358 121 D HA 0.201 4.841 4.640 -0.000 0.000 0.253 121 D C -0.249 176.162 176.300 0.186 0.000 1.288 121 D CA -0.253 53.819 54.000 0.119 0.000 0.950 121 D CB 0.396 41.263 40.800 0.110 0.000 1.197 121 D HN 0.161 nan 8.370 nan 0.000 0.550 122 L N 1.965 123.250 121.223 0.104 0.000 2.818 122 L HA 0.228 4.568 4.340 -0.000 0.000 0.243 122 L C 0.559 177.340 176.870 -0.147 0.000 1.185 122 L CA -0.197 54.653 54.840 0.017 0.000 0.988 122 L CB 0.408 42.473 42.059 0.010 0.000 1.292 122 L HN 0.167 nan 8.230 nan 0.000 0.519 123 D N 0.394 120.763 120.400 -0.052 0.000 2.416 123 D HA -0.027 4.613 4.640 -0.000 0.000 0.240 123 D C 1.401 177.625 176.300 -0.125 0.000 1.250 123 D CA -0.024 53.911 54.000 -0.109 0.000 0.967 123 D CB 0.565 41.331 40.800 -0.057 0.000 1.059 123 D HN 0.409 nan 8.370 nan 0.000 0.512 124 H N 1.387 120.289 119.070 -0.281 0.000 2.546 124 H HA 0.088 4.644 4.556 -0.000 0.000 0.277 124 H C 1.034 176.381 175.328 0.031 0.000 1.004 124 H CA 0.499 56.429 56.048 -0.196 0.000 1.231 124 H CB 0.152 29.683 29.762 -0.384 0.000 1.382 124 H HN 0.171 nan 8.280 nan 0.000 0.580 125 N N 1.078 119.526 118.700 -0.420 0.000 2.270 125 N HA -0.084 4.656 4.740 -0.000 0.000 0.181 125 N C 1.135 176.604 175.510 -0.069 0.000 1.016 125 N CA 0.745 53.642 53.050 -0.254 0.000 0.870 125 N CB 0.070 38.374 38.487 -0.306 0.000 0.979 125 N HN 0.420 nan 8.380 nan 0.000 0.431 126 K N 0.787 121.169 120.400 -0.031 0.000 2.525 126 K HA 0.029 4.349 4.320 -0.000 0.000 0.192 126 K C 0.548 177.186 176.600 0.062 0.000 1.029 126 K CA -0.224 56.073 56.287 0.017 0.000 1.029 126 K CB -0.322 32.194 32.500 0.026 0.000 0.814 126 K HN 0.107 nan 8.250 nan 0.000 0.503 127 L N 1.728 123.018 121.223 0.111 0.000 2.453 127 L HA -0.002 4.338 4.340 -0.000 0.000 0.272 127 L C -0.424 176.481 176.870 0.058 0.000 1.182 127 L CA 0.102 55.016 54.840 0.123 0.000 0.858 127 L CB 0.766 42.951 42.059 0.211 0.000 1.120 127 L HN -0.230 nan 8.230 nan 0.000 0.474 128 V N 6.669 126.604 119.914 0.035 0.000 2.407 128 V HA 0.706 4.826 4.120 -0.000 0.000 0.278 128 V C 0.992 177.071 176.094 -0.024 0.000 1.037 128 V CA 0.175 62.480 62.300 0.008 0.000 0.900 128 V CB 0.131 31.961 31.823 0.011 0.000 0.983 128 V HN 1.177 nan 8.190 nan 0.000 0.459 129 G N 4.037 112.806 108.800 -0.051 0.000 2.574 129 G HA2 0.174 4.134 3.960 -0.000 0.000 0.282 129 G HA3 0.174 4.134 3.960 -0.000 0.000 0.282 129 G C 0.939 175.715 174.900 -0.208 0.000 1.257 129 G CA 0.237 45.263 45.100 -0.123 0.000 0.956 129 G HN 2.328 nan 8.290 nan 0.000 0.560 130 G N -3.541 104.977 108.800 -0.470 0.000 2.176 130 G HA2 0.102 4.062 3.960 -0.000 0.000 0.232 130 G HA3 0.102 4.062 3.960 -0.000 0.000 0.232 130 G C 0.274 174.747 174.900 -0.712 0.000 0.986 130 G CA 0.804 45.514 45.100 -0.649 0.000 0.643 130 G HN 1.907 nan 8.290 nan 0.000 0.522 131 V N 2.048 121.614 119.914 -0.579 0.000 2.294 131 V HA 0.607 4.727 4.120 -0.000 0.000 0.272 131 V C 0.181 176.063 176.094 -0.352 0.000 1.027 131 V CA -0.648 61.447 62.300 -0.343 0.000 0.823 131 V CB 0.182 31.924 31.823 -0.136 0.000 1.030 131 V HN 0.249 nan 8.190 nan 0.000 0.457 132 F N 1.488 121.468 119.950 0.051 0.000 2.378 132 F HA 0.406 4.933 4.527 -0.000 0.000 0.325 132 F C 1.062 176.911 175.800 0.082 0.000 1.097 132 F CA -0.781 57.256 58.000 0.063 0.000 1.079 132 F CB 0.794 39.834 39.000 0.068 0.000 1.240 132 F HN 0.365 nan 8.300 nan 0.000 0.519 133 E N 1.255 121.647 120.200 0.320 0.000 2.417 133 E HA -0.097 4.253 4.350 -0.000 0.000 0.261 133 E C 0.230 176.964 176.600 0.224 0.000 1.000 133 E CA -0.021 56.527 56.400 0.246 0.000 0.919 133 E CB 0.468 30.348 29.700 0.300 0.000 0.955 133 E HN 0.575 nan 8.360 nan 0.000 0.455 134 D N 2.966 123.449 120.400 0.139 0.000 2.242 134 D HA -0.276 4.364 4.640 -0.000 0.000 0.190 134 D C 1.613 177.944 176.300 0.053 0.000 1.012 134 D CA 1.540 55.593 54.000 0.089 0.000 0.875 134 D CB 0.060 40.891 40.800 0.052 0.000 0.922 134 D HN 0.411 nan 8.370 nan 0.000 0.448 135 K N -1.329 119.071 120.400 0.000 0.000 2.218 135 K HA -0.209 4.111 4.320 -0.000 0.000 0.205 135 K C 1.292 177.676 176.600 -0.360 0.000 1.046 135 K CA 1.324 57.484 56.287 -0.211 0.000 0.933 135 K CB -0.010 32.288 32.500 -0.337 0.000 0.728 135 K HN 0.343 nan 8.250 nan 0.000 0.454 136 Y N -1.390 118.940 120.300 0.050 0.000 2.664 136 Y HA 0.185 4.735 4.550 -0.000 0.000 0.278 136 Y C 0.335 176.244 175.900 0.015 0.000 1.130 136 Y CA -0.552 57.565 58.100 0.028 0.000 1.260 136 Y CB 0.842 39.306 38.460 0.007 0.000 1.369 136 Y HN -0.299 nan 8.280 nan 0.000 0.499 137 V N 3.228 123.251 119.914 0.183 0.000 2.364 137 V HA 0.175 4.295 4.120 -0.000 0.000 0.272 137 V C 0.358 176.518 176.094 0.110 0.000 1.036 137 V CA -0.514 61.853 62.300 0.112 0.000 0.880 137 V CB 1.363 33.248 31.823 0.104 0.000 0.991 137 V HN 0.238 nan 8.190 nan 0.000 0.460 138 K N 2.549 123.005 120.400 0.092 0.000 2.334 138 K HA 0.229 4.549 4.320 -0.000 0.000 0.195 138 K C 0.649 177.268 176.600 0.031 0.000 1.045 138 K CA 0.497 56.824 56.287 0.067 0.000 1.004 138 K CB 0.745 33.288 32.500 0.071 0.000 0.837 138 K HN 0.745 nan 8.250 nan 0.000 0.510 139 S N -0.863 114.840 115.700 0.005 0.000 2.588 139 S HA 0.529 4.999 4.470 -0.000 0.000 0.269 139 S C -1.041 173.513 174.600 -0.077 0.000 1.157 139 S CA -0.974 57.180 58.200 -0.076 0.000 0.824 139 S CB 1.674 64.732 63.200 -0.236 0.000 1.126 139 S HN 0.093 nan 8.310 nan 0.000 0.464 140 C N 0.922 120.185 119.300 -0.062 0.000 2.698 140 C HA 0.926 5.386 4.460 -0.000 0.000 0.309 140 C C -0.519 174.444 174.990 -0.045 0.000 1.186 140 C CA -0.467 58.540 59.018 -0.019 0.000 1.474 140 C CB 1.839 29.616 27.740 0.062 0.000 2.020 140 C HN 1.026 nan 8.230 nan 0.000 0.474 141 R N 2.676 123.144 120.500 -0.053 0.000 2.536 141 R HA 0.754 5.094 4.340 -0.000 0.000 0.269 141 R C -2.099 174.146 176.300 -0.093 0.000 1.113 141 R CA -0.392 55.669 56.100 -0.065 0.000 0.948 141 R CB 1.103 31.338 30.300 -0.108 0.000 1.237 141 R HN 0.806 nan 8.270 nan 0.000 0.441 142 I N 3.799 124.298 120.570 -0.118 0.000 2.608 142 I HA 0.582 4.752 4.170 -0.000 0.000 0.295 142 I C -0.551 175.387 176.117 -0.298 0.000 1.049 142 I CA -0.935 60.199 61.300 -0.277 0.000 1.063 142 I CB 2.067 39.806 38.000 -0.435 0.000 1.248 142 I HN 0.531 nan 8.210 nan 0.000 0.424 143 R N 4.971 125.265 120.500 -0.343 0.000 2.643 143 R HA 0.722 5.062 4.340 -0.000 0.000 0.269 143 R C -1.788 174.448 176.300 -0.107 0.000 1.037 143 R CA -0.436 55.563 56.100 -0.168 0.000 0.894 143 R CB 1.813 31.999 30.300 -0.190 0.000 1.238 143 R HN 0.906 nan 8.270 nan 0.000 0.459 144 C N -0.116 119.247 119.300 0.106 0.000 3.044 144 C HA 1.005 5.465 4.460 -0.000 0.000 0.315 144 C C 0.171 175.177 174.990 0.027 0.000 1.320 144 C CA -0.264 58.809 59.018 0.091 0.000 1.582 144 C CB 1.446 29.327 27.740 0.236 0.000 2.039 144 C HN 0.949 nan 8.230 nan 0.000 0.466 145 G N 0.703 109.498 108.800 -0.008 0.000 2.498 145 G HA2 0.854 4.814 3.960 -0.000 0.000 0.312 145 G HA3 0.854 4.814 3.960 -0.000 0.000 0.312 145 G C -1.397 173.453 174.900 -0.083 0.000 1.230 145 G CA -0.591 44.491 45.100 -0.029 0.000 0.968 145 G HN 0.892 nan 8.290 nan 0.000 0.481 146 R N -0.560 119.888 120.500 -0.087 0.000 2.764 146 R HA 0.710 5.050 4.340 -0.000 0.000 0.270 146 R C -1.334 174.940 176.300 -0.044 0.000 1.014 146 R CA -0.828 55.194 56.100 -0.130 0.000 0.904 146 R CB 1.809 31.967 30.300 -0.237 0.000 1.236 146 R HN 0.522 nan 8.270 nan 0.000 0.466 147 S N 0.208 115.901 115.700 -0.012 0.000 2.557 147 S HA 0.343 4.813 4.470 -0.000 0.000 0.291 147 S C -0.419 174.267 174.600 0.143 0.000 1.116 147 S CA -0.780 57.462 58.200 0.070 0.000 0.992 147 S CB 2.321 65.479 63.200 -0.070 0.000 1.028 147 S HN 0.287 nan 8.310 nan 0.000 0.484 148 V N 3.994 124.066 119.914 0.264 0.000 2.421 148 V HA 0.114 4.234 4.120 -0.000 0.000 0.271 148 V C 0.820 176.986 176.094 0.121 0.000 1.031 148 V CA -0.266 62.104 62.300 0.118 0.000 1.032 148 V CB -0.264 31.550 31.823 -0.016 0.000 1.009 148 V HN 0.849 nan 8.190 nan 0.000 0.477 149 K N 4.277 124.724 120.400 0.078 0.000 2.440 149 K HA 0.291 4.611 4.320 -0.000 0.000 0.270 149 K C 1.170 177.798 176.600 0.046 0.000 0.980 149 K CA 0.797 57.108 56.287 0.041 0.000 0.953 149 K CB 0.191 32.704 32.500 0.023 0.000 0.925 149 K HN 1.022 nan 8.250 nan 0.000 0.497 150 G N 0.626 109.442 108.800 0.027 0.000 2.176 150 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 150 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 150 G C -0.428 174.516 174.900 0.073 0.000 0.979 150 G CA 0.072 45.202 45.100 0.050 0.000 0.641 150 G HN 0.569 nan 8.290 nan 0.000 0.530 151 V N 0.741 120.709 119.914 0.090 0.000 2.709 151 V HA 0.493 4.613 4.120 -0.000 0.000 0.308 151 V C 1.080 177.285 176.094 0.185 0.000 1.062 151 V CA -0.697 61.674 62.300 0.119 0.000 0.901 151 V CB 1.740 33.602 31.823 0.064 0.000 1.003 151 V HN 0.483 nan 8.190 nan 0.000 0.425 152 C N 5.252 124.651 119.300 0.164 0.000 2.608 152 C HA 0.099 4.559 4.460 -0.000 0.000 0.407 152 C C 0.750 175.856 174.990 0.193 0.000 1.322 152 C CA -0.159 58.955 59.018 0.161 0.000 1.778 152 C CB -0.949 26.875 27.740 0.141 0.000 2.654 152 C HN 0.622 nan 8.230 nan 0.000 0.622 153 L N 5.160 126.424 121.223 0.068 0.000 2.456 153 L HA 0.223 4.563 4.340 -0.000 0.000 0.257 153 L C -1.221 175.669 176.870 0.033 0.000 1.162 153 L CA -1.220 53.565 54.840 -0.091 0.000 0.808 153 L CB 0.077 42.075 42.059 -0.103 0.000 1.136 153 L HN 0.425 nan 8.230 nan 0.000 0.466 154 P HA -0.160 nan 4.420 nan 0.000 0.217 154 P C -1.501 175.841 177.300 0.070 0.000 1.151 154 P CA 1.460 64.605 63.100 0.076 0.000 0.849 154 P CB -0.770 30.962 31.700 0.052 0.000 0.787 155 P HA -0.084 nan 4.420 nan 0.000 0.222 155 P C 0.850 178.188 177.300 0.064 0.000 1.147 155 P CA 1.846 64.978 63.100 