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 1lgr_1_E DATA FIRST_RESID 1 DATA SEQUENCE SAEHVLTMLN EHEVKFVDLR FTDTKGKEQH VTIPAHQVNA EFFEEGKMFD DATA SEQUENCE GSSIGGWXXX XXXDMVLMPD ASTAVIDPFF ADSTLIIRCD ILEPGTLQGY DATA SEQUENCE DRDPRSIAKR AEDYLRATGI ADTVLFGPEP EFFLFDDIRF GASISGSHVA DATA SEQUENCE IDDIEGAWNS STKYEGGNKG HRPGVKGGYF PVPPVDSAQD IRSEMCLVME DATA SEQUENCE QMGLVVEAHH HEVATAGQNE VATRFNTMTK KADEIQIYKY VVHNVAHRFG DATA SEQUENCE KTATFMPKPM FGDNGSGMHC HMSLAKNGTN LFSGDKYAGL SEQALYYIGG DATA SEQUENCE VIKHAKAINA LANPTTNSYK RLVPXXXXPV MLAYSARNRS ASIRIPVVAS DATA SEQUENCE PKARRIEVRF PDPAANPYLC FAALLMAGLD GIKNKIHPGE PMDXXXXXXX DATA SEQUENCE XXXXXXIPQV AGSLEEALNA LDLDREFLKA GGVFTDEAID AYIALRREED DATA SEQUENCE DRVRMTPHPV EFELYYSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.464 174.600 -0.227 0.000 1.055 1 S CA 0.000 58.144 58.200 -0.094 0.000 1.107 1 S CB 0.000 63.157 63.200 -0.071 0.000 0.593 2 A N 1.269 123.817 122.820 -0.453 0.000 1.884 2 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 2 A C 1.959 179.286 177.584 -0.429 0.000 1.197 2 A CA 2.638 54.137 52.037 -0.898 0.000 0.637 2 A CB -1.543 17.017 19.000 -0.734 0.000 0.827 2 A HN 1.035 nan 8.150 nan 0.000 0.450 3 E N -0.681 119.401 120.200 -0.197 0.000 2.108 3 E HA -0.270 4.080 4.350 -0.000 0.000 0.203 3 E C 1.907 178.500 176.600 -0.011 0.000 1.022 3 E CA 1.927 58.286 56.400 -0.067 0.000 0.823 3 E CB -0.527 29.153 29.700 -0.035 0.000 0.744 3 E HN 0.823 nan 8.360 nan 0.000 0.456 4 H N -0.721 118.295 119.070 -0.091 0.000 2.353 4 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 4 H C 2.014 177.335 175.328 -0.012 0.000 1.090 4 H CA 1.718 57.740 56.048 -0.042 0.000 1.327 4 H CB 0.037 29.774 29.762 -0.041 0.000 1.383 4 H HN 0.109 nan 8.280 nan 0.000 0.508 5 V N 1.428 121.258 119.914 -0.140 0.000 2.295 5 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 5 V C 2.984 179.073 176.094 -0.008 0.000 1.049 5 V CA 1.619 63.867 62.300 -0.088 0.000 1.024 5 V CB -0.640 31.236 31.823 0.089 0.000 0.648 5 V HN 0.324 nan 8.190 nan 0.000 0.447 6 L N 0.495 121.727 121.223 0.016 0.000 2.127 6 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 6 L C 2.776 179.658 176.870 0.020 0.000 1.089 6 L CA 2.197 57.072 54.840 0.058 0.000 0.757 6 L CB -0.864 41.230 42.059 0.058 0.000 0.899 6 L HN 0.653 nan 8.230 nan 0.000 0.434 7 T N -3.315 111.229 114.554 -0.016 0.000 2.770 7 T HA -0.179 4.171 4.350 -0.000 0.000 0.263 7 T C 1.856 176.549 174.700 -0.013 0.000 1.039 7 T CA 0.872 62.965 62.100 -0.011 0.000 1.142 7 T CB -0.299 68.569 68.868 0.000 0.000 0.868 7 T HN 0.159 nan 8.240 nan 0.000 0.435 8 M N 0.376 119.947 119.600 -0.049 0.000 2.143 8 M HA -0.067 4.413 4.480 -0.000 0.000 0.258 8 M C 2.204 178.588 176.300 0.141 0.000 1.071 8 M CA 1.379 56.723 55.300 0.074 0.000 1.088 8 M CB -0.733 31.856 32.600 -0.018 0.000 1.360 8 M HN 0.219 nan 8.290 nan 0.000 0.404 9 L N 0.544 121.807 121.223 0.066 0.000 2.013 9 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 9 L C 1.875 178.774 176.870 0.049 0.000 1.073 9 L CA 2.083 56.961 54.840 0.062 0.000 0.753 9 L CB -1.268 40.824 42.059 0.054 0.000 0.890 9 L HN 0.339 nan 8.230 nan 0.000 0.432 10 N N -1.301 117.415 118.700 0.027 0.000 2.207 10 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 10 N C 1.727 177.222 175.510 -0.024 0.000 1.020 10 N CA 0.630 53.683 53.050 0.004 0.000 0.858 10 N CB -0.104 38.382 38.487 -0.002 0.000 0.991 10 N HN 0.296 nan 8.380 nan 0.000 0.427 11 E N -0.029 120.140 120.200 -0.052 0.000 2.333 11 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 11 E C 0.270 176.621 176.600 -0.414 0.000 1.007 11 E CA 0.915 57.202 56.400 -0.188 0.000 0.845 11 E CB 0.120 29.715 29.700 -0.175 0.000 0.766 11 E HN 0.583 nan 8.360 nan 0.000 0.507 12 H N -0.715 118.350 119.070 -0.008 0.000 3.078 12 H HA 0.154 4.710 4.556 -0.000 0.000 0.263 12 H C -0.306 175.023 175.328 0.002 0.000 1.177 12 H CA -0.026 56.021 56.048 -0.002 0.000 1.128 12 H CB 0.690 30.451 29.762 -0.002 0.000 1.623 12 H HN 0.164 nan 8.280 nan 0.000 0.592 13 E N 1.085 121.325 120.200 0.067 0.000 2.294 13 E HA -0.150 4.200 4.350 -0.000 0.000 0.228 13 E C -0.306 176.321 176.600 0.044 0.000 1.253 13 E CA 0.100 56.524 56.400 0.039 0.000 0.716 13 E CB -1.024 28.692 29.700 0.026 0.000 1.184 13 E HN 0.075 nan 8.360 nan 0.000 0.374 14 V N 1.052 121.001 119.914 0.059 0.000 2.458 14 V HA -0.124 3.996 4.120 -0.000 0.000 0.287 14 V C 1.555 177.626 176.094 -0.038 0.000 1.009 14 V CA 1.139 63.465 62.300 0.044 0.000 1.091 14 V CB 0.933 32.788 31.823 0.054 0.000 0.960 14 V HN 0.293 nan 8.190 nan 0.000 0.476 15 K N 3.641 124.000 120.400 -0.069 0.000 2.243 15 K HA 0.201 4.521 4.320 -0.000 0.000 0.201 15 K C -0.242 175.909 176.600 -0.747 0.000 1.051 15 K CA 0.937 57.012 56.287 -0.352 0.000 0.970 15 K CB 0.244 32.572 32.500 -0.287 0.000 0.755 15 K HN 0.542 nan 8.250 nan 0.000 0.465 16 F N -0.961 118.990 119.950 0.001 0.000 2.613 16 F HA 0.357 4.884 4.527 -0.000 0.000 0.310 16 F C -0.682 175.121 175.800 0.004 0.000 1.085 16 F CA -1.226 56.762 58.000 -0.020 0.000 0.945 16 F CB 1.573 40.579 39.000 0.009 0.000 1.298 16 F HN -0.483 nan 8.300 nan 0.000 0.455 17 V N 1.153 121.169 119.914 0.171 0.000 2.448 17 V HA 0.327 4.447 4.120 -0.000 0.000 0.295 17 V C -1.238 174.936 176.094 0.134 0.000 1.025 17 V CA -0.631 61.733 62.300 0.108 0.000 0.859 17 V CB 1.796 33.610 31.823 -0.015 0.000 0.988 17 V HN 0.621 nan 8.190 nan 0.000 0.431 18 D N 4.279 124.782 120.400 0.172 0.000 2.443 18 D HA 0.378 5.018 4.640 -0.000 0.000 0.221 18 D C -0.544 175.848 176.300 0.154 0.000 1.097 18 D CA -0.359 53.759 54.000 0.198 0.000 0.865 18 D CB 0.892 41.878 40.800 0.311 0.000 1.034 18 D HN 0.133 nan 8.370 nan 0.000 0.511 19 L N 4.258 125.560 121.223 0.133 0.000 2.369 19 L HA 0.312 4.652 4.340 -0.000 0.000 0.279 19 L C 0.732 177.701 176.870 0.164 0.000 1.108 19 L CA 0.408 55.335 54.840 0.144 0.000 0.852 19 L CB 0.117 42.252 42.059 0.127 0.000 1.169 19 L HN 0.299 nan 8.230 nan 0.000 0.452 20 R N 4.342 124.936 120.500 0.157 0.000 2.711 20 R HA 0.765 5.105 4.340 -0.000 0.000 0.284 20 R C -0.996 175.443 176.300 0.233 0.000 0.968 20 R CA -0.621 55.555 56.100 0.126 0.000 0.924 20 R CB 2.208 32.520 30.300 0.020 0.000 1.162 20 R HN 0.466 nan 8.270 nan 0.000 0.465 21 F N -2.255 117.699 119.950 0.006 0.000 2.662 21 F HA 0.550 5.077 4.527 -0.000 0.000 0.312 21 F C -0.904 174.933 175.800 0.063 0.000 1.113 21 F CA -1.061 56.956 58.000 0.029 0.000 0.951 21 F CB 1.408 40.429 39.000 0.036 0.000 1.344 21 F HN 0.161 nan 8.300 nan 0.000 0.462 22 T N 1.529 116.231 114.554 0.246 0.000 2.859 22 T HA 0.427 4.777 4.350 -0.000 0.000 0.281 22 T C -0.717 174.142 174.700 0.264 0.000 1.005 22 T CA -0.469 61.730 62.100 0.166 0.000 1.025 22 T CB 1.288 70.313 68.868 0.262 0.000 0.977 22 T HN 0.766 nan 8.240 nan 0.000 0.458 23 D N 0.962 121.423 120.400 0.102 0.000 2.511 23 D HA 0.215 4.855 4.640 -0.000 0.000 0.276 23 D C 1.177 177.590 176.300 0.188 0.000 1.220 23 D CA -0.540 53.488 54.000 0.047 0.000 1.077 23 D CB -0.186 40.467 40.800 -0.245 0.000 1.126 23 D HN 0.337 nan 8.370 nan 0.000 0.583 24 T N -0.438 114.234 114.554 0.196 0.000 2.746 24 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 24 T C 1.625 176.482 174.700 0.261 0.000 1.039 24 T CA 1.412 63.698 62.100 0.309 0.000 1.142 24 T CB -0.214 68.861 68.868 0.345 0.000 0.866 24 T HN 0.404 nan 8.240 nan 0.000 0.444 25 K N 0.218 120.701 120.400 0.140 0.000 2.280 25 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 25 K C 1.683 178.359 176.600 0.127 0.000 1.047 25 K CA 0.767 57.125 56.287 0.118 0.000 0.942 25 K CB -0.061 32.465 32.500 0.043 0.000 0.739 25 K HN 0.494 nan 8.250 nan 0.000 0.457 26 G N 1.105 109.979 108.800 0.124 0.000 2.184 26 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.206 26 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.206 26 G C -0.198 174.745 174.900 0.072 0.000 0.995 26 G CA -0.257 44.910 45.100 0.112 0.000 0.651 26 G HN 0.142 nan 8.290 nan 0.000 0.511 27 K N 1.811 122.235 120.400 0.039 0.000 2.339 27 K HA 0.468 4.788 4.320 -0.000 0.000 0.286 27 K C 0.423 176.998 176.600 -0.041 0.000 1.050 27 K CA -0.375 55.917 56.287 0.009 0.000 0.956 27 K CB 0.585 33.079 32.500 -0.011 0.000 0.990 27 K HN 0.324 nan 8.250 nan 0.000 0.475 28 E N 3.678 123.859 120.200 -0.032 0.000 2.351 28 E HA -0.035 4.315 4.350 -0.000 0.000 0.266 28 E C -0.482 176.006 176.600 -0.186 0.000 1.031 28 E CA -0.226 56.115 56.400 -0.099 0.000 0.911 28 E CB 0.484 30.149 29.700 -0.059 0.000 0.986 28 E HN 0.426 nan 8.360 nan 0.000 0.446 29 Q N 2.839 122.400 119.800 -0.398 0.000 2.193 29 Q HA 0.322 4.662 4.340 -0.000 0.000 0.246 29 Q C -0.176 175.594 176.000 -0.383 0.000 0.959 29 Q CA -0.530 54.949 55.803 -0.541 0.000 0.904 29 Q CB 1.643 29.631 28.738 -1.250 0.000 1.238 29 Q HN 0.675 nan 8.270 nan 0.000 0.469 30 H N -2.262 116.596 119.070 -0.353 0.000 3.064 30 H HA 0.686 5.242 4.556 -0.000 0.000 0.352 30 H C -1.765 173.530 175.328 -0.055 0.000 1.260 30 H CA -0.899 55.056 56.048 -0.154 0.000 1.160 30 H CB 0.767 30.491 29.762 -0.064 0.000 1.879 30 H HN 0.389 nan 8.280 nan 0.000 0.544 31 V N 1.740 121.554 119.914 -0.168 0.000 2.925 31 V HA 0.624 4.744 4.120 -0.000 0.000 0.311 31 V C -0.997 175.029 176.094 -0.113 0.000 1.104 31 V CA -0.237 61.940 62.300 -0.205 0.000 0.954 31 V CB 2.320 34.112 31.823 -0.050 0.000 1.022 31 V HN 1.083 nan 8.190 nan 0.000 0.427 32 T N 7.131 121.606 114.554 -0.132 0.000 2.807 32 T HA 0.669 5.019 4.350 -0.000 0.000 0.279 32 T C -0.701 173.988 174.700 -0.019 0.000 0.993 32 T CA -0.154 61.914 62.100 -0.052 0.000 0.970 32 T CB 1.338 70.130 68.868 -0.127 0.000 0.950 32 T HN 0.476 nan 8.240 nan 0.000 0.441 33 I N 4.425 125.002 120.570 0.010 0.000 2.493 33 I HA 0.430 4.600 4.170 -0.000 0.000 0.298 33 I C -2.368 173.757 176.117 0.013 0.000 0.998 33 I CA -2.637 58.633 61.300 -0.050 0.000 1.137 33 I CB 1.860 39.747 38.000 -0.188 0.000 1.310 33 I HN 0.372 nan 8.210 nan 0.000 0.445 34 P HA 0.114 nan 4.420 nan 0.000 0.268 34 P C 0.048 177.076 177.300 -0.454 0.000 1.204 34 P CA -0.091 62.768 63.100 -0.401 0.000 0.768 34 P CB 0.784 32.026 31.700 -0.763 0.000 0.842 35 A N 3.830 126.423 122.820 -0.378 0.000 1.958 35 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 35 A C 1.625 179.112 177.584 -0.162 0.000 1.178 35 A CA 2.200 54.106 52.037 -0.218 0.000 0.642 35 A CB -1.838 17.075 19.000 -0.146 0.000 0.816 35 A HN 0.804 nan 8.150 nan 0.000 0.453 36 H N -0.865 118.122 119.070 -0.139 0.000 2.567 36 H HA 0.084 4.640 4.556 -0.000 0.000 0.281 36 H C 1.062 176.326 175.328 -0.107 0.000 1.055 36 H CA 1.268 57.254 56.048 -0.103 0.000 1.185 36 H CB -0.284 29.422 29.762 -0.094 0.000 1.325 36 H HN 0.481 nan 8.280 nan 0.000 0.622 37 Q N 0.167 119.905 119.800 -0.103 0.000 2.217 37 Q HA 0.241 4.581 4.340 -0.000 0.000 0.217 37 Q C -0.157 175.673 176.000 -0.283 0.000 0.844 37 Q CA -0.023 55.704 55.803 -0.126 0.000 0.957 37 Q CB 1.460 30.069 28.738 -0.215 0.000 1.127 37 Q HN 0.335 nan 8.270 nan 0.000 0.503 38 V N 4.248 123.988 119.914 -0.290 0.000 2.385 38 V HA 0.291 4.411 4.120 -0.000 0.000 0.269 38 V C 0.048 176.173 176.094 0.053 0.000 1.043 38 V CA -0.189 61.942 62.300 -0.283 0.000 0.906 38 V CB 0.276 31.973 31.823 -0.211 0.000 0.995 38 V HN 0.366 nan 8.190 nan 0.000 0.467 39 N N 3.262 122.064 118.700 0.169 0.000 2.961 39 N HA 0.485 5.225 4.740 -0.000 0.000 0.245 39 N C 0.775 176.474 175.510 0.314 0.000 1.404 39 N CA -0.376 52.810 53.050 0.227 0.000 0.880 39 N CB 1.902 40.465 38.487 0.128 0.000 1.461 39 N HN 0.418 nan 8.380 nan 0.000 0.510 40 A N 1.465 124.449 122.820 0.273 0.000 1.827 40 A HA -0.428 3.892 4.320 -0.000 0.000 0.262 40 A C 1.759 179.478 177.584 0.225 0.000 2.408 40 A CA 2.985 55.167 52.037 0.242 0.000 0.827 40 A CB -1.748 17.336 19.000 0.139 0.000 0.840 40 A HN 0.921 nan 8.150 nan 0.000 0.513 41 E N -1.744 118.554 120.200 0.163 0.000 2.136 41 E HA -0.286 4.064 4.350 -0.000 0.000 0.208 41 E C 1.738 178.419 176.600 0.135 0.000 1.035 41 E CA 1.679 58.155 56.400 0.126 0.000 0.838 41 E CB -0.479 29.285 29.700 0.107 0.000 0.748 41 E HN 0.742 nan 8.360 nan 0.000 0.459 42 F N 1.106 121.044 119.950 -0.020 0.000 2.026 42 F HA -0.200 4.327 4.527 -0.000 0.000 0.296 42 F C 1.905 177.605 175.800 -0.167 0.000 1.133 42 F CA 1.477 59.386 58.000 -0.151 0.000 1.188 42 F CB -0.629 38.196 39.000 -0.292 0.000 0.968 42 F HN -0.101 nan 8.300 nan 0.000 0.476 43 F N 0.661 120.478 119.950 -0.223 0.000 2.494 43 F HA -0.084 4.443 4.527 0.000 0.000 0.298 43 F C 2.405 178.104 175.800 -0.168 0.000 1.106 43 F CA 1.330 59.151 58.000 -0.299 0.000 1.452 43 F CB -0.728 38.204 39.000 -0.114 0.000 1.085 43 F HN 0.199 nan 8.300 nan 0.000 0.569 44 E N 0.113 120.350 120.200 0.063 0.000 2.038 44 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 44 E C 1.176 177.770 176.600 -0.010 0.000 0.967 44 E CA 0.732 57.155 56.400 0.039 0.000 0.816 44 E CB 0.118 29.855 29.700 0.063 0.000 0.784 44 E HN 0.117 nan 8.360 nan 0.000 0.456 45 E N -0.308 119.882 120.200 -0.016 0.000 2.501 45 E HA 0.206 4.556 4.350 -0.000 0.000 0.200 45 E C 0.010 176.584 176.600 -0.044 0.000 1.016 45 E CA 0.397 56.784 56.400 -0.021 0.000 0.921 45 E CB 0.913 30.618 29.700 0.008 0.000 1.034 45 E HN 0.441 nan 8.360 nan 0.000 0.468 46 G N 1.107 109.834 108.800 -0.121 0.000 2.682 46 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 46 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 46 G C -0.507 174.396 174.900 0.004 0.000 1.333 46 G CA -0.344 44.664 45.100 -0.152 0.000 0.904 46 G HN 0.065 nan 8.290 nan 0.000 0.569 47 K N -0.059 120.368 120.400 0.046 0.000 2.397 47 K HA 0.454 4.774 4.320 -0.000 0.000 0.253 47 K C 0.311 176.973 176.600 0.104 0.000 0.932 47 K CA -0.953 55.401 56.287 0.112 0.000 0.795 47 K CB 1.580 34.183 32.500 0.170 0.000 1.159 47 K HN 0.466 nan 8.250 nan 0.000 0.424 48 M N 3.637 123.300 119.600 0.105 0.000 2.238 48 M HA 0.284 4.763 4.480 -0.000 0.000 0.347 48 M C 0.067 176.503 176.300 0.226 0.000 1.173 48 M CA -0.107 55.269 55.300 0.126 0.000 1.147 48 M CB -0.614 32.019 32.600 0.055 0.000 1.547 48 M HN 0.501 nan 8.290 nan 0.000 0.455 49 F N -0.063 119.862 119.950 -0.041 0.000 2.643 49 F HA 0.540 5.067 4.527 -0.000 0.000 0.314 49 F C -0.831 174.960 175.800 -0.014 0.000 1.096 49 F CA -2.124 55.867 58.000 -0.015 0.000 0.953 49 F CB 0.736 39.738 39.000 0.003 0.000 1.345 49 F HN 0.481 nan 8.300 nan 0.000 0.468 50 D N 1.113 121.441 120.400 -0.121 0.000 2.402 50 D HA 0.346 4.986 4.640 -0.000 0.000 0.235 50 D C 1.337 177.360 176.300 -0.463 0.000 1.226 50 D CA 0.435 54.269 54.000 -0.276 0.000 0.918 50 D CB 0.960 41.715 40.800 -0.075 0.000 1.043 50 D HN 0.878 nan 8.370 nan 0.000 0.506 51 G N 2.173 110.426 108.800 -0.911 0.000 2.470 51 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 51 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 51 G C 1.573 176.438 174.900 -0.059 0.000 1.121 51 G CA 0.767 45.500 45.100 -0.613 0.000 0.766 51 G HN 0.527 nan 8.290 nan 0.000 0.553 52 S N 1.534 117.176 115.700 -0.096 0.000 2.372 52 S HA -0.228 4.241 4.470 -0.000 0.000 0.227 52 S C 2.458 177.086 174.600 0.046 0.000 1.044 52 S CA 2.402 60.603 58.200 0.002 0.000 1.050 52 S CB -0.519 62.665 63.200 -0.027 0.000 0.901 52 S HN 0.598 nan 8.310 nan 0.000 0.447 53 S N 0.523 116.246 115.700 0.038 0.000 2.650 53 S HA 0.304 4.774 4.470 -0.000 0.000 0.219 53 S C 0.486 175.107 174.600 0.034 0.000 0.960 53 S CA -0.478 57.746 58.200 0.041 0.000 0.925 53 S CB -0.463 62.761 63.200 0.039 0.000 0.775 53 S HN 0.421 nan 8.310 nan 0.000 0.525 54 I N 3.100 123.696 120.570 0.043 0.000 2.416 54 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 