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 3kbc_1_B DATA FIRST_RESID 6 DATA SEQUENCE KYIEYPVLQK ILIGLILGAI VGLILGHYGY AHAVHTYVKP FGDLFVRLLC DATA SEQUENCE MLVMPIVFAS LVVGAASISP ARLGRVGVKI VVYYLLTSAF AVTLGIIMAR DATA SEQUENCE LFNPGAGIHL AVGGQQFQPH QAPPLVHILL DIVPTNPFGA LANGQVLPTI DATA SEQUENCE FFAIILGIAI TYLMNSENEK VRKSAETLLD AINGLAEAMY KIVNGVMQYA DATA SEQUENCE PIGVFALIAY VMAEQGVHVV GELAKVTAAV YVGLTLQILL VYFVLLKIYG DATA SEQUENCE IDPISFIKHA KDAMLTAFVT RSSSGTLPVT MRVAKEMGIS EGIYSFTLPL DATA SEQUENCE GATINMDGTA LYQGVATFFI ANALGSHLTV GQQLTIVLTA VLASIGTAGV DATA SEQUENCE PGAGAIMLCM VLHSVGLPLT DPNVAAAYAM ILGIDAILDM GRTMVNVTGD DATA SEQUENCE LTGTAIVAKT E 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.819 176.600 0.364 0.000 0.988 6 K CA 0.000 56.363 56.287 0.127 0.000 0.838 6 K CB 0.000 32.533 32.500 0.055 0.000 1.064 7 Y N 0.677 120.980 120.300 0.004 0.000 2.805 7 Y HA -0.209 4.340 4.550 -0.002 0.000 0.471 7 Y C 0.642 176.537 175.900 -0.009 0.000 1.367 7 Y CA 0.623 58.718 58.100 -0.008 0.000 2.344 7 Y CB -1.377 37.081 38.460 -0.002 0.000 0.975 7 Y HN 0.350 nan 8.280 nan 0.000 0.500 8 I N 3.668 124.359 120.570 0.201 0.000 3.477 8 I HA -0.211 3.959 4.170 -0.001 0.000 0.295 8 I C 0.674 176.846 176.117 0.092 0.000 1.225 8 I CA 1.051 62.444 61.300 0.154 0.000 1.431 8 I CB 0.165 38.241 38.000 0.127 0.000 1.516 8 I HN 0.289 nan 8.210 nan 0.000 0.603 9 E N 5.499 125.718 120.200 0.031 0.000 2.514 9 E HA 0.062 4.411 4.350 -0.001 0.000 0.215 9 E C -0.010 176.570 176.600 -0.035 0.000 0.946 9 E CA -0.118 56.262 56.400 -0.033 0.000 1.038 9 E CB 0.019 29.663 29.700 -0.094 0.000 1.069 9 E HN 0.593 nan 8.360 nan 0.000 0.503 10 Y N 2.700 123.011 120.300 0.017 0.000 2.748 10 Y HA -0.082 4.468 4.550 -0.000 0.000 0.352 10 Y C -1.447 174.459 175.900 0.009 0.000 1.274 10 Y CA -0.397 57.709 58.100 0.009 0.000 1.472 10 Y CB -0.458 38.002 38.460 0.001 0.000 1.350 10 Y HN -0.083 nan 8.280 nan 0.000 0.672 11 P HA 0.001 nan 4.420 nan 0.000 0.263 11 P C 0.887 178.240 177.300 0.088 0.000 1.601 11 P CA 0.217 63.382 63.100 0.108 0.000 1.161 11 P CB 0.013 31.770 31.700 0.095 0.000 1.730 12 V N 3.006 122.967 119.914 0.078 0.000 2.310 12 V HA -0.375 3.744 4.120 -0.001 0.000 0.263 12 V C 2.065 178.178 176.094 0.031 0.000 1.108 12 V CA 2.353 64.687 62.300 0.057 0.000 1.104 12 V CB -2.152 29.704 31.823 0.055 0.000 0.736 12 V HN 0.352 nan 8.190 nan 0.000 0.456 13 L N -0.221 121.016 121.223 0.023 0.000 1.963 13 L HA -0.337 4.002 4.340 -0.001 0.000 0.220 13 L C 2.867 179.736 176.870 -0.002 0.000 1.076 13 L