0.054 0.000 0.790 155 P CB -0.262 31.467 31.700 0.049 0.000 0.780 156 A N -0.942 121.925 122.820 0.079 0.000 2.358 156 A HA 0.272 4.592 4.320 -0.000 0.000 0.223 156 A C 1.255 178.892 177.584 0.089 0.000 1.218 156 A CA -0.243 51.844 52.037 0.084 0.000 0.942 156 A CB -0.603 18.457 19.000 0.100 0.000 1.005 156 A HN 0.187 nan 8.150 nan 0.000 0.514 157 M N 0.777 120.437 119.600 0.100 0.000 2.226 157 M HA 0.493 4.973 4.480 -0.000 0.000 0.324 157 M C 0.216 176.563 176.300 0.080 0.000 1.112 157 M CA 0.142 55.504 55.300 0.104 0.000 1.176 157 M CB 0.541 33.225 32.600 0.140 0.000 1.430 157 M HN 0.233 nan 8.290 nan 0.000 0.462 158 S N 1.861 117.601 115.700 0.067 0.000 2.730 158 S HA 0.441 4.911 4.470 -0.000 0.000 0.284 158 S C 0.765 175.390 174.600 0.042 0.000 1.153 158 S CA -0.912 57.319 58.200 0.052 0.000 0.995 158 S CB 1.571 64.798 63.200 0.044 0.000 1.058 158 S HN 0.879 nan 8.310 nan 0.000 0.552 159 R N 0.145 120.665 120.500 0.035 0.000 2.081 159 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 159 R C 2.513 178.821 176.300 0.014 0.000 1.131 159 R CA 1.421 57.536 56.100 0.025 0.000 0.960 159 R CB -0.984 29.330 30.300 0.024 0.000 0.856 159 R HN 0.810 nan 8.270 nan 0.000 0.436 160 A N 1.157 123.985 122.820 0.014 0.000 1.930 160 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 160 A C 1.855 179.437 177.584 -0.003 0.000 1.175 160 A CA 1.317 53.358 52.037 0.006 0.000 0.627 160 A CB -0.243 18.764 19.000 0.011 0.000 0.815 160 A HN 0.323 nan 8.150 nan 0.000 0.443 161 E N -0.865 119.337 120.200 0.004 0.000 2.072 161 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 161 E C 2.306 178.878 176.600 -0.048 0.000 0.982 161 E CA 0.849 57.242 56.400 -0.012 0.000 0.803 161 E CB -0.154 29.558 29.700 0.021 0.000 0.755 161 E HN 0.561 nan 8.360 nan 0.000 0.453 162 R N 1.065 121.552 120.500 -0.021 0.000 2.081 162 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 162 R C 2.275 178.542 176.300 -0.056 0.000 1.131 162 R CA 1.341 57.421 56.100 -0.033 0.000 0.960 162 R CB 0.061 30.366 30.300 0.007 0.000 0.856 162 R HN 0.006 nan 8.270 nan 0.000 0.436 163 R N 0.062 120.540 120.500 -0.037 0.000 2.073 163 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 163 R C 2.277 178.541 176.300 -0.060 0.000 1.134 163 R CA 1.396 57.474 56.100 -0.037 0.000 0.952 163 R CB -0.526 29.763 30.300 -0.019 0.000 0.850 163 R HN 0.154 nan 8.270 nan 0.000 0.433 164 L N 0.686 121.870 121.223 -0.064 0.000 1.955 164 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 164 L C 2.046 178.832 176.870 -0.140 0.000 1.072 164 L CA 1.758 56.549 54.840 -0.080 0.000 0.755 164 L CB -0.782 41.239 42.059 -0.062 0.000 0.888 164 L HN -0.043 nan 8.230 nan 0.000 0.432 165 V N 0.164 119.964 119.914 -0.190 0.000 2.278 165 V HA -0.391 3.729 4.120 -0.000 0.000 0.251 165 V C 2.703 178.652 176.094 -0.241 0.000 1.062 165 V CA 2.273 64.406 62.300 -0.278 0.000 1.038 165 V CB -0.807 30.766 31.823 -0.417 0.000 0.646 165 V HN 0.655 nan 8.190 nan 0.000 0.447 166 E N -0.372 119.720 120.200 -0.180 0.000 2.085 166 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 166 E C 2.390 178.856 176.600 -0.223 0.000 0.994 166 E CA 1.367 57.657 56.400 -0.183 0.000 0.801 166 E CB -0.056 29.593 29.700 -0.085 0.000 0.743 166 E HN 0.369 nan 8.360 nan 0.000 0.453 167 K N 0.553 120.856 120.400 -0.161 0.000 1.984 167 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 167 K C 2.206 178.702 176.600 -0.174 0.000 1.046 167 K CA 0.974 57.180 56.287 -0.135 0.000 0.934 167 K CB -0.714 31.737 32.500 -0.082 0.000 0.717 167 K HN 0.064 nan 8.250 nan 0.000 0.438 168 V N 1.147 120.931 119.914 -0.216 0.000 2.231 168 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 168 V C 2.582 178.470 176.094 -0.344 0.000 1.058 168 V CA 2.106 64.203 62.300 -0.338 0.000 1.022 168 V CB -0.481 30.965 31.823 -0.628 0.000 0.640 168 V HN 0.081 nan 8.190 nan 0.000 0.445 169 V N 0.610 120.314 119.914 -0.350 0.000 2.358 169 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 169 V C 2.698 178.595 176.094 -0.329 0.000 1.047 169 V CA 2.129 64.233 62.300 -0.326 0.000 1.035 169 V CB -0.806 30.841 31.823 -0.292 0.000 0.658 169 V HN 0.793 nan 8.190 nan 0.000 0.452 170 S N 0.333 115.815 115.700 -0.363 0.000 2.359 170 S HA -0.295 4.175 4.470 -0.000 0.000 0.224 170 S C 1.725 176.208 174.600 -0.195 0.000 1.035 170 S CA 1.898 59.885 58.200 -0.355 0.000 1.018 170 S CB -0.669 62.300 63.200 -0.384 0.000 0.876 170 S HN 0.546 nan 8.310 nan 0.000 0.448 171 D N 2.457 122.764 120.400 -0.155 0.000 2.104 171 D HA 0.023 4.663 4.640 -0.000 0.000 0.194 171 D C 2.366 178.610 176.300 -0.094 0.000 0.994 171 D CA 1.645 55.592 54.000 -0.088 0.000 0.830 171 D CB -0.885 39.882 40.800 -0.056 0.000 0.959 171 D HN 0.561 nan 8.370 nan 0.000 0.452 172 A N 0.473 123.214 122.820 -0.131 0.000 1.940 172 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 172 A C 2.353 179.832 177.584 -0.176 0.000 1.176 172 A CA 1.010 52.973 52.037 -0.123 0.000 0.631 172 A CB -0.747 18.171 19.000 -0.137 0.000 0.814 172 A HN 0.259 nan 8.150 nan 0.000 0.446 173 L N -0.842 120.215 121.223 -0.276 0.000 2.217 173 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 173 L C 2.631 179.398 176.870 -0.171 0.000 1.107 173 L CA 0.705 55.278 54.840 -0.445 0.000 0.783 173 L CB -0.713 40.786 42.059 -0.934 0.000 0.919 173 L HN 0.493 nan 8.230 nan 0.000 0.442 174 G N -0.125 108.651 108.800 -0.040 0.000 2.527 174 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 174 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 174 G C 1.456 176.381 174.900 0.041 0.000 1.117 174 G CA 0.686 45.822 45.100 0.060 0.000 0.759 174 G HN 0.504 nan 8.290 nan 0.000 0.556 175 G N 0.049 108.844 108.800 -0.008 0.000 2.623 175 G HA2 0.184 4.144 3.960 -0.000 0.000 0.214 175 G HA3 0.184 4.144 3.960 -0.000 0.000 0.214 175 G C 0.687 175.593 174.900 0.011 0.000 1.138 175 G CA -0.478 44.619 45.100 -0.006 0.000 0.794 175 G HN 0.383 nan 8.290 nan 0.000 0.535 176 L N 2.003 123.244 121.223 0.029 0.000 2.500 176 L HA 0.209 4.549 4.340 -0.000 0.000 0.272 176 L C 0.233 177.173 176.870 0.117 0.000 1.149 176 L CA -0.065 54.819 54.840 0.073 0.000 0.897 176 L CB 0.604 42.741 42.059 0.130 0.000 1.178 176 L HN 0.018 nan 8.230 nan 0.000 0.473 177 K N 2.476 122.914 120.400 0.062 0.000 2.245 177 K HA 0.713 5.033 4.320 -0.000 0.000 0.234 177 K C 0.617 177.244 176.600 0.045 0.000 1.021 177 K CA -0.003 56.316 56.287 0.053 0.000 0.898 177 K CB 1.173 33.687 32.500 0.023 0.000 1.163 177 K HN 0.652 nan 8.250 nan 0.000 0.459 178 G N 1.711 110.532 108.800 0.035 0.000 2.574 178 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.286 178 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.286 178 G C 0.451 175.371 174.900 0.033 0.000 1.212 178 G CA 0.806 45.919 45.100 0.022 0.000 0.979 178 G HN 0.743 nan 8.290 nan 0.000 0.557 179 D N 0.679 121.089 120.400 0.017 0.000 2.348 179 D HA 0.007 4.647 4.640 -0.000 0.000 0.216 179 D C 2.130 178.466 176.300 0.060 0.000 0.970 179 D CA 1.360 55.376 54.000 0.026 0.000 0.889 179 D CB -0.309 40.495 40.800 0.005 0.000 0.912 179 D HN 0.559 nan 8.370 nan 0.000 0.524 180 L N -0.139 121.124 121.223 0.067 0.000 2.685 180 L HA 0.433 4.773 4.340 -0.000 0.000 0.233 180 L C 0.773 177.864 176.870 0.368 0.000 1.173 180 L CA -0.535 54.414 54.840 0.183 0.000 0.961 180 L CB -0.155 41.894 42.059 -0.017 0.000 1.217 180 L HN -0.044 nan 8.230 nan 0.000 0.478 181 A N 0.286 123.242 122.820 0.227 0.000 2.363 181 A HA 0.693 5.013 4.320 -0.000 0.000 0.270 181 A C 0.488 178.149 177.584 0.127 0.000 1.121 181 A CA 0.384 52.562 52.037 0.234 0.000 0.800 181 A CB 0.659 19.732 19.000 0.121 0.000 1.052 181 A HN 0.338 nan 8.150 nan 0.000 0.493 182 G N 0.668 109.536 108.800 0.113 0.000 2.896 182 G HA2 0.622 4.582 3.960 -0.000 0.000 0.247 182 G HA3 0.622 4.582 3.960 -0.000 0.000 0.247 182 G C -1.019 173.690 174.900 -0.319 0.000 1.187 182 G CA -0.360 44.501 45.100 -0.399 0.000 0.837 182 G HN 0.797 nan 8.290 nan 0.000 0.559 183 K N -1.117 118.842 120.400 -0.735 0.000 2.578 183 K HA 0.412 4.732 4.320 -0.000 0.000 0.269 183 K C -2.161 174.073 176.600 -0.611 0.000 0.941 183 K CA -0.735 55.260 56.287 -0.486 0.000 0.847 183 K CB 2.614 34.801 32.500 -0.521 0.000 1.397 183 K HN 0.476 nan 8.250 nan 0.000 0.422 184 Y N 2.206 122.272 120.300 -0.390 0.000 2.310 184 Y HA 0.402 4.952 4.550 -0.000 0.000 0.326 184 Y C -1.453 174.116 175.900 -0.551 0.000 1.151 184 Y CA -0.274 57.709 58.100 -0.197 0.000 1.195 184 Y CB 0.725 39.223 38.460 0.065 0.000 1.210 184 Y HN 0.441 nan 8.280 nan 0.000 0.483 185 Y N 6.695 126.593 120.300 -0.671 0.000 2.526 185 Y HA 0.362 4.912 4.550 -0.000 0.000 0.328 185 Y C -2.329 173.066 175.900 -0.840 0.000 0.995 185 Y CA -2.817 54.922 58.100 -0.603 0.000 1.304 185 Y CB 0.651 38.922 38.460 -0.316 0.000 1.096 185 Y HN 0.496 nan 8.280 nan 0.000 0.499 186 P HA -0.041 nan 4.420 nan 0.000 0.267 186 P C 0.630 177.799 177.300 -0.218 0.000 1.200 186 P CA -0.163 62.658 63.100 -0.466 0.000 0.772 186 P CB 1.610 33.178 31.700 -0.219 0.000 0.855 187 L N 3.046 124.174 121.223 -0.160 0.000 2.217 187 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 187 L C 2.605 179.404 176.870 -0.117 0.000 1.107 187 L CA 2.318 57.072 54.840 -0.143 0.000 0.783 187 L CB -1.757 40.184 42.059 -0.196 0.000 0.919 187 L HN 0.495 nan 8.230 nan 0.000 0.442 188 T N -4.365 110.123 114.554 -0.111 0.000 2.833 188 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 188 T C 1.481 176.149 174.700 -0.053 0.000 1.054 188 T CA 1.750 63.803 62.100 -0.078 0.000 1.135 188 T CB -0.679 68.151 68.868 -0.063 0.000 0.869 188 T HN 0.449 nan 8.240 nan 0.000 0.466 189 T N -1.652 112.869 114.554 -0.056 0.000 3.054 189 T HA 0.422 4.772 