54 I C 1.207 177.234 176.117 -0.151 0.000 1.051 54 I CA -0.457 60.776 61.300 -0.112 0.000 1.375 54 I CB 0.009 37.822 38.000 -0.312 0.000 1.407 54 I HN 0.269 nan 8.210 nan 0.000 0.516 55 G N 4.331 113.029 108.800 -0.169 0.000 2.195 55 G HA2 0.298 4.258 3.960 -0.000 0.000 0.264 55 G HA3 0.298 4.258 3.960 -0.000 0.000 0.264 55 G C 0.972 175.825 174.900 -0.079 0.000 1.148 55 G CA 0.389 45.432 45.100 -0.095 0.000 1.023 55 G HN 1.247 nan 8.290 nan 0.000 0.429 56 G N 1.026 109.871 108.800 0.075 0.000 2.132 56 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.234 56 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.234 56 G C 0.148 175.359 174.900 0.518 0.000 0.989 56 G CA 0.176 45.407 45.100 0.217 0.000 0.676 56 G HN 0.589 nan 8.290 nan 0.000 0.522 65 M N 0.879 120.240 119.600 -0.399 0.000 2.667 65 M HA 0.592 5.072 4.480 -0.000 0.000 0.286 65 M C -1.338 174.915 176.300 -0.077 0.000 1.270 65 M CA -1.186 53.911 55.300 -0.338 0.000 0.826 65 M CB 2.239 34.510 32.600 -0.550 0.000 1.743 65 M HN 0.267 nan 8.290 nan 0.000 0.460 66 V N 2.657 122.559 119.914 -0.019 0.000 2.448 66 V HA 0.489 4.609 4.120 -0.000 0.000 0.295 66 V C -1.000 175.108 176.094 0.025 0.000 1.025 66 V CA -0.614 61.716 62.300 0.050 0.000 0.859 66 V CB 1.650 33.464 31.823 -0.016 0.000 0.988 66 V HN 0.705 nan 8.190 nan 0.000 0.431 67 L N 7.358 128.579 121.223 -0.003 0.000 2.325 67 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 67 L C 0.017 176.806 176.870 -0.134 0.000 1.089 67 L CA -0.008 54.736 54.840 -0.159 0.000 0.836 67 L CB 1.031 42.942 42.059 -0.247 0.000 1.184 67 L HN 0.641 nan 8.230 nan 0.000 0.444 68 M N 8.108 127.626 119.600 -0.138 0.000 2.080 68 M HA 0.351 4.831 4.480 -0.000 0.000 0.350 68 M C -2.276 173.928 176.300 -0.161 0.000 1.143 68 M CA -2.592 52.615 55.300 -0.156 0.000 1.064 68 M CB 0.782 33.319 32.600 -0.104 0.000 1.429 68 M HN 0.104 nan 8.290 nan 0.000 0.418 69 P HA -0.000 nan 4.420 nan 0.000 0.262 69 P C -0.910 176.381 177.300 -0.014 0.000 1.199 69 P CA 0.146 63.126 63.100 -0.200 0.000 0.763 69 P CB 0.334 31.673 31.700 -0.602 0.000 0.790 70 D N 3.279 123.708 120.400 0.049 0.000 2.441 70 D HA 0.257 4.897 4.640 -0.000 0.000 0.221 70 D C 1.300 177.680 176.300 0.134 0.000 1.156 70 D CA -0.637 53.410 54.000 0.078 0.000 0.896 70 D CB 0.483 41.317 40.800 0.056 0.000 1.028 70 D HN 0.268 nan 8.370 nan 0.000 0.509 71 A N 2.943 125.868 122.820 0.175 0.000 2.186 71 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 71 A C 2.091 179.744 177.584 0.115 0.000 1.159 71 A CA 1.582 53.723 52.037 0.173 0.000 0.680 71 A CB -0.457 18.528 19.000 -0.025 0.000 0.787 71 A HN 0.587 nan 8.150 nan 0.000 0.467 72 S N -0.283 115.466 115.700 0.082 0.000 2.428 72 S HA -0.137 4.333 4.470 -0.000 0.000 0.230 72 S C 1.742 176.392 174.600 0.083 0.000 1.014 72 S CA 1.633 59.873 58.200 0.066 0.000 0.957 72 S CB -1.197 62.027 63.200 0.040 0.000 0.784 72 S HN 0.814 nan 8.310 nan 0.000 0.499 73 T N -0.231 114.379 114.554 0.094 0.000 3.148 73 T HA 0.494 4.844 4.350 -0.000 0.000 0.253 73 T C 0.599 175.353 174.700 0.090 0.000 1.134 73 T CA 0.159 62.312 62.100 0.087 0.000 1.051 73 T CB -0.530 68.389 68.868 0.086 0.000 0.959 73 T HN 0.558 nan 8.240 nan 0.000 0.525 74 A N 1.601 124.490 122.820 0.115 0.000 2.522 74 A HA 0.552 4.872 4.320 -0.000 0.000 0.256 74 A C 0.083 177.697 177.584 0.050 0.000 1.086 74 A CA -0.430 51.663 52.037 0.095 0.000 0.763 74 A CB -0.173 18.891 19.000 0.106 0.000 1.024 74 A HN 0.541 nan 8.150 nan 0.000 0.502 75 V N 3.091 123.012 119.914 0.012 0.000 2.789 75 V HA 0.447 4.567 4.120 -0.000 0.000 0.311 75 V C -0.192 175.855 176.094 -0.078 0.000 1.073 75 V CA -0.827 61.454 62.300 -0.033 0.000 0.921 75 V CB 1.631 33.434 31.823 -0.034 0.000 1.009 75 V HN 0.761 nan 8.190 nan 0.000 0.426 76 I N 2.479 122.967 120.570 -0.136 0.000 2.441 76 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 76 I C 0.566 176.590 176.117 -0.155 0.000 1.049 76 I CA 0.433 61.636 61.300 -0.162 0.000 1.381 76 I CB 0.682 38.518 38.000 -0.275 0.000 1.409 76 I HN 0.760 nan 8.210 nan 0.000 0.523 77 D N 9.332 129.637 120.400 -0.159 0.000 2.358 77 D HA 0.083 4.723 4.640 -0.000 0.000 0.258 77 D C -1.632 174.493 176.300 -0.292 0.000 1.223 77 D CA -1.151 52.697 54.000 -0.252 0.000 0.886 77 D CB 1.388 41.914 40.800 -0.456 0.000 1.120 77 D HN 0.345 nan 8.370 nan 0.000 0.482 78 P HA -0.023 nan 4.420 nan 0.000 0.242 78 P C 0.510 177.437 177.300 -0.621 0.000 1.197 78 P CA 0.492 63.214 63.100 -0.630 0.000 0.765 78 P CB 0.096 31.278 31.700 -0.863 0.000 0.936 79 F N -2.172 117.730 119.950 -0.080 0.000 2.619 79 F HA 0.252 4.779 4.527 0.000 0.000 0.281 79 F C 1.290 177.186 175.800 0.160 0.000 1.065 79 F CA -0.621 57.375 58.000 -0.006 0.000 1.304 79 F CB -0.818 38.144 39.000 -0.062 0.000 1.059 79 F HN -0.334 nan 8.300 nan 0.000 0.648 80 F N 1.443 121.525 119.950 0.220 0.000 2.602 80 F HA 0.269 4.796 4.527 -0.000 0.000 0.367 80 F C 1.649 177.510 175.800 0.102 0.000 1.126 80 F CA -0.715 57.368 58.000 0.139 0.000 1.321 80 F CB -0.162 38.909 39.000 0.118 0.000 1.094 80 F HN 0.025 nan 8.300 nan 0.000 0.594 81 A N 1.927 124.897 122.820 0.250 0.000 1.972 81 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 81 A C 0.697 178.380 177.584 0.165 0.000 1.169 81 A CA 1.126 53.262 52.037 0.164 0.000 0.635 81 A CB -0.582 18.481 19.000 0.104 0.000 0.810 81 A HN 0.691 nan 8.150 nan 0.000 0.446 82 D N -0.182 120.340 120.400 0.203 0.000 2.181 82 D HA 0.270 4.910 4.640 -0.000 0.000 0.248 82 D C -0.616 175.848 176.300 0.274 0.000 1.020 82 D CA -0.119 54.026 54.000 0.243 0.000 0.891 82 D CB 1.327 42.343 40.800 0.360 0.000 1.187 82 D HN 0.041 nan 8.370 nan 0.000 0.443 83 S N 0.838 116.662 115.700 0.207 0.000 2.571 83 S HA 0.092 4.562 4.470 -0.000 0.000 0.297 83 S C -0.416 174.309 174.600 0.208 0.000 1.234 83 S CA 0.140 58.441 58.200 0.169 0.000 1.120 83 S CB -0.342 62.928 63.200 0.116 0.000 0.923 83 S HN 0.298 nan 8.310 nan 0.000 0.504 84 T N 6.564 121.241 114.554 0.204 0.000 2.824 84 T HA 0.372 4.722 4.350 -0.000 0.000 0.282 84 T C -0.831 173.931 174.700 0.103 0.000 0.993 84 T CA -0.626 61.613 62.100 0.231 0.000 0.967 84 T CB 1.157 70.277 68.868 0.419 0.000 0.960 84 T HN 0.521 nan 8.240 nan 0.000 0.441 85 L N 4.818 126.099 121.223 0.096 0.000 2.272 85 L HA 0.562 4.902 4.340 -0.000 0.000 0.289 85 L C -0.623 176.290 176.870 0.072 0.000 1.032 85 L CA -0.672 54.193 54.840 0.043 0.000 0.810 85 L CB 0.549 42.633 42.059 0.041 0.000 1.205 85 L HN 0.701 nan 8.230 nan 0.000 0.422 86 I N 6.138 126.726 120.570 0.030 0.000 2.441 86 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 86 I C 0.008 176.166 176.117 0.067 0.000 1.049 86 I CA 0.108 61.428 61.300 0.032 0.000 1.381 86 I CB 0.971 38.940 38.000 -0.052 0.000 1.409 86 I HN 0.456 nan 8.210 nan 0.000 0.523 87 I N 6.505 127.137 120.570 0.103 0.000 2.439 87 I HA 0.345 4.515 4.170 -0.000 0.000 0.285 87 I C 0.092 176.276 176.117 0.112 0.000 1.021 87 I CA -0.712 60.667 61.300 0.132 0.000 1.091 87 I CB 1.662 39.784 38.000 0.203 0.000 1.242 87 I HN 0.553 nan 8.210 nan 0.000 0.439 88 R N 4.390 124.946 120.500 0.095 0.000 2.643 88 R HA 0.436 4.776 4.340 -0.000 0.000 0.270 88 R C -1.062 175.289 176.300 0.085 0.000 1.061 88 R CA 0.201 56.357 56.100 0.094 0.000 1.107 88 R CB 0.655 31.011 30.300 0.093 0.000 0.999 88 R HN 0.693 nan 8.270 nan 0.000 0.460 89 C N 1.952 121.305 119.300 0.088 0.000 2.719 89 C HA 0.520 4.980 4.460 -0.000 0.000 0.327 89 C C -1.019 173.971 174.990 0.000 0.000 1.238 89 C CA -0.875 58.159 59.018 0.026 0.000 1.727 89 C CB 1.929 29.661 27.740 -0.014 0.000 2.256 89 C HN 0.754 nan 8.230 nan 0.000 0.489 90 D N 1.156 121.526 120.400 -0.049 0.000 2.252 90 D HA 0.409 5.049 4.640 -0.000 0.000 0.245 90 D C -0.600 175.635 176.300 -0.109 0.000 1.009 90 D CA -0.208 53.751 54.000 -0.068 0.000 0.870 90 D CB 1.448 42.211 40.800 -0.062 0.000 1.251 90 D HN 0.235 nan 8.370 nan 0.000 0.460 91 I N 2.606 123.103 120.570 -0.122 0.000 2.322 91 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 91 I C 0.339 176.379 176.117 -0.128 0.000 1.060 91 I CA -0.162 61.039 61.300 -0.164 0.000 1.309 91 I CB -0.226 37.607 38.000 -0.278 0.000 1.415 91 I HN 0.124 nan 8.210 nan 0.000 0.492 92 L N 4.561 125.718 121.223 -0.110 0.000 2.334 92 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 92 L C 0.408 177.211 176.870 -0.111 0.000 1.020 92 L CA -1.044 53.744 54.840 -0.087 0.000 0.812 92 L CB 1.322 43.340 42.059 -0.067 0.000 1.264 92 L HN 0.397 nan 8.230 nan 0.000 0.439 93 E N 4.078 124.235 120.200 -0.072 0.000 2.299 93 E HA 0.139 4.489 4.350 -0.000 0.000 0.272 93 E C -2.306 174.253 176.600 -0.069 0.000 1.043 93 E CA -1.571 54.786 56.400 -0.072 0.000 0.895 93 E CB 0.606 30.296 29.700 -0.017 0.000 1.011 93 E HN 0.136 nan 8.360 nan 0.000 0.432 94 P HA 0.087 nan 4.420 nan 0.000 0.271 94 P C 0.782 178.056 177.300 -0.043 0.000 1.216 94 P CA 0.684 63.746 63.100 -0.064 0.000 0.776 94 P CB 1.371 33.025 31.700 -0.077 0.000 0.881 95 G N 3.190 111.971 108.800 -0.032 0.000 4.825 95 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.224 95 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.224 95 G C 1.300 176.187 174.900 -0.021 0.000 1.356 95 G CA 1.151 46.237 45.100 -0.023 0.000 0.966 95 G HN 0.664 nan 8.290 nan 0.000 0.690 96 T N -0.286 114.255 114.554 -0.023 0.000 2.897 96 T HA 0.154 4.504 4.350 -0.000 0.000 0.271 96 T C 1.422 176.109 174.700 -0.021 0.000 1.084 96 T CA 1.583 63.671 62.100 -0.020 0.000 1.123 96 T CB -0.148 68.709 68.868 -0.019 0.000 0.865 96 T HN 1.478 nan 8.240 nan 0.000 0.496 97 L N 0.631 121.838 121.223 -0.028 0.000 3.742 97 L HA -0.222 4.118 4.340 -0.000 0.000 0.431 97 L C 1.056 177.909 176.870 -0.029 0.000 1.220 97 L CA 0.939 55.761 54.840 -0.031 0.000 0.863 97 L CB -1.952 40.091 42.059 -0.027 0.000 1.751 97 L HN 0.477 nan 8.230 nan 0.000 0.922 98 Q N -0.161 119.621 119.800 -0.029 0.000 2.349 98 Q HA 0.582 4.922 4.340 -0.000 0.000 0.209 98 Q C 1.156 177.135 176.000 -0.034 0.000 0.920 98 Q CA 0.614 56.401 55.803 -0.027 0.000 0.901 98 Q CB 0.645 29.369 28.738 -0.024 0.000 1.021 98 Q HN 0.630 nan 8.270 nan 0.000 0.519 99 G N 0.652 109.431 108.800 -0.034 0.000 3.435 99 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.683 99 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.683 99 G C -1.248 173.640 174.900 -0.021 0.000 1.189 99 G CA -1.032 44.045 45.100 -0.039 0.000 1.069 99 G HN 0.146 nan 8.290 nan 0.000 0.508 100 Y N 2.407 122.579 120.300 -0.213 0.000 2.916 100 Y HA 0.062 4.612 4.550 -0.000 0.000 0.344 100 Y C 1.784 177.540 175.900 -0.239 0.000 1.282 100 Y CA 0.670 58.607 58.100 -0.271 0.000 1.604 100 Y CB 0.518 38.713 38.460 -0.442 0.000 1.207 100 Y HN 0.761 nan 8.280 nan 0.000 0.561 101 D N 2.184 122.318 120.400 -0.443 0.000 2.338 101 D HA 0.000 4.640 4.640 -0.000 0.000 0.239 101 D C 1.392 177.427 176.300 -0.442 0.000 1.095 101 D CA 0.542 54.314 54.000 -0.380 0.000 0.888 101 D CB 0.060 40.709 40.800 -0.253 0.000 0.899 101 D HN 0.515 nan 8.370 nan 0.000 0.525 102 R N -0.331 119.734 120.500 -0.725 0.000 2.419 102 R HA 0.084 4.424 4.340 -0.000 0.000 0.235 102 R C -0.274 175.863 176.300 -0.273 0.000 0.899 102 R CA -0.239 55.516 56.100 -0.576 0.000 1.048 102 R CB 0.473 30.141 30.300 -1.053 0.000 1.182 102 R HN 0.054 nan 8.270 nan 0.000 0.544 103 D N 1.410 121.643 120.400 -0.279 0.000 2.338 103 D HA 0.022 4.662 4.640 -0.000 0.000 0.255 103 D C -1.466 174.791 176.300 -0.071 0.000 1.237 103 D CA -2.244 51.724 54.000 -0.053 0.000 0.883 103 D CB 1.441 42.184 40.800 -0.095 0.000 1.087 103 D HN -0.033 nan 8.370 nan 0.000 0.485 104 P HA -0.202 nan 4.420 nan 0.000 0.218 104 P C 1.406 178.505 177.300 -0.336 0.000 1.148 104 P CA 0.917 63.958 63.100 -0.098 0.000 0.822 104 P CB 0.385 32.124 31.700 0.065 0.000 0.784 105 R N 0.130 120.292 120.500 -0.564 0.000 2.073 105 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 105 R C 2.591 178.745 176.300 -0.243 0.000 1.134 105 R CA 1.962 57.682 56.100 -0.634 0.000 0.952 105 R CB -0.660 29.346 30.300 -0.489 0.000 0.850 105 R HN 0.062 nan 8.270 nan 0.000 0.433 106 S N 0.732 116.319 115.700 -0.189 0.000 2.359 106 S HA -0.201 4.269 4.470 -0.000 0.000 0.223 106 S C 1.890 176.395 174.600 -0.158 0.000 1.039 106 S CA 1.712 59.828 58.200 -0.140 0.000 1.042 106 S CB -0.356 62.762 63.200 -0.137 0.000 0.915 106 S HN 0.306 nan 8.310 nan 0.000 0.439 107 I N 1.723 122.153 120.570 -0.233 0.000 2.194 107 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 107 I C 2.720 178.709 176.117 -0.213 0.000 1.093 107 I CA 1.287 62.384 61.300 -0.338 0.000 1.355 107 I CB -0.676 36.974 38.000 -0.584 0.000 1.046 107 I HN 0.295 nan 8.210 nan 0.000 0.413 108 A N 0.911 123.678 122.820 -0.089 0.000 1.877 108 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 108 A C 2.353 179.965 177.584 0.047 0.000 1.186 108 A CA 1.586 53.650 52.037 0.045 0.000 0.620 108 A CB -0.450 18.686 19.000 0.227 0.000 0.822 108 A HN 0.327 nan 8.150 nan 0.000 0.443 109 K N -0.524 119.889 120.400 0.022 0.000 2.063 109 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 109 K C 2.275 178.892 176.600 0.028 0.000 1.048 109 K CA 1.515 57.821 56.287 0.030 0.000 0.928 109 K CB -0.253 32.252 32.500 0.007 0.000 0.713 109 K HN 0.427 nan 8.250 nan 0.000 0.442 110 R N 0.539 121.033 120.500 -0.010 0.000 2.091 110 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 110 R C 2.445 178.783 176.300 0.063 0.000 1.136 110 R CA 1.348 57.451 56.100 0.005 0.000 0.959 110 R CB -0.468 29.796 30.300 -0.060 0.000 0.856 110 R HN 0.204 nan 8.270 nan 0.000 0.437 111 A N 1.393 124.239 122.820 0.043 0.000 1.940 111 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 111 A C 1.921 179.620 177.584 0.193 0.000 1.176 111 A CA 1.440 53.549 52.037 0.120 0.000 0.631 111 A CB -0.321 18.747 19.000 0.113 0.000 0.814 111 A HN 0.340 nan 8.150 nan 0.000 0.446 112 E N -0.219 120.070 120.200 0.148 0.000 2.047 112 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 112 E C 1.481 178.158 176.600 0.129 0.000 0.987 112 E CA 1.188 57.674 56.400 0.144 0.000 0.799 112 E CB -0.261 29.507 29.700 0.113 0.000 0.752 112 E HN 0.537 nan 8.360 nan 0.000 0.449 113 D N 0.294 120.761 120.400 0.111 0.000 2.117 113 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 113 D C 1.766 178.133 176.300 0.112 0.000 0.987 113 D CA 0.918 54.972 54.000 0.091 0.000 0.829 113 D CB -0.462 40.382 40.800 0.073 0.000 0.961 113 D HN 0.196 nan 8.370 nan 0.000 0.460 114 Y N 1.495 121.821 120.300 0.042 0.000 2.207 114 Y HA -0.195 4.355 4.550 0.000 0.000 0.287 114 Y C 2.234 178.173 175.900 0.065 0.000 1.156 114 Y CA 1.190 59.320 58.100 0.050 0.000 1.182 114 Y CB -0.298 38.195 38.460 0.054 0.000 0.979 114 Y HN -0.048 nan 8.280 nan 0.000 0.521 115 L N 0.126 121.458 121.223 0.181 0.000 2.012 115 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 115 L C 2.472 179.342 176.870 -0.001 0.000 1.073 115 L CA 1.903 56.807 54.840 0.107 0.000 0.748 115 L CB -0.455 41.704 42.059 0.167 0.000 0.891 115 L HN 0.317 nan 8.230 nan 0.000 0.431 116 R N -0.506 120.000 120.500 0.010 0.000 2.073 116 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 116 R C 2.272 178.540 176.300 -0.054 0.000 1.134 116 R CA 1.478 57.572 56.100 -0.010 0.000 0.952 116 R CB -0.459 29.847 30.300 0.010 0.000 0.850 116 R HN 0.467 nan 8.270 nan 0.000 0.433 117 A N 0.671 123.434 122.820 -0.094 0.000 1.972 117 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 117 A C 2.136 179.607 177.584 -0.188 0.000 1.169 117 A CA 2.007 53.965 52.037 -0.131 0.000 0.635 117 A CB -0.764 18.147 19.000 -0.149 0.000 0.810 117 A HN 0.547 nan 8.150 nan 0.000 0.446 118 T N -4.042 110.347 