CA 2.828 57.669 54.840 0.002 0.000 0.772 13 L CB -0.358 41.697 42.059 -0.006 0.000 0.892 13 L HN 0.431 nan 8.230 nan 0.000 0.435 14 Q N -0.053 119.752 119.800 0.007 0.000 2.083 14 Q HA -0.219 4.120 4.340 -0.001 0.000 0.198 14 Q C 2.076 178.051 176.000 -0.042 0.000 0.969 14 Q CA 1.746 57.541 55.803 -0.013 0.000 0.838 14 Q CB -0.394 28.341 28.738 -0.006 0.000 0.900 14 Q HN 0.423 nan 8.270 nan 0.000 0.436 15 K N 0.289 120.673 120.400 -0.027 0.000 2.293 15 K HA -0.184 4.135 4.320 -0.001 0.000 0.204 15 K C 1.395 177.961 176.600 -0.057 0.000 1.045 15 K CA 1.178 57.433 56.287 -0.053 0.000 0.933 15 K CB -0.066 32.458 32.500 0.041 0.000 0.736 15 K HN 0.256 nan 8.250 nan 0.000 0.463 16 I N -0.138 120.411 120.570 -0.036 0.000 2.927 16 I HA -0.133 4.037 4.170 -0.001 0.000 0.268 16 I C 1.766 177.859 176.117 -0.040 0.000 1.153 16 I CA 0.161 61.437 61.300 -0.040 0.000 1.459 16 I CB 0.019 38.005 38.000 -0.024 0.000 1.149 16 I HN 0.052 nan 8.210 nan 0.000 0.443 17 L N 0.885 122.088 121.223 -0.034 0.000 2.265 17 L HA -0.187 4.153 4.340 -0.001 0.000 0.215 17 L C 2.425 179.277 176.870 -0.029 0.000 1.117 17 L CA 0.811 55.634 54.840 -0.028 0.000 0.782 17 L CB -0.403 41.643 42.059 -0.022 0.000 0.914 17 L HN 0.271 nan 8.230 nan 0.000 0.441 18 I N 0.087 120.629 120.570 -0.047 0.000 2.286 18 I HA -0.108 4.061 4.170 -0.001 0.000 0.245 18 I C 2.647 178.764 176.117 -0.000 0.000 1.104 18 I CA 1.529 62.797 61.300 -0.052 0.000 1.397 18 I CB -1.770 36.160 38.000 -0.117 0.000 1.072 18 I HN 0.199 nan 8.210 nan 0.000 0.417 19 G N 1.048 109.853 108.800 0.009 0.000 2.408 19 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.217 19 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.217 19 G C 1.728 176.710 174.900 0.136 0.000 1.150 19 G CA 0.470 45.650 45.100 0.135 0.000 0.776 19 G HN 0.280 nan 8.290 nan 0.000 0.542 20 L N 0.948 122.183 121.223 0.020 0.000 1.961 20 L HA 0.005 4.344 4.340 -0.001 0.000 0.210 20 L C 2.599 179.457 176.870 -0.021 0.000 1.072 20 L CA 1.497 56.324 54.840 -0.022 0.000 0.749 20 L CB -0.485 41.556 42.059 -0.031 0.000 0.889 20 L HN 0.100 nan 8.230 nan 0.000 0.432 21 I N -0.586 119.981 120.570 -0.006 0.000 2.286 21 I HA -0.224 3.945 4.170 -0.001 0.000 0.248 21 I C 2.493 178.615 176.117 0.009 0.000 1.115 21 I CA 1.198 62.494 61.300 -0.006 0.000 1.392 21 I CB -1.369 36.627 38.000 -0.007 0.000 1.065 21 I HN 0.359 nan 8.210 nan 0.000 0.418 22 L N 1.373 122.630 121.223 0.057 0.000 2.109 22 L HA 0.057 4.397 4.340 -0.001 0.000 0.207 22 L C 2.365 179.315 176.870 0.134 0.000 1.086 22 L CA 1.878 