4.350 -0.000 0.000 0.255 189 T C 0.522 175.200 174.700 -0.036 0.000 1.035 189 T CA -0.568 61.509 62.100 -0.039 0.000 0.941 189 T CB -0.266 68.580 68.868 -0.037 0.000 1.026 189 T HN 0.446 nan 8.240 nan 0.000 0.533 190 M N 4.296 123.868 119.600 -0.048 0.000 2.200 190 M HA 0.266 4.746 4.480 -0.000 0.000 0.355 190 M C 0.041 176.319 176.300 -0.037 0.000 1.283 190 M CA -0.660 54.613 55.300 -0.046 0.000 1.124 190 M CB 0.668 33.227 32.600 -0.068 0.000 1.625 190 M HN 0.273 nan 8.290 nan 0.000 0.463 191 N N 3.606 122.286 118.700 -0.033 0.000 2.483 191 N HA -0.030 4.710 4.740 -0.000 0.000 0.269 191 N C 0.119 175.613 175.510 -0.026 0.000 1.209 191 N CA -0.080 52.956 53.050 -0.025 0.000 0.969 191 N CB 0.854 39.329 38.487 -0.021 0.000 1.173 191 N HN 0.920 nan 8.380 nan 0.000 0.475 192 E N 1.143 121.333 120.200 -0.016 0.000 2.150 192 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 192 E C 1.088 177.675 176.600 -0.022 0.000 0.985 192 E CA 1.191 57.583 56.400 -0.013 0.000 0.814 192 E CB 0.127 29.825 29.700 -0.003 0.000 0.752 192 E HN 0.661 nan 8.360 nan 0.000 0.466 193 K N 0.184 120.569 120.400 -0.024 0.000 2.116 193 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 193 K C 1.760 178.338 176.600 -0.036 0.000 1.052 193 K CA 1.290 57.560 56.287 -0.028 0.000 0.952 193 K CB 0.110 32.596 32.500 -0.023 0.000 0.729 193 K HN 0.102 nan 8.250 nan 0.000 0.446 194 D N 0.586 120.960 120.400 -0.043 0.000 2.097 194 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 194 D C 1.873 178.134 176.300 -0.066 0.000 0.989 194 D CA 1.077 55.042 54.000 -0.058 0.000 0.827 194 D CB -0.038 40.720 40.800 -0.070 0.000 0.966 194 D HN 0.197 nan 8.370 nan 0.000 0.456 195 Q N 0.445 120.205 119.800 -0.066 0.000 2.096 195 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 195 Q C 1.791 177.749 176.000 -0.071 0.000 0.982 195 Q CA 1.355 57.111 55.803 -0.078 0.000 0.850 195 Q CB 0.076 28.777 28.738 -0.062 0.000 0.901 195 Q HN 0.329 nan 8.270 nan 0.000 0.422 196 E N -0.291 119.878 120.200 -0.053 0.000 2.106 196 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 196 E C 2.031 178.596 176.600 -0.058 0.000 0.984 196 E CA 0.963 57.332 56.400 -0.052 0.000 0.806 196 E CB 0.073 29.749 29.700 -0.040 0.000 0.750 196 E HN 0.246 nan 8.360 nan 0.000 0.458 197 Q N 0.925 120.696 119.800 -0.049 0.000 2.016 197 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 197 Q C 2.089 178.073 176.000 -0.026 0.000 0.978 197 Q CA 1.302 57.081 55.803 -0.040 0.000 0.833 197 Q CB -0.309 28.412 28.738 -0.028 0.000 0.895 197 Q HN 0.247 nan 8.270 nan 0.000 0.427 198 L N -0.065 121.154 121.223 -0.007 0.000 1.997 198 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 198 L C 2.304 179.179 176.870 0.009 0.000 1.074 198 L CA 1.540 56.420 54.840 0.067 0.000 0.763 198 L CB -0.675 41.393 42.059 0.016 0.000 0.890 198 L HN 0.321 nan 8.230 nan 0.000 0.434 199 I N -1.084 119.447 120.570 -0.065 0.000 2.454 199 I HA -0.232 3.938 4.170 -0.000 0.000 0.254 199 I C 2.465 178.470 176.117 -0.187 0.000 1.156 199 I CA 1.046 62.285 61.300 -0.102 0.000 1.433 199 I CB -0.492 37.449 38.000 -0.099 0.000 1.082 199 I HN 0.351 nan 8.210 nan 0.000 0.432 200 E N 0.953 121.047 120.200 -0.177 0.000 2.274 200 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 200 E C 0.642 177.016 176.600 -0.377 0.000 0.996 200 E CA 0.936 57.196 56.400 -0.233 0.000 0.840 200 E CB 0.130 29.751 29.700 -0.132 0.000 0.772 200 E HN 0.489 nan 8.360 nan 0.000 0.491 201 D N -1.050 119.149 120.400 -0.335 0.000 2.395 201 D HA 0.044 4.684 4.640 -0.000 0.000 0.213 201 D C -0.119 175.774 176.300 -0.678 0.000 1.110 201 D CA 0.037 53.788 54.000 -0.416 0.000 0.835 201 D CB 0.239 40.932 40.800 -0.178 0.000 0.965 201 D HN 0.202 nan 8.370 nan 0.000 0.505 202 H N -1.726 117.121 119.070 -0.373 0.000 3.433 202 H HA -0.178 4.378 4.556 -0.000 0.000 0.197 202 H C 0.624 175.841 175.328 -0.185 0.000 1.059 202 H CA 0.593 56.476 56.048 -0.274 0.000 1.185 202 H CB -1.806 27.770 29.762 -0.311 0.000 1.106 202 H HN 0.222 nan 8.280 nan 0.000 0.329 203 F N 0.315 120.360 119.950 0.158 0.000 2.317 203 F HA 0.192 4.719 4.527 -0.000 0.000 0.293 203 F C 1.422 177.431 175.800 0.348 0.000 1.085 203 F CA 0.348 58.456 58.000 0.180 0.000 1.390 203 F CB 0.228 39.248 39.000 0.034 0.000 1.077 203 F HN 0.010 nan 8.300 nan 0.000 0.517 204 L N 0.144 121.555 121.223 0.312 0.000 2.331 204 L HA 0.428 4.768 4.340 -0.000 0.000 0.275 204 L C -0.291 176.448 176.870 -0.218 0.000 1.022 204 L CA -1.386 53.436 54.840 -0.030 0.000 0.812 204 L CB 0.607 42.493 42.059 -0.288 0.000 1.257 204 L HN 0.029 nan 8.230 nan 0.000 0.435 205 F N 0.454 119.993 119.950 -0.684 0.000 2.545 205 F HA 0.355 4.882 4.527 -0.000 0.000 0.348 205 F C 0.665 176.305 175.800 -0.266 0.000 1.163 205 F CA -0.790 56.754 58.000 -0.759 0.000 1.331 205 F CB -0.429 37.836 39.000 -1.226 0.000 1.138 205 F HN 0.686 nan 8.300 nan 0.000 0.602 206 E N 1.524 121.748 120.200 0.041 0.000 2.410 206 E HA 0.190 4.540 4.350 -0.000 0.000 0.255 206 E C -0.786 175.847 176.600 0.055 0.000 1.194 206 E CA -0.917 55.488 56.400 0.009 0.000 0.955 206 E CB 0.457 30.146 29.700 -0.019 0.000 0.988 206 E HN 0.653 nan 8.360 nan 0.000 0.461 207 K N 0.898 121.289 120.400 -0.014 0.000 2.380 207 K HA 0.072 4.392 4.320 -0.000 0.000 0.267 207 K C -1.809 174.633 176.600 -0.265 0.000 0.990 207 K CA -1.245 55.005 56.287 -0.062 0.000 0.946 207 K CB 0.172 32.641 32.500 -0.051 0.000 0.937 207 K HN 0.475 nan 8.250 nan 0.000 0.491 208 P HA -0.051 nan 4.420 nan 0.000 0.251 208 P C -0.282 176.756 177.300 -0.437 0.000 1.624 208 P CA 0.550 63.132 63.100 -0.864 0.000 0.907 208 P CB -0.502 30.295 31.700 -1.504 0.000 1.867 209 T N -4.628 109.765 114.554 -0.269 0.000 3.003 209 T HA 0.208 4.558 4.350 -0.000 0.000 0.261 209 T C 1.143 175.780 174.700 -0.104 0.000 1.003 209 T CA -0.144 61.861 62.100 -0.158 0.000 0.917 209 T CB 0.043 68.847 68.868 -0.107 0.000 1.084 209 T HN 0.180 nan 8.240 nan 0.000 0.522 210 G N 0.860 109.592 108.800 -0.114 0.000 2.365 210 G HA2 0.469 4.429 3.960 -0.000 0.000 0.249 210 G HA3 0.469 4.429 3.960 -0.000 0.000 0.249 210 G C 1.152 176.024 174.900 -0.046 0.000 1.288 210 G CA -0.109 44.953 45.100 -0.063 0.000 0.887 210 G HN 0.350 nan 8.290 nan 0.000 0.524 211 A N 3.303 126.120 122.820 -0.005 0.000 1.873 211 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 211 A C 2.369 179.944 177.584 -0.015 0.000 1.193 211 A CA 1.967 54.000 52.037 -0.006 0.000 0.629 211 A CB -0.603 18.406 19.000 0.015 0.000 0.826 211 A HN 1.001 nan 8.150 nan 0.000 0.447 212 L N -0.473 120.747 121.223 -0.005 0.000 1.956 212 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 212 L C 2.299 179.156 176.870 -0.022 0.000 1.073 212 L CA 2.580 57.416 54.840 -0.007 0.000 0.762 212 L CB -1.006 41.055 42.059 0.004 0.000 0.889 212 L HN 0.388 nan 8.230 nan 0.000 0.433 213 L N -0.601 120.597 121.223 -0.040 0.000 2.010 213 L HA -0.316 4.024 4.340 -0.000 0.000 0.219 213 L C 2.560 179.391 176.870 -0.065 0.000 1.077 213 L CA 3.055 57.855 54.840 -0.066 0.000 0.773 213 L CB -1.021 40.963 42.059 -0.126 0.000 0.892 213 L HN 0.757 nan 8.230 nan 0.000 0.436 214 T N -4.586 109.925 114.554 -0.072 0.000 2.706 214 T HA -0.171 4.179 4.350 -0.000 0.000 0.255 214 T C 1.875 176.555 174.700 -0.033 0.000 1.048 214 T CA 1.648 63.710 62.100 -0.063 0.000 1.153 214 T CB -1.541 67.284 68.868 -0.071 0.000 0.865 214 T HN 0.550 nan 8.240 nan 0.000 0.414 215 T N 1.513 116.049 114.554 -0.029 0.000 2.822 215 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 215 T C 2.166 176.858 174.700 -0.015 0.000 1.064 215 T CA 1.719 63.807 62.100 -0.020 0.000 1.131 215 T CB -1.043 67.813 68.868 -0.021 0.000 0.858 215 T HN 0.628 nan 8.240 nan 0.000 0.483 216 S N 0.432 116.125 115.700 -0.012 0.000 2.562 216 S HA 0.411 4.881 4.470 -0.000 0.000 0.221 216 S C 1.833 176.437 174.600 0.007 0.000 0.975 216 S CA 0.314 58.512 58.200 -0.004 0.000 0.918 216 S CB -0.622 62.579 63.200 0.000 0.000 0.772 216 S HN 1.410 nan 8.310 nan 0.000 0.531 217 G N -0.060 108.744 108.800 0.007 0.000 2.149 217 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.235 217 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.235 217 G C 0.474 175.397 174.900 0.038 0.000 1.018 217 G CA 0.010 45.123 45.100 0.022 0.000 0.728 217 G HN 0.574 nan 8.290 nan 0.000 0.508 218 C N 0.091 119.408 119.300 0.028 0.000 2.626 218 C HA 0.576 5.036 4.460 -0.000 0.000 0.266 218 C C 2.417 177.460 174.990 0.089 0.000 1.317 218 C CA 1.032 60.080 59.018 0.050 0.000 1.716 218 C CB -0.504 27.249 27.740 0.022 0.000 1.819 218 C HN 1.028 nan 8.230 nan 0.000 0.578 219 A N -0.077 122.779 122.820 0.060 0.000 2.535 219 A HA 0.294 4.614 4.320 -0.000 0.000 0.273 219 A C 0.575 178.262 177.584 0.171 0.000 1.267 219 A CA -0.266 51.819 52.037 0.080 0.000 0.940 219 A CB -0.143 18.790 19.000 -0.111 0.000 1.101 219 A HN 0.570 nan 8.150 nan 0.000 0.521 220 R N 1.513 122.104 120.500 0.151 0.000 2.537 220 R HA 0.202 4.542 4.340 -0.000 0.000 0.280 220 R C -0.464 175.936 176.300 0.167 0.000 1.058 220 R CA 0.173 56.351 56.100 0.131 0.000 1.057 220 R CB 0.132 30.487 30.300 0.091 0.000 0.973 220 R HN 0.391 nan 8.270 nan 0.000 0.438 221 D N 0.774 121.260 120.400 0.143 0.000 2.772 221 D HA -0.254 4.386 4.640 -0.000 0.000 0.233 221 D C -0.588 175.808 176.300 0.159 0.000 1.143 221 D CA 0.812 54.886 54.000 0.122 0.000 0.700 221 D CB -0.696 40.150 40.800 0.076 0.000 1.076 221 D HN 0.564 nan 8.370 nan 0.000 0.430 222 W N 2.076 123.389 121.300 0.022 0.000 2.210 222 W HA 0.144 4.804 4.660 -0.000 0.000 0.330 222 W C -1.517 175.021 176.519 0.032 0.000 1.334 222 W CA -0.771 56.592 57.345 0.029 0.000 1.227 222 W CB 0.563 30.039 29.460 0.026 0.000 1.178 222 W HN 