114.554 -0.275 0.000 3.085 118 T HA 0.322 4.672 4.350 -0.000 0.000 0.263 118 T C 1.558 176.205 174.700 -0.087 0.000 1.127 118 T CA 1.113 63.084 62.100 -0.215 0.000 1.103 118 T CB -0.398 68.326 68.868 -0.240 0.000 0.921 118 T HN 1.648 nan 8.240 nan 0.000 0.510 119 G N 1.488 110.252 108.800 -0.061 0.000 2.180 119 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 119 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 119 G C 0.787 175.689 174.900 0.004 0.000 0.989 119 G CA 0.592 45.679 45.100 -0.021 0.000 0.692 119 G HN 0.623 nan 8.290 nan 0.000 0.526 120 I N 0.123 120.703 120.570 0.017 0.000 2.394 120 I HA 0.279 4.449 4.170 -0.000 0.000 0.251 120 I C 1.578 177.728 176.117 0.056 0.000 1.136 120 I CA 1.433 62.768 61.300 0.057 0.000 1.425 120 I CB -0.238 37.821 38.000 0.098 0.000 1.079 120 I HN 0.635 nan 8.210 nan 0.000 0.425 121 A N 0.007 122.850 122.820 0.039 0.000 2.564 121 A HA 0.292 4.612 4.320 -0.000 0.000 0.291 121 A C -0.423 177.168 177.584 0.012 0.000 1.102 121 A CA -0.552 51.496 52.037 0.018 0.000 0.660 121 A CB 0.479 19.480 19.000 0.002 0.000 1.283 121 A HN 0.122 nan 8.150 nan 0.000 0.430 122 D N -0.131 120.270 120.400 0.001 0.000 2.277 122 D HA 0.082 4.722 4.640 -0.000 0.000 0.209 122 D C 0.641 176.950 176.300 0.014 0.000 0.970 122 D CA 1.712 55.716 54.000 0.007 0.000 0.874 122 D CB 0.138 40.940 40.800 0.003 0.000 0.982 122 D HN 0.740 nan 8.370 nan 0.000 0.504 123 T N -0.806 113.746 114.554 -0.003 0.000 2.912 123 T HA 0.536 4.885 4.350 -0.000 0.000 0.299 123 T C -0.431 174.252 174.700 -0.029 0.000 1.052 123 T CA -0.960 61.142 62.100 0.004 0.000 0.996 123 T CB 2.596 71.465 68.868 0.003 0.000 1.070 123 T HN -0.108 nan 8.240 nan 0.000 0.465 124 V N 2.046 121.974 119.914 0.023 0.000 2.394 124 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 124 V C -0.673 175.428 176.094 0.013 0.000 1.031 124 V CA -0.945 61.355 62.300 -0.000 0.000 0.881 124 V CB 0.751 32.685 31.823 0.183 0.000 0.982 124 V HN 0.740 nan 8.190 nan 0.000 0.451 125 L N 5.447 126.567 121.223 -0.172 0.000 2.287 125 L HA 0.628 4.968 4.340 -0.000 0.000 0.287 125 L C -0.607 176.114 176.870 -0.249 0.000 1.022 125 L CA -0.019 54.740 54.840 -0.135 0.000 0.814 125 L CB 1.031 42.905 42.059 -0.308 0.000 1.217 125 L HN 0.509 nan 8.230 nan 0.000 0.420 126 F N 1.185 121.033 119.950 -0.170 0.000 2.469 126 F HA 0.711 5.238 4.527 -0.000 0.000 0.332 126 F C 0.784 176.494 175.800 -0.149 0.000 1.103 126 F CA -0.632 57.202 58.000 -0.277 0.000 0.979 126 F CB 2.340 40.968 39.000 -0.620 0.000 1.137 126 F HN 0.444 nan 8.300 nan 0.000 0.463 127 G N 3.903 112.742 108.800 0.064 0.000 3.405 127 G HA2 0.510 4.470 3.960 -0.000 0.000 0.318 127 G HA3 0.510 4.470 3.960 -0.000 0.000 0.318 127 G C -3.262 171.725 174.900 0.145 0.000 1.597 127 G CA -1.488 43.679 45.100 0.111 0.000 1.022 127 G HN 0.219 nan 8.290 nan 0.000 0.506 128 P HA 0.276 nan 4.420 nan 0.000 0.280 128 P C -0.288 177.071 177.300 0.099 0.000 1.244 128 P CA -0.179 63.017 63.100 0.161 0.000 0.784 128 P CB 1.406 33.255 31.700 0.248 0.000 0.913 129 E N 3.815 124.088 120.200 0.121 0.000 2.490 129 E HA 0.237 4.587 4.350 -0.000 0.000 0.232 129 E C -2.255 174.377 176.600 0.055 0.000 1.091 129 E CA -1.930 54.511 56.400 0.068 0.000 1.050 129 E CB 0.014 29.742 29.700 0.047 0.000 1.342 129 E HN 0.398 nan 8.360 nan 0.000 0.454 130 P HA 0.015 nan 4.420 nan 0.000 0.271 130 P C -0.550 176.907 177.300 0.262 0.000 1.226 130 P CA 0.133 63.288 63.100 0.092 0.000 0.765 130 P CB 0.765 32.412 31.700 -0.088 0.000 0.835 131 E N 2.318 122.677 120.200 0.266 0.000 2.212 131 E HA 0.630 4.980 4.350 -0.000 0.000 0.270 131 E C -0.509 176.231 176.600 0.232 0.000 0.956 131 E CA -0.634 55.852 56.400 0.144 0.000 0.825 131 E CB 0.982 30.671 29.700 -0.018 0.000 1.167 131 E HN 0.416 nan 8.360 nan 0.000 0.400 132 F N -0.954 118.904 119.950 -0.154 0.000 2.650 132 F HA 0.679 5.206 4.527 -0.000 0.000 0.320 132 F C -1.296 174.191 175.800 -0.523 0.000 1.091 132 F CA -1.343 56.423 58.000 -0.390 0.000 0.962 132 F CB 0.862 39.434 39.000 -0.713 0.000 1.363 132 F HN 0.229 nan 8.300 nan 0.000 0.482 133 F N 1.444 121.237 119.950 -0.262 0.000 2.480 133 F HA 0.657 5.184 4.527 0.000 0.000 0.329 133 F C -0.775 174.718 175.800 -0.511 0.000 1.091 133 F CA -0.885 56.823 58.000 -0.486 0.000 0.972 133 F CB 2.018 40.536 39.000 -0.805 0.000 1.150 133 F HN 0.360 nan 8.300 nan 0.000 0.467 134 L N 4.775 125.857 121.223 -0.234 0.000 2.356 134 L HA 0.461 4.801 4.340 -0.000 0.000 0.264 134 L C -1.250 175.616 176.870 -0.007 0.000 1.029 134 L CA -0.408 54.363 54.840 -0.115 0.000 0.897 134 L CB -0.457 41.586 42.059 -0.028 0.000 1.256 134 L HN 0.264 nan 8.230 nan 0.000 0.444 135 F N 1.193 121.239 119.950 0.160 0.000 2.408 135 F HA 0.407 4.934 4.527 -0.000 0.000 0.325 135 F C 1.505 177.371 175.800 0.110 0.000 1.082 135 F CA -0.789 57.298 58.000 0.146 0.000 1.032 135 F CB 0.652 39.743 39.000 0.153 0.000 1.259 135 F HN 0.345 nan 8.300 nan 0.000 0.503 136 D N -0.641 119.953 120.400 0.323 0.000 2.277 136 D HA -0.002 4.638 4.640 -0.000 0.000 0.209 136 D C -0.260 176.140 176.300 0.166 0.000 0.970 136 D CA 1.113 55.230 54.000 0.194 0.000 0.874 136 D CB 0.234 41.127 40.800 0.154 0.000 0.982 136 D HN 0.513 nan 8.370 nan 0.000 0.504 137 D N -0.397 120.111 120.400 0.180 0.000 2.970 137 D HA 0.374 5.014 4.640 -0.000 0.000 0.230 137 D C -1.769 174.593 176.300 0.103 0.000 1.276 137 D CA -0.642 53.431 54.000 0.122 0.000 0.910 137 D CB 1.849 42.707 40.800 0.095 0.000 1.590 137 D HN -0.189 nan 8.370 nan 0.000 0.551 138 I N 2.856 123.487 120.570 0.102 0.000 2.468 138 I HA 0.542 4.712 4.170 -0.000 0.000 0.285 138 I C -1.485 174.646 176.117 0.024 0.000 1.039 138 I CA -0.219 61.143 61.300 0.104 0.000 1.074 138 I CB 1.205 39.356 38.000 0.251 0.000 1.228 138 I HN 0.399 nan 8.210 nan 0.000 0.436 139 R N 6.759 127.262 120.500 0.004 0.000 2.599 139 R HA 0.849 5.189 4.340 -0.000 0.000 0.295 139 R C -1.555 174.666 176.300 -0.131 0.000 0.963 139 R CA -0.485 55.540 56.100 -0.124 0.000 0.883 139 R CB 1.779 32.080 30.300 0.002 0.000 1.171 139 R HN 0.584 nan 8.270 nan 0.000 0.450 140 F N -1.233 118.554 119.950 -0.271 0.000 2.741 140 F HA 0.875 5.402 4.527 -0.000 0.000 0.311 140 F C -0.599 174.890 175.800 -0.517 0.000 1.149 140 F CA -1.183 56.466 58.000 -0.586 0.000 0.930 140 F CB 1.523 40.340 39.000 -0.307 0.000 1.312 140 F HN 0.615 nan 8.300 nan 0.000 0.450 141 G N -0.129 108.507 108.800 -0.274 0.000 2.556 141 G HA2 0.758 4.718 3.960 -0.000 0.000 0.294 141 G HA3 0.758 4.718 3.960 -0.000 0.000 0.294 141 G C -2.514 172.427 174.900 0.068 0.000 1.516 141 G CA -0.319 44.786 45.100 0.009 0.000 0.824 141 G HN 1.544 nan 8.290 nan 0.000 0.535 142 A N -0.107 122.763 122.820 0.083 0.000 2.422 142 A HA 0.983 5.303 4.320 -0.000 0.000 0.302 142 A C -0.212 177.406 177.584 0.057 0.000 1.041 142 A CA 0.073 52.148 52.037 0.063 0.000 0.708 142 A CB 1.920 20.945 19.000 0.042 0.000 1.257 142 A HN 2.205 nan 8.150 nan 0.000 0.414 143 S N 1.472 117.201 115.700 0.047 0.000 2.638 143 S HA 0.483 4.953 4.470 -0.000 0.000 0.274 143 S C 0.856 175.474 174.600 0.030 0.000 1.157 143 S CA -0.016 58.205 58.200 0.035 0.000 0.826 143 S CB 0.888 64.105 63.200 0.029 0.000 1.139 143 S HN 1.337 nan 8.310 nan 0.000 0.474 144 I N 2.378 122.964 120.570 0.027 0.000 2.194 144 I HA -0.167 4.003 4.170 -0.000 0.000 0.246 144 I C 2.001 178.135 176.117 0.029 0.000 1.093 144 I CA 2.461 63.779 61.300 0.031 0.000 1.355 144 I CB -0.241 37.775 38.000 0.027 0.000 1.046 144 I HN 0.824 nan 8.210 nan 0.000 0.413 145 S N -0.312 115.394 115.700 0.011 0.000 2.603 145 S HA 0.404 4.874 4.470 -0.000 0.000 0.220 145 S C 0.633 175.207 174.600 -0.043 0.000 0.967 145 S CA 0.129 58.323 58.200 -0.010 0.000 0.920 145 S CB -0.101 63.087 63.200 -0.019 0.000 0.773 145 S HN 0.758 nan 8.310 nan 0.000 0.529 146 G N 0.025 108.808 108.800 -0.028 0.000 2.341 146 G HA2 0.432 4.391 3.960 -0.000 0.000 0.293 146 G HA3 0.432 4.391 3.960 -0.000 0.000 0.293 146 G C -1.286 173.614 174.900 -0.000 0.000 1.298 146 G CA -0.302 44.761 45.100 -0.061 0.000 0.868 146 G HN 1.164 nan 8.290 nan 0.000 0.540 147 S N -0.605 115.096 115.700 0.001 0.000 2.565 147 S HA 0.878 5.348 4.470 -0.000 0.000 0.269 147 S C -1.097 173.573 174.600 0.116 0.000 1.153 147 S CA -0.129 58.110 58.200 0.065 0.000 0.835 147 S CB 2.298 65.507 63.200 0.015 0.000 1.122 147 S HN 2.386 nan 8.310 nan 0.000 0.462 148 H N -1.117 117.936 119.070 -0.028 0.000 3.037 148 H HA 0.811 5.367 4.556 -0.000 0.000 0.336 148 H C -2.117 173.228 175.328 0.028 0.000 1.323 148 H CA -0.871 55.159 56.048 -0.030 0.000 1.159 148 H CB 0.963 30.700 29.762 -0.041 0.000 1.882 148 H HN 1.064 nan 8.280 nan 0.000 0.535 149 V N 0.672 120.556 119.914 -0.050 0.000 2.888 149 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 149 V C -1.331 174.760 176.094 -0.004 0.000 1.114 149 V CA 0.077 62.342 62.300 -0.059 0.000 0.940 149 V CB 1.490 33.276 31.823 -0.062 0.000 1.021 149 V HN 1.330 nan 8.190 nan 0.000 0.426 150 A N 7.316 130.142 122.820 0.010 0.000 2.411 150 A HA 0.826 5.146 4.320 -0.000 0.000 0.285 150 A C -1.014 176.519 177.584 -0.084 0.000 1.129 150 A CA -0.417 51.601 52.037 -0.032 0.000 0.736 150 A CB 0.856 19.881 19.000 0.043 0.000 1.186 150 A HN 0.815 nan 8.150 nan 0.000 0.445 151 I N 1.848 122.296 120.570 -0.203 0.000 2.359 151 I HA 0.452 4.622 4.170 -0.000 0.000 0.294 151 I C -0.698 175.368 176.117 -0.085 0.000 0.987 151 I CA -0.200 60.919 61.300 -0.301 0.000 1.225 151 I CB 1.849 39.516 38.000 -0.555 0.000 1.366 151 I HN 0.588 nan 8.210 nan 0.000 0.466 152 D N 4.220 124.623 120.400 0.006 0.000 2.947 152 D HA 0.464 5.104 4.640 -0.000 0.000 0.224 152 D C -1.749 174.693 176.300 0.236 0.000 1.230 152 D CA -0.283 53.878 54.000 0.268 0.000 0.871 152 D CB 2.163 43.103 40.800 0.234 0.000 1.671 152 D HN 0.495 nan 8.370 nan 0.000 0.507 153 D N 2.136 122.690 120.400 0.256 0.000 2.736 153 D HA 0.200 4.840 4.640 -0.000 0.000 0.223 153 D C 0.579 176.897 176.300 0.030 0.000 1.231 153 D CA -0.623 53.483 54.000 0.177 0.000 0.818 153 D CB 1.543 42.511 40.800 0.281 0.000 1.587 153 D HN 0.225 nan 8.370 nan 0.000 0.463 154 I N 2.157 122.756 120.570 0.048 0.000 2.315 154 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 154 I C 1.327 177.398 176.117 -0.078 0.000 1.125 154 I CA 1.820 63.110 61.300 -0.017 0.000 1.392 154 I CB -0.016 37.953 38.000 -0.052 0.000 1.065 154 I HN 0.543 nan 8.210 nan 0.000 0.424 155 E N 0.261 120.421 120.200 -0.067 0.000 2.502 155 E HA 0.104 4.454 4.350 -0.000 0.000 0.194 155 E C 1.019 177.475 176.600 -0.239 0.000 1.062 155 E CA 0.260 56.612 56.400 -0.079 0.000 0.867 155 E CB -0.197 29.525 29.700 0.037 0.000 0.888 155 E HN 0.578 nan 8.360 nan 0.000 0.510 156 G N 0.785 109.256 108.800 -0.548 0.000 2.335 156 G HA2 0.162 4.122 3.960 -0.000 0.000 0.268 156 G HA3 0.162 4.122 3.960 -0.000 0.000 0.268 156 G C 1.027 175.387 174.900 -0.900 0.000 1.228 156 G CA 0.263 44.576 45.100 -1.311 0.000 0.968 156 G HN 0.162 nan 8.290 nan 0.000 0.459 157 A N 3.215 125.784 122.820 -0.418 0.000 1.997 157 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 157 A C 1.987 179.578 177.584 0.012 0.000 1.172 157 A CA 2.027 54.005 52.037 -0.099 0.000 0.645 157 A CB -0.734 18.303 19.000 0.061 0.000 0.813 157 A HN 1.169 nan 8.150 nan 0.000 0.454 158 W N -0.201 121.135 121.300 0.060 0.000 2.421 158 W HA -0.077 4.583 4.660 0.000 0.000 0.270 158 W C 0.995 177.541 176.519 0.046 0.000 1.233 158 W CA 0.899 58.270 57.345 0.043 0.000 1.226 158 W CB -1.103 28.376 29.460 0.030 0.000 1.121 158 W HN 0.333 nan 8.180 nan 0.000 0.579 159 N N 0.875 119.502 118.700 -0.121 0.000 2.515 159 N HA -0.099 4.641 4.740 -0.000 0.000 0.191 159 N C 1.810 177.364 175.510 0.073 0.000 1.182 159 N CA 0.877 53.944 53.050 0.029 0.000 0.879 159 N CB -0.087 38.426 38.487 0.044 0.000 0.984 159 N HN 0.284 nan 8.380 nan 0.000 0.453 160 S N -0.319 115.409 115.700 0.046 0.000 2.420 160 S HA -0.206 4.264 4.470 -0.000 0.000 0.237 160 S C 1.905 176.532 174.600 0.045 0.000 1.023 160 S CA 1.455 59.680 58.200 0.042 0.000 0.991 160 S CB -0.405 62.814 63.200 0.031 0.000 0.792 160 S HN 0.387 nan 8.310 nan 0.000 0.488 161 S N 0.187 115.915 115.700 0.048 0.000 2.524 161 S HA 0.144 4.614 4.470 -0.000 0.000 0.216 161 S C 0.638 175.233 174.600 -0.009 0.000 0.987 161 S CA -0.184 58.031 58.200 0.026 0.000 0.909 161 S CB -0.704 62.516 63.200 0.033 0.000 0.781 161 S HN 0.397 nan 8.310 nan 0.000 0.521 162 T N 3.754 118.284 114.554 -0.039 0.000 2.888 162 T HA 0.170 4.520 4.350 -0.000 0.000 0.301 162 T C -0.097 174.450 174.700 -0.255 0.000 1.001 162 T CA 0.110 62.091 62.100 -0.198 0.000 1.147 162 T CB 0.451 69.074 68.868 -0.408 0.000 0.931 162 T HN 0.312 nan 8.240 nan 0.000 0.541 163 K N 2.595 122.848 120.400 -0.245 0.000 2.297 163 K HA 0.185 4.505 4.320 -0.000 0.000 0.286 163 K C -0.318 176.121 176.600 -0.268 0.000 1.053 163 K CA -0.222 55.968 56.287 -0.162 0.000 0.940 163 K CB 0.697 33.146 32.500 -0.084 0.000 1.019 163 K HN 0.631 nan 8.250 nan 0.000 0.475 164 Y N 1.113 121.419 120.300 0.010 0.000 2.445 164 Y HA -0.067 4.483 4.550 -0.000 0.000 0.247 164 Y C 1.303 177.209 175.900 0.009 0.000 1.129 164 Y CA 0.154 58.261 58.100 0.011 0.000 1.251 164 Y CB 0.272 38.738 38.460 0.009 0.000 1.176 164 Y HN 0.908 nan 8.280 nan 0.000 0.522 165 E N -1.850 118.430 120.200 0.134 0.000 4.586 165 E HA -0.318 4.032 4.350 -0.000 0.000 0.271 165 E C 1.565 178.212 176.600 0.078 0.000 0.767 165 E CA 1.607 58.058 56.400 0.085 0.000 1.491 165 E CB -1.803 27.937 29.700 0.068 0.000 1.758 165 E HN 0.412 nan 8.360 nan 0.000 0.398 166 G N 0.688 109.544 108.800 0.093 0.000 2.464 166 G HA2 0.415 4.375 3.960 -0.000 0.000 0.217 166 G HA3 0.415 4.375 3.960 -0.000 0.000 0.217 166 G C 0.983 175.915 174.900 0.053 0.000 1.138 166 G CA 0.452 45.583 45.100 0.052 0.000 0.793 166 G HN 1.331 nan 8.290 nan 0.000 0.539 167 G N -0.916 107.938 108.800 0.091 0.000 2.362 167 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.656 167 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.656 167 G C 0.103 175.073 174.900 0.117 0.000 1.376 167 G CA 0.219 45.369 45.100 0.084 0.000 0.971 167 G HN 0.140 nan 8.290 nan 0.000 0.636 168 N N 0.250 119.023 118.700 0.122 0.000 2.409 168 N HA -0.051 4.689 4.740 -0.000 0.000 0.174 168 N C 1.542 177.072 175.510 0.032 0.000 1.037 168 N CA 1.313 54.465 53.050 0.170 0.000 0.898 168 N CB -0.236 38.368 38.487 0.195 0.000 1.010 168 N HN 0.601 nan 8.380 nan 0.000 0.445 169 K N -1.201 119.200 120.400 0.002 0.000 3.580 169 K HA -0.221 4.099 4.320 -0.000 0.000 0.288 169 K C 1.097 177.620 176.600 -0.128 0.000 1.160 169 K CA 1.322 57.595 56.287 -0.025 0.000 1.053 169 K CB -2.292 30.209 32.500 0.001 0.000 1.362 169 K HN 0.420 nan 8.250 nan 0.000 0.436 170 G N 1.374 110.098 108.800 -0.127 0.000 2.249 170 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.273 170 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.273 170 G C 0.023 174.735 174.900 -0.314 0.000 0.995 170 G CA 1.287 46.266 45.100 -0.202 0.000 0.671 170 G HN 0.615 nan 8.290 nan 0.000 0.539 171 H N 0.101 119.163 119.070 -0.013 0.000 2.723 171 H HA 0.571 5.127 4.556 -0.000 0.000 0.294 171 H C 0.682 175.995 175.328 -0.025 0.000 1.079 171 H CA 0.181 56.220 56.048 -0.016 0.000 1.411 171 H CB 0.834 30.586 29.762 -0.017 0.000 1.439 171 H HN 0.472 nan 8.280 nan 0.000 0.474 172 R N 3.892 124.421 120.500 0.049 0.000 2.604 172 R HA 0.242 4.582 4.340 -0.000 0.000 0.270 172 R C -2.993 173.305 176.300 -0.004 0.000 1.052 172 R CA -1.684 54.419 56.100 0.004 0.000 0.902 172 R CB 2.162 32.443 30.300 -0.033 0.000 1.233 172 R HN 0.366 nan 8.270 nan 0.000 0.455 173 P HA 