56.796 54.840 0.131 0.000 0.760 22 L CB -1.105 41.066 42.059 0.187 0.000 0.910 22 L HN 0.169 nan 8.230 nan 0.000 0.437 23 G N -1.035 107.750 108.800 -0.026 0.000 2.408 23 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 23 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 23 G C 1.608 176.301 174.900 -0.346 0.000 1.150 23 G CA 0.698 45.418 45.100 -0.632 0.000 0.776 23 G HN 0.592 nan 8.290 nan 0.000 0.542 24 A N 0.819 123.538 122.820 -0.168 0.000 1.883 24 A HA -0.014 4.305 4.320 -0.001 0.000 0.217 24 A C 2.317 179.853 177.584 -0.080 0.000 1.186 24 A CA 1.691 53.663 52.037 -0.108 0.000 0.624 24 A CB -0.355 18.608 19.000 -0.062 0.000 0.822 24 A HN 0.291 nan 8.150 nan 0.000 0.444 25 I N -0.276 120.263 120.570 -0.052 0.000 2.179 25 I HA -0.169 4.000 4.170 -0.001 0.000 0.242 25 I C 2.353 178.449 176.117 -0.034 0.000 1.088 25 I CA 1.040 62.324 61.300 -0.027 0.000 1.357 25 I CB -0.800 37.196 38.000 -0.007 0.000 1.051 25 I HN 0.107 nan 8.210 nan 0.000 0.409 26 V N 1.048 120.937 119.914 -0.040 0.000 2.568 26 V HA -0.204 3.916 4.120 -0.001 0.000 0.253 26 V C 2.474 178.530 176.094 -0.063 0.000 1.072 26 V CA 1.951 64.234 62.300 -0.028 0.000 1.084 26 V CB -1.651 30.191 31.823 0.032 0.000 0.676 26 V HN 0.582 nan 8.190 nan 0.000 0.469 27 G N -0.045 108.688 108.800 -0.111 0.000 2.404 27 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.214 27 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.214 27 G C 1.413 176.285 174.900 -0.047 0.000 1.189 27 G CA 0.555 45.599 45.100 -0.094 0.000 0.789 27 G HN 0.317 nan 8.290 nan 0.000 0.533 28 L N 1.881 123.084 121.223 -0.035 0.000 1.970 28 L HA -0.094 4.245 4.340 -0.001 0.000 0.212 28 L C 3.091 179.996 176.870 0.058 0.000 1.071 28 L CA 1.869 56.709 54.840 0.001 0.000 0.751 28 L CB -1.609 40.457 42.059 0.012 0.000 0.889 28 L HN 0.510 nan 8.230 nan 0.000 0.432 29 I N -1.654 118.940 120.570 0.039 0.000 2.181 29 I HA -0.331 3.838 4.170 -0.001 0.000 0.247 29 I C 2.033 178.208 176.117 0.095 0.000 1.081 29 I CA 1.732 63.045 61.300 0.022 0.000 1.340 29 I CB -0.670 37.264 38.000 -0.111 0.000 1.036 29 I HN 0.127 nan 8.210 nan 0.000 0.417 30 L N 1.979 123.240 121.223 0.063 0.000 2.610 30 L HA 0.204 4.543 4.340 -0.001 0.000 0.232 30 L C 2.539 179.468 176.870 0.099 0.000 1.149 30 L CA 1.206 56.106 54.840 0.100 0.000 0.872 30 L CB -1.220 40.873 42.059 0.057 0.000 0.992 30 L HN 0.338 nan 8.230 nan 0.000 0.447 31 G N -1.155 107.689 108.800 0.073 0.000 2.433 31 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.216 31 