0.014 nan 8.180 nan 0.000 0.560 223 P HA 0.023 nan 4.420 nan 0.000 0.262 223 P C -0.413 176.635 177.300 -0.419 0.000 1.651 223 P CA -0.173 62.403 63.100 -0.872 0.000 1.119 223 P CB -0.098 31.049 31.700 -0.922 0.000 1.552 224 D N 1.435 121.725 120.400 -0.184 0.000 2.479 224 D HA 0.155 4.795 4.640 -0.000 0.000 0.257 224 D C 1.567 177.809 176.300 -0.096 0.000 1.230 224 D CA 2.261 56.203 54.000 -0.098 0.000 0.912 224 D CB -0.298 40.483 40.800 -0.032 0.000 1.130 224 D HN 0.389 nan 8.370 nan 0.000 0.515 225 G N 3.522 112.280 108.800 -0.071 0.000 2.213 225 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 225 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 225 G C 0.405 175.295 174.900 -0.017 0.000 0.992 225 G CA -0.133 44.948 45.100 -0.032 0.000 0.632 225 G HN 0.588 nan 8.290 nan 0.000 0.511 226 R N 0.564 120.996 120.500 -0.113 0.000 2.404 226 R HA 0.710 5.050 4.340 -0.000 0.000 0.291 226 R C 0.708 177.061 176.300 0.089 0.000 1.025 226 R CA 0.856 56.904 56.100 -0.087 0.000 0.991 226 R CB 1.622 31.638 30.300 -0.473 0.000 1.053 226 R HN 0.873 nan 8.270 nan 0.000 0.479 227 G N 0.672 109.654 108.800 0.303 0.000 2.495 227 G HA2 0.472 4.432 3.960 -0.000 0.000 0.294 227 G HA3 0.472 4.432 3.960 -0.000 0.000 0.294 227 G C -1.764 173.410 174.900 0.457 0.000 1.397 227 G CA -0.607 44.654 45.100 0.268 0.000 0.790 227 G HN 0.501 nan 8.290 nan 0.000 0.486 228 I N -0.313 120.455 120.570 0.330 0.000 2.582 228 I HA 0.659 4.829 4.170 -0.000 0.000 0.292 228 I C -1.708 174.750 176.117 0.568 0.000 1.066 228 I CA -1.226 60.356 61.300 0.471 0.000 1.053 228 I CB 2.079 40.261 38.000 0.302 0.000 1.241 228 I HN 0.715 nan 8.210 nan 0.000 0.421 229 W N 8.481 130.032 121.300 0.418 0.000 2.475 229 W HA 0.550 5.210 4.660 -0.000 0.000 0.317 229 W C -1.180 175.478 176.519 0.230 0.000 1.046 229 W CA -0.087 57.438 57.345 0.299 0.000 1.215 229 W CB 0.720 30.311 29.460 0.218 0.000 1.335 229 W HN 0.623 nan 8.180 nan 0.000 0.471 230 H N 2.631 121.426 119.070 -0.459 0.000 2.980 230 H HA 0.529 5.085 4.556 -0.000 0.000 0.367 230 H C -0.296 174.511 175.328 -0.868 0.000 1.206 230 H CA -1.213 54.519 56.048 -0.528 0.000 1.126 230 H CB 0.712 30.348 29.762 -0.210 0.000 1.838 230 H HN 0.433 nan 8.280 nan 0.000 0.552 231 N N 0.741 119.255 118.700 -0.310 0.000 2.366 231 N HA 0.029 4.769 4.740 -0.000 0.000 0.277 231 N C 0.134 175.666 175.510 0.036 0.000 1.275 231 N CA -0.433 52.518 53.050 -0.164 0.000 0.964 231 N CB 0.140 38.673 38.487 0.076 0.000 1.167 231 N HN 0.723 nan 8.380 nan 0.000 0.568 232 N N -0.030 118.676 118.700 0.009 0.000 2.188 232 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 232 N C 0.831 176.330 175.510 -0.019 0.000 1.018 232 N CA 1.067 54.126 53.050 0.015 0.000 0.858 232 N CB -0.098 38.391 38.487 0.004 0.000 0.989 232 N HN 0.662 nan 8.380 nan 0.000 0.426 233 E N 0.653 120.844 120.200 -0.014 0.000 2.371 233 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 233 E C -0.066 176.469 176.600 -0.109 0.000 1.012 233 E CA 0.077 56.455 56.400 -0.035 0.000 0.860 233 E CB 0.121 29.827 29.700 0.012 0.000 0.811 233 E HN 0.137 nan 8.360 nan 0.000 0.502 234 K N 0.507 120.817 120.400 -0.151 0.000 3.117 234 K HA -0.174 4.146 4.320 -0.000 0.000 0.269 234 K C -0.106 176.426 176.600 -0.113 0.000 1.098 234 K CA 0.713 56.794 56.287 -0.343 0.000 0.785 234 K CB -1.369 30.596 32.500 -0.891 0.000 1.242 234 K HN 0.273 nan 8.250 nan 0.000 0.491 235 N N -0.091 118.647 118.700 0.064 0.000 2.205 235 N HA 0.122 4.862 4.740 -0.000 0.000 0.201 235 N C -0.339 175.345 175.510 0.290 0.000 1.128 235 N CA -0.123 53.025 53.050 0.163 0.000 0.867 235 N CB 0.403 38.974 38.487 0.140 0.000 0.996 235 N HN 0.182 nan 8.380 nan 0.000 0.503 236 F N 0.768 120.790 119.950 0.120 0.000 2.562 236 F HA 0.617 5.144 4.527 -0.000 0.000 0.319 236 F C -1.868 174.108 175.800 0.294 0.000 1.154 236 F CA -1.165 56.956 58.000 0.201 0.000 0.931 236 F CB 1.052 40.182 39.000 0.216 0.000 1.198 236 F HN -0.186 nan 8.300 nan 0.000 0.444 237 L N 5.467 126.561 121.223 -0.215 0.000 2.409 237 L HA 0.821 5.161 4.340 -0.000 0.000 0.255 237 L C -1.232 175.617 176.870 -0.034 0.000 1.027 237 L CA -1.074 53.796 54.840 0.050 0.000 0.834 237 L CB 2.300 44.443 42.059 0.141 0.000 1.426 237 L HN 0.300 nan 8.230 nan 0.000 0.411 238 V N -0.042 120.042 119.914 0.283 0.000 2.488 238 V HA 0.366 4.486 4.120 -0.000 0.000 0.293 238 V C -1.307 175.073 176.094 0.478 0.000 1.027 238 V CA -0.512 61.914 62.300 0.210 0.000 0.862 238 V CB 1.612 33.490 31.823 0.092 0.000 1.008 238 V HN 0.542 nan 8.190 nan 0.000 0.428 239 W N 5.307 126.742 121.300 0.225 0.000 2.311 239 W HA 0.609 5.269 4.660 -0.000 0.000 0.310 239 W C -0.123 176.522 176.519 0.211 0.000 1.274 239 W CA -1.234 56.306 57.345 0.324 0.000 1.215 239 W CB 0.630 30.294 29.460 0.340 0.000 1.227 239 W HN 0.342 nan 8.180 nan 0.000 0.523 240 I N 5.005 125.846 120.570 0.452 0.000 2.378 240 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 240 I C 0.326 176.528 176.117 0.143 0.000 0.992 240 I CA -0.593 60.845 61.300 0.230 0.000 1.154 240 I CB 1.056 39.141 38.000 0.141 0.000 1.315 240 I HN 0.401 nan 8.210 nan 0.000 0.448 241 N N 3.173 121.926 118.700 0.089 0.000 2.741 241 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 241 N C 0.527 176.009 175.510 -0.048 0.000 1.115 241 N CA 0.936 54.015 53.050 0.048 0.000 0.724 241 N CB -0.703 37.797 38.487 0.021 0.000 1.090 241 N HN 0.748 nan 8.380 nan 0.000 0.558 242 E N 0.885 120.981 120.200 -0.173 0.000 3.798 242 E HA 0.024 4.374 4.350 -0.000 0.000 0.565 242 E C 1.241 177.802 176.600 -0.064 0.000 0.242 242 E CA -0.048 56.164 56.400 -0.313 0.000 3.433 242 E CB 0.128 29.344 29.700 -0.807 0.000 2.362 242 E HN 0.330 nan 8.360 nan 0.000 0.333 243 E N -0.087 120.075 120.200 -0.063 0.000 2.118 243 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 243 E C -0.109 176.497 176.600 0.010 0.000 0.992 243 E CA 1.183 57.582 56.400 -0.002 0.000 0.804 243 E CB 0.165 29.876 29.700 0.018 0.000 0.741 243 E HN 0.218 nan 8.360 nan 0.000 0.458 244 D N -2.561 117.857 120.400 0.030 0.000 2.467 244 D HA 0.155 4.795 4.640 -0.000 0.000 0.245 244 D C 0.571 176.917 176.300 0.076 0.000 1.038 244 D CA -0.484 53.518 54.000 0.002 0.000 1.038 244 D CB 0.814 41.624 40.800 0.016 0.000 1.278 244 D HN 0.171 nan 8.370 nan 0.000 0.564 245 H N -0.423 118.654 119.070 0.012 0.000 2.326 245 H HA 0.109 4.665 4.556 -0.000 0.000 0.301 245 H C 0.324 175.655 175.328 0.005 0.000 1.081 245 H CA 0.741 56.786 56.048 -0.004 0.000 1.334 245 H CB 0.501 30.246 29.762 -0.027 0.000 1.385 245 H HN 0.124 nan 8.280 nan 0.000 0.504 246 I N 0.502 121.154 120.570 0.137 0.000 2.582 246 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 246 I C -0.647 175.514 176.117 0.074 0.000 1.066 246 I CA -0.857 60.489 61.300 0.078 0.000 1.053 246 I CB 2.415 40.414 38.000 -0.002 0.000 1.241 246 I HN 0.019 nan 8.210 nan 0.000 0.421 247 R N 4.707 125.268 120.500 0.101 0.000 2.502 247 R HA 0.502 4.842 4.340 -0.000 0.000 0.298 247 R C -1.380 174.879 176.300 -0.069 0.000 1.018 247 R CA -0.735 55.382 56.100 0.029 0.000 0.899 247 R CB 2.298 32.653 30.300 0.092 0.000 1.181 247 R HN 0.330 nan 8.270 nan 0.000 0.444 248 V N 5.628 125.500 119.914 -0.069 0.000 2.439 248 V HA 0.518 4.638 4.120 -0.000 0.000 0.282 248 V C 0.417 176.483 176.094 -0.047 0.000 1.039 248 V CA -0.417 61.825 62.300 -0.096 0.000 0.913 248 V CB 1.517 33.327 31.823 -0.021 0.000 0.983 248 V HN 0.538 nan 8.190 nan 0.000 0.460 249 I N 3.727 124.199 120.570 -0.163 0.000 2.499 249 I HA 0.424 4.594 4.170 -0.000 0.000 0.288 249 I C -0.277 175.876 176.117 0.060 0.000 1.048 249 I CA -0.144 61.104 61.300 -0.087 0.000 1.062 249 I CB 2.160 40.008 38.000 -0.253 0.000 1.238 249 I HN 0.572 nan 8.210 nan 0.000 0.426 250 S N 8.236 124.071 115.700 0.224 0.000 2.473 250 S HA 0.923 5.393 4.470 -0.000 0.000 0.307 250 S C -0.655 174.046 174.600 0.168 0.000 1.094 250 S CA -0.551 57.831 58.200 0.303 0.000 1.070 250 S CB 0.836 64.306 63.200 0.450 0.000 1.019 250 S HN 0.616 nan 8.310 nan 0.000 0.480 251 M N 3.248 122.949 119.600 0.167 0.000 2.534 251 M HA 0.564 5.044 4.480 -0.000 0.000 0.280 251 M C -1.675 174.698 176.300 0.122 0.000 1.217 251 M CA -0.863 54.504 55.300 0.112 0.000 0.893 251 M CB 1.794 34.445 32.600 0.085 0.000 1.730 251 M HN 0.682 nan 8.290 nan 0.000 0.483 252 Q N 0.678 120.523 119.800 0.076 0.000 2.633 252 Q HA 0.608 4.948 4.340 -0.000 0.000 0.289 252 Q C -2.000 174.021 176.000 0.035 0.000 0.940 252 Q CA -1.231 54.617 55.803 0.076 0.000 0.785 252 Q CB 2.500 31.286 28.738 0.080 0.000 1.467 252 Q HN 0.795 nan 8.270 nan 0.000 0.401 253 K N 0.326 120.750 120.400 0.039 0.000 2.154 253 K HA 0.742 5.062 4.320 -0.000 0.000 0.264 253 K C 0.094 176.718 176.600 0.041 0.000 1.008 253 K CA 0.593 56.893 56.287 0.021 0.000 0.937 253 K CB 1.221 33.737 32.500 0.026 0.000 1.002 253 K HN 0.938 nan 8.250 nan 0.000 0.469 254 G N 0.004 108.831 108.800 0.045 0.000 2.396 254 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.254 254 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.254 254 G C 0.142 175.104 174.900 0.104 0.000 1.248 254 G CA -0.502 44.640 45.100 0.070 0.000 1.033 254 G HN 0.702 nan 8.290 nan 0.000 0.502 255 G N -0.861 108.022 108.800 0.138 0.000 3.575 255 G HA2 0.419 4.379 3.960 -0.000 0.000 0.273 255 G HA3 0.419 4.379 3.960 -0.000 0.000 0.273 255 G C 0.045 175.069 174.900 0.206 0.000 1.053 255 G CA 0.883 46.124 45.100 0.236 0.000 0.803 255 G HN 0.588 nan 8.290 nan 0.000 0.528 256 D N 1.306 121.777 120.400 0.119 0.000 2.563 256 D HA 0.171 4.811 4.640 -0.000 0.000 0.222 256 D C 1.531 177.880 176.300 0.082 0.000 1.145 256 D CA -0.315 53.726 54.000 0.067 0.000 1.001 256 D CB 0.487 41.319 40.800 0.054 