0.105 nan 4.420 nan 0.000 0.271 173 P C 0.045 177.346 177.300 0.002 0.000 1.233 173 P CA 0.036 63.120 63.100 -0.028 0.000 0.764 173 P CB 1.102 32.754 31.700 -0.080 0.000 0.825 174 G N 2.173 110.983 108.800 0.017 0.000 2.647 174 G HA2 0.159 4.119 3.960 -0.000 0.000 0.271 174 G HA3 0.159 4.119 3.960 -0.000 0.000 0.271 174 G C 1.357 176.296 174.900 0.065 0.000 1.300 174 G CA -0.033 45.089 45.100 0.038 0.000 0.997 174 G HN 0.380 nan 8.290 nan 0.000 0.533 175 V N -1.836 118.130 119.914 0.087 0.000 2.255 175 V HA -0.034 4.086 4.120 -0.000 0.000 0.247 175 V C 1.840 177.994 176.094 0.099 0.000 1.051 175 V CA 2.113 64.482 62.300 0.115 0.000 1.018 175 V CB -0.601 31.291 31.823 0.115 0.000 0.641 175 V HN 0.554 nan 8.190 nan 0.000 0.445 176 K N 0.991 121.432 120.400 0.067 0.000 2.570 176 K HA 0.363 4.683 4.320 -0.000 0.000 0.210 176 K C 1.263 177.894 176.600 0.052 0.000 1.048 176 K CA 0.479 56.801 56.287 0.059 0.000 1.167 176 K CB 0.416 32.934 32.500 0.029 0.000 0.892 176 K HN 0.636 nan 8.250 nan 0.000 0.480 177 G N -0.179 108.653 108.800 0.053 0.000 3.502 177 G HA2 0.022 3.982 3.960 -0.000 0.000 0.267 177 G HA3 0.022 3.982 3.960 -0.000 0.000 0.267 177 G C 0.977 175.878 174.900 0.003 0.000 1.090 177 G CA -0.250 44.871 45.100 0.036 0.000 0.795 177 G HN 0.323 nan 8.290 nan 0.000 0.535 178 G N -0.160 108.642 108.800 0.002 0.000 2.598 178 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.215 178 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.215 178 G C 0.292 175.109 174.900 -0.137 0.000 1.131 178 G CA -0.112 44.868 45.100 -0.200 0.000 0.785 178 G HN 0.386 nan 8.290 nan 0.000 0.539 179 Y N 0.950 121.204 120.300 -0.077 0.000 2.613 179 Y HA 0.376 4.926 4.550 -0.000 0.000 0.354 179 Y C 0.248 176.149 175.900 0.001 0.000 1.063 179 Y CA -0.923 57.123 58.100 -0.089 0.000 1.384 179 Y CB -0.282 38.028 38.460 -0.250 0.000 1.199 179 Y HN 0.167 nan 8.280 nan 0.000 0.517 180 F N 1.551 121.317 119.950 -0.307 0.000 2.411 180 F HA -0.209 4.318 4.527 -0.000 0.000 0.393 180 F C -1.804 173.902 175.800 -0.157 0.000 0.576 180 F CA -0.395 57.433 58.000 -0.287 0.000 1.609 180 F CB -2.399 36.415 39.000 -0.309 0.000 2.186 180 F HN 0.400 nan 8.300 nan 0.000 0.274 181 P HA 0.401 nan 4.420 nan 0.000 0.268 181 P C 0.083 177.361 177.300 -0.036 0.000 1.205 181 P CA -0.146 62.953 63.100 -0.002 0.000 0.771 181 P CB 0.820 32.512 31.700 -0.013 0.000 0.858 182 V N 0.539 120.428 119.914 -0.042 0.000 3.237 182 V HA 0.240 4.359 4.120 -0.000 0.000 0.305 182 V C -2.250 173.817 176.094 -0.045 0.000 1.096 182 V CA -1.830 60.438 62.300 -0.053 0.000 1.130 182 V CB -1.087 30.702 31.823 -0.057 0.000 1.048 182 V HN 0.433 nan 8.190 nan 0.000 0.484 183 P HA 0.086 nan 4.420 nan 0.000 0.266 183 P C -1.796 175.462 177.300 -0.071 0.000 1.186 183 P CA -0.464 62.614 63.100 -0.037 0.000 0.767 183 P CB -0.131 31.554 31.700 -0.024 0.000 0.820 184 P HA -0.024 nan 4.420 nan 0.000 0.245 184 P C 0.945 178.246 177.300 0.001 0.000 1.212 184 P CA 0.524 63.598 63.100 -0.045 0.000 0.774 184 P CB 0.137 31.805 31.700 -0.053 0.000 0.999 185 V N 0.816 120.729 119.914 -0.003 0.000 2.343 185 V HA -0.153 3.966 4.120 -0.000 0.000 0.247 185 V C 1.187 177.286 176.094 0.008 0.000 1.051 185 V CA 1.836 64.150 62.300 0.024 0.000 1.036 185 V CB -1.165 30.662 31.823 0.007 0.000 0.654 185 V HN 0.211 nan 8.190 nan 0.000 0.451 186 D N -0.225 120.177 120.400 0.004 0.000 2.365 186 D HA 0.107 4.747 4.640 -0.000 0.000 0.237 186 D C 1.302 177.641 176.300 0.065 0.000 1.190 186 D CA 0.610 54.648 54.000 0.063 0.000 0.867 186 D CB 1.291 42.128 40.800 0.062 0.000 1.050 186 D HN 0.248 nan 8.370 nan 0.000 0.491 187 S N 2.615 118.363 115.700 0.079 0.000 2.522 187 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 187 S C 1.500 176.109 174.600 0.015 0.000 0.986 187 S CA 0.386 58.611 58.200 0.040 0.000 0.929 187 S CB 0.068 63.288 63.200 0.035 0.000 0.769 187 S HN 0.408 nan 8.310 nan 0.000 0.529 188 A N 0.429 123.252 122.820 0.006 0.000 2.460 188 A HA 0.403 4.723 4.320 -0.000 0.000 0.258 188 A C 1.795 179.313 177.584 -0.111 0.000 1.300 188 A CA 0.178 52.168 52.037 -0.079 0.000 0.913 188 A CB -0.321 18.599 19.000 -0.134 0.000 1.031 188 A HN 0.448 nan 8.150 nan 0.000 0.512 189 Q N 1.247 121.022 119.800 -0.041 0.000 2.014 189 Q HA -0.232 4.108 4.340 -0.000 0.000 0.207 189 Q C 1.089 177.039 176.000 -0.083 0.000 0.993 189 Q CA 2.591 58.384 55.803 -0.017 0.000 0.850 189 Q CB -0.239 28.516 28.738 0.029 0.000 0.916 189 Q HN 0.582 nan 8.270 nan 0.000 0.417 190 D N -0.565 119.799 120.400 -0.060 0.000 2.178 190 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 190 D C 1.907 178.060 176.300 -0.244 0.000 0.980 190 D CA 1.229 55.195 54.000 -0.057 0.000 0.842 190 D CB -0.101 40.741 40.800 0.071 0.000 0.948 190 D HN 0.422 nan 8.370 nan 0.000 0.472 191 I N 0.530 120.827 120.570 -0.455 0.000 2.286 191 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 191 I C 2.504 178.320 176.117 -0.502 0.000 1.104 191 I CA 0.767 61.577 61.300 -0.816 0.000 1.397 191 I CB -0.162 37.374 38.000 -0.773 0.000 1.072 191 I HN -0.122 nan 8.210 nan 0.000 0.417 192 R N 0.572 120.813 120.500 -0.431 0.000 2.066 192 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 192 R C 2.565 178.489 176.300 -0.627 0.000 1.131 192 R CA 1.580 57.362 56.100 -0.531 0.000 0.955 192 R CB -0.425 29.432 30.300 -0.738 0.000 0.851 192 R HN 0.248 nan 8.270 nan 0.000 0.432 193 S N 0.868 116.239 115.700 -0.548 0.000 2.370 193 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 193 S C 1.763 176.308 174.600 -0.092 0.000 1.033 193 S CA 1.114 59.215 58.200 -0.165 0.000 1.011 193 S CB -0.153 63.061 63.200 0.023 0.000 0.852 193 S HN 0.317 nan 8.310 nan 0.000 0.457 194 E N 0.743 120.877 120.200 -0.110 0.000 2.085 194 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 194 E C 2.028 178.593 176.600 -0.059 0.000 0.994 194 E CA 1.020 57.395 56.400 -0.041 0.000 0.801 194 E CB -0.195 29.506 29.700 0.003 0.000 0.743 194 E HN 0.541 nan 8.360 nan 0.000 0.453 195 M N -0.316 119.200 119.600 -0.140 0.000 2.159 195 M HA -0.199 4.280 4.480 -0.000 0.000 0.263 195 M C 2.612 178.853 176.300 -0.097 0.000 1.063 195 M CA 1.051 56.266 55.300 -0.141 0.000 1.110 195 M CB -0.306 32.156 32.600 -0.229 0.000 1.374 195 M HN 0.214 nan 8.290 nan 0.000 0.411 196 C N 0.421 119.680 119.300 -0.069 0.000 2.436 196 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 196 C C 2.677 177.668 174.990 0.002 0.000 1.241 196 C CA 0.616 59.636 59.018 0.003 0.000 1.721 196 C CB -1.095 26.693 27.740 0.081 0.000 2.043 196 C HN 0.526 nan 8.230 nan 0.000 0.472 197 L N 0.552 121.774 121.223 -0.002 0.000 2.012 197 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 197 L C 2.566 179.421 176.870 -0.025 0.000 1.073 197 L CA 1.378 56.216 54.840 -0.004 0.000 0.748 197 L CB -0.961 41.100 42.059 0.003 0.000 0.891 197 L HN 0.210 nan 8.230 nan 0.000 0.431 198 V N -0.487 119.405 119.914 -0.038 0.000 2.515 198 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 198 V C 2.489 178.548 176.094 -0.059 0.000 1.058 198 V CA 1.634 63.888 62.300 -0.077 0.000 1.064 198 V CB -0.396 31.377 31.823 -0.083 0.000 0.675 198 V HN 0.387 nan 8.190 nan 0.000 0.461 199 M N -0.654 118.927 119.600 -0.033 0.000 2.117 199 M HA -0.199 4.281 4.480 -0.000 0.000 0.262 199 M C 2.258 178.559 176.300 0.002 0.000 1.065 199 M CA 1.888 57.184 55.300 -0.007 0.000 1.114 199 M CB -0.460 32.145 32.600 0.008 0.000 1.361 199 M HN 0.370 nan 8.290 nan 0.000 0.408 200 E N -0.112 120.087 120.200 -0.001 0.000 2.106 200 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 200 E C 1.954 178.546 176.600 -0.014 0.000 0.984 200 E CA 1.007 57.405 56.400 -0.002 0.000 0.806 200 E CB -0.256 29.444 29.700 0.001 0.000 0.750 200 E HN 0.565 nan 8.360 nan 0.000 0.458 201 Q N 0.068 119.850 119.800 -0.030 0.000 2.297 201 Q HA -0.109 4.231 4.340 -0.000 0.000 0.208 201 Q C 1.581 177.550 176.000 -0.051 0.000 0.981 201 Q CA 0.947 56.722 55.803 -0.046 0.000 0.876 201 Q CB 0.127 28.821 28.738 -0.074 0.000 0.921 201 Q HN 0.268 nan 8.270 nan 0.000 0.446 202 M N -1.682 117.894 119.600 -0.040 0.000 2.419 202 M HA 0.195 4.675 4.480 -0.000 0.000 0.252 202 M C 0.641 176.940 176.300 -0.001 0.000 1.143 202 M CA 0.593 55.877 55.300 -0.026 0.000 0.985 202 M CB 1.239 33.832 32.600 -0.012 0.000 1.489 202 M HN 0.349 nan 8.290 nan 0.000 0.484 203 G N 1.152 109.951 108.800 -0.001 0.000 2.141 203 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.231 203 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.231 203 G C -0.378 174.525 174.900 0.005 0.000 0.984 203 G CA -0.435 44.667 45.100 0.003 0.000 0.660 203 G HN 0.293 nan 8.290 nan 0.000 0.525 204 L N 0.080 121.313 121.223 0.016 0.000 2.387 204 L HA 0.749 5.089 4.340 -0.000 0.000 0.266 204 L C 0.628 177.503 176.870 0.009 0.000 1.059 204 L CA -0.919 53.935 54.840 0.025 0.000 0.801 204 L CB 1.900 44.001 42.059 0.070 0.000 1.223 204 L HN -0.029 nan 8.230 nan 0.000 0.456 205 V N 2.349 122.260 119.914 -0.005 0.000 2.326 205 V HA 0.318 4.438 4.120 -0.000 0.000 0.281 205 V C -0.148 175.955 176.094 0.014 0.000 1.015 205 V CA -0.821 61.471 62.300 -0.014 0.000 0.823 205 V CB 1.503 33.289 31.823 -0.063 0.000 1.009 205 V HN 0.431 nan 8.190 nan 0.000 0.436 206 V N 5.099 125.035 119.914 0.038 0.000 2.715 206 V HA 0.165 4.285 4.120 -0.000 0.000 0.299 206 V C 1.096 177.216 176.094 0.044 0.000 1.054 206 V CA 0.260 62.599 62.300 0.065 0.000 1.077 206 V CB 1.075 32.946 31.823 0.081 0.000 0.972 206 V HN 0.969 nan 8.190 nan 0.000 0.484 207 E N 2.704 122.938 120.200 0.058 0.000 2.332 207 E HA 0.494 4.844 4.350 -0.000 0.000 0.202 207 E C 0.331 176.954 176.600 0.039 0.000 0.877 207 E CA 0.667 57.091 56.400 0.040 0.000 0.979 207 E CB 1.047 30.773 29.700 0.044 0.000 0.969 207 E HN 0.779 nan 8.360 nan 0.000 0.495 208 A N 1.113 123.976 122.820 0.072 0.000 2.608 208 A HA 0.516 4.836 4.320 -0.000 0.000 0.292 208 A C -1.826 175.834 177.584 0.128 0.000 1.066 208 A CA -0.903 51.167 52.037 0.055 0.000 0.676 208 A CB 0.983 20.036 19.000 0.089 0.000 1.277 208 A HN 0.319 nan 8.150 nan 0.000 0.413 209 H N -0.435 118.680 119.070 0.074 0.000 2.806 209 H HA 0.897 5.453 4.556 -0.000 0.000 0.367 209 H C -0.875 174.468 175.328 0.025 0.000 1.136 209 H CA -0.326 55.734 56.048 0.020 0.000 1.178 209 H CB 1.026 30.782 29.762 -0.010 0.000 1.718 209 H HN 1.212 nan 8.280 nan 0.000 0.540 210 H N -0.730 118.431 119.070 0.150 0.000 3.014 210 H HA 0.327 4.883 4.556 -0.000 0.000 0.337 210 H C -1.291 174.074 175.328 0.062 0.000 1.320 210 H CA -1.132 54.951 56.048 0.058 0.000 1.128 210 H CB 0.750 30.496 29.762 -0.027 0.000 1.862 210 H HN 0.818 nan 8.280 nan 0.000 0.536 211 H N 1.189 120.301 119.070 0.071 0.000 2.732 211 H HA 0.200 4.755 4.556 -0.000 0.000 0.351 211 H C -0.144 175.261 175.328 0.128 0.000 1.090 211 H CA 0.256 56.301 56.048 -0.004 0.000 1.431 211 H CB 0.968 30.740 29.762 0.018 0.000 1.447 211 H HN 0.691 nan 8.280 nan 0.000 0.582 212 E N 2.505 122.846 120.200 0.236 0.000 2.790 212 E HA 0.069 4.419 4.350 -0.000 0.000 0.256 212 E C 1.407 178.257 176.600 0.417 0.000 1.246 212 E CA -0.640 55.953 56.400 0.322 0.000 1.041 212 E CB 1.113 30.811 29.700 -0.002 0.000 1.272 212 E HN 0.426 nan 8.360 nan 0.000 0.603 213 V N 0.729 120.823 119.914 0.300 0.000 2.427 213 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 213 V C 0.971 177.173 176.094 0.179 0.000 1.051 213 V CA 1.568 63.993 62.300 0.208 0.000 1.048 213 V CB -0.497 31.365 31.823 0.065 0.000 0.666 213 V HN 0.600 nan 8.190 nan 0.000 0.456 214 A N 0.074 123.008 122.820 0.190 0.000 2.462 214 A HA 0.351 4.671 4.320 -0.000 0.000 0.243 214 A C 0.732 178.506 177.584 0.317 0.000 1.076 214 A CA 0.579 52.779 52.037 0.272 0.000 0.773 214 A CB 0.122 19.383 19.000 0.436 0.000 1.010 214 A HN 0.331 nan 8.150 nan 0.000 0.493 215 T N 1.102 115.818 114.554 0.270 0.000 2.640 215 T HA 0.348 4.698 4.350 -0.000 0.000 0.316 215 T C 1.118 176.002 174.700 0.306 0.000 1.036 215 T CA 1.233 63.462 62.100 0.215 0.000 1.009 215 T CB -0.080 68.865 68.868 0.128 0.000 1.017 215 T HN 2.385 nan 8.240 nan 0.000 0.530 216 A N -0.012 122.899 122.820 0.151 0.000 2.745 216 A HA 0.089 4.409 4.320 -0.000 0.000 0.296 216 A C 1.427 179.320 177.584 0.516 0.000 1.500 216 A CA 1.407 53.588 52.037 0.240 0.000 0.766 216 A CB -2.274 16.901 19.000 0.291 0.000 1.030 216 A HN 2.647 nan 8.150 nan 0.000 0.489 217 G N -2.022 106.963 108.800 0.310 0.000 2.171 217 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.238 217 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.238 217 G C -0.141 174.600 174.900 -0.265 0.000 1.039 217 G CA 0.790 45.931 45.100 0.068 0.000 0.759 217 G HN 1.535 nan 8.290 nan 0.000 0.501 218 Q N -0.278 119.261 119.800 -0.434 0.000 2.304 218 Q HA 0.502 4.842 4.340 -0.000 0.000 0.260 218 Q C 0.224 175.674 176.000 -0.916 0.000 0.965 218 Q CA 0.064 55.277 55.803 -0.984 0.000 0.898 218 Q CB 0.328 28.555 28.738 -0.852 0.000 1.196 218 Q HN 0.580 nan 8.270 nan 0.000 0.402 219 N N 2.038 120.077 118.700 -1.101 0.000 2.455 219 N HA 0.403 5.143 4.740 -0.000 0.000 0.278 219 N C -1.831 172.997 175.510 -1.138 0.000 1.291 219 N CA -0.741 51.638 53.050 -1.118 0.000 0.780 219 N CB 1.980 39.733 38.487 -1.224 0.000 1.520 219 N HN 0.457 nan 8.380 nan 0.000 0.486 220 E N 0.650 120.408 120.200 -0.736 0.000 2.291 220 E HA 0.408 4.758 4.350 -0.000 0.000 0.276 220 E C -1.828 174.696 176.600 -0.128 0.000 0.896 220 E CA -0.576 55.588 56.400 -0.394 0.000 0.774 220 E CB 1.621 31.067 29.700 -0.423 0.000 1.227 220 E HN 0.223 nan 8.360 nan 0.000 0.413 221 V N 3.101 123.168 119.914 0.254 0.000 2.334 221 V HA 0.532 4.652 4.120 -0.000 0.000 0.281 221 V C 0.092 176.387 176.094 0.335 0.000 1.016 221 V CA -0.598 61.882 62.300 0.300 0.000 0.832 221 V CB 1.062 33.070 31.823 0.309 0.000 0.999 221 V HN 0.764 nan 8.190 nan 0.000 0.439 222 A N 3.795 126.747 122.820 0.220 0.000 2.362 222 A HA 0.660 4.980 4.320 -0.000 0.000 0.276 222 A C 0.247 177.925 177.584 0.158 0.000 1.153 222 A CA -0.024 52.120 52.037 0.178 0.000 0.813 222 A CB 0.604 19.703 19.000 0.165 0.000 1.081 222 A HN 0.683 nan 8.150 nan 0.000 0.507 223 T N 2.141 116.769 114.554 0.123 0.000 2.861 223 T HA 0.373 4.723 4.350 -0.000 0.000 0.287 223 T C 0.128 174.857 174.700 0.048 0.000 1.003 223 T CA -0.583 61.577 62.100 0.100 0.000 0.977 223 T CB 0.625 69.584 68.868 0.151 0.000 0.996 223 T HN 0.753 nan 8.240 nan 0.000 0.448 224 R N 2.960 123.458 120.500 -0.003 0.000 2.585 224 R HA 0.189 4.529 4.340 -0.000 0.000 0.275 224 R C 0.390 176.613 176.300 -0.128 0.000 1.018 224 R CA -0.197 55.850 56.100 -0.089 0.000 1.072 224 R CB 0.119 30.283 30.300 -0.227 0.000 0.953 224 R HN 0.610 nan 8.270 nan 0.000 0.419 225 F N 2.379 122.313 119.950 -0.027 0.000 2.587 225 F HA 0.162 4.689 4.527 -0.000 0.000 0.327 225 F C 0.130 175.922 175.800 -0.014 0.000 1.232 225 F CA -0.375 57.607 58.000 -0.030 0.000 1.353 225 F CB 0.241 39.203 39.000 -0.064 0.000 1.156 225 F HN 0.396 nan 8.300 nan 0.000 0.599 226 N N -1.584 117.292 118.700 0.293 0.000 3.106 226 N HA 0.200 4.940 4.740 -0.000 0.000 0.253 226 N C -1.517 174.137 175.510 0.239 0.000 1.506 226 N CA -0.022 53.146 53.050 0.196 0.000 0.876 226 N CB 1.975 40.500 38.487 0.062 0.000 1.452 226 N HN 0.952 nan 8.380 nan 0.000 0.542 227 T N -0.979 113.676 114.554 0.168 0.000 2.918 227 T HA 0.137 4.487 4.350 -0.000 0.000 0.302 227 T C 1.868 176.656 174.700 0.147 0.000 1.045 227 T CA -0.118 62.074 62.100 0.153 0.000 1.114 227 T CB 0.624 69.559 68.868 0.112 0.000 0.965 227 T HN 0.567 nan 8.240 nan 0.000 0.540 228 M N 2.068 121.779 119.600 0.184 0.000 2.706 228 M HA -0.234 4.246 4.480 -0.000 0.000 0.266 228 M