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.216 31 G C 0.997 175.852 174.900 -0.075 0.000 1.186 31 G CA 0.529 45.594 45.100 -0.058 0.000 0.779 31 G HN 0.378 nan 8.290 nan 0.000 0.543 32 H N -1.897 117.273 119.070 0.166 0.000 2.885 32 H HA 0.434 4.989 4.556 -0.001 0.000 0.263 32 H C 0.702 176.166 175.328 0.227 0.000 1.564 32 H CA -0.252 55.844 56.048 0.081 0.000 1.632 32 H CB 0.186 29.905 29.762 -0.071 0.000 1.650 32 H HN 0.246 nan 8.280 nan 0.000 0.928 33 Y N -0.867 119.535 120.300 0.170 0.000 2.896 33 Y HA -0.302 4.248 4.550 -0.001 0.000 0.464 33 Y C 1.460 177.401 175.900 0.068 0.000 1.198 33 Y CA 0.717 58.871 58.100 0.090 0.000 2.486 33 Y CB -1.537 36.971 38.460 0.079 0.000 1.234 33 Y HN 0.853 nan 8.280 nan 0.000 0.634 34 G N 0.649 109.610 108.800 0.268 0.000 2.148 34 G HA2 0.295 4.254 3.960 -0.001 0.000 0.275 34 G HA3 0.295 4.254 3.960 -0.001 0.000 0.275 34 G C 0.010 174.996 174.900 0.143 0.000 0.979 34 G CA 0.227 45.425 45.100 0.164 0.000 1.154 34 G HN 1.207 nan 8.290 nan 0.000 0.377 35 Y N 0.354 120.724 120.300 0.117 0.000 2.903 35 Y HA 0.295 4.845 4.550 -0.001 0.000 0.338 35 Y C 1.722 177.698 175.900 0.126 0.000 1.265 35 Y CA -0.054 58.107 58.100 0.100 0.000 1.532 35 Y CB 0.079 38.592 38.460 0.087 0.000 1.293 35 Y HN 1.314 nan 8.280 nan 0.000 0.609 36 A N 0.904 123.774 122.820 0.084 0.000 2.131 36 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 36 A C 1.828 179.505 177.584 0.156 0.000 1.158 36 A CA 1.773 53.856 52.037 0.077 0.000 0.665 36 A CB -1.101 17.876 19.000 -0.039 0.000 0.795 36 A HN 1.262 nan 8.150 nan 0.000 0.460 37 H N 0.251 119.375 119.070 0.090 0.000 2.357 37 H HA -0.163 4.392 4.556 -0.001 0.000 0.296 37 H C 2.133 177.587 175.328 0.210 0.000 1.108 37 H CA 2.232 58.360 56.048 0.135 0.000 1.273 37 H CB -0.168 29.646 29.762 0.087 0.000 1.367 37 H HN 0.437 nan 8.280 nan 0.000 0.498 38 A N -0.273 122.728 122.820 0.301 0.000 1.972 38 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 38 A C 2.656 180.433 177.584 0.322 0.000 1.169 38 A CA 1.672 53.907 52.037 0.331 0.000 0.635 38 A CB -0.751 18.415 19.000 0.276 0.000 0.810 38 A HN 0.348 nan 8.150 nan 0.000 0.446 39 V N -0.462 119.598 119.914 0.244 0.000 2.379 39 V HA -0.209 3.911 4.120 -0.001 0.000 0.245 39 V C 2.382 178.641 176.094 0.275 0.000 1.044 39 V CA 1.815 64.264 62.300 0.248 0.000 1.036 39 V CB -0.983 30.954 31.823 0.190 0.000 0.664 39 V HN 0.807 nan 8.190 nan 0.000 0.453 40 H N -0.013 119.169 119.070 0.187 0.000 2.568 40 H HA -0.073 4.483 4.556 -0.001 0.000 0.281 40 H C 1.654 176.952 175.328 -0.049 0.000 1.028 