0.000 1.049 256 D HN 0.081 nan 8.370 nan 0.000 0.515 257 L N 2.407 123.683 121.223 0.089 0.000 2.093 257 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 257 L C 2.292 179.229 176.870 0.112 0.000 1.085 257 L CA 1.015 55.919 54.840 0.106 0.000 0.755 257 L CB 0.091 42.236 42.059 0.143 0.000 0.904 257 L HN 0.235 nan 8.230 nan 0.000 0.435 258 K N -0.363 120.090 120.400 0.089 0.000 2.032 258 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 258 K C 1.984 178.680 176.600 0.160 0.000 1.048 258 K CA 1.641 58.026 56.287 0.164 0.000 0.927 258 K CB -0.151 32.412 32.500 0.104 0.000 0.712 258 K HN 0.388 nan 8.250 nan 0.000 0.441 259 A N 0.123 122.998 122.820 0.093 0.000 2.015 259 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 259 A C 2.108 179.730 177.584 0.062 0.000 1.163 259 A CA 1.247 53.313 52.037 0.050 0.000 0.646 259 A CB -0.242 18.784 19.000 0.044 0.000 0.806 259 A HN 0.156 nan 8.150 nan 0.000 0.448 260 V N -1.390 118.594 119.914 0.116 0.000 2.591 260 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 260 V C 2.158 178.401 176.094 0.248 0.000 1.053 260 V CA 1.447 63.837 62.300 0.150 0.000 1.068 260 V CB -0.799 31.096 31.823 0.119 0.000 0.689 260 V HN 0.605 nan 8.190 nan 0.000 0.462 261 F N 1.145 121.122 119.950 0.045 0.000 2.186 261 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 261 F C 2.679 178.490 175.800 0.019 0.000 1.090 261 F CA 1.449 59.499 58.000 0.084 0.000 1.307 261 F CB -0.700 38.357 39.000 0.095 0.000 1.019 261 F HN 0.186 nan 8.300 nan 0.000 0.489 262 S N 0.137 115.719 115.700 -0.198 0.000 2.356 262 S HA -0.230 4.240 4.470 -0.000 0.000 0.223 262 S C 2.444 176.853 174.600 -0.317 0.000 1.032 262 S CA 1.434 59.196 58.200 -0.731 0.000 1.005 262 S CB -0.474 62.241 63.200 -0.807 0.000 0.867 262 S HN 0.480 nan 8.310 nan 0.000 0.449 263 R N -0.915 119.521 120.500 -0.106 0.000 2.092 263 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 263 R C 2.193 178.503 176.300 0.017 0.000 1.119 263 R CA 1.620 57.691 56.100 -0.049 0.000 0.970 263 R CB -0.583 29.740 30.300 0.038 0.000 0.864 263 R HN 0.555 nan 8.270 nan 0.000 0.440 264 F N 1.081 121.058 119.950 0.046 0.000 2.069 264 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 264 F C 2.105 177.942 175.800 0.061 0.000 1.113 264 F CA 1.833 59.922 58.000 0.148 0.000 1.214 264 F CB -0.614 38.519 39.000 0.222 0.000 0.978 264 F HN 0.085 nan 8.300 nan 0.000 0.474 265 A N 0.461 123.239 122.820 -0.070 0.000 2.019 265 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 265 A C 2.360 179.806 177.584 -0.231 0.000 1.164 265 A CA 1.518 53.431 52.037 -0.208 0.000 0.644 265 A CB -0.690 18.208 19.000 -0.170 0.000 0.805 265 A HN 0.484 nan 8.150 nan 0.000 0.449 266 R N -1.154 119.212 120.500 -0.223 0.000 2.062 266 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 266 R C 2.428 178.541 176.300 -0.312 0.000 1.128 266 R CA 1.210 57.171 56.100 -0.232 0.000 0.960 266 R CB -0.522 29.640 30.300 -0.230 0.000 0.855 266 R HN 0.526 nan 8.270 nan 0.000 0.432 267 G N 0.959 109.492 108.800 -0.445 0.000 2.408 267 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 267 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 267 G C 1.330 176.146 174.900 -0.140 0.000 1.156 267 G CA 0.044 44.764 45.100 -0.634 0.000 0.793 267 G HN 0.135 nan 8.290 nan 0.000 0.535 268 L N 0.658 121.723 121.223 -0.264 0.000 2.017 268 L HA 0.090 4.430 4.340 -0.000 0.000 0.208 268 L C 2.691 179.438 176.870 -0.205 0.000 1.073 268 L CA 1.466 56.115 54.840 -0.318 0.000 0.745 268 L CB -0.589 41.045 42.059 -0.707 0.000 0.894 268 L HN 0.190 nan 8.230 nan 0.000 0.432 269 L N -0.739 120.364 121.223 -0.201 0.000 2.083 269 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 269 L C 2.652 179.455 176.870 -0.112 0.000 1.083 269 L CA 0.989 55.750 54.840 -0.132 0.000 0.752 269 L CB -0.661 41.327 42.059 -0.117 0.000 0.899 269 L HN 0.313 nan 8.230 nan 0.000 0.433 270 E N -0.138 119.984 120.200 -0.129 0.000 2.047 270 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 270 E C 2.381 178.927 176.600 -0.091 0.000 0.987 270 E CA 1.131 57.467 56.400 -0.108 0.000 0.799 270 E CB -0.310 29.311 29.700 -0.132 0.000 0.752 270 E HN 0.267 nan 8.360 nan 0.000 0.449 271 V N 1.869 121.734 119.914 -0.081 0.000 2.295 271 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 271 V C 2.244 178.279 176.094 -0.098 0.000 1.049 271 V CA 1.838 64.082 62.300 -0.094 0.000 1.024 271 V CB -0.480 31.295 31.823 -0.079 0.000 0.648 271 V HN 0.261 nan 8.190 nan 0.000 0.447 272 E N 0.032 120.173 120.200 -0.098 0.000 2.058 272 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 272 E C 2.432 178.999 176.600 -0.054 0.000 0.997 272 E CA 1.537 57.887 56.400 -0.083 0.000 0.801 272 E CB -0.298 29.355 29.700 -0.079 0.000 0.746 272 E HN 0.514 nan 8.360 nan 0.000 0.450 273 R N 1.209 121.675 120.500 -0.057 0.000 2.083 273 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 273 R C 2.241 178.516 176.300 -0.041 0.000 1.137 273 R CA 1.300 57.372 56.100 -0.046 0.000 0.951 273 R CB -0.309 29.961 30.300 -0.050 0.000 0.851 273 R HN 0.166 nan 8.270 nan 0.000 0.434 274 L N 0.269 121.461 121.223 -0.051 0.000 2.376 274 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 274 L C 2.474 179.331 176.870 -0.022 0.000 1.133 274 L CA 0.282 55.095 54.840 -0.046 0.000 0.816 274 L CB -0.118 41.898 42.059 -0.071 0.000 0.933 274 L HN 0.289 nan 8.230 nan 0.000 0.449 275 M N -0.568 119.020 119.600 -0.020 0.000 2.248 275 M HA -0.123 4.357 4.480 -0.000 0.000 0.265 275 M C 2.206 178.548 176.300 0.070 0.000 1.079 275 M CA 1.536 56.856 55.300 0.034 0.000 1.150 275 M CB -0.505 32.086 32.600 -0.014 0.000 1.366 275 M HN 0.071 nan 8.290 nan 0.000 0.433 276 K N 0.170 120.577 120.400 0.012 0.000 2.025 276 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 276 K C 1.844 178.424 176.600 -0.034 0.000 1.049 276 K CA 1.324 57.606 56.287 -0.008 0.000 0.933 276 K CB -0.067 32.422 32.500 -0.017 0.000 0.714 276 K HN 0.268 nan 8.250 nan 0.000 0.438 277 E N -0.371 119.811 120.200 -0.030 0.000 2.273 277 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 277 E C 0.819 177.381 176.600 -0.064 0.000 1.002 277 E CA 0.912 57.287 56.400 -0.041 0.000 0.828 277 E CB 0.070 29.752 29.700 -0.031 0.000 0.747 277 E HN 0.352 nan 8.360 nan 0.000 0.491 278 C N -0.261 118.998 119.300 -0.067 0.000 2.754 278 C HA 0.341 4.801 4.460 -0.000 0.000 0.276 278 C C 1.445 176.109 174.990 -0.543 0.000 1.264 278 C CA 0.303 59.218 59.018 -0.171 0.000 1.700 278 C CB -0.552 27.246 27.740 0.098 0.000 1.885 278 C HN 0.689 nan 8.230 nan 0.000 0.607 279 G N 0.606 109.199 108.800 -0.344 0.000 2.179 279 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 279 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 279 G C -0.288 174.419 174.900 -0.322 0.000 0.977 279 G CA 0.076 44.986 45.100 -0.318 0.000 0.641 279 G HN 0.730 nan 8.290 nan 0.000 0.533 280 H N 0.677 119.728 119.070 -0.032 0.000 2.705 280 H HA 0.516 5.072 4.556 -0.000 0.000 0.291 280 H C 1.151 176.468 175.328 -0.019 0.000 1.085 280 H CA 0.122 56.152 56.048 -0.030 0.000 1.357 280 H CB 1.070 30.804 29.762 -0.046 0.000 1.419 280 H HN 0.430 nan 8.280 nan 0.000 0.462 281 G N 2.952 111.801 108.800 0.082 0.000 2.491 281 G HA2 0.297 4.257 3.960 -0.000 0.000 0.242 281 G HA3 0.297 4.257 3.960 -0.000 0.000 0.242 281 G C -0.389 174.561 174.900 0.083 0.000 1.266 281 G CA -0.609 44.529 45.100 0.062 0.000 0.844 281 G HN 0.509 nan 8.290 nan 0.000 0.571 282 L N 1.924 123.206 121.223 0.098 0.000 2.307 282 L HA 0.327 4.667 4.340 -0.000 0.000 0.284 282 L C 0.719 177.689 176.870 0.167 0.000 1.023 282 L CA -0.679 54.234 54.840 0.123 0.000 0.810 282 L CB 1.851 43.979 42.059 0.117 0.000 1.231 282 L HN 0.423 nan 8.230 nan 0.000 0.423 283 M N 3.444 123.110 119.600 0.110 0.000 2.338 283 M HA 0.003 4.483 4.480 -0.000 0.000 0.360 283 M C -0.462 175.918 176.300 0.133 0.000 1.547 283 M CA 0.915 56.246 55.300 0.052 0.000 1.001 283 M CB -0.459 32.113 32.600 -0.046 0.000 2.008 283 M HN 0.500 nan 8.290 nan 0.000 0.464 284 H N 2.170 121.190 119.070 -0.084 0.000 3.026 284 H HA 0.455 5.011 4.556 -0.000 0.000 0.352 284 H C -1.652 173.547 175.328 -0.215 0.000 1.090 284 H CA -0.767 55.155 56.048 -0.210 0.000 1.268 284 H CB 1.296 30.866 29.762 -0.321 0.000 1.816 284 H HN 0.699 nan 8.280 nan 0.000 0.518 285 N N 2.589 120.805 118.700 -0.807 0.000 2.370 285 N HA 0.154 4.894 4.740 -0.000 0.000 0.303 285 N C 0.275 175.418 175.510 -0.613 0.000 1.103 285 N CA -0.419 52.313 53.050 -0.530 0.000 0.848 285 N CB 1.920 40.141 38.487 -0.444 0.000 1.235 285 N HN 0.751 nan 8.380 nan 0.000 0.496 286 D N 0.722 120.985 120.400 -0.228 0.000 2.084 286 D HA -0.016 4.624 4.640 -0.000 0.000 0.194 286 D C 1.506 177.760 176.300 -0.076 0.000 0.990 286 D CA 1.484 55.435 54.000 -0.081 0.000 0.826 286 D CB 0.308 41.110 40.800 0.003 0.000 0.971 286 D HN 0.439 nan 8.370 nan 0.000 0.453 287 R N -0.719 119.744 120.500 -0.061 0.000 2.115 287 R HA 0.108 4.448 4.340 -0.000 0.000 0.226 287 R C 1.489 177.740 176.300 -0.082 0.000 1.100 287 R CA 0.626 56.742 56.100 0.026 0.000 0.980 287 R CB 0.125 30.478 30.300 0.089 0.000 0.875 287 R HN 0.268 nan 8.270 nan 0.000 0.445 288 L N -0.454 120.577 121.223 -0.320 0.000 2.728 288 L HA 0.271 4.611 4.340 -0.000 0.000 0.238 288 L C 1.069 177.514 176.870 -0.710 0.000 1.143 288 L CA -0.014 54.490 54.840 -0.559 0.000 0.937 288 L CB 0.334 42.028 42.059 -0.609 0.000 1.225 288 L HN 0.334 nan 8.230 nan 0.000 0.507 289 G N 0.444 108.834 108.800 -0.683 0.000 2.594 289 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.297 289 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.297 289 G C -0.372 174.052 174.900 -0.793 0.000 1.273 289 G CA 0.003 44.642 