C 2.209 178.555 176.300 0.076 0.000 1.060 228 M CA 2.825 58.167 55.300 0.070 0.000 1.070 228 M CB -1.085 31.583 32.600 0.113 0.000 1.241 228 M HN 0.904 nan 8.290 nan 0.000 0.488 229 T N 0.220 114.848 114.554 0.123 0.000 2.881 229 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 229 T C 1.793 176.583 174.700 0.150 0.000 1.068 229 T CA 1.281 63.485 62.100 0.174 0.000 1.131 229 T CB -0.266 68.711 68.868 0.182 0.000 0.871 229 T HN 0.361 nan 8.240 nan 0.000 0.479 230 K N 0.832 121.298 120.400 0.111 0.000 2.103 230 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 230 K C 2.355 178.999 176.600 0.073 0.000 1.052 230 K CA 1.018 57.359 56.287 0.090 0.000 0.945 230 K CB -0.071 32.472 32.500 0.071 0.000 0.722 230 K HN 0.050 nan 8.250 nan 0.000 0.443 231 K N 0.930 121.376 120.400 0.076 0.000 2.057 231 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 231 K C 1.754 178.411 176.600 0.094 0.000 1.050 231 K CA 1.444 57.780 56.287 0.082 0.000 0.935 231 K CB -0.425 32.117 32.500 0.069 0.000 0.715 231 K HN 0.152 nan 8.250 nan 0.000 0.439 232 A N 1.263 124.115 122.820 0.053 0.000 1.908 232 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 232 A C 1.667 179.018 177.584 -0.388 0.000 1.181 232 A CA 2.170 54.009 52.037 -0.330 0.000 0.627 232 A CB -0.757 17.779 19.000 -0.773 0.000 0.818 232 A HN 0.441 nan 8.150 nan 0.000 0.445 233 D N -0.134 120.203 120.400 -0.105 0.000 2.144 233 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 233 D C 1.785 178.099 176.300 0.022 0.000 0.984 233 D CA 1.394 55.422 54.000 0.047 0.000 0.834 233 D CB -0.542 40.339 40.800 0.134 0.000 0.955 233 D HN 0.664 nan 8.370 nan 0.000 0.465 234 E N 0.115 120.332 120.200 0.028 0.000 2.204 234 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 234 E C 2.020 178.652 176.600 0.054 0.000 0.990 234 E CA 0.261 56.692 56.400 0.051 0.000 0.821 234 E CB 0.135 29.867 29.700 0.054 0.000 0.750 234 E HN 0.219 nan 8.360 nan 0.000 0.477 235 I N 1.396 121.956 120.570 -0.017 0.000 2.252 235 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 235 I C 2.325 178.411 176.117 -0.052 0.000 1.102 235 I CA 1.260 62.517 61.300 -0.072 0.000 1.385 235 I CB -1.029 36.870 38.000 -0.169 0.000 1.064 235 I HN 0.132 nan 8.210 nan 0.000 0.414 236 Q N 0.253 120.015 119.800 -0.062 0.000 2.124 236 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 236 Q C 2.385 178.415 176.000 0.049 0.000 0.977 236 Q CA 1.375 57.170 55.803 -0.012 0.000 0.850 236 Q CB -0.212 28.542 28.738 0.027 0.000 0.901 236 Q HN 0.517 nan 8.270 nan 0.000 0.429 237 I N -0.384 120.230 120.570 0.073 0.000 2.286 237 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 237 I C 2.280 178.495 176.117 0.163 0.000 1.104 237 I CA 0.848 62.222 61.300 0.123 0.000 1.397 237 I CB -0.360 37.697 38.000 0.094 0.000 1.072 237 I HN 0.090 nan 8.210 nan 0.000 0.417 238 Y N 2.243 122.542 120.300 -0.002 0.000 2.053 238 Y HA -0.355 4.195 4.550 -0.000 0.000 0.277 238 Y C 2.539 178.392 175.900 -0.079 0.000 1.159 238 Y CA 1.879 59.961 58.100 -0.030 0.000 1.125 238 Y CB -0.191 38.239 38.460 -0.050 0.000 0.969 238 Y HN -0.038 nan 8.280 nan 0.000 0.492 239 K N -1.239 119.199 120.400 0.063 0.000 2.063 239 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 239 K C 2.023 178.589 176.600 -0.056 0.000 1.048 239 K CA 1.810 57.983 56.287 -0.190 0.000 0.928 239 K CB -0.658 31.603 32.500 -0.398 0.000 0.713 239 K HN 0.443 nan 8.250 nan 0.000 0.442 240 Y N 1.534 121.804 120.300 -0.050 0.000 2.181 240 Y HA -0.231 4.318 4.550 -0.000 0.000 0.288 240 Y C 2.001 177.896 175.900 -0.007 0.000 1.146 240 Y CA 1.032 59.139 58.100 0.012 0.000 1.164 240 Y CB -0.290 38.188 38.460 0.029 0.000 0.982 240 Y HN -0.248 nan 8.280 nan 0.000 0.515 241 V N -1.068 118.849 119.914 0.005 0.000 2.307 241 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 241 V C 2.383 178.337 176.094 -0.233 0.000 1.045 241 V CA 1.667 63.950 62.300 -0.028 0.000 1.024 241 V CB -0.851 30.982 31.823 0.017 0.000 0.651 241 V HN 0.318 nan 8.190 nan 0.000 0.449 242 V N -0.259 119.432 119.914 -0.372 0.000 2.255 242 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 242 V C 2.256 178.117 176.094 -0.388 0.000 1.051 242 V CA 2.514 64.479 62.300 -0.558 0.000 1.018 242 V CB -0.882 30.449 31.823 -0.820 0.000 0.641 242 V HN 0.658 nan 8.190 nan 0.000 0.445 243 H N -0.239 118.694 119.070 -0.228 0.000 2.352 243 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 243 H C 2.268 177.410 175.328 -0.311 0.000 1.097 243 H CA 1.934 57.862 56.048 -0.199 0.000 1.311 243 H CB 0.027 29.732 29.762 -0.096 0.000 1.377 243 H HN 0.452 nan 8.280 nan 0.000 0.504 244 N N -0.546 117.886 118.700 -0.446 0.000 2.333 244 N HA -0.074 4.666 4.740 -0.000 0.000 0.178 244 N C 1.748 176.921 175.510 -0.563 0.000 1.018 244 N CA 0.476 53.074 53.050 -0.753 0.000 0.882 244 N CB 0.250 37.719 38.487 -1.695 0.000 0.984 244 N HN 0.023 nan 8.380 nan 0.000 0.434 245 V N 1.004 120.708 119.914 -0.351 0.000 2.358 245 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 245 V C 2.291 178.423 176.094 0.064 0.000 1.047 245 V CA 1.808 64.098 62.300 -0.018 0.000 1.035 245 V CB -0.927 30.895 31.823 -0.001 0.000 0.658 245 V HN 0.330 nan 8.190 nan 0.000 0.452 246 A N -0.818 121.959 122.820 -0.071 0.000 1.892 246 A HA -0.339 3.981 4.320 -0.000 0.000 0.218 246 A C 2.250 179.886 177.584 0.087 0.000 1.188 246 A CA 2.279 54.305 52.037 -0.018 0.000 0.631 246 A CB -0.997 17.961 19.000 -0.071 0.000 0.822 246 A HN 0.697 nan 8.150 nan 0.000 0.447 247 H N -0.250 118.791 119.070 -0.049 0.000 2.352 247 H HA -0.087 4.468 4.556 -0.000 0.000 0.299 247 H C 2.309 177.633 175.328 -0.007 0.000 1.097 247 H CA 1.914 57.936 56.048 -0.045 0.000 1.311 247 H CB -0.045 29.642 29.762 -0.126 0.000 1.377 247 H HN 0.461 nan 8.280 nan 0.000 0.504 248 R N -0.564 119.996 120.500 0.100 0.000 2.120 248 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 248 R C 1.966 178.225 176.300 -0.068 0.000 1.123 248 R CA 1.146 57.268 56.100 0.038 0.000 0.975 248 R CB -0.277 30.080 30.300 0.094 0.000 0.866 248 R HN 0.243 nan 8.270 nan 0.000 0.446 249 F N -0.146 119.768 119.950 -0.061 0.000 2.811 249 F HA 0.143 4.670 4.527 -0.000 0.000 0.301 249 F C 1.634 177.392 175.800 -0.071 0.000 1.151 249 F CA 0.905 58.873 58.000 -0.054 0.000 1.412 249 F CB 0.264 39.238 39.000 -0.043 0.000 1.113 249 F HN 0.238 nan 8.300 nan 0.000 0.579 250 G N 0.042 108.840 108.800 -0.004 0.000 2.159 250 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.256 250 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.256 250 G C 0.692 175.589 174.900 -0.006 0.000 0.977 250 G CA -0.028 45.037 45.100 -0.057 0.000 0.652 250 G HN 0.231 nan 8.290 nan 0.000 0.531 251 K N -0.400 120.024 120.400 0.040 0.000 2.240 251 K HA 0.729 5.049 4.320 -0.000 0.000 0.237 251 K C -0.299 176.336 176.600 0.059 0.000 1.027 251 K CA -0.044 56.283 56.287 0.066 0.000 0.937 251 K CB 1.456 34.000 32.500 0.074 0.000 1.171 251 K HN 0.182 nan 8.250 nan 0.000 0.479 252 T N -0.360 114.254 114.554 0.100 0.000 2.937 252 T HA 0.572 4.921 4.350 -0.000 0.000 0.297 252 T C -1.417 173.324 174.700 0.069 0.000 0.991 252 T CA -0.577 61.592 62.100 0.116 0.000 0.990 252 T CB 0.934 69.901 68.868 0.165 0.000 0.991 252 T HN 0.568 nan 8.240 nan 0.000 0.440 253 A N 3.357 126.203 122.820 0.044 0.000 2.312 253 A HA 0.826 5.146 4.320 -0.000 0.000 0.328 253 A C 0.182 177.766 177.584 -0.000 0.000 1.158 253 A CA -0.643 51.359 52.037 -0.059 0.000 0.821 253 A CB 1.463 20.338 19.000 -0.208 0.000 1.170 253 A HN 0.834 nan 8.150 nan 0.000 0.490 254 T N 0.488 114.948 114.554 -0.157 0.000 2.952 254 T HA 0.542 4.892 4.350 -0.000 0.000 0.305 254 T C -0.882 173.711 174.700 -0.178 0.000 1.064 254 T CA -0.284 61.799 62.100 -0.029 0.000 1.008 254 T CB 0.310 69.236 68.868 0.097 0.000 1.078 254 T HN 0.358 nan 8.240 nan 0.000 0.459 255 F N 3.783 123.875 119.950 0.237 0.000 2.660 255 F HA 0.352 4.879 4.527 -0.000 0.000 0.302 255 F C 1.245 177.164 175.800 0.198 0.000 1.103 255 F CA -0.605 57.520 58.000 0.209 0.000 1.340 255 F CB -0.031 39.064 39.000 0.157 0.000 1.048 255 F HN 0.510 nan 8.300 nan 0.000 0.551 256 M N -0.126 119.647 119.600 0.289 0.000 2.243 256 M HA 0.296 4.776 4.480 -0.000 0.000 0.341 256 M C -2.014 174.428 176.300 0.236 0.000 1.130 256 M CA -1.443 53.994 55.300 0.229 0.000 1.162 256 M CB 0.689 33.384 32.600 0.158 0.000 1.497 256 M HN -0.237 nan 8.290 nan 0.000 0.456 257 P HA -0.048 nan 4.420 nan 0.000 0.216 257 P C -0.283 177.140 177.300 0.204 0.000 1.153 257 P CA 1.543 64.756 63.100 0.189 0.000 0.848 257 P CB 0.154 31.927 31.700 0.121 0.000 0.787 258 K N -0.800 119.699 120.400 0.165 0.000 2.827 258 K HA 0.223 4.543 4.320 -0.000 0.000 0.186 258 K C -2.185 174.476 176.600 0.102 0.000 1.093 258 K CA -2.069 54.308 56.287 0.150 0.000 0.993 258 K CB 0.387 32.971 32.500 0.139 0.000 1.199 258 K HN -0.090 nan 8.250 nan 0.000 0.598 259 P HA -0.018 nan 4.420 nan 0.000 0.221 259 P C -0.177 177.106 177.300 -0.028 0.000 1.155 259 P CA 0.618 63.719 63.100 0.002 0.000 0.812 259 P CB 0.477 32.183 31.700 0.011 0.000 0.801 260 M N -0.565 119.019 119.600 -0.026 0.000 2.321 260 M HA 0.345 4.825 4.480 -0.000 0.000 0.315 260 M C -0.522 175.849 176.300 0.118 0.000 1.052 260 M CA -1.157 54.157 55.300 0.024 0.000 0.936 260 M CB 2.384 34.995 32.600 0.018 0.000 1.639 260 M HN -0.251 nan 8.290 nan 0.000 0.433 261 F N 2.195 122.153 119.950 0.014 0.000 2.443 261 F HA 0.547 5.074 4.527 0.000 0.000 0.353 261 F C 1.054 176.886 175.800 0.052 0.000 1.101 261 F CA 1.236 59.259 58.000 0.039 0.000 1.226 261 F CB 0.846 39.864 39.000 0.029 0.000 1.140 261 F HN 0.818 nan 8.300 nan 0.000 0.557 262 G N 2.949 111.261 108.800 -0.814 0.000 2.159 262 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.227 262 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.227 262 G C -0.623 174.176 174.900 -0.167 0.000 0.986 262 G CA 0.117 44.889 45.100 -0.546 0.000 0.651 262 G HN 0.866 nan 8.290 nan 0.000 0.523 263 D N -0.723 119.631 120.400 -0.077 0.000 2.643 263 D HA 0.296 4.936 4.640 -0.000 0.000 0.283 263 D C -0.167 176.197 176.300 0.108 0.000 1.242 263 D CA -0.618 53.415 54.000 0.055 0.000 0.863 263 D CB 0.519 41.417 40.800 0.162 0.000 1.382 263 D HN 0.045 nan 8.370 nan 0.000 0.444 264 N N -0.442 118.356 118.700 0.163 0.000 2.294 264 N HA 0.175 4.915 4.740 -0.000 0.000 0.248 264 N C -0.074 175.616 175.510 0.300 0.000 1.242 264 N CA 0.715 53.878 53.050 0.189 0.000 0.848 264 N CB 0.408 38.994 38.487 0.164 0.000 1.084 264 N HN 0.361 nan 8.380 nan 0.000 0.457 265 G N 0.613 109.549 108.800 0.228 0.000 2.434 265 G HA2 0.280 4.240 3.960 -0.000 0.000 0.330 265 G HA3 0.280 4.240 3.960 -0.000 0.000 0.330 265 G C -0.862 174.185 174.900 0.246 0.000 1.155 265 G CA -0.458 44.806 45.100 0.273 0.000 0.917 265 G HN 0.467 nan 8.290 nan 0.000 0.493 266 S N -0.160 115.713 115.700 0.289 0.000 2.411 266 S HA 0.561 5.031 4.470 -0.000 0.000 0.294 266 S C 0.662 175.387 174.600 0.208 0.000 1.115 266 S CA -0.352 57.972 58.200 0.206 0.000 1.071 266 S CB 0.933 64.282 63.200 0.249 0.000 0.967 266 S HN 0.900 nan 8.310 nan 0.000 0.488 267 G N 2.036 110.957 108.800 0.202 0.000 2.471 267 G HA2 0.618 4.578 3.960 -0.000 0.000 0.332 267 G HA3 0.618 4.578 3.960 -0.000 0.000 0.332 267 G C -0.763 174.296 174.900 0.265 0.000 1.176 267 G CA -0.706 44.533 45.100 0.232 0.000 0.949 267 G HN 0.620 nan 8.290 nan 0.000 0.488 268 M N 2.324 122.076 119.600 0.253 0.000 2.065 268 M HA 0.277 4.757 4.480 -0.000 0.000 0.308 268 M C -0.782 175.679 176.300 0.268 0.000 0.939 268 M CA -0.481 54.959 55.300 0.233 0.000 0.890 268 M CB 0.070 32.766 32.600 0.161 0.000 1.383 268 M HN 0.654 nan 8.290 nan 0.000 0.381 269 H N 2.301 121.406 119.070 0.057 0.000 2.722 269 H HA 0.165 4.721 4.556 -0.000 0.000 0.328 269 H C -0.407 174.931 175.328 0.018 0.000 1.067 269 H CA -0.567 55.479 56.048 -0.004 0.000 1.447 269 H CB 0.848 30.577 29.762 -0.056 0.000 1.469 269 H HN 0.622 nan 8.280 nan 0.000 0.544 270 C N 5.253 124.607 119.300 0.090 0.000 2.246 270 C HA 0.116 4.576 4.460 -0.000 0.000 0.329 270 C C 0.709 175.679 174.990 -0.033 0.000 1.221 270 C CA -0.713 58.362 59.018 0.096 0.000 1.697 270 C CB -1.044 26.804 27.740 0.179 0.000 2.312 270 C HN 0.765 nan 8.230 nan 0.000 0.509 271 H N 3.515 122.564 119.070 -0.034 0.000 2.646 271 H HA 0.368 4.924 4.556 -0.000 0.000 0.325 271 H C -0.153 174.999 175.328 -0.293 0.000 1.075 271 H CA 0.542 56.525 56.048 -0.110 0.000 1.421 271 H CB 0.863 30.575 29.762 -0.083 0.000 1.461 271 H HN 0.574 nan 8.280 nan 0.000 0.525 272 M N 1.485 120.953 119.600 -0.221 0.000 2.530 272 M HA 0.303 4.783 4.480 -0.000 0.000 0.307 272 M C -0.297 175.698 176.300 -0.508 0.000 1.161 272 M CA -0.514 54.471 55.300 -0.526 0.000 0.903 272 M CB 2.537 34.777 32.600 -0.600 0.000 1.711 272 M HN 0.384 nan 8.290 nan 0.000 0.451 273 S N 1.724 116.948 115.700 -0.794 0.000 2.537 273 S HA 0.744 5.214 4.470 -0.000 0.000 0.270 273 S C -1.786 172.115 174.600 -1.164 0.000 1.142 273 S CA -0.710 56.802 58.200 -1.147 0.000 0.870 273 S CB 1.282 64.042 63.200 -0.733 0.000 1.112 273 S HN 0.668 nan 8.310 nan 0.000 0.466 274 L N 2.761 123.060 121.223 -1.541 0.000 2.334 274 L HA 0.914 5.254 4.340 -0.000 0.000 0.276 274 L C -0.175 176.434 176.870 -0.435 0.000 1.014 274 L CA -0.645 53.736 54.840 -0.765 0.000 0.815 274 L CB 1.824 43.560 42.059 -0.538 0.000 1.268 274 L HN 0.800 nan 8.230 nan 0.000 0.428 275 A N 2.959 125.635 122.820 -0.240 0.000 2.427 275 A HA 0.676 4.996 4.320 -0.000 0.000 0.298 275 A C -1.238 176.304 177.584 -0.070 0.000 1.036 275 A CA -0.632 51.318 52.037 -0.145 0.000 0.701 275 A CB 1.784 20.700 19.000 -0.141 0.000 1.250 275 A HN 0.582 nan 8.150 nan 0.000 0.412 276 K N 1.829 122.202 120.400 -0.044 0.000 2.207 276 K HA 0.436 4.756 4.320 -0.000 0.000 0.255 276 K C -0.054 176.535 176.600 -0.018 0.000 0.941 276 K CA -0.456 55.820 56.287 -0.019 0.000 0.825 276 K CB 0.606 33.104 32.500 -0.003 0.000 1.119 276 K HN 0.608 nan 8.250 nan 0.000 0.430 277 N N 3.009 121.702 118.700 -0.011 0.000 2.745 277 N HA -0.245 4.495 4.740 -0.000 0.000 0.271 277 N C 0.378 175.880 175.510 -0.013 0.000 0.960 277 N CA 1.605 54.650 53.050 -0.009 0.000 0.833 277 N CB -1.204 37.280 38.487 -0.005 0.000 0.919 277 N HN 1.013 nan 8.380 nan 0.000 0.566 278 G N -1.423 107.366 108.800 -0.017 0.000 2.168 278 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.263 278 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.263 278 G C 0.218 175.100 174.900 -0.029 0.000 0.977 278 G CA 0.997 46.086 45.100 -0.019 0.000 0.659 278 G HN 1.006 nan 8.290 nan 0.000 0.533 279 T N -2.258 112.275 114.554 -0.035 0.000 2.841 279 T HA 0.578 4.928 4.350 -0.000 0.000 0.283 279 T C -0.398 174.266 174.700 -0.060 0.000 1.000 279 T CA -0.547 61.529 62.100 -0.040 0.000 0.977 279 T CB 2.075 70.928 68.868 -0.024 0.000 0.979 279 T HN 0.266 nan 8.240 nan 0.000 0.446 280 N N 2.476 121.134 118.700 -0.070 0.000 2.448 280 N HA 0.105 4.845 4.740 -0.000 0.000 0.250 280 N C 0.827 176.316 175.510 -0.034 0.000 1.136 280 N CA -0.899 52.093 53.050 -0.098 0.000 0.953 280 N CB -0.139 38.279 38.487 -0.114 0.000 1.251 280 N HN 0.551 nan 8.380 nan 0.000 0.502 281 L N 3.054 124.265 121.223 -0.020 0.000 2.189 281 L HA -0.127 4.213 4.340 -0.000 0.000 0.214 281 L C 1.413 178.429 176.870 0.243 0.000 1.097 281 L CA 1.217 56.111 54.840 0.090 0.000 0.764 281 L CB -0.648 41.485 42.059 0.124 0.000 0.900 281 L HN 0.516 nan 8.230 nan 0.000 0.436 282 F N -1.457 118.411 119.950 -0.137 0.000 2.558 282 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 282 F C 1.796 177.524 175.800 -0.120 0.000 1.119 282 F CA -0.316 57.594 58.000 -0.150 0.000 1.451 282 