40 H CA 1.526 57.696 56.048 0.202 0.000 1.199 40 H CB 0.292 30.183 29.762 0.215 0.000 1.352 40 H HN 0.447 nan 8.280 nan 0.000 0.605 41 T N -1.455 113.048 114.554 -0.085 0.000 2.987 41 T HA 0.044 4.393 4.350 -0.001 0.000 0.248 41 T C 0.820 175.242 174.700 -0.462 0.000 0.997 41 T CA 0.122 62.021 62.100 -0.335 0.000 1.013 41 T CB 0.085 68.699 68.868 -0.423 0.000 1.077 41 T HN 0.311 nan 8.240 nan 0.000 0.483 42 Y N -0.095 120.243 120.300 0.063 0.000 2.430 42 Y HA 0.389 4.938 4.550 -0.001 0.000 0.254 42 Y C 1.979 178.028 175.900 0.248 0.000 1.088 42 Y CA -0.224 57.954 58.100 0.130 0.000 1.267 42 Y CB 0.466 39.014 38.460 0.146 0.000 1.204 42 Y HN -0.036 nan 8.280 nan 0.000 0.515 43 V N 0.046 120.163 119.914 0.340 0.000 2.521 43 V HA -0.122 3.998 4.120 -0.001 0.000 0.239 43 V C 2.217 178.481 176.094 0.284 0.000 1.053 43 V CA 1.378 63.890 62.300 0.353 0.000 1.073 43 V CB -0.239 31.742 31.823 0.263 0.000 0.746 43 V HN 0.155 nan 8.190 nan 0.000 0.476 44 K N 0.992 121.457 120.400 0.108 0.000 2.113 44 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 44 K C -0.262 176.285 176.600 -0.087 0.000 1.047 44 K CA 1.929 58.165 56.287 -0.086 0.000 0.928 44 K CB -1.107 31.135 32.500 -0.431 0.000 0.716 44 K HN 0.403 nan 8.250 nan 0.000 0.446 45 P HA -0.194 nan 4.420 nan 0.000 0.217 45 P C 0.963 178.161 177.300 -0.170 0.000 1.151 45 P CA 1.531 64.494 63.100 -0.227 0.000 0.849 45 P CB -0.178 31.302 31.700 -0.366 0.000 0.787 46 F N 0.077 120.079 119.950 0.088 0.000 2.259 46 F HA 0.080 4.607 4.527 -0.001 0.000 0.298 46 F C 2.740 178.682 175.800 0.236 0.000 1.088 46 F CA 1.369 59.489 58.000 0.199 0.000 1.358 46 F CB -1.586 37.541 39.000 0.213 0.000 1.040 46 F HN -0.051 nan 8.300 nan 0.000 0.505 47 G N -0.357 108.624 108.800 0.302 0.000 2.443 47 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 47 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 47 G C 1.157 176.195 174.900 0.229 0.000 1.131 47 G CA 1.025 46.254 45.100 0.216 0.000 0.775 47 G HN 0.226 nan 8.290 nan 0.000 0.547 48 D N 0.057 120.534 120.400 0.129 0.000 2.162 48 D HA -0.034 4.605 4.640 -0.001 0.000 0.205 48 D C 2.337 178.703 176.300 0.110 0.000 0.964 48 D CA 0.134 54.181 54.000 0.079 0.000 0.847 48 D CB -0.464 40.316 40.800 -0.034 0.000 0.988 48 D HN 0.192 nan 8.370 nan 0.000 0.480 49 L N 0.307 121.592 121.223 0.104 0.000 2.043 49 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 49 L C 2.056 178.973 176.870 0.079 0.000 1.075 49 L CA 1.506 56.370 54.840 0.040 0.000 0.752 49 L CB -0.780 41.286 42.059 0.011 0.000 0.891 49 