45.100 -0.769 0.000 0.974 289 G HN 0.128 nan 8.290 nan 0.000 0.552 290 Y N 0.030 120.147 120.300 -0.305 0.000 2.346 290 Y HA 0.601 5.151 4.550 -0.000 0.000 0.330 290 Y C 1.233 176.949 175.900 -0.307 0.000 1.178 290 Y CA 0.025 58.012 58.100 -0.189 0.000 1.331 290 Y CB 0.711 39.139 38.460 -0.053 0.000 1.253 290 Y HN 0.477 nan 8.280 nan 0.000 0.529 291 I N 2.472 122.977 120.570 -0.108 0.000 2.569 291 I HA 0.449 4.619 4.170 -0.000 0.000 0.296 291 I C -0.678 175.313 176.117 -0.210 0.000 1.028 291 I CA -0.219 60.907 61.300 -0.290 0.000 1.082 291 I CB 1.364 39.083 38.000 -0.468 0.000 1.264 291 I HN 0.627 nan 8.210 nan 0.000 0.429 292 C N 1.685 120.858 119.300 -0.212 0.000 3.301 292 C HA 0.315 4.775 4.460 -0.000 0.000 0.367 292 C C 1.928 176.901 174.990 -0.030 0.000 1.980 292 C CA -0.266 58.678 59.018 -0.122 0.000 1.349 292 C CB 1.574 29.269 27.740 -0.074 0.000 2.412 292 C HN 0.830 nan 8.230 nan 0.000 0.451 293 T N 0.079 114.635 114.554 0.002 0.000 2.635 293 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 293 T C 0.573 175.376 174.700 0.172 0.000 1.040 293 T CA 1.769 63.915 62.100 0.076 0.000 1.156 293 T CB -0.158 68.723 68.868 0.022 0.000 0.863 293 T HN 0.799 nan 8.240 nan 0.000 0.430 294 C N 2.188 121.559 119.300 0.118 0.000 2.329 294 C HA 0.469 4.929 4.460 -0.000 0.000 0.329 294 C C -1.459 173.615 174.990 0.140 0.000 1.275 294 C CA -2.398 56.680 59.018 0.100 0.000 1.726 294 C CB 1.157 28.916 27.740 0.032 0.000 2.291 294 C HN 0.234 nan 8.230 nan 0.000 0.514 295 P HA -0.231 nan 4.420 nan 0.000 0.222 295 P C 1.728 179.108 177.300 0.132 0.000 1.157 295 P CA 3.521 66.735 63.100 0.190 0.000 0.905 295 P CB -0.160 31.598 31.700 0.097 0.000 0.792 296 T N -4.610 109.944 114.554 -0.000 0.000 2.849 296 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 296 T C 0.950 175.652 174.700 0.005 0.000 1.066 296 T CA 1.088 63.112 62.100 -0.126 0.000 1.130 296 T CB -0.865 67.787 68.868 -0.359 0.000 0.864 296 T HN 0.014 nan 8.240 nan 0.000 0.481 297 N N 1.604 120.303 118.700 -0.001 0.000 3.234 297 N HA 0.471 5.211 4.740 -0.000 0.000 0.272 297 N C -0.660 174.803 175.510 -0.079 0.000 1.254 297 N CA 0.055 53.085 53.050 -0.033 0.000 1.087 297 N CB 0.372 38.840 38.487 -0.030 0.000 1.356 297 N HN 0.556 nan 8.380 nan 0.000 0.511 298 M N -1.550 117.960 119.600 -0.149 0.000 2.788 298 M HA 0.456 4.936 4.480 -0.000 0.000 0.291 298 M C 1.236 177.283 176.300 -0.421 0.000 1.213 298 M CA -0.710 54.403 55.300 -0.312 0.000 0.768 298 M CB 1.668 34.030 32.600 -0.397 0.000 1.766 298 M HN 0.396 nan 8.290 nan 0.000 0.460 299 G N 0.819 109.250 108.800 -0.615 0.000 2.686 299 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.329 299 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.329 299 G C 0.806 175.454 174.900 -0.421 0.000 1.187 299 G CA 1.628 46.162 45.100 -0.943 0.000 0.965 299 G HN 0.932 nan 8.290 nan 0.000 0.549 300 T N -1.166 113.301 114.554 -0.146 0.000 3.023 300 T HA 0.247 4.597 4.350 -0.000 0.000 0.266 300 T C 1.794 176.542 174.700 0.080 0.000 1.093 300 T CA 1.926 64.100 62.100 0.123 0.000 1.129 300 T CB -0.187 68.789 68.868 0.180 0.000 0.899 300 T HN 2.077 nan 8.240 nan 0.000 0.491 301 V N -0.196 119.705 119.914 -0.023 0.000 3.292 301 V HA -0.184 3.936 4.120 -0.000 0.000 0.184 301 V C 0.619 176.709 176.094 -0.007 0.000 0.459 301 V CA 0.757 63.041 62.300 -0.025 0.000 1.088 301 V CB -2.939 28.873 31.823 -0.019 0.000 1.239 301 V HN 0.569 nan 8.190 nan 0.000 1.148 302 V N 0.603 120.518 119.914 0.001 0.000 2.498 302 V HA 0.404 4.524 4.120 -0.000 0.000 0.279 302 V C 0.699 176.737 176.094 -0.093 0.000 1.048 302 V CA -0.074 62.194 62.300 -0.054 0.000 0.967 302 V CB 1.582 33.369 31.823 -0.060 0.000 0.988 302 V HN 0.536 nan 8.190 nan 0.000 0.473 303 R N 3.878 124.300 120.500 -0.130 0.000 2.352 303 R HA 0.622 4.962 4.340 -0.000 0.000 0.304 303 R C -0.310 175.904 176.300 -0.143 0.000 1.104 303 R CA -0.367 55.666 56.100 -0.111 0.000 0.991 303 R CB 0.882 31.134 30.300 -0.080 0.000 1.140 303 R HN 0.832 nan 8.270 nan 0.000 0.540 304 A N 2.753 125.484 122.820 -0.148 0.000 2.309 304 A HA 0.478 4.798 4.320 -0.000 0.000 0.290 304 A C -0.343 177.197 177.584 -0.073 0.000 1.206 304 A CA -0.326 51.620 52.037 -0.152 0.000 0.850 304 A CB 0.626 19.507 19.000 -0.198 0.000 1.118 304 A HN 0.775 nan 8.150 nan 0.000 0.523 305 S N 0.783 116.451 115.700 -0.053 0.000 2.667 305 S HA 0.850 5.320 4.470 -0.000 0.000 0.292 305 S C -0.502 174.100 174.600 0.004 0.000 1.126 305 S CA -0.131 58.067 58.200 -0.005 0.000 0.881 305 S CB 1.409 64.622 63.200 0.023 0.000 1.132 305 S HN 1.938 nan 8.310 nan 0.000 0.492 306 V N -1.767 118.170 119.914 0.038 0.000 2.971 306 V HA 0.568 4.688 4.120 -0.000 0.000 0.309 306 V C -1.133 175.057 176.094 0.160 0.000 1.130 306 V CA -0.839 61.487 62.300 0.043 0.000 0.964 306 V CB 1.354 33.160 31.823 -0.027 0.000 1.029 306 V HN 1.083 nan 8.190 nan 0.000 0.427 307 H N 3.870 122.921 119.070 -0.031 0.000 2.846 307 H HA 0.486 5.042 4.556 -0.000 0.000 0.278 307 H C -0.758 174.577 175.328 0.012 0.000 1.117 307 H CA -0.389 55.648 56.048 -0.018 0.000 1.406 307 H CB 1.388 31.108 29.762 -0.070 0.000 1.445 307 H HN 0.529 nan 8.280 nan 0.000 0.469 308 L N 5.110 126.411 121.223 0.129 0.000 2.316 308 L HA 0.318 4.658 4.340 -0.000 0.000 0.280 308 L C -0.114 176.850 176.870 0.157 0.000 1.006 308 L CA -0.768 54.138 54.840 0.110 0.000 0.836 308 L CB 0.987 43.077 42.059 0.051 0.000 1.221 308 L HN 0.520 nan 8.230 nan 0.000 0.418 309 R N 5.264 125.849 120.500 0.142 0.000 2.347 309 R HA 0.415 4.755 4.340 -0.000 0.000 0.304 309 R C -1.149 175.263 176.300 0.187 0.000 1.072 309 R CA -0.112 56.068 56.100 0.132 0.000 0.980 309 R CB 0.405 30.736 30.300 0.052 0.000 0.986 309 R HN 0.667 nan 8.270 nan 0.000 0.448 310 L N 5.377 126.692 121.223 0.152 0.000 2.502 310 L HA 0.331 4.671 4.340 -0.000 0.000 0.249 310 L C 0.808 177.700 176.870 0.036 0.000 1.446 310 L CA -0.382 54.516 54.840 0.096 0.000 0.887 310 L CB 1.496 43.504 42.059 -0.084 0.000 1.126 310 L HN 0.810 nan 8.230 nan 0.000 0.509 311 A N 0.508 123.364 122.820 0.059 0.000 1.972 311 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 311 A C 1.692 179.138 177.584 -0.232 0.000 1.169 311 A CA 1.695 53.669 52.037 -0.104 0.000 0.635 311 A CB -0.277 18.610 19.000 -0.188 0.000 0.810 311 A HN 0.531 nan 8.150 nan 0.000 0.446 312 F N -1.351 118.584 119.950 -0.026 0.000 2.374 312 F HA 0.205 4.732 4.527 -0.000 0.000 0.291 312 F C 1.891 177.640 175.800 -0.085 0.000 1.084 312 F CA 0.518 58.499 58.000 -0.033 0.000 1.413 312 F CB -0.088 38.911 39.000 -0.002 0.000 1.099 312 F HN 0.122 nan 8.300 nan 0.000 0.534 313 L N 0.765 121.988 121.223 -0.000 0.000 2.418 313 L HA -0.062 4.278 4.340 -0.000 0.000 0.218 313 L C 2.238 178.784 176.870 -0.540 0.000 1.125 313 L CA 0.899 55.612 54.840 -0.211 0.000 0.835 313 L CB -0.339 41.552 42.059 -0.280 0.000 0.953 313 L HN 0.294 nan 8.230 nan 0.000 0.454 314 E N -0.313 119.578 120.200 -0.514 0.000 2.427 314 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 314 E C 1.216 177.709 176.600 -0.179 0.000 1.028 314 E CA 0.567 56.615 56.400 -0.585 0.000 0.864 314 E CB 0.201 29.746 29.700 -0.259 0.000 0.813 314 E HN 0.239 nan 8.360 nan 0.000 0.514 315 K N 0.346 120.688 120.400 -0.096 0.000 2.374 315 K HA 0.108 4.428 4.320 -0.000 0.000 0.196 315 K C 0.156 176.774 176.600 0.030 0.000 1.023 315 K CA 0.026 56.305 56.287 -0.014 0.000 1.103 315 K CB 0.244 32.729 32.500 -0.026 0.000 0.848 315 K HN 0.174 nan 8.250 nan 0.000 0.528 316 H N 1.770 120.815 119.070 -0.041 0.000 2.620 316 H HA 0.101 4.657 4.556 -0.000 0.000 0.313 316 H C -1.803 173.559 175.328 0.057 0.000 1.075 316 H CA -2.054 53.998 56.048 0.008 0.000 1.397 316 H CB 1.462 31.223 29.762 -0.001 0.000 1.446 316 H HN -0.080 nan 8.280 nan 0.000 0.493 317 P HA -0.067 nan 4.420 nan 0.000 0.225 317 P C 0.515 177.932 177.300 0.195 0.000 1.148 317 P CA 0.900 64.030 63.100 0.049 0.000 0.779 317 P CB 0.329 31.984 31.700 -0.075 0.000 0.780 318 R N -1.850 118.931 120.500 0.468 0.000 2.466 318 R HA 0.148 4.488 4.340 -0.000 0.000 0.279 318 R C 1.575 177.993 176.300 0.197 0.000 0.976 318 R CA -0.401 55.867 56.100 0.281 0.000 1.081 318 R CB -0.511 29.956 30.300 0.278 0.000 1.215 318 R HN 0.083 nan 8.270 nan 0.000 0.546 319 F N 2.474 122.456 119.950 0.053 0.000 2.026 319 F HA -0.209 4.318 4.527 -0.000 0.000 0.296 319 F C 1.508 177.240 175.800 -0.114 0.000 1.133 319 F CA 1.667 59.625 58.000 -0.071 0.000 1.188 319 F CB -0.151 38.798 39.000 -0.084 0.000 0.968 319 F HN -0.038 nan 8.300 nan 0.000 0.476 320 D N 0.146 120.313 120.400 -0.387 0.000 2.178 320 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 320 D C 2.195 178.325 176.300 -0.284 0.000 0.980 320 D CA 1.282 54.981 54.000 -0.501 0.000 0.842 320 D CB -0.454 40.146 40.800 -0.333 0.000 0.948 320 D HN 0.588 nan 8.370 nan 0.000 0.472 321 E N 0.342 120.453 120.200 -0.148 0.000 2.058 321 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 321 E C 2.111 178.645 176.600 -0.110 0.000 0.997 321 E CA 0.870 57.211 56.400 -0.098 0.000 0.801 321 E CB -0.094 29.587 29.700 -0.033 0.000 0.746 321 E HN 0.156 nan 8.360 nan 0.000 0.450 322 M N 0.401 119.941 119.600 -0.100 0.000 2.086 322 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 322 M C 2.158 178.383 176.300 -0.125 0.000 1.067 322 M CA 1.360 56.608 55.300 -0.087 0.000 1.116 322 M CB -0.045 32.523 32.600 -0.053 0.000 1.348 322 M HN 0.204 nan 8.290 nan 0.000 0.407 323 L N -0.461 120.638 121.223 -0.205 0.000 2.043 323 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 323 L C 2.573 179.321 176.870 -0.203 0.000 1.075 323 L CA 1.542 56.244 54.840 -0.230 0.000 0.752 323 L CB -1.634 40.200 42.059 -0.376 0.000 0.891 323 L HN 