F CB -0.833 38.045 39.000 -0.203 0.000 1.091 282 F HN -0.098 nan 8.300 nan 0.000 0.563 283 S N -0.606 115.141 115.700 0.079 0.000 2.592 283 S HA 0.582 5.052 4.470 -0.000 0.000 0.271 283 S C 0.382 174.979 174.600 -0.006 0.000 1.326 283 S CA 0.357 58.563 58.200 0.010 0.000 1.024 283 S CB 0.674 63.868 63.200 -0.010 0.000 0.921 283 S HN 0.501 nan 8.310 nan 0.000 0.527 284 G N 2.969 111.755 108.800 -0.022 0.000 2.356 284 G HA2 0.226 4.186 3.960 -0.000 0.000 0.281 284 G HA3 0.226 4.186 3.960 -0.000 0.000 0.281 284 G C -0.758 174.127 174.900 -0.025 0.000 1.246 284 G CA 0.142 45.228 45.100 -0.023 0.000 0.889 284 G HN 0.623 nan 8.290 nan 0.000 0.486 285 D N 0.219 120.607 120.400 -0.020 0.000 2.306 285 D HA 0.207 4.847 4.640 -0.000 0.000 0.282 285 D C 0.601 176.897 176.300 -0.006 0.000 1.195 285 D CA 0.352 54.345 54.000 -0.011 0.000 0.955 285 D CB -0.574 40.225 40.800 -0.003 0.000 0.921 285 D HN 0.567 nan 8.370 nan 0.000 0.269 286 K N -1.107 119.300 120.400 0.013 0.000 2.402 286 K HA -0.308 4.012 4.320 -0.000 0.000 0.294 286 K C 0.124 176.786 176.600 0.103 0.000 1.526 286 K CA 0.629 56.945 56.287 0.048 0.000 0.866 286 K CB -1.812 30.692 32.500 0.008 0.000 0.934 286 K HN 0.589 nan 8.250 nan 0.000 0.920 287 Y N 1.207 121.517 120.300 0.016 0.000 2.721 287 Y HA 0.151 4.701 4.550 -0.000 0.000 0.329 287 Y C 1.062 176.975 175.900 0.023 0.000 1.211 287 Y CA 0.999 59.126 58.100 0.046 0.000 1.512 287 Y CB -0.305 38.236 38.460 0.134 0.000 1.249 287 Y HN 0.680 nan 8.280 nan 0.000 0.549 288 A N 4.326 126.870 122.820 -0.459 0.000 2.748 288 A HA -0.089 4.231 4.320 -0.000 0.000 0.297 288 A C 1.644 179.096 177.584 -0.220 0.000 1.508 288 A CA 1.574 53.327 52.037 -0.473 0.000 0.799 288 A CB -2.144 16.351 19.000 -0.842 0.000 1.011 288 A HN 2.500 nan 8.150 nan 0.000 0.500 289 G N -3.070 105.655 108.800 -0.124 0.000 2.176 289 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.253 289 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.253 289 G C 0.144 175.005 174.900 -0.064 0.000 0.979 289 G CA 0.414 45.468 45.100 -0.078 0.000 0.641 289 G HN 1.382 nan 8.290 nan 0.000 0.530 290 L N 1.599 122.779 121.223 -0.071 0.000 2.418 290 L HA 0.571 4.911 4.340 -0.000 0.000 0.265 290 L C 1.472 178.285 176.870 -0.094 0.000 1.143 290 L CA -0.076 54.711 54.840 -0.089 0.000 0.809 290 L CB 1.304 43.293 42.059 -0.117 0.000 1.124 290 L HN 0.424 nan 8.230 nan 0.000 0.456 291 S N -0.055 115.570 115.700 -0.124 0.000 2.645 291 S HA 0.105 4.575 4.470 -0.000 0.000 0.266 291 S C 0.717 175.186 174.600 -0.218 0.000 1.258 291 S CA -0.558 57.568 58.200 -0.124 0.000 0.990 291 S CB 1.553 64.706 63.200 -0.079 0.000 0.967 291 S HN 0.648 nan 8.310 nan 0.000 0.556 292 E N 0.374 120.447 120.200 -0.211 0.000 2.153 292 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 292 E C 2.038 178.274 176.600 -0.608 0.000 0.988 292 E CA 1.462 57.625 56.400 -0.396 0.000 0.811 292 E CB -0.376 29.187 29.700 -0.229 0.000 0.746 292 E HN 0.771 nan 8.360 nan 0.000 0.466 293 Q N -0.225 119.411 119.800 -0.273 0.000 2.061 293 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 293 Q C 1.989 177.848 176.000 -0.235 0.000 0.984 293 Q CA 2.198 57.936 55.803 -0.110 0.000 0.846 293 Q CB -0.517 28.232 28.738 0.019 0.000 0.902 293 Q HN 0.337 nan 8.270 nan 0.000 0.421 294 A N -0.287 122.252 122.820 -0.469 0.000 1.877 294 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 294 A C 1.951 179.170 177.584 -0.608 0.000 1.186 294 A CA 1.385 52.878 52.037 -0.907 0.000 0.620 294 A CB -0.776 17.683 19.000 -0.902 0.000 0.822 294 A HN 0.419 nan 8.150 nan 0.000 0.443 295 L N -1.293 119.592 121.223 -0.564 0.000 2.042 295 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 295 L C 2.420 179.021 176.870 -0.447 0.000 1.076 295 L CA 1.681 56.155 54.840 -0.610 0.000 0.749 295 L CB -1.067 40.584 42.059 -0.680 0.000 0.893 295 L HN 0.516 nan 8.230 nan 0.000 0.432 296 Y N -2.620 117.553 120.300 -0.211 0.000 2.293 296 Y HA -0.243 4.307 4.550 -0.000 0.000 0.291 296 Y C 2.476 178.325 175.900 -0.084 0.000 1.137 296 Y CA 0.472 58.498 58.100 -0.125 0.000 1.202 296 Y CB -1.256 37.179 38.460 -0.041 0.000 0.990 296 Y HN 0.167 nan 8.280 nan 0.000 0.537 297 Y N 0.292 120.546 120.300 -0.078 0.000 2.097 297 Y HA -0.271 4.279 4.550 -0.000 0.000 0.282 297 Y C 2.347 178.192 175.900 -0.092 0.000 1.152 297 Y CA 1.712 59.773 58.100 -0.066 0.000 1.136 297 Y CB -0.594 37.763 38.460 -0.172 0.000 0.975 297 Y HN 0.002 nan 8.280 nan 0.000 0.498 298 I N -0.399 120.158 120.570 -0.022 0.000 2.151 298 I HA -0.366 3.804 4.170 -0.000 0.000 0.243 298 I C 2.656 178.717 176.117 -0.093 0.000 1.080 298 I CA 1.605 62.846 61.300 -0.098 0.000 1.339 298 I CB -1.132 36.670 38.000 -0.330 0.000 1.039 298 I HN 0.402 nan 8.210 nan 0.000 0.409 299 G N 0.407 109.141 108.800 -0.110 0.000 2.442 299 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 299 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 299 G C 1.684 176.545 174.900 -0.066 0.000 1.141 299 G CA 0.942 46.007 45.100 -0.059 0.000 0.763 299 G HN 0.524 nan 8.290 nan 0.000 0.554 300 G N 0.245 109.005 108.800 -0.066 0.000 2.402 300 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.216 300 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.216 300 G C 1.783 176.655 174.900 -0.047 0.000 1.162 300 G CA 1.119 46.184 45.100 -0.058 0.000 0.777 300 G HN 0.313 nan 8.290 nan 0.000 0.539 301 V N 1.333 121.198 119.914 -0.082 0.000 2.233 301 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 301 V C 2.818 178.935 176.094 0.039 0.000 1.050 301 V CA 1.797 64.104 62.300 0.010 0.000 1.010 301 V CB -0.455 31.407 31.823 0.064 0.000 0.637 301 V HN 0.394 nan 8.190 nan 0.000 0.444 302 I N -0.062 120.519 120.570 0.018 0.000 2.208 302 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 302 I C 2.574 178.633 176.117 -0.096 0.000 1.097 302 I CA 1.975 63.276 61.300 0.002 0.000 1.363 302 I CB -0.453 37.558 38.000 0.019 0.000 1.051 302 I HN 0.293 nan 8.210 nan 0.000 0.413 303 K N 0.546 120.830 120.400 -0.193 0.000 2.103 303 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 303 K C 1.790 178.050 176.600 -0.566 0.000 1.048 303 K CA 1.700 57.749 56.287 -0.397 0.000 0.930 303 K CB -0.129 32.048 32.500 -0.538 0.000 0.716 303 K HN 0.438 nan 8.250 nan 0.000 0.444 304 H N -1.166 117.748 119.070 -0.261 0.000 2.594 304 H HA 0.336 4.892 4.556 -0.000 0.000 0.279 304 H C 1.453 176.695 175.328 -0.144 0.000 1.042 304 H CA 0.448 56.289 56.048 -0.346 0.000 1.177 304 H CB 0.526 29.727 29.762 -0.935 0.000 1.524 304 H HN 0.301 nan 8.280 nan 0.000 0.537 305 A N 2.036 124.850 122.820 -0.010 0.000 1.896 305 A HA -0.281 4.038 4.320 -0.000 0.000 0.220 305 A C 2.288 179.839 177.584 -0.055 0.000 1.206 305 A CA 1.946 53.975 52.037 -0.013 0.000 0.647 305 A CB -0.338 18.594 19.000 -0.113 0.000 0.828 305 A HN 0.306 nan 8.150 nan 0.000 0.455 306 K N -0.680 119.692 120.400 -0.047 0.000 2.147 306 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 306 K C 2.222 178.864 176.600 0.070 0.000 1.049 306 K CA 1.074 57.356 56.287 -0.008 0.000 0.936 306 K CB -0.300 32.193 32.500 -0.011 0.000 0.722 306 K HN 0.504 nan 8.250 nan 0.000 0.446 307 A N 1.259 124.152 122.820 0.122 0.000 1.929 307 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 307 A C 2.060 179.766 177.584 0.204 0.000 1.176 307 A CA 0.880 53.027 52.037 0.184 0.000 0.628 307 A CB -0.401 18.793 19.000 0.324 0.000 0.816 307 A HN 0.139 nan 8.150 nan 0.000 0.444 308 I N 0.245 120.965 120.570 0.249 0.000 2.208 308 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 308 I C 2.138 178.413 176.117 0.264 0.000 1.097 308 I CA 1.632 63.104 61.300 0.286 0.000 1.363 308 I CB -0.598 37.626 38.000 0.374 0.000 1.051 308 I HN 0.424 nan 8.210 nan 0.000 0.413 309 N N 0.833 119.649 118.700 0.193 0.000 2.137 309 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 309 N C 1.899 177.572 175.510 0.272 0.000 1.017 309 N CA 1.191 54.364 53.050 0.206 0.000 0.859 309 N CB -0.217 38.366 38.487 0.159 0.000 1.002 309 N HN 0.370 nan 8.380 nan 0.000 0.428 310 A N 0.265 123.229 122.820 0.240 0.000 2.076 310 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 310 A C 1.904 179.684 177.584 0.327 0.000 1.160 310 A CA 1.152 53.360 52.037 0.285 0.000 0.653 310 A CB -0.276 18.869 19.000 0.241 0.000 0.801 310 A HN 0.227 nan 8.150 nan 0.000 0.455 311 L N -2.553 118.789 121.223 0.198 0.000 2.467 311 L HA 0.223 4.563 4.340 -0.000 0.000 0.213 311 L C 2.617 179.594 176.870 0.179 0.000 1.053 311 L CA 0.731 55.650 54.840 0.132 0.000 0.847 311 L CB -0.120 41.929 42.059 -0.018 0.000 1.075 311 L HN 0.250 nan 8.230 nan 0.000 0.479 312 A N -0.063 122.889 122.820 0.219 0.000 2.123 312 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 312 A C 0.406 178.111 177.584 0.201 0.000 1.152 312 A CA 0.698 52.872 52.037 0.228 0.000 0.728 312 A CB -0.333 18.877 19.000 0.350 0.000 0.814 312 A HN 0.479 nan 8.150 nan 0.000 0.464 313 N N -0.467 118.343 118.700 0.184 0.000 2.703 313 N HA 0.199 4.939 4.740 -0.000 0.000 0.283 313 N C -2.582 173.012 175.510 0.140 0.000 1.851 313 N CA -0.758 52.328 53.050 0.059 0.000 0.826 313 N CB 1.562 39.959 38.487 -0.150 0.000 1.239 313 N HN 0.164 nan 8.380 nan 0.000 0.495 314 P HA 0.004 nan 4.420 nan 0.000 0.257 314 P C -0.353 177.066 177.300 0.198 0.000 1.281 314 P CA 0.483 63.733 63.100 0.249 0.000 0.826 314 P CB 0.141 32.010 31.700 0.283 0.000 1.237 315 T N -3.915 110.750 114.554 0.185 0.000 2.885 315 T HA 0.320 4.670 4.350 -0.000 0.000 0.285 315 T C 1.408 176.247 174.700 0.232 0.000 1.019 315 T CA -0.092 62.102 62.100 0.158 0.000 1.010 315 T CB 1.292 70.227 68.868 0.112 0.000 1.022 315 T HN -0.070 nan 8.240 nan 0.000 0.466 316 T N -0.061 114.607 114.554 0.190 0.000 2.737 316 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 316 T C 1.697 176.545 174.700 0.247 0.000 1.040 316 T CA 1.625 63.863 62.100 0.229 0.000 1.142 316 T CB -0.803 68.140 68.868 0.126 0.000 0.861 316 T HN 0.756 nan 8.240 nan 0.000 0.456 317 N N 0.806 119.600 118.700 0.155 0.000 2.272 317 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 317 N C 1.865 177.437 175.510 0.104 0.000 1.014 317 N CA 1.236 54.362 53.050 0.126 0.000 0.870 317 N CB -0.266 38.274 38.487 0.088 0.000 0.975 317 N HN 0.448 nan 8.380 nan 0.000 0.433 318 S N -0.093 115.635 115.700 0.048 0.000 2.387 318 S HA -0.149 4.321 4.470 -0.000 0.000 0.230 318 S C 1.284 175.707 174.600 -0.296 0.000 1.035 318 S CA 1.148 59.255 58.200 -0.155 0.000 1.014 318 S CB -0.364 62.625 63.200 -0.351 0.000 0.836 318 S HN 0.489 nan 8.310 nan 0.000 0.466 319 Y N 1.015 121.370 120.300 0.092 0.000 2.561 319 Y HA 0.130 4.680 4.550 -0.000 0.000 0.291 319 Y C 2.052 178.006 175.900 0.089 0.000 1.141 319 Y CA 0.384 58.531 58.100 0.079 0.000 1.303 319 Y CB -0.105 38.392 38.460 0.062 0.000 1.015 319 Y HN 0.021 nan 8.280 nan 0.000 0.547 320 K N 0.269 120.780 120.400 0.184 0.000 2.283 320 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 320 K C 2.098 178.782 176.600 0.140 0.000 1.048 320 K CA 0.793 57.183 56.287 0.171 0.000 0.948 320 K CB -0.059 32.547 32.500 0.176 0.000 0.742 320 K HN 0.230 nan 8.250 nan 0.000 0.458 321 R N 0.181 120.740 120.500 0.098 0.000 2.066 321 R HA 0.095 4.435 4.340 -0.000 0.000 0.224 321 R C 0.323 176.665 176.300 0.068 0.000 1.122 321 R CA 0.626 56.776 56.100 0.083 0.000 0.974 321 R CB 0.020 30.365 30.300 0.074 0.000 0.871 321 R HN 0.058 nan 8.270 nan 0.000 0.435 322 L N 3.671 124.920 121.223 0.042 0.000 2.533 322 L HA 0.181 4.521 4.340 -0.000 0.000 0.239 322 L C -0.626 176.303 176.870 0.100 0.000 1.376 322 L CA -0.634 54.239 54.840 0.056 0.000 1.240 322 L CB 0.438 42.503 42.059 0.011 0.000 1.487 322 L HN 0.089 nan 8.230 nan 0.000 0.419 323 V N -1.796 118.173 119.914 0.091 0.000 2.715 323 V HA 0.654 4.774 4.120 -0.000 0.000 0.310 323 V C -1.780 174.354 176.094 0.067 0.000 1.054 323 V CA -2.298 60.057 62.300 0.092 0.000 0.928 323 V CB 0.790 32.678 31.823 0.108 0.000 1.007 323 V HN 0.210 nan 8.190 nan 0.000 0.437 330 V N -3.420 116.523 119.914 0.048 0.000 2.878 330 V HA 0.220 4.340 4.120 -0.000 0.000 0.250 330 V C 1.034 177.137 176.094 0.016 0.000 1.075 330 V CA 0.520 62.837 62.300 0.028 0.000 1.096 330 V CB -0.407 31.433 31.823 0.028 0.000 0.724 330 V HN 0.216 nan 8.190 nan 0.000 0.467 331 M N 2.355 121.972 119.600 0.028 0.000 2.364 331 M HA 0.303 4.783 4.480 -0.000 0.000 0.342 331 M C -0.458 175.867 176.300 0.042 0.000 1.601 331 M CA -0.294 55.020 55.300 0.023 0.000 1.156 331 M CB 0.263 32.873 32.600 0.018 0.000 1.912 331 M HN 0.122 nan 8.290 nan 0.000 0.460 332 L N 4.652 125.892 121.223 0.029 0.000 2.505 332 L HA 0.412 4.752 4.340 -0.000 0.000 0.279 332 L C 0.143 177.052 176.870 0.066 0.000 1.211 332 L CA -0.036 54.838 54.840 0.058 0.000 1.059 332 L CB -1.823 40.249 42.059 0.022 0.000 1.340 332 L HN 0.773 nan 8.230 nan 0.000 0.447 333 A N 3.489 126.363 122.820 0.089 0.000 2.547 333 A HA 0.660 4.980 4.320 -0.000 0.000 0.297 333 A C -1.284 176.379 177.584 0.132 0.000 1.056 333 A CA -0.702 51.377 52.037 0.070 0.000 0.688 333 A CB 1.052 20.041 19.000 -0.018 0.000 1.282 333 A HN 0.390 nan 8.150 nan 0.000 0.400 334 Y N 0.145 120.439 120.300 -0.011 0.000 2.352 334 Y HA 0.875 5.425 4.550 -0.000 0.000 0.326 334 Y C 0.203 176.112 175.900 0.014 0.000 1.166 334 Y CA -1.085 57.022 58.100 0.010 0.000 1.182 334 Y CB 1.496 39.961 38.460 0.007 0.000 1.216 334 Y HN 0.998 nan 8.280 nan 0.000 0.474 335 S N 0.750 116.566 115.700 0.194 0.000 2.558 335 S HA 0.616 5.086 4.470 -0.000 0.000 0.277 335 S C -0.176 174.593 174.600 0.281 0.000 1.143 335 S CA -0.172 58.145 58.200 0.195 0.000 0.865 335 S CB 0.939 64.167 63.200 0.046 0.000 1.102 335 S HN 1.308 nan 8.310 nan 0.000 0.454 336 A N 2.937 125.958 122.820 0.336 0.000 2.030 336 A HA 0.275 4.595 4.320 -0.000 0.000 0.215 336 A C 1.828 179.466 177.584 0.089 0.000 1.164 336 A CA 0.642 52.751 52.037 0.120 0.000 0.697 336 A CB -0.250 18.719 19.000 -0.051 0.000 0.827 336 A HN 0.671 nan 8.150 nan 0.000 0.457 337 R N 0.213 120.782 120.500 0.115 0.000 2.041 337 R HA 0.085 4.425 4.340 -0.000 0.000 0.221 337 R C 0.670 176.996 176.300 0.043 0.000 1.196 337 R CA 0.781 56.919 56.100 0.064 0.000 0.969 337 R CB -0.889 29.447 30.300 0.060 0.000 0.858 337 R HN 0.426 nan 8.270 nan 0.000 0.444 338 N N 2.555 121.274 118.700 0.033 0.000 2.416 338 N HA -0.079 4.661 4.740 -0.000 0.000 0.291 338 N C -0.788 174.737 175.510 0.025 0.000 1.257 338 N CA 0.251 53.311 53.050 0.017 0.000 1.043 338 N CB 0.169 38.653 38.487 -0.004 0.000 1.441 338 N HN 0.040 nan 8.380 nan 0.000 0.490 339 R N 2.096 122.610 120.500 0.023 0.000 2.878 339 R HA 0.050 4.390 4.340 -0.000 0.000 0.239 339 R C 0.454 176.766 176.300 0.021 0.000 1.515 339 R CA 0.017 56.133 56.100 0.027 0.000 1.210 339 R CB -0.282 30.030 30.300 0.021 0.000 1.209 339 R HN 0.622 nan 8.270 nan 0.000 0.610 340 S N -0.369 115.346 115.700 0.025 0.000 1.946 340 S HA 0.021 4.491 4.470 -0.000 0.000 0.223 340 S C 0.110 174.728 174.600 0.029 0.000 0.832 340 S CA 0.225 58.438 58.200 0.022 0.000 1.453 340 S CB -0.041 63.165 63.200 0.011 0.000 0.947 340 S HN 0.441 nan 8.310 nan 0.000 0.408 341 A N 2.457 125.295 122.820 0.031 0.000 2.454 341 A HA 0.583 4.903 4.320 -0.000 0.000 0.260 341 A C 1.316 178.941 177.584 0.069 0.000 1.106 341 A CA 0.422 52.487 52.037 0.046 0.000 0.780 341 A CB 0.244 19.268 19.000 0.040 0.000 1.044 341 A HN 1.182 nan 8.150 nan 0.000 0.498 342 S N 2.358 118.119 115.700 0.103 0.000 2.515 342 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 342 S C 0.525 175.193 174.600 0.113 0.000 0.987 342 S CA 0.491 58.779 58.200 0.147 0.000 0.936 342 S CB -0.236 63.157 63.200 0.322 0.000 0.766 