L HN 0.001 nan 8.230 nan 0.000 0.432 50 F N -0.822 119.203 119.950 0.126 0.000 2.075 50 F HA -0.207 4.319 4.527 -0.002 0.000 0.297 50 F C 2.235 178.110 175.800 0.124 0.000 1.113 50 F CA 2.106 60.219 58.000 0.188 0.000 1.218 50 F CB -0.512 38.717 39.000 0.382 0.000 0.984 50 F HN -0.094 nan 8.300 nan 0.000 0.472 51 V N 1.122 121.221 119.914 0.308 0.000 2.392 51 V HA -0.325 3.794 4.120 -0.001 0.000 0.249 51 V C 2.413 178.531 176.094 0.041 0.000 1.059 51 V CA 2.338 64.759 62.300 0.202 0.000 1.051 51 V CB -0.784 31.190 31.823 0.251 0.000 0.658 51 V HN 0.333 nan 8.190 nan 0.000 0.455 52 R N -0.414 120.088 120.500 0.003 0.000 2.075 52 R HA 0.046 4.385 4.340 -0.001 0.000 0.226 52 R C 2.310 178.557 176.300 -0.089 0.000 1.114 52 R CA 0.994 57.069 56.100 -0.042 0.000 0.972 52 R CB -0.412 29.862 30.300 -0.043 0.000 0.869 52 R HN 0.391 nan 8.270 nan 0.000 0.437 53 L N 0.770 121.912 121.223 -0.134 0.000 2.137 53 L HA -0.251 4.089 4.340 -0.001 0.000 0.213 53 L C 1.944 178.713 176.870 -0.168 0.000 1.085 53 L CA 1.103 55.843 54.840 -0.168 0.000 0.760 53 L CB -0.507 41.417 42.059 -0.225 0.000 0.893 53 L HN 0.145 nan 8.230 nan 0.000 0.434 54 L N -1.285 119.822 121.223 -0.194 0.000 2.068 54 L HA -0.106 4.234 4.340 -0.001 0.000 0.204 54 L C 2.549 179.380 176.870 -0.065 0.000 1.076 54 L CA 1.324 56.081 54.840 -0.138 0.000 0.753 54 L CB -1.160 40.816 42.059 -0.138 0.000 0.910 54 L HN 0.223 nan 8.230 nan 0.000 0.439 55 C N -0.452 118.820 119.300 -0.047 0.000 2.409 55 C HA -0.181 4.279 4.460 -0.001 0.000 0.284 55 C C 2.886 177.844 174.990 -0.052 0.000 1.354 55 C CA 0.595 59.590 59.018 -0.038 0.000 1.787 55 C CB -0.979 26.734 27.740 -0.045 0.000 1.900 55 C HN 0.570 nan 8.230 nan 0.000 0.520 56 M N 0.497 120.057 119.600 -0.067 0.000 2.065 56 M HA -0.175 4.305 4.480 -0.001 0.000 0.259 56 M C 2.086 178.342 176.300 -0.074 0.000 1.071 56 M CA 2.059 57.316 55.300 -0.072 0.000 1.109 56 M CB -0.287 32.266 32.600 -0.080 0.000 1.313 56 M HN 0.332 nan 8.290 nan 0.000 0.408 57 L N -0.547 120.627 121.223 -0.081 0.000 2.079 57 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 57 L C 2.556 179.380 176.870 -0.076 0.000 1.081 57 L CA 1.026 55.811 54.840 -0.092 0.000 0.752 57 L CB -1.140 40.852 42.059 -0.113 0.000 0.896 57 L HN 0.352 nan 8.230 nan 0.000 0.433 58 V N 0.233 120.115 119.914 -0.053 0.000 2.311 58 V HA -0.411 3.709 4.120 -0.001 0.000 0.259 58 V C 2.529 178.601 176.094 -0.038 0.000 1.086 58 V CA 2.272 64.554 62.300 -0.031 0.000 1.078 58 V CB -0.146 31.671 31.823 -0.011 0.000 0.668 58 V HN 0.369 nan 