0.528 nan 8.230 nan 0.000 0.432 324 G N -0.118 108.552 108.800 -0.217 0.000 2.421 324 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 324 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 324 G C 1.719 176.527 174.900 -0.155 0.000 1.171 324 G CA 0.616 45.583 45.100 -0.221 0.000 0.775 324 G HN 0.306 nan 8.290 nan 0.000 0.543 325 K N -0.177 120.160 120.400 -0.105 0.000 2.097 325 K HA 0.154 4.474 4.320 -0.000 0.000 0.205 325 K C 2.335 178.910 176.600 -0.042 0.000 1.050 325 K CA 0.496 56.748 56.287 -0.058 0.000 0.938 325 K CB -0.226 32.248 32.500 -0.044 0.000 0.718 325 K HN 0.241 nan 8.250 nan 0.000 0.442 326 L N 0.660 121.850 121.223 -0.055 0.000 2.551 326 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 326 L C 0.031 176.889 176.870 -0.021 0.000 1.153 326 L CA 0.184 55.004 54.840 -0.032 0.000 0.851 326 L CB -0.259 41.777 42.059 -0.039 0.000 0.959 326 L HN 0.216 nan 8.230 nan 0.000 0.451 327 R N 0.122 120.589 120.500 -0.055 0.000 3.531 327 R HA -0.136 4.204 4.340 -0.000 0.000 0.280 327 R C -0.528 175.793 176.300 0.035 0.000 1.130 327 R CA 0.613 56.687 56.100 -0.043 0.000 0.757 327 R CB -2.569 27.744 30.300 0.022 0.000 1.218 327 R HN 0.342 nan 8.270 nan 0.000 0.454 328 L N -0.759 120.455 121.223 -0.015 0.000 2.352 328 L HA 0.681 5.021 4.340 -0.000 0.000 0.269 328 L C 1.433 178.345 176.870 0.070 0.000 1.034 328 L CA -0.549 54.316 54.840 0.042 0.000 0.806 328 L CB 1.552 43.602 42.059 -0.015 0.000 1.244 328 L HN 0.166 nan 8.230 nan 0.000 0.447 329 G N 0.472 109.376 108.800 0.173 0.000 2.437 329 G HA2 0.441 4.401 3.960 -0.000 0.000 0.319 329 G HA3 0.441 4.401 3.960 -0.000 0.000 0.319 329 G C -1.204 173.755 174.900 0.097 0.000 1.158 329 G CA -0.385 44.860 45.100 0.242 0.000 0.899 329 G HN 0.512 nan 8.290 nan 0.000 0.502 330 K N 0.522 120.980 120.400 0.096 0.000 2.324 330 K HA 0.649 4.969 4.320 -0.000 0.000 0.253 330 K C -0.457 176.290 176.600 0.244 0.000 0.932 330 K CA -0.681 55.634 56.287 0.047 0.000 0.799 330 K CB 1.504 33.889 32.500 -0.193 0.000 1.154 330 K HN 0.598 nan 8.250 nan 0.000 0.425 331 R N 0.819 121.510 120.500 0.318 0.000 2.716 331 R HA 0.333 4.673 4.340 -0.000 0.000 0.271 331 R C -0.362 176.170 176.300 0.386 0.000 1.028 331 R CA -0.951 55.388 56.100 0.398 0.000 0.883 331 R CB 1.576 32.003 30.300 0.211 0.000 1.250 331 R HN 0.797 nan 8.270 nan 0.000 0.465 332 G N -0.452 108.490 108.800 0.237 0.000 2.553 332 G HA2 0.135 4.095 3.960 -0.000 0.000 0.278 332 G HA3 0.135 4.095 3.960 -0.000 0.000 0.278 332 G C 0.515 175.391 174.900 -0.040 0.000 1.349 332 G CA -0.222 44.931 45.100 0.088 0.000 1.037 332 G HN 0.491 nan 8.290 nan 0.000 0.508 333 T N -0.212 114.273 114.554 -0.114 0.000 2.896 333 T HA 0.047 4.397 4.350 -0.000 0.000 0.263 333 T C 1.850 176.597 174.700 0.079 0.000 1.050 333 T CA 1.252 63.245 62.100 -0.178 0.000 1.140 333 T CB -0.034 68.751 68.868 -0.138 0.000 0.877 333 T HN 0.591 nan 8.240 nan 0.000 0.457 334 G N 0.508 109.348 108.800 0.068 0.000 3.949 334 G HA2 0.527 4.487 3.960 -0.000 0.000 0.295 334 G HA3 0.527 4.487 3.960 -0.000 0.000 0.295 334 G C 0.604 175.544 174.900 0.068 0.000 1.286 334 G CA 0.032 45.198 45.100 0.111 0.000 1.171 334 G HN 0.712 nan 8.290 nan 0.000 0.586 335 G N 0.031 108.887 108.800 0.093 0.000 2.587 335 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.212 335 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.212 335 G C 0.596 175.483 174.900 -0.021 0.000 1.327 335 G CA 0.196 45.343 45.100 0.077 0.000 0.898 335 G HN 0.279 nan 8.290 nan 0.000 0.551 336 E N -0.007 120.182 120.200 -0.018 0.000 2.035 336 E HA -0.144 4.206 4.350 -0.000 0.000 0.204 336 E C 2.224 178.633 176.600 -0.320 0.000 1.025 336 E CA 1.983 58.343 56.400 -0.067 0.000 0.835 336 E CB -0.300 29.387 29.700 -0.022 0.000 0.764 336 E HN 0.946 nan 8.360 nan 0.000 0.457 337 S N 0.435 115.842 115.700 -0.487 0.000 4.183 337 S HA 0.224 4.694 4.470 -0.000 0.000 0.195 337 S C -0.378 173.387 174.600 -1.391 0.000 1.421 337 S CA -0.093 57.375 58.200 -1.220 0.000 0.920 337 S CB -0.032 62.776 63.200 -0.653 0.000 1.525 337 S HN 0.270 nan 8.310 nan 0.000 0.447 338 S N 1.135 116.150 115.700 -1.142 0.000 2.636 338 S HA 0.705 5.175 4.470 -0.000 0.000 0.268 338 S C -1.034 173.445 174.600 -0.203 0.000 1.159 338 S CA -1.169 56.745 58.200 -0.476 0.000 0.815 338 S CB 0.616 63.678 63.200 -0.230 0.000 1.130 338 S HN 0.409 nan 8.310 nan 0.000 0.471 339 L N 1.067 122.259 121.223 -0.053 0.000 2.313 339 L HA 0.817 5.157 4.340 -0.000 0.000 0.268 339 L C 0.706 177.579 176.870 0.005 0.000 1.010 339 L CA -1.192 53.625 54.840 -0.039 0.000 0.814 339 L CB 1.500 43.566 42.059 0.012 0.000 1.304 339 L HN 1.031 nan 8.230 nan 0.000 0.441 340 A N 0.765 123.618 122.820 0.056 0.000 2.511 340 A HA 0.440 4.760 4.320 -0.000 0.000 0.242 340 A C 0.156 177.607 177.584 -0.223 0.000 1.069 340 A CA 0.011 51.854 52.037 -0.324 0.000 0.763 340 A CB -0.228 18.085 19.000 -1.145 0.000 1.001 340 A HN 0.698 nan 8.150 nan 0.000 0.498 341 T N -0.367 114.052 114.554 -0.224 0.000 2.856 341 T HA 0.536 4.886 4.350 -0.000 0.000 0.283 341 T C -0.277 174.345 174.700 -0.130 0.000 1.008 341 T CA -0.188 61.834 62.100 -0.131 0.000 0.997 341 T CB 1.434 70.254 68.868 -0.080 0.000 0.992 341 T HN 0.723 nan 8.240 nan 0.000 0.454 342 D N 1.362 121.714 120.400 -0.080 0.000 2.699 342 D HA -0.203 4.437 4.640 -0.000 0.000 0.239 342 D C 0.368 176.637 176.300 -0.052 0.000 1.136 342 D CA 1.255 55.221 54.000 -0.056 0.000 0.668 342 D CB -1.632 39.142 40.800 -0.044 0.000 1.060 342 D HN 0.955 nan 8.370 nan 0.000 0.429 343 S N -1.778 113.896 115.700 -0.043 0.000 3.521 343 S HA -0.233 4.237 4.470 -0.000 0.000 0.328 343 S C 0.380 175.031 174.600 0.086 0.000 1.165 343 S CA 1.377 59.609 58.200 0.054 0.000 0.941 343 S CB -1.200 62.020 63.200 0.032 0.000 0.951 343 S HN 0.531 nan 8.310 nan 0.000 0.539 344 T N 1.327 115.804 114.554 -0.130 0.000 2.807 344 T HA 0.648 4.998 4.350 -0.000 0.000 0.279 344 T C -0.695 173.789 174.700 -0.359 0.000 0.993 344 T CA -0.290 61.749 62.100 -0.102 0.000 0.970 344 T CB 0.828 69.624 68.868 -0.121 0.000 0.950 344 T HN 0.202 nan 8.240 nan 0.000 0.441 345 Y N 0.911 121.181 120.300 -0.049 0.000 2.499 345 Y HA 0.398 4.948 4.550 -0.000 0.000 0.347 345 Y C 0.132 175.995 175.900 -0.063 0.000 0.987 345 Y CA -1.521 56.561 58.100 -0.030 0.000 1.044 345 Y CB 1.260 39.753 38.460 0.056 0.000 1.245 345 Y HN 0.503 nan 8.280 nan 0.000 0.461 346 D N 3.471 123.920 120.400 0.083 0.000 2.393 346 D HA 0.189 4.829 4.640 -0.000 0.000 0.232 346 D C -0.898 175.498 176.300 0.160 0.000 1.192 346 D CA 0.105 54.189 54.000 0.141 0.000 0.882 346 D CB 0.221 41.102 40.800 0.134 0.000 1.038 346 D HN 0.339 nan 8.370 nan 0.000 0.499 347 I N 3.183 123.832 120.570 0.132 0.000 2.378 347 I HA 0.267 4.436 4.170 -0.000 0.000 0.291 347 I C 0.409 176.559 176.117 0.054 0.000 0.992 347 I CA -0.599 60.750 61.300 0.081 0.000 1.154 347 I CB 0.976 39.003 38.000 0.046 0.000 1.315 347 I HN 0.354 nan 8.210 nan 0.000 0.448 348 S N 4.964 120.699 115.700 0.059 0.000 2.685 348 S HA 0.491 4.961 4.470 -0.000 0.000 0.282 348 S C -0.717 173.919 174.600 0.060 0.000 1.159 348 S CA -1.081 57.145 58.200 0.043 0.000 0.833 348 S CB 2.060 65.283 63.200 0.038 0.000 1.151 348 S HN 0.640 nan 8.310 nan 0.000 0.485 349 N N 1.208 119.932 118.700 0.039 0.000 2.497 349 N HA -0.051 4.689 4.740 -0.000 0.000 0.268 349 N C 0.581 176.162 175.510 0.119 0.000 1.171 349 N CA -0.574 52.518 53.050 0.071 0.000 0.948 349 N CB 0.594 39.099 38.487 0.029 0.000 1.069 349 N HN 0.950 nan 8.380 nan 0.000 0.460 350 W N 2.915 124.199 121.300 -0.027 0.000 2.408 350 W HA 0.078 4.738 4.660 -0.000 0.000 0.311 350 W C -0.066 176.443 176.519 -0.017 0.000 1.190 350 W CA 1.019 58.342 57.345 -0.038 0.000 1.321 350 W CB -0.005 29.413 29.460 -0.071 0.000 1.143 350 W HN 0.599 nan 8.180 nan 0.000 0.501 351 A N 1.270 124.183 122.820 0.155 0.000 2.322 351 A HA 0.407 4.727 4.320 -0.000 0.000 0.269 351 A C 0.723 178.404 177.584 0.162 0.000 1.094 351 A CA -0.182 51.969 52.037 0.191 0.000 0.807 351 A CB 0.688 19.854 19.000 0.277 0.000 1.047 351 A HN 0.430 nan 8.150 nan 0.000 0.487 352 R N 0.796 121.419 120.500 0.205 0.000 2.635 352 R HA 0.270 4.610 4.340 -0.000 0.000 0.241 352 R C -0.281 175.891 176.300 -0.214 0.000 0.941 352 R CA -0.382 55.709 56.100 -0.014 0.000 1.014 352 R CB 0.318 30.606 30.300 -0.020 0.000 1.517 352 R HN 0.556 nan 8.270 nan 0.000 0.594 353 L N 1.521 122.352 121.223 -0.652 0.000 2.289 353 L HA 0.409 4.749 4.340 -0.000 0.000 0.285 353 L C 0.236 176.984 176.870 -0.203 0.000 1.049 353 L CA 0.558 54.979 54.840 -0.698 0.000 0.804 353 L CB 1.475 42.787 42.059 -1.244 0.000 1.195 353 L HN 0.585 nan 8.230 nan 0.000 0.428 354 G N 3.568 112.453 108.800 0.142 0.000 2.144 354 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 354 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 354 G C -0.060 174.987 174.900 0.245 0.000 0.988 354 G CA -0.039 45.322 45.100 0.436 0.000 0.659 354 G HN 0.587 nan 8.290 nan 0.000 0.522 355 K N -0.245 120.255 120.400 0.166 0.000 2.575 355 K HA 0.584 4.904 4.320 -0.000 0.000 0.279 355 K C 0.125 176.766 176.600 0.068 0.000 0.969 355 K CA -0.231 56.111 56.287 0.091 0.000 0.868 355 K CB 1.721 34.285 32.500 0.106 0.000 1.457 355 K HN 0.423 nan 8.250 nan 0.000 0.426 356 S N 0.257 115.982 115.700 0.042 0.000 2.632 356 S HA 0.139 4.609 4.470 -0.000 0.000 0.267 356 S C 0.814 175.486 174.600 0.120 0.000 1.276 356 S CA -0.381 57.858 58.200 0.064 0.000 0.998 356 S CB 1.186 64.419 63.200 0.055 0.000 0.953 356 S HN 0.603 nan 8.310 nan 0.000 0.547 357 E N 1.015 121.325 120.200 0.182 0.000 2.065 357 E HA -0.188 4.162 4.350 -0.000 0.000 0.201 357 E C 2.113 178.810 176.600 0.162 0.000 1.016 357 E