342 S HN 0.524 nan 8.310 nan 0.000 0.528 343 I N 2.885 123.527 120.570 0.119 0.000 2.371 343 I HA 0.398 4.568 4.170 -0.000 0.000 0.282 343 I C 0.156 176.339 176.117 0.111 0.000 1.031 343 I CA -0.368 60.994 61.300 0.103 0.000 1.180 343 I CB 0.892 38.986 38.000 0.156 0.000 1.336 343 I HN 0.283 nan 8.210 nan 0.000 0.467 344 R N 6.917 127.453 120.500 0.060 0.000 2.312 344 R HA 0.484 4.824 4.340 -0.000 0.000 0.311 344 R C -0.980 175.367 176.300 0.079 0.000 1.004 344 R CA -0.598 55.548 56.100 0.076 0.000 0.902 344 R CB 1.308 31.637 30.300 0.049 0.000 1.073 344 R HN 0.370 nan 8.270 nan 0.000 0.457 345 I N 6.810 127.450 120.570 0.118 0.000 2.287 345 I HA 0.279 4.448 4.170 -0.000 0.000 0.290 345 I C -2.112 174.033 176.117 0.047 0.000 1.069 345 I CA -3.041 58.309 61.300 0.083 0.000 1.237 345 I CB 0.742 38.806 38.000 0.106 0.000 1.418 345 I HN 0.492 nan 8.210 nan 0.000 0.481 346 P HA 0.039 nan 4.420 nan 0.000 0.267 346 P C -0.003 177.307 177.300 0.016 0.000 1.205 346 P CA -0.172 62.969 63.100 0.068 0.000 0.765 346 P CB 0.585 32.371 31.700 0.143 0.000 0.828 347 V N 5.270 125.186 119.914 0.004 0.000 2.302 347 V HA -0.040 4.080 4.120 -0.000 0.000 0.244 347 V C 1.740 177.825 176.094 -0.014 0.000 1.160 347 V CA 0.444 62.730 62.300 -0.023 0.000 1.127 347 V CB 0.248 32.057 31.823 -0.023 0.000 1.253 347 V HN 0.476 nan 8.190 nan 0.000 0.496 348 V N 5.079 124.980 119.914 -0.023 0.000 2.427 348 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 348 V C 2.154 178.233 176.094 -0.025 0.000 1.051 348 V CA 2.468 64.754 62.300 -0.024 0.000 1.048 348 V CB 0.073 31.875 31.823 -0.034 0.000 0.666 348 V HN 1.175 nan 8.190 nan 0.000 0.456 349 A N -1.073 121.728 122.820 -0.031 0.000 2.066 349 A HA -0.343 3.977 4.320 -0.000 0.000 0.231 349 A C 1.524 179.093 177.584 -0.026 0.000 0.465 349 A CA 1.814 53.834 52.037 -0.029 0.000 1.110 349 A CB -2.185 16.802 19.000 -0.021 0.000 1.434 349 A HN 0.887 nan 8.150 nan 0.000 0.706 350 S N 0.230 115.916 115.700 -0.024 0.000 2.658 350 S HA 0.345 4.815 4.470 -0.000 0.000 0.249 350 S C -0.188 174.395 174.600 -0.029 0.000 1.363 350 S CA 0.005 58.191 58.200 -0.023 0.000 0.964 350 S CB 0.282 63.469 63.200 -0.021 0.000 0.973 350 S HN 0.592 nan 8.310 nan 0.000 0.588 351 P HA 0.170 nan 4.420 nan 0.000 0.214 351 P C -0.312 176.967 177.300 -0.035 0.000 1.152 351 P CA 1.173 64.256 63.100 -0.029 0.000 0.874 351 P CB 0.065 31.750 31.700 -0.025 0.000 0.782 352 K N -2.183 118.191 120.400 -0.044 0.000 2.652 352 K HA 0.426 4.746 4.320 -0.000 0.000 0.169 352 K C 0.743 177.292 176.600 -0.085 0.000 1.238 352 K CA 0.260 56.514 56.287 -0.054 0.000 1.147 352 K CB -0.872 31.600 32.500 -0.047 0.000 0.985 352 K HN -0.013 nan 8.250 nan 0.000 0.508 353 A N 1.099 123.868 122.820 -0.086 0.000 2.281 353 A HA 0.177 4.497 4.320 -0.000 0.000 0.231 353 A C 0.438 177.958 177.584 -0.107 0.000 1.317 353 A CA -0.120 51.843 52.037 -0.124 0.000 0.959 353 A CB -0.488 18.454 19.000 -0.096 0.000 0.900 353 A HN 0.230 nan 8.150 nan 0.000 0.497 354 R N 1.680 122.135 120.500 -0.075 0.000 2.522 354 R HA 0.282 4.622 4.340 -0.000 0.000 0.284 354 R C 0.481 176.773 176.300 -0.013 0.000 1.032 354 R CA 0.737 56.816 56.100 -0.035 0.000 1.049 354 R CB 0.082 30.374 30.300 -0.013 0.000 0.956 354 R HN 0.723 nan 8.270 nan 0.000 0.422 355 R N 3.791 124.310 120.500 0.032 0.000 2.716 355 R HA 0.403 4.743 4.340 -0.000 0.000 0.271 355 R C -0.948 175.425 176.300 0.122 0.000 1.028 355 R CA -1.012 55.141 56.100 0.088 0.000 0.883 355 R CB 0.606 30.890 30.300 -0.027 0.000 1.250 355 R HN 0.549 nan 8.270 nan 0.000 0.465 356 I N -1.947 118.711 120.570 0.146 0.000 2.577 356 I HA 0.550 4.720 4.170 -0.000 0.000 0.305 356 I C -0.578 175.546 176.117 0.012 0.000 0.986 356 I CA -0.687 60.649 61.300 0.059 0.000 1.189 356 I CB 1.968 39.984 38.000 0.026 0.000 1.355 356 I HN 0.703 nan 8.210 nan 0.000 0.476 357 E N 4.306 124.471 120.200 -0.058 0.000 2.182 357 E HA 0.405 4.755 4.350 -0.000 0.000 0.258 357 E C -1.622 174.880 176.600 -0.164 0.000 0.879 357 E CA -0.752 55.505 56.400 -0.240 0.000 0.754 357 E CB 2.119 31.561 29.700 -0.429 0.000 1.162 357 E HN 0.619 nan 8.360 nan 0.000 0.419 358 V N 6.349 126.151 119.914 -0.187 0.000 2.368 358 V HA 0.186 4.306 4.120 -0.000 0.000 0.266 358 V C 1.301 177.174 176.094 -0.367 0.000 1.045 358 V CA -0.101 62.037 62.300 -0.270 0.000 0.899 358 V CB 0.908 32.504 31.823 -0.378 0.000 1.006 358 V HN 0.723 nan 8.190 nan 0.000 0.470 359 R N 3.502 123.795 120.500 -0.346 0.000 2.236 359 R HA -0.029 4.311 4.340 -0.000 0.000 0.208 359 R C 1.735 177.753 176.300 -0.470 0.000 1.036 359 R CA 0.902 56.636 56.100 -0.610 0.000 1.001 359 R CB -0.080 29.967 30.300 -0.422 0.000 0.896 359 R HN 0.863 nan 8.270 nan 0.000 0.464 360 F N 0.666 120.514 119.950 -0.170 0.000 2.456 360 F HA 0.302 4.828 4.527 -0.000 0.000 0.298 360 F C -1.719 174.059 175.800 -0.038 0.000 1.104 360 F CA -1.591 56.354 58.000 -0.091 0.000 1.435 360 F CB -1.670 37.313 39.000 -0.028 0.000 1.078 360 F HN -0.214 nan 8.300 nan 0.000 0.546 361 P HA 0.209 nan 4.420 nan 0.000 0.273 361 P C -1.143 176.234 177.300 0.128 0.000 1.250 361 P CA -0.068 63.120 63.100 0.146 0.000 0.793 361 P CB 0.699 32.449 31.700 0.083 0.000 1.011 362 D N -2.110 118.368 120.400 0.130 0.000 2.581 362 D HA 0.329 4.969 4.640 -0.000 0.000 0.232 362 D C -2.517 173.864 176.300 0.135 0.000 1.143 362 D CA -2.091 51.992 54.000 0.138 0.000 0.881 362 D CB -0.017 40.856 40.800 0.123 0.000 1.500 362 D HN -0.023 nan 8.370 nan 0.000 0.458 363 P HA -0.116 nan 4.420 nan 0.000 0.222 363 P C 0.987 178.355 177.300 0.113 0.000 1.142 363 P CA 1.663 64.855 63.100 0.153 0.000 0.788 363 P CB 0.047 31.973 31.700 0.376 0.000 0.767 364 A N -0.698 122.208 122.820 0.143 0.000 2.119 364 A HA 0.231 4.551 4.320 -0.000 0.000 0.217 364 A C 1.304 178.940 177.584 0.086 0.000 1.153 364 A CA 0.559 52.671 52.037 0.125 0.000 0.692 364 A CB -1.050 18.029 19.000 0.133 0.000 0.799 364 A HN 0.249 nan 8.150 nan 0.000 0.458 365 A N 0.732 123.589 122.820 0.061 0.000 2.462 365 A HA 0.327 4.647 4.320 -0.000 0.000 0.243 365 A C 0.429 177.995 177.584 -0.031 0.000 1.076 365 A CA -0.402 51.660 52.037 0.042 0.000 0.773 365 A CB -0.100 18.917 19.000 0.029 0.000 1.010 365 A HN 0.368 nan 8.150 nan 0.000 0.493 366 N N 3.402 122.111 118.700 0.015 0.000 2.416 366 N HA 0.071 4.811 4.740 -0.000 0.000 0.265 366 N C -1.429 173.952 175.510 -0.214 0.000 1.195 366 N CA -1.757 51.288 53.050 -0.009 0.000 0.943 366 N CB 1.000 39.564 38.487 0.127 0.000 1.115 366 N HN 0.343 nan 8.380 nan 0.000 0.481 367 P HA -0.144 nan 4.420 nan 0.000 0.218 367 P C 0.704 177.354 177.300 -1.083 0.000 1.149 367 P CA 1.315 63.791 63.100 -1.040 0.000 0.817 367 P CB 0.116 31.254 31.700 -0.937 0.000 0.785 368 Y N 0.538 120.617 120.300 -0.368 0.000 2.070 368 Y HA -0.123 4.427 4.550 -0.000 0.000 0.279 368 Y C 2.825 178.636 175.900 -0.149 0.000 1.134 368 Y CA 1.173 59.151 58.100 -0.204 0.000 1.113 368 Y CB -1.708 36.696 38.460 -0.092 0.000 0.981 368 Y HN -0.252 nan 8.280 nan 0.000 0.487 369 L N -1.179 120.103 121.223 0.097 0.000 2.079 369 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 369 L C 2.685 179.625 176.870 0.117 0.000 1.081 369 L CA 1.247 56.169 54.840 0.137 0.000 0.752 369 L CB -0.875 41.261 42.059 0.129 0.000 0.896 369 L HN 0.468 nan 8.230 nan 0.000 0.433 370 C N 0.156 119.439 119.300 -0.028 0.000 2.432 370 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 370 C C 2.824 177.928 174.990 0.190 0.000 1.249 370 C CA 0.447 59.483 59.018 0.029 0.000 1.725 370 C CB -0.779 26.899 27.740 -0.105 0.000 2.028 370 C HN 0.452 nan 8.230 nan 0.000 0.477 371 F N 2.023 121.925 119.950 -0.079 0.000 2.146 371 F HA 0.087 4.614 4.527 0.000 0.000 0.298 371 F C 2.683 178.486 175.800 0.005 0.000 1.096 371 F CA 0.986 58.816 58.000 -0.284 0.000 1.275 371 F CB -1.769 36.658 39.000 -0.955 0.000 1.008 371 F HN 0.316 nan 8.300 nan 0.000 0.480 372 A N 0.459 123.416 122.820 0.228 0.000 1.873 372 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 372 A C 2.527 180.317 177.584 0.344 0.000 1.193 372 A CA 2.520 54.712 52.037 0.258 0.000 0.629 372 A CB -1.377 17.727 19.000 0.173 0.000 0.826 372 A HN 0.304 nan 8.150 nan 0.000 0.447 373 A N -0.819 122.208 122.820 0.346 0.000 1.908 373 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 373 A C 2.040 179.841 177.584 0.361 0.000 1.181 373 A CA 1.718 53.926 52.037 0.286 0.000 0.627 373 A CB -0.532 18.580 19.000 0.187 0.000 0.818 373 A HN 0.400 nan 8.150 nan 0.000 0.445 374 L N -0.416 121.043 121.223 0.393 0.000 2.042 374 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 374 L C 2.512 179.589 176.870 0.344 0.000 1.076 374 L CA 1.519 56.591 54.840 0.386 0.000 0.749 374 L CB -1.369 40.994 42.059 0.506 0.000 0.893 374 L HN 0.468 nan 8.230 nan 0.000 0.432 375 L N -1.065 120.444 121.223 0.477 0.000 1.961 375 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 375 L C 2.613 179.641 176.870 0.265 0.000 1.072 375 L CA 1.534 56.638 54.840 0.439 0.000 0.749 375 L CB -0.195 42.153 42.059 0.481 0.000 0.889 375 L HN 0.235 nan 8.230 nan 0.000 0.432 376 M N -0.150 119.608 119.600 0.264 0.000 2.143 376 M HA -0.221 4.259 4.480 -0.000 0.000 0.258 376 M C 2.432 178.882 176.300 0.250 0.000 1.071 376 M CA 1.976 57.408 55.300 0.221 0.000 1.088 376 M CB -1.798 30.889 32.600 0.145 0.000 1.360 376 M HN 0.402 nan 8.290 nan 0.000 0.404 377 A N 0.245 123.201 122.820 0.227 0.000 1.877 377 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 377 A C 2.506 179.975 177.584 -0.191 0.000 1.186 377 A CA 1.979 53.941 52.037 -0.125 0.000 0.620 377 A CB -1.453 17.461 19.000 -0.144 0.000 0.822 377 A HN 0.512 nan 8.150 nan 0.000 0.443 378 G N -0.189 108.351 108.800 -0.433 0.000 2.418 378 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 378 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 378 G C 1.562 176.230 174.900 -0.386 0.000 1.158 378 G CA 1.051 45.487 45.100 -1.108 0.000 0.771 378 G HN 0.423 nan 8.290 nan 0.000 0.545 379 L N 0.233 121.435 121.223 -0.034 0.000 2.005 379 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 379 L C 2.546 179.492 176.870 0.126 0.000 1.072 379 L CA 1.647 56.587 54.840 0.167 0.000 0.744 379 L CB -0.621 41.606 42.059 0.281 0.000 0.895 379 L HN 0.216 nan 8.230 nan 0.000 0.433 380 D N -0.042 120.420 120.400 0.103 0.000 2.239 380 D HA -0.181 4.459 4.640 -0.000 0.000 0.202 380 D C 2.032 178.373 176.300 0.069 0.000 0.993 380 D CA 1.356 55.416 54.000 0.099 0.000 0.874 380 D CB 0.017 40.869 40.800 0.087 0.000 0.922 380 D HN 0.308 nan 8.370 nan 0.000 0.464 381 G N 0.255 109.075 108.800 0.033 0.000 2.453 381 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 381 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 381 G C 1.712 176.644 174.900 0.053 0.000 1.201 381 G CA 0.714 45.831 45.100 0.027 0.000 0.784 381 G HN 0.337 nan 8.290 nan 0.000 0.545 382 I N 0.434 121.089 120.570 0.141 0.000 2.091 382 I HA -0.238 3.932 4.170 -0.000 0.000 0.239 382 I C 2.847 179.004 176.117 0.067 0.000 1.061 382 I CA 1.574 62.989 61.300 0.192 0.000 1.317 382 I CB -0.209 37.936 38.000 0.242 0.000 1.031 382 I HN 0.110 nan 8.210 nan 0.000 0.401 383 K N 0.396 120.843 120.400 0.078 0.000 2.228 383 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 383 K C 0.636 177.237 176.600 0.000 0.000 1.045 383 K CA 1.227 57.547 56.287 0.055 0.000 0.931 383 K CB -0.134 32.425 32.500 0.099 0.000 0.727 383 K HN 0.449 nan 8.250 nan 0.000 0.458 384 N N 0.271 118.945 118.700 -0.043 0.000 2.351 384 N HA -0.023 4.717 4.740 -0.000 0.000 0.254 384 N C -0.495 174.885 175.510 -0.216 0.000 1.241 384 N CA -0.032 52.966 53.050 -0.086 0.000 0.883 384 N CB 1.094 39.558 38.487 -0.039 0.000 1.202 384 N HN 0.029 nan 8.380 nan 0.000 0.512 385 K N 1.299 121.440 120.400 -0.431 0.000 2.975 385 K HA -0.179 4.141 4.320 -0.000 0.000 0.257 385 K C -0.440 175.724 176.600 -0.727 0.000 1.005 385 K CA 0.308 55.984 56.287 -1.019 0.000 0.738 385 K CB -1.510 30.618 32.500 -0.619 0.000 1.236 385 K HN 0.415 nan 8.250 nan 0.000 0.483 386 I N 2.999 123.374 120.570 -0.325 0.000 2.755 386 I HA -0.080 4.090 4.170 -0.000 0.000 0.303 386 I C 1.161 177.343 176.117 0.109 0.000 1.168 386 I CA 0.168 61.423 61.300 -0.074 0.000 1.588 386 I CB -0.390 37.580 38.000 -0.050 0.000 1.509 386 I HN 0.145 nan 8.210 nan 0.000 0.734 387 H N 8.925 128.063 119.070 0.113 0.000 2.975 387 H HA 0.083 4.639 4.556 -0.000 0.000 0.303 387 H C -1.355 174.056 175.328 0.137 0.000 1.023 387 H CA -1.388 54.831 56.048 0.285 0.000 1.473 387 H CB 1.352 31.273 29.762 0.264 0.000 1.498 387 H HN 0.409 nan 8.280 nan 0.000 0.549 388 P HA -0.068 nan 4.420 nan 0.000 0.213 388 P C 0.741 178.146 177.300 0.174 0.000 1.170 388 P CA 2.001 65.045 63.100 -0.092 0.000 0.898 388 P CB 0.793 32.275 31.700 -0.363 0.000 0.787 389 G N -1.118 107.858 108.800 0.293 0.000 2.152 389 G HA2 0.010 3.970 3.960 -0.000 0.000 0.058 389 G HA3 0.010 3.970 3.960 -0.000 0.000 0.058 389 G C -1.457 173.601 174.900 0.265 0.000 0.966 389 G CA -0.415 44.882 45.100 0.327 0.000 1.149 389 G HN 0.249 nan 8.290 nan 0.000 0.402 390 E N 1.034 121.236 120.200 0.003 0.000 2.314 390 E HA 0.561 4.911 4.350 -0.000 0.000 0.272 390 E C -2.798 173.444 176.600 -0.597 0.000 0.884 390 E CA -1.536 54.732 56.400 -0.221 0.000 0.753 390 E CB 2.298 31.916 29.700 -0.136 0.000 1.213 390 E HN 0.200 nan 8.360 nan 0.000 0.432 391 P HA 0.165 nan 4.420 nan 0.000 0.271 391 P C -0.307 176.723 177.300 -0.450 0.000 1.233 391 P CA -0.201 62.349 63.100 -0.917 0.000 0.764 391 P CB 0.316 31.334 31.700 -1.137 0.000 0.825 392 M N 3.457 122.857 119.600 -0.332 0.000 2.268 392 M HA 0.135 4.615 4.480 -0.000 0.000 0.349 392 M C 0.348 176.574 176.300 -0.124 0.000 1.485 392 M CA 0.929 56.124 55.300 -0.175 0.000 1.094 392 M CB -0.423 32.108 32.600 -0.114 0.000 1.843 392 M HN 0.364 nan 8.290 nan 0.000 0.460 408 P HA 0.333 nan 4.420 nan 0.000 0.274 408 P C -1.451 175.838 177.300 -0.020 0.000 1.231 408 P CA -0.087 63.002 63.100 -0.018 0.000 0.790 408 P CB 1.213 32.899 31.700 -0.023 0.000 0.951 409 Q N -0.045 119.738 119.800 -0.028 0.000 2.416 409 Q HA 0.453 4.793 4.340 -0.000 0.000 0.279 409 Q C -0.192 175.767 176.000 -0.068 0.000 1.101 409 Q CA -1.374 54.408 55.803 -0.035 0.000 0.830 409 Q CB 2.166 30.895 28.738 -0.016 0.000 1.402 409 Q HN 0.407 nan 8.270 nan 0.000 0.445 410 V N -0.742 119.108 119.914 -0.107 0.000 3.178 410 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 410 V C 0.368 176.432 176.094 -0.050 0.000 1.107 410 V CA -0.568 61.629 62.300 -0.172 0.000 1.195 410 V CB -0.271 31.390 31.823 -0.271 0.000 0.993 410 V HN 0.855 nan 8.190 nan 0.000 0.493 411 A N 2.731 125.543 122.820 -0.014 0.000 2.567 411 A HA 0.421 4.741 4.320 -0.000 0.000 0.240 411 A C 1.494 179.123 177.584 0.075 0.000 1.053 411 A CA 0.370 52.420 52.037 0.023 0.000 0.755 411 A CB -0.304 18.715 19.000 0.032 0.000 0.978 411 A HN 1.815 nan 8.150 nan 0.000 0.507 412 G N 1.063 109.852 108.800 -0.018 0.000 2.920 412 G HA2 0.357 4.317 3.960 -0.000 0.000 0.208 412 G HA3 0.357 4.317 3.960 -0.000 0.000 0.208 412 G C 0.488 175.302 174.900 -0.144 0.000 1.159 412 G CA 0.939 46.043 45.100 0.007 0.000 0.784 412 G HN 1.712 nan 8.290 nan 0.000 0.535 413 S N -1.964 113.411 115.700 -0.543 0.000 2.595 413 S HA 0.304 4.774 4.470 -0.000 0.000 0.270 413 S C 0.258 174.123 174.600 -1.225 0.000 1.145 413 S CA -0.605 57.059 58.200 -0.892 0.000 0.825 413 S CB 1.026 64.019 63.200 -0.345 0.000 1.107 413 S HN 0.052 nan 8.310 nan 0.000 0.461 414 L N 1.548 122.184 121.223 -0.979 0.000 2.083 414 L HA 0.081 4.421 4.340 -0.000 0.000 0.209 414 L C 2.499 179.255 176.870 -0.190 0.000 1.083 414 L CA 2.481 57.097 