8.190 nan 0.000 0.452 59 M N -0.667 118.899 119.600 -0.057 0.000 2.115 59 M HA 0.054 4.533 4.480 -0.001 0.000 0.261 59 M C 0.345 176.644 176.300 -0.001 0.000 1.079 59 M CA 1.859 57.133 55.300 -0.044 0.000 1.143 59 M CB -2.676 29.876 32.600 -0.080 0.000 1.332 59 M HN 0.304 nan 8.290 nan 0.000 0.421 60 P HA -0.130 nan 4.420 nan 0.000 0.216 60 P C 1.726 179.057 177.300 0.053 0.000 1.150 60 P CA 1.316 64.420 63.100 0.007 0.000 0.843 60 P CB -0.481 31.196 31.700 -0.038 0.000 0.787 61 I N -4.217 116.341 120.570 -0.021 0.000 2.333 61 I HA -0.106 4.064 4.170 -0.001 0.000 0.246 61 I C 1.776 177.917 176.117 0.040 0.000 1.106 61 I CA 1.165 62.438 61.300 -0.044 0.000 1.411 61 I CB -1.241 36.661 38.000 -0.163 0.000 1.082 61 I HN -0.266 nan 8.210 nan 0.000 0.420 62 V N 1.026 120.974 119.914 0.056 0.000 2.688 62 V HA -0.250 3.869 4.120 -0.001 0.000 0.256 62 V C 2.179 178.347 176.094 0.124 0.000 1.084 62 V CA 2.134 64.481 62.300 0.079 0.000 1.103 62 V CB -1.069 30.796 31.823 0.070 0.000 0.688 62 V HN 0.569 nan 8.190 nan 0.000 0.480 63 F N 0.930 120.880 119.950 -0.000 0.000 2.204 63 F HA 0.273 4.799 4.527 -0.001 0.000 0.276 63 F C 2.339 178.149 175.800 0.017 0.000 1.085 63 F CA 1.153 59.163 58.000 0.016 0.000 1.160 63 F CB -0.627 38.379 39.000 0.010 0.000 1.091 63 F HN -0.002 nan 8.300 nan 0.000 0.522 64 A N -0.400 122.528 122.820 0.179 0.000 1.917 64 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 64 A C 2.317 179.878 177.584 -0.039 0.000 1.182 64 A CA 2.211 54.267 52.037 0.033 0.000 0.633 64 A CB -1.576 17.512 19.000 0.147 0.000 0.819 64 A HN 0.518 nan 8.150 nan 0.000 0.448 65 S N -0.817 114.896 115.700 0.021 0.000 2.400 65 S HA -0.085 4.384 4.470 -0.001 0.000 0.232 65 S C 1.761 176.347 174.600 -0.024 0.000 1.025 65 S CA 1.566 59.794 58.200 0.048 0.000 0.993 65 S CB -0.395 62.859 63.200 0.090 0.000 0.808 65 S HN 0.507 nan 8.310 nan 0.000 0.478 66 L N 0.406 121.576 121.223 -0.088 0.000 2.354 66 L HA 0.129 4.468 4.340 -0.001 0.000 0.212 66 L C 2.269 179.026 176.870 -0.189 0.000 1.091 66 L CA 0.241 55.011 54.840 -0.116 0.000 0.828 66 L CB -0.279 41.726 42.059 -0.090 0.000 0.973 66 L HN 0.174 nan 8.230 nan 0.000 0.461 67 V N -0.407 119.327 119.914 -0.300 0.000 2.427 67 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 67 V C 2.375 178.356 176.094 -0.189 0.000 1.051 67 V CA 1.374 63.483 62.300 -0.318 0.000 1.048 67 V CB -0.163 31.390 31.823 -0.450 0.000 0.666 67 V HN 0.194 nan 8.190 nan 0.000 0.456 68 V N 0.832 120.661 119.914 -0.141 0.000 2.323 68 V HA -0.072 4.048 4.120 -0.001 0.000 