CA 1.622 58.154 56.400 0.219 0.000 0.818 357 E CB -0.228 29.713 29.700 0.401 0.000 0.749 357 E HN 0.687 nan 8.360 nan 0.000 0.453 358 R N 0.542 121.211 120.500 0.282 0.000 2.096 358 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 358 R C 2.213 178.562 176.300 0.081 0.000 1.127 358 R CA 1.603 57.851 56.100 0.247 0.000 0.968 358 R CB -0.089 30.396 30.300 0.309 0.000 0.861 358 R HN 0.243 nan 8.270 nan 0.000 0.440 359 E N 0.165 120.413 120.200 0.080 0.000 2.150 359 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 359 E C 1.838 178.455 176.600 0.030 0.000 0.985 359 E CA 0.890 57.323 56.400 0.054 0.000 0.814 359 E CB 0.078 29.814 29.700 0.060 0.000 0.752 359 E HN 0.370 nan 8.360 nan 0.000 0.466 360 L N -0.180 121.052 121.223 0.014 0.000 2.341 360 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 360 L C 2.025 178.859 176.870 -0.059 0.000 1.115 360 L CA 0.098 54.937 54.840 -0.001 0.000 0.820 360 L CB 0.290 42.354 42.059 0.008 0.000 0.944 360 L HN 0.051 nan 8.230 nan 0.000 0.452 361 V N -1.067 118.761 119.914 -0.142 0.000 3.052 361 V HA -0.124 3.996 4.120 -0.000 0.000 0.254 361 V C 2.172 178.203 176.094 -0.104 0.000 1.100 361 V CA 0.858 63.025 62.300 -0.223 0.000 1.112 361 V CB -0.091 31.388 31.823 -0.573 0.000 0.738 361 V HN 0.339 nan 8.190 nan 0.000 0.469 362 Q N 0.394 120.164 119.800 -0.050 0.000 2.245 362 Q HA -0.043 4.297 4.340 -0.000 0.000 0.201 362 Q C 2.040 178.054 176.000 0.024 0.000 0.955 362 Q CA 1.278 57.084 55.803 0.005 0.000 0.870 362 Q CB -0.228 28.525 28.738 0.025 0.000 0.945 362 Q HN 0.433 nan 8.270 nan 0.000 0.461 363 V N 0.617 120.543 119.914 0.019 0.000 2.287 363 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 363 V C 2.217 178.330 176.094 0.031 0.000 1.053 363 V CA 1.724 64.043 62.300 0.031 0.000 1.027 363 V CB -0.663 31.183 31.823 0.039 0.000 0.646 363 V HN 0.471 nan 8.190 nan 0.000 0.447 364 L N -0.184 121.052 121.223 0.021 0.000 2.141 364 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 364 L C 2.305 179.220 176.870 0.074 0.000 1.094 364 L CA 1.745 56.601 54.840 0.027 0.000 0.763 364 L CB -0.202 41.859 42.059 0.004 0.000 0.908 364 L HN 0.239 nan 8.230 nan 0.000 0.437 365 V N 0.095 120.082 119.914 0.123 0.000 2.273 365 V HA -0.224 3.896 4.120 -0.000 0.000 0.242 365 V C 2.287 178.491 176.094 0.183 0.000 1.035 365 V CA 1.738 64.194 62.300 0.260 0.000 1.013 365 V CB -0.577 31.354 31.823 0.180 0.000 0.652 365 V HN 0.349 nan 8.190 nan 0.000 0.452 366 D N 1.128 121.588 120.400 0.100 0.000 2.127 366 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 366 D C 2.184 178.512 176.300 0.046 0.000 1.000 366 D CA 1.952 55.992 54.000 0.066 0.000 0.839 366 D CB -0.977 39.849 40.800 0.042 0.000 0.955 366 D HN 0.446 nan 8.370 nan 0.000 0.446 367 G N 0.652 109.471 108.800 0.030 0.000 2.513 367 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 367 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 367 G C 1.894 176.781 174.900 -0.022 0.000 1.160 367 G CA 1.203 46.304 45.100 0.001 0.000 0.767 367 G HN 0.292 nan 8.290 nan 0.000 0.571 368 V N 1.281 121.173 119.914 -0.037 0.000 2.427 368 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 368 V C 2.699 178.731 176.094 -0.103 0.000 1.051 368 V CA 1.833 64.049 62.300 -0.140 0.000 1.048 368 V CB -0.480 31.117 31.823 -0.376 0.000 0.666 368 V HN 0.319 nan 8.190 nan 0.000 0.456 369 N N 0.198 118.917 118.700 0.030 0.000 2.061 369 N HA -0.183 4.557 4.740 -0.000 0.000 0.193 369 N C 1.660 177.151 175.510 -0.032 0.000 1.030 369 N CA 1.540 54.618 53.050 0.046 0.000 0.856 369 N CB -0.595 37.948 38.487 0.093 0.000 1.023 369 N HN 0.372 nan 8.380 nan 0.000 0.424 370 L N 1.241 122.446 121.223 -0.029 0.000 2.056 370 L HA 0.002 4.341 4.340 -0.000 0.000 0.207 370 L C 2.052 178.878 176.870 -0.075 0.000 1.078 370 L CA 1.208 56.020 54.840 -0.047 0.000 0.749 370 L CB -0.791 41.248 42.059 -0.033 0.000 0.901 370 L HN 0.136 nan 8.230 nan 0.000 0.433 371 L N -0.883 120.294 121.223 -0.078 0.000 2.013 371 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 371 L C 2.511 179.293 176.870 -0.148 0.000 1.073 371 L CA 1.819 56.606 54.840 -0.089 0.000 0.753 371 L CB -0.527 41.490 42.059 -0.069 0.000 0.890 371 L HN 0.286 nan 8.230 nan 0.000 0.432 372 I N -0.633 119.810 120.570 -0.211 0.000 2.439 372 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 372 I C 2.728 178.664 176.117 -0.302 0.000 1.139 372 I CA 0.803 61.876 61.300 -0.379 0.000 1.438 372 I CB -0.417 37.271 38.000 -0.520 0.000 1.085 372 I HN 0.182 nan 8.210 nan 0.000 0.427 373 A N 0.141 122.852 122.820 -0.182 0.000 1.930 373 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 373 A C 2.455 179.968 177.584 -0.118 0.000 1.175 373 A CA 1.607 53.567 52.037 -0.129 0.000 0.627 373 A CB -1.085 17.866 19.000 -0.082 0.000 0.815 373 A HN 0.508 nan 8.150 nan 0.000 0.443 374 C N -0.952 118.278 119.300 -0.118 0.000 2.436 374 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 374 C C 2.445 177.373 174.990 -0.103 0.000 1.241 374 C CA 1.296 60.247 59.018 -0.111 0.000 1.721 374 C CB -1.327 26.339 27.740 -0.124 0.000 2.043 374 C HN 0.768 nan 8.230 nan 0.000 0.472 375 D N 0.165 120.501 120.400 -0.107 0.000 2.158 375 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 375 D C 2.226 178.478 176.300 -0.080 0.000 0.995 375 D CA 1.306 55.284 54.000 -0.037 0.000 0.846 375 D CB -0.012 40.804 40.800 0.027 0.000 0.941 375 D HN 0.463 nan 8.370 nan 0.000 0.456 376 K N -0.155 120.178 120.400 -0.113 0.000 2.103 376 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 376 K C 2.099 178.616 176.600 -0.138 0.000 1.052 376 K CA 0.635 56.855 56.287 -0.112 0.000 0.945 376 K CB 0.109 32.559 32.500 -0.085 0.000 0.722 376 K HN 0.055 nan 8.250 nan 0.000 0.443 377 K N 1.195 121.530 120.400 -0.109 0.000 2.002 377 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 377 K C 2.233 178.774 176.600 -0.098 0.000 1.048 377 K CA 1.169 57.404 56.287 -0.087 0.000 0.930 377 K CB -0.487 31.975 32.500 -0.064 0.000 0.714 377 K HN 0.147 nan 8.250 nan 0.000 0.438 378 L N 0.880 122.047 121.223 -0.093 0.000 1.989 378 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 378 L C 2.603 179.347 176.870 -0.209 0.000 1.071 378 L CA 1.457 56.263 54.840 -0.057 0.000 0.749 378 L CB -0.547 41.545 42.059 0.055 0.000 0.890 378 L HN 0.320 nan 8.230 nan 0.000 0.431 379 E N 0.390 120.248 120.200 -0.570 0.000 2.273 379 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 379 E C 1.766 178.122 176.600 -0.406 0.000 1.002 379 E CA 1.058 56.848 56.400 -1.017 0.000 0.828 379 E CB 0.049 29.042 29.700 -1.177 0.000 0.747 379 E HN 0.493 nan 8.360 nan 0.000 0.491 380 A N -0.045 122.636 122.820 -0.232 0.000 2.307 380 A HA 0.315 4.635 4.320 -0.000 0.000 0.218 380 A C 1.391 178.935 177.584 -0.068 0.000 1.228 380 A CA 0.597 52.562 52.037 -0.121 0.000 0.857 380 A CB -0.280 18.666 19.000 -0.091 0.000 0.897 380 A HN 0.374 nan 8.150 nan 0.000 0.495 381 G N -0.578 108.187 108.800 -0.058 0.000 2.295 381 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.287 381 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.287 381 G C -0.153 174.744 174.900 -0.005 0.000 1.055 381 G CA 0.586 45.680 45.100 -0.010 0.000 0.922 381 G HN 0.654 nan 8.290 nan 0.000 0.503 382 Q N -0.452 119.342 119.800 -0.011 0.000 2.394 382 Q HA 0.635 4.975 4.340 -0.000 0.000 0.273 382 Q C 0.429 176.438 176.000 0.015 0.000 1.089 382 Q CA -0.273 55.528 55.803 -0.003 0.000 0.812 382 Q CB 1.908 30.636 28.738 -0.017 0.000 1.353 382 Q HN 0.586 nan 8.270 nan 0.000 0.438 383 S N 0.796 116.511 115.700 0.024 0.000 2.614 383 S HA 0.429 4.899 4.470 -0.000 0.000 0.265 383 S C 0.593 175.210 174.600 0.030 0.000 1.303 383 S CA -0.507 57.722 58.200 0.048 0.000 1.000 383 S CB 0.354 63.582 63.200 0.048 0.000 0.935 383 S HN 0.706 nan 8.310 nan 0.000 0.551 384 I N -2.890 117.706 120.570 0.045 0.000 3.994 384 I HA 0.388 4.558 4.170 -0.000 0.000 0.323 384 I C 0.906 177.016 176.117 -0.011 0.000 1.501 384 I CA -0.312 60.977 61.300 -0.019 0.000 1.112 384 I CB 0.042 37.977 38.000 -0.109 0.000 1.254 384 I HN 0.676 nan 8.210 nan 0.000 0.495 385 D N 3.116 123.541 120.400 0.041 0.000 2.116 385 D HA -0.332 4.308 4.640 -0.000 0.000 0.193 385 D C 1.868 178.174 176.300 0.009 0.000 0.998 385 D CA 2.529 56.552 54.000 0.040 0.000 0.836 385 D CB 0.079 40.907 40.800 0.046 0.000 0.951 385 D HN 0.636 nan 8.370 nan 0.000 0.449 386 D N -0.219 120.183 120.400 0.003 0.000 2.264 386 D HA -0.184 4.456 4.640 -0.000 0.000 0.208 386 D C 1.909 178.200 176.300 -0.014 0.000 0.966 386 D CA 0.690 54.688 54.000 -0.004 0.000 0.864 386 D CB -0.311 40.487 40.800 -0.003 0.000 0.933 386 D HN 0.396 nan 8.370 nan 0.000 0.499 387 M N 0.342 119.927 119.600 -0.026 0.000 2.236 387 M HA 0.123 4.603 4.480 -0.000 0.000 0.266 387 M C 1.185 177.461 176.300 -0.040 0.000 1.070 387 M CA 0.172 55.450 55.300 -0.037 0.000 1.137 387 M CB -0.260 32.307 32.600 -0.055 0.000 1.378 387 M HN -0.106 nan 8.290 nan 0.000 0.426 388 I N 2.397 122.940 120.570 -0.044 0.000 2.683 388 I HA -0.008 4.162 4.170 -0.000 0.000 0.286 388 I C -1.829 174.272 176.117 -0.026 0.000 1.175 388 I CA -1.379 59.895 61.300 -0.042 0.000 1.429 388 I CB -0.217 37.760 38.000 -0.038 0.000 1.371 388 I HN -0.076 nan 8.210 nan 0.000 0.569 389 P HA -0.042 nan 4.420 nan 0.000 0.266 389 P C -0.586 176.706 177.300 -0.013 0.000 1.180 389 P CA 0.120 63.209 63.100 -0.018 0.000 0.765 389 P CB 0.487 32.174 31.700 -0.021 0.000 0.806 390 K N 0.000 120.395 120.400 -0.008 0.000 2.780 390 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 390 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 390 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 390 K HN 0.000 nan 8.250 nan 0.000 0.543