54.840 -0.372 0.000 0.752 414 L CB -0.848 41.203 42.059 -0.014 0.000 0.899 414 L HN 1.009 nan 8.230 nan 0.000 0.433 415 E N -0.671 119.428 120.200 -0.168 0.000 2.085 415 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 415 E C 2.083 178.632 176.600 -0.085 0.000 0.994 415 E CA 1.514 57.860 56.400 -0.091 0.000 0.801 415 E CB -0.105 29.550 29.700 -0.076 0.000 0.743 415 E HN 0.683 nan 8.360 nan 0.000 0.453 416 E N -0.064 120.056 120.200 -0.134 0.000 2.023 416 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 416 E C 2.004 178.567 176.600 -0.061 0.000 1.003 416 E CA 1.182 57.522 56.400 -0.099 0.000 0.809 416 E CB -0.211 29.412 29.700 -0.129 0.000 0.755 416 E HN 0.319 nan 8.360 nan 0.000 0.449 417 A N 1.130 123.901 122.820 -0.081 0.000 1.892 417 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 417 A C 2.255 179.876 177.584 0.062 0.000 1.188 417 A CA 1.643 53.696 52.037 0.026 0.000 0.631 417 A CB -0.869 18.199 19.000 0.114 0.000 0.822 417 A HN 0.337 nan 8.150 nan 0.000 0.447 418 L N -0.483 120.771 121.223 0.051 0.000 2.017 418 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 418 L C 2.418 179.317 176.870 0.049 0.000 1.073 418 L CA 1.382 56.266 54.840 0.073 0.000 0.745 418 L CB -0.815 41.274 42.059 0.050 0.000 0.894 418 L HN 0.385 nan 8.230 nan 0.000 0.432 419 N N 0.515 119.227 118.700 0.021 0.000 2.069 419 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 419 N C 1.885 177.411 175.510 0.028 0.000 1.031 419 N CA 1.717 54.777 53.050 0.017 0.000 0.852 419 N CB -0.407 38.081 38.487 0.001 0.000 1.018 419 N HN 0.345 nan 8.380 nan 0.000 0.423 420 A N 1.200 124.039 122.820 0.030 0.000 1.883 420 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 420 A C 2.305 179.933 177.584 0.073 0.000 1.186 420 A CA 1.193 53.258 52.037 0.046 0.000 0.624 420 A CB -0.850 18.175 19.000 0.042 0.000 0.822 420 A HN 0.260 nan 8.150 nan 0.000 0.444 421 L N 0.423 121.691 121.223 0.075 0.000 2.012 421 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 421 L C 2.031 178.916 176.870 0.026 0.000 1.073 421 L CA 2.906 57.779 54.840 0.056 0.000 0.748 421 L CB -0.689 41.396 42.059 0.042 0.000 0.891 421 L HN 0.536 nan 8.230 nan 0.000 0.431 422 D N -1.013 119.408 120.400 0.035 0.000 2.158 422 D HA -0.238 4.402 4.640 -0.000 0.000 0.197 422 D C 2.022 178.336 176.300 0.023 0.000 0.995 422 D CA 1.869 55.883 54.000 0.024 0.000 0.846 422 D CB -0.095 40.723 40.800 0.030 0.000 0.941 422 D HN 0.473 nan 8.370 nan 0.000 0.456 423 L N -0.741 120.504 121.223 0.036 0.000 2.249 423 L HA 0.080 4.420 4.340 -0.000 0.000 0.207 423 L C 1.294 178.204 176.870 0.066 0.000 1.090 423 L CA 0.589 55.454 54.840 0.040 0.000 0.802 423 L CB -0.053 42.027 42.059 0.035 0.000 0.947 423 L HN -0.013 nan 8.230 nan 0.000 0.453 424 D N 0.169 120.633 120.400 0.106 0.000 2.538 424 D HA -0.023 4.617 4.640 -0.000 0.000 0.234 424 D C 1.803 178.237 176.300 0.223 0.000 1.191 424 D CA 0.006 54.129 54.000 0.206 0.000 0.828 424 D CB 0.126 41.086 40.800 0.266 0.000 0.981 424 D HN -0.021 nan 8.370 nan 0.000 0.490 425 R N 0.066 120.597 120.500 0.052 0.000 2.159 425 R HA -0.178 4.161 4.340 -0.000 0.000 0.237 425 R C 1.392 177.606 176.300 -0.144 0.000 1.131 425 R CA 1.118 57.162 56.100 -0.092 0.000 0.982 425 R CB 0.248 30.512 30.300 -0.059 0.000 0.868 425 R HN 0.029 nan 8.270 nan 0.000 0.453 426 E N 0.226 120.423 120.200 -0.004 0.000 2.038 426 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 426 E C 1.615 178.188 176.600 -0.045 0.000 1.000 426 E CA 1.844 58.243 56.400 -0.001 0.000 0.803 426 E CB -0.473 29.274 29.700 0.077 0.000 0.750 426 E HN 0.523 nan 8.360 nan 0.000 0.448 427 F N -0.626 119.238 119.950 -0.143 0.000 2.269 427 F HA -0.083 4.444 4.527 -0.000 0.000 0.301 427 F C 1.540 177.209 175.800 -0.218 0.000 1.082 427 F CA 0.613 58.480 58.000 -0.221 0.000 1.360 427 F CB -0.472 38.232 39.000 -0.493 0.000 1.041 427 F HN -0.022 nan 8.300 nan 0.000 0.512 428 L N 1.147 121.674 121.223 -1.159 0.000 2.109 428 L HA -0.044 4.295 4.340 -0.000 0.000 0.207 428 L C 2.209 178.898 176.870 -0.301 0.000 1.086 428 L CA 1.441 55.770 54.840 -0.852 0.000 0.760 428 L CB -1.469 39.868 42.059 -1.204 0.000 0.910 428 L HN 0.253 nan 8.230 nan 0.000 0.437 429 K N 0.092 120.346 120.400 -0.244 0.000 2.439 429 K HA 0.086 4.406 4.320 -0.000 0.000 0.197 429 K C 0.962 177.490 176.600 -0.119 0.000 1.041 429 K CA 0.298 56.518 56.287 -0.113 0.000 0.970 429 K CB -0.164 32.285 32.500 -0.085 0.000 0.773 429 K HN 0.223 nan 8.250 nan 0.000 0.479 430 A N 1.439 124.149 122.820 -0.183 0.000 2.573 430 A HA 0.254 4.574 4.320 -0.000 0.000 0.250 430 A C 1.278 178.627 177.584 -0.391 0.000 1.049 430 A CA 0.790 52.687 52.037 -0.234 0.000 0.767 430 A CB -0.811 17.995 19.000 -0.324 0.000 0.965 430 A HN 0.550 nan 8.150 nan 0.000 0.514 431 G N 1.564 110.340 108.800 -0.040 0.000 2.203 431 G HA2 0.110 4.070 3.960 -0.000 0.000 0.263 431 G HA3 0.110 4.070 3.960 -0.000 0.000 0.263 431 G C 1.671 176.590 174.900 0.032 0.000 1.012 431 G CA 1.133 46.319 45.100 0.144 0.000 0.749 431 G HN 2.855 nan 8.290 nan 0.000 0.512 432 G N -2.806 105.975 108.800 -0.030 0.000 2.179 432 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.260 432 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.260 432 G C 0.609 175.466 174.900 -0.072 0.000 0.977 432 G CA 0.512 45.592 45.100 -0.034 0.000 0.641 432 G HN 1.714 nan 8.290 nan 0.000 0.533 433 V N 1.622 121.473 119.914 -0.105 0.000 2.458 433 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 433 V C 0.889 176.930 176.094 -0.087 0.000 1.009 433 V CA 0.982 63.189 62.300 -0.155 0.000 1.091 433 V CB -1.160 30.575 31.823 -0.147 0.000 0.960 433 V HN 0.819 nan 8.190 nan 0.000 0.476 434 F N 2.952 122.813 119.950 -0.148 0.000 2.130 434 F HA -0.159 4.368 4.527 -0.000 0.000 0.464 434 F C 0.761 176.473 175.800 -0.147 0.000 1.225 434 F CA 0.757 58.660 58.000 -0.161 0.000 1.505 434 F CB -1.391 37.485 39.000 -0.207 0.000 2.379 434 F HN 0.765 nan 8.300 nan 0.000 0.732 435 T N -1.283 113.295 114.554 0.041 0.000 2.847 435 T HA 0.306 4.656 4.350 -0.000 0.000 0.279 435 T C 1.112 175.821 174.700 0.015 0.000 0.984 435 T CA -0.312 61.788 62.100 0.001 0.000 0.988 435 T CB 1.561 70.402 68.868 -0.045 0.000 1.040 435 T HN 0.470 nan 8.240 nan 0.000 0.528 436 D N 0.822 121.219 120.400 -0.005 0.000 2.123 436 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 436 D C 1.903 178.209 176.300 0.009 0.000 0.992 436 D CA 1.550 55.548 54.000 -0.003 0.000 0.833 436 D CB -0.039 40.758 40.800 -0.005 0.000 0.954 436 D HN 0.725 nan 8.370 nan 0.000 0.455 437 E N 1.202 121.401 120.200 -0.001 0.000 2.085 437 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 437 E C 2.080 178.692 176.600 0.021 0.000 0.994 437 E CA 1.158 57.560 56.400 0.004 0.000 0.801 437 E CB -0.356 29.330 29.700 -0.023 0.000 0.743 437 E HN 0.241 nan 8.360 nan 0.000 0.453 438 A N 0.977 123.800 122.820 0.005 0.000 1.865 438 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 438 A C 2.317 179.984 177.584 0.137 0.000 1.191 438 A CA 1.597 53.663 52.037 0.049 0.000 0.623 438 A CB -0.823 18.201 19.000 0.040 0.000 0.826 438 A HN 0.202 nan 8.150 nan 0.000 0.444 439 I N -0.185 120.448 120.570 0.106 0.000 2.179 439 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 439 I C 1.959 178.149 176.117 0.121 0.000 1.088 439 I CA 1.629 62.973 61.300 0.073 0.000 1.357 439 I CB -0.620 37.356 38.000 -0.040 0.000 1.051 439 I HN 0.301 nan 8.210 nan 0.000 0.409 440 D N 1.172 121.621 120.400 0.082 0.000 2.123 440 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 440 D C 2.218 178.580 176.300 0.103 0.000 0.992 440 D CA 1.671 55.719 54.000 0.080 0.000 0.833 440 D CB -0.159 40.671 40.800 0.051 0.000 0.954 440 D HN 0.373 nan 8.370 nan 0.000 0.455 441 A N 0.054 122.947 122.820 0.122 0.000 1.930 441 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 441 A C 2.156 179.834 177.584 0.156 0.000 1.175 441 A CA 1.059 53.175 52.037 0.132 0.000 0.627 441 A CB -0.918 18.174 19.000 0.153 0.000 0.815 441 A HN 0.293 nan 8.150 nan 0.000 0.443 442 Y N 0.652 121.006 120.300 0.089 0.000 2.070 442 Y HA -0.239 4.311 4.550 0.000 0.000 0.280 442 Y C 2.075 178.016 175.900 0.070 0.000 1.148 442 Y CA 2.045 60.201 58.100 0.094 0.000 1.125 442 Y CB -0.359 38.161 38.460 0.101 0.000 0.975 442 Y HN 0.260 nan 8.280 nan 0.000 0.492 443 I N 0.154 120.836 120.570 0.187 0.000 2.194 443 I HA -0.402 3.768 4.170 -0.000 0.000 0.246 443 I C 2.677 178.783 176.117 -0.018 0.000 1.093 443 I CA 1.280 62.620 61.300 0.068 0.000 1.355 443 I CB -0.888 37.179 38.000 0.112 0.000 1.046 443 I HN 0.400 nan 8.210 nan 0.000 0.413 444 A N 1.140 123.966 122.820 0.010 0.000 1.892 444 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 444 A C 2.310 179.873 177.584 -0.035 0.000 1.188 444 A CA 1.660 53.696 52.037 -0.000 0.000 0.631 444 A CB -0.922 18.094 19.000 0.027 0.000 0.822 444 A HN 0.383 nan 8.150 nan 0.000 0.447 445 L N -1.739 119.443 121.223 -0.069 0.000 1.970 445 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 445 L C 2.814 179.602 176.870 -0.138 0.000 1.071 445 L CA 1.766 56.546 54.840 -0.099 0.000 0.751 445 L CB -0.516 41.463 42.059 -0.133 0.000 0.889 445 L HN 0.228 nan 8.230 nan 0.000 0.432 446 R N -0.176 120.174 120.500 -0.251 0.000 2.170 446 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 446 R C 2.280 178.533 176.300 -0.078 0.000 1.145 446 R CA 1.202 57.190 56.100 -0.187 0.000 0.984 446 R CB -0.457 29.683 30.300 -0.267 0.000 0.869 446 R HN 0.229 nan 8.270 nan 0.000 0.455 447 R N -0.311 120.153 120.500 -0.059 0.000 2.073 447 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 447 R C 2.026 178.315 176.300 -0.018 0.000 1.120 447 R CA 1.481 57.566 56.100 -0.026 0.000 0.967 447 R CB -0.132 30.159 30.300 -0.015 0.000 0.862 447 R HN 0.277 nan 8.270 nan 0.000 0.436 448 E N 0.474 120.662 120.200 -0.020 0.000 2.097 448 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 448 E C 1.538 178.133 176.600 -0.008 0.000 1.000 448 E CA 1.629 58.022 56.400 -0.011 0.000 0.804 448 E CB 0.162 29.855 29.700 -0.012 0.000 0.740 448 E HN 0.387 nan 8.360 nan 0.000 0.454 449 E N 0.103 120.294 120.200 -0.015 0.000 2.028 449 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 449 E C 1.922 178.524 176.600 0.004 0.000 0.988 449 E CA 1.300 57.697 56.400 -0.006 0.000 0.799 449 E CB -0.149 29.545 29.700 -0.010 0.000 0.755 449 E HN 0.269 nan 8.360 nan 0.000 0.447 450 D N 0.838 121.240 120.400 0.003 0.000 2.123 450 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 450 D C 1.523 177.828 176.300 0.008 0.000 0.992 450 D CA 1.461 55.466 54.000 0.009 0.000 0.833 450 D CB 0.014 40.813 40.800 -0.002 0.000 0.954 450 D HN 0.003 nan 8.370 nan 0.000 0.455 451 D N -0.466 119.937 120.400 0.004 0.000 2.104 451 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 451 D C 2.060 178.367 176.300 0.012 0.000 0.994 451 D CA 0.817 54.821 54.000 0.007 0.000 0.830 451 D CB -0.333 40.470 40.800 0.005 0.000 0.959 451 D HN 0.222 nan 8.370 nan 0.000 0.452 452 R N 0.526 121.032 120.500 0.011 0.000 2.091 452 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 452 R C 2.108 178.419 176.300 0.018 0.000 1.136 452 R CA 1.142 57.251 56.100 0.014 0.000 0.959 452 R CB -0.284 30.022 30.300 0.010 0.000 0.856 452 R HN 0.030 nan 8.270 nan 0.000 0.437 453 V N 0.629 120.554 119.914 0.019 0.000 2.427 453 V HA -0.184 3.935 4.120 -0.000 0.000 0.248 453 V C 2.490 178.609 176.094 0.041 0.000 1.051 453 V CA 2.050 64.367 62.300 0.028 0.000 1.048 453 V CB -0.606 31.238 31.823 0.035 0.000 0.666 453 V HN 0.376 nan 8.190 nan 0.000 0.456 454 R N -0.402 120.117 120.500 0.032 0.000 2.090 454 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 454 R C 2.143 178.463 176.300 0.034 0.000 1.110 454 R CA 1.378 57.497 56.100 0.031 0.000 0.973 454 R CB -0.096 30.214 30.300 0.017 0.000 0.869 454 R HN 0.440 nan 8.270 nan 0.000 0.440 455 M N -0.613 119.005 119.600 0.030 0.000 2.509 455 M HA 0.070 4.550 4.480 -0.000 0.000 0.250 455 M C 0.077 176.404 176.300 0.044 0.000 1.132 455 M CA 0.461 55.780 55.300 0.031 0.000 1.080 455 M CB 0.743 33.357 32.600 0.024 0.000 1.408 455 M HN -0.137 nan 8.290 nan 0.000 0.484 456 T N 4.106 118.691 114.554 0.050 0.000 2.728 456 T HA 0.266 4.616 4.350 -0.000 0.000 0.296 456 T C -2.160 172.597 174.700 0.095 0.000 0.940 456 T CA -1.075 61.063 62.100 0.063 0.000 1.013 456 T CB 0.603 69.497 68.868 0.043 0.000 0.912 456 T HN 0.128 nan 8.240 nan 0.000 0.484 457 P HA 0.021 nan 4.420 nan 0.000 0.264 457 P C -0.506 176.940 177.300 0.243 0.000 1.193 457 P CA -0.075 63.142 63.100 0.196 0.000 0.763 457 P CB 0.362 32.210 31.700 0.246 0.000 0.810 458 H N 4.987 124.151 119.070 0.156 0.000 2.548 458 H HA 0.141 4.697 4.556 -0.000 0.000 0.331 458 H C -1.101 174.358 175.328 0.218 0.000 1.093 458 H CA -1.578 54.551 56.048 0.134 0.000 1.367 458 H CB 1.024 30.830 29.762 0.074 0.000 1.455 458 H HN 0.248 nan 8.280 nan 0.000 0.519 459 P HA -0.264 nan 4.420 nan 0.000 0.215 459 P C 1.573 179.097 177.300 0.374 0.000 1.163 459 P CA 2.047 65.335 63.100 0.314 0.000 0.894 459 P CB -0.198 31.559 31.700 0.094 0.000 0.791 460 V N -1.672 118.459 119.914 0.361 0.000 3.026 460 V HA -0.187 3.933 4.120 -0.000 0.000 0.265 460 V C 1.997 178.069 176.094 -0.036 0.000 1.121 460 V CA 1.602 63.923 62.300 0.037 0.000 1.142 460 V CB -1.549 30.166 31.823 -0.181 0.000 0.730 460 V HN 0.082 nan 8.190 nan 0.000 0.503 461 E N 0.092 120.325 120.200 0.056 0.000 2.106 461 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 461 E C 1.902 178.458 176.600 -0.074 0.000 0.984 461 E CA 1.602 57.993 56.400 -0.015 0.000 0.806 461 E CB -0.289 29.469 29.700 0.097 0.000 0.750 461 E HN 0.715 nan 8.360 nan 0.000 0.458 462 F N 1.432 121.430 119.950 0.080 0.000 2.186 462 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 462 F C 2.398 178.221 175.800 0.038 0.000 1.090 462 F CA 1.119 59.179 58.000 0.100 0.000 1.307 462 F CB -0.123 38.901 39.000 0.041 0.000 1.019 462 F HN 0.010 nan 8.300 nan 0.000 0.489 463 E N 0.028 120.304 120.200 0.126 0.000 2.077 463 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 463 E C 2.060 178.606 176.600 -0.090 0.000 0.989 463 E CA 1.003 57.409 56.400 0.010 0.000 0.800 463 E CB -0.062 29.620 29.700 -0.031 0.000 0.746 463 E HN 0.200 nan 8.360 nan 0.000 0.452 464 L N -0.610 120.453 121.223 -0.267 0.000 2.095 464 L HA -0.089 4.251 4.340 -0.000 0.000 0.204 464 L C 1.248 177.818 176.870 -0.500 0.000 1.080 464 L CA 1.560 56.063 54.840 -0.563 0.000 0.759 464 L CB -0.232 41.161 42.059 -1.111 0.000 0.914 464 L HN 0.249 nan 8.230 nan 0.000 0.439 465 Y N -4.357 115.929 120.300 -0.024 0.000 2.527 465 Y HA 0.116 4.666 4.550 -0.000 0.000 0.247 465 Y C 1.746 177.624 175.900 -0.036 0.000 1.138 465 Y CA -1.142 56.924 58.100 -0.056 0.000 1.228 465 Y CB -0.832 37.557 38.460 -0.119 0.000 1.252 465 Y HN 0.034 nan 8.280 nan 0.000 0.531 466 Y N 0.842 121.162 120.300 0.033 0.000 2.181 466 Y HA -0.165 4.384 4.550 -0.000 0.000 0.288 466 Y C 1.863 177.796 175.900 0.055 0.000 1.146 466 Y CA 1.776 59.908 58.100 0.054 0.000 1.164 466 Y CB -0.040 38.506 38.460 0.143 0.000 0.982 466 Y HN -0.090 nan 8.280 nan 0.000 0.515 467 S N -0.092 115.666 115.700 0.098 0.000 2.763 467 S HA 0.124 4.594 4.470 -0.000 0.000 0.237 467 S C 0.428 175.017 174.600 -0.018 0.000 0.966 467 S CA -0.168 58.037 58.200 0.009 0.000 1.017 467 S CB -0.726 62.526 63.200 0.085 0.000 0.780 467 S HN 0.141 nan 8.310 nan 0.000 0.476 468 V N 0.000 119.896 119.914 -0.030 0.000 2.409 468 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 468 V CA 0.000 62.288 62.300 -0.021 0.000 1.235 468 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556