0.244 68 V C 2.690 178.728 176.094 -0.093 0.000 1.041 68 V CA 1.987 64.230 62.300 -0.094 0.000 1.025 68 V CB -1.399 30.390 31.823 -0.056 0.000 0.656 68 V HN 0.567 nan 8.190 nan 0.000 0.451 69 G N -0.050 108.699 108.800 -0.086 0.000 2.469 69 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.219 69 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.219 69 G C 1.772 176.620 174.900 -0.087 0.000 1.150 69 G CA 1.295 46.346 45.100 -0.081 0.000 0.763 69 G HN 0.605 nan 8.290 nan 0.000 0.561 70 A N 1.240 124.002 122.820 -0.098 0.000 1.877 70 A HA 0.245 4.565 4.320 -0.001 0.000 0.216 70 A C 2.827 180.358 177.584 -0.089 0.000 1.186 70 A CA 2.379 54.359 52.037 -0.096 0.000 0.620 70 A CB -0.908 18.016 19.000 -0.126 0.000 0.822 70 A HN 0.938 nan 8.150 nan 0.000 0.443 71 A N -0.701 122.060 122.820 -0.099 0.000 2.070 71 A HA 0.004 4.324 4.320 -0.001 0.000 0.220 71 A C 1.922 179.455 177.584 -0.086 0.000 1.159 71 A CA 1.645 53.626 52.037 -0.093 0.000 0.656 71 A CB -0.544 18.400 19.000 -0.093 0.000 0.800 71 A HN 0.400 nan 8.150 nan 0.000 0.453 72 S N -0.893 114.754 115.700 -0.087 0.000 2.685 72 S HA 0.447 4.916 4.470 -0.001 0.000 0.240 72 S C 0.519 175.075 174.600 -0.073 0.000 0.967 72 S CA 0.095 58.239 58.200 -0.093 0.000 1.009 72 S CB -0.347 62.780 63.200 -0.122 0.000 0.776 72 S HN 0.557 nan 8.310 nan 0.000 0.467 73 I N -0.756 119.783 120.570 -0.051 0.000 4.262 73 I HA 0.019 4.188 4.170 -0.001 0.000 0.382 73 I C -0.430 175.677 176.117 -0.016 0.000 1.146 73 I CA -0.046 61.243 61.300 -0.018 0.000 1.201 73 I CB 0.432 38.422 38.000 -0.017 0.000 2.367 73 I HN -0.060 nan 8.210 nan 0.000 0.758 74 S N 5.871 121.544 115.700 -0.046 0.000 2.589 74 S HA 0.089 4.558 4.470 -0.001 0.000 0.306 74 S C -2.213 172.352 174.600 -0.059 0.000 1.221 74 S CA -0.243 57.922 58.200 -0.059 0.000 1.159 74 S CB -0.312 62.807 63.200 -0.135 0.000 0.990 74 S HN 0.141 nan 8.310 nan 0.000 0.514 75 P HA 0.397 nan 4.420 nan 0.000 0.292 75 P C -1.015 176.347 177.300 0.105 0.000 1.326 75 P CA -0.465 62.657 63.100 0.036 0.000 0.787 75 P CB 0.928 32.663 31.700 0.060 0.000 0.903 76 A N 3.520 126.361 122.820 0.035 0.000 2.312 76 A HA 0.792 5.111 4.320 -0.001 0.000 0.326 76 A C 0.943 178.432 177.584 -0.159 0.000 1.172 76 A CA -0.404 51.607 52.037 -0.043 0.000 0.821 76 A CB 0.687 19.685 19.000 -0.004 0.000 1.166 76 A HN 0.511 nan 8.150 nan 0.000 0.493 77 R N 1.087 121.526 120.500 -0.101 0.000 2.344 77 R HA 0.387 4.726 4.340 -0.001 0.000 0.186 77 R C -0.456 175.829 176.300 -0.023 0.000 0.603 77 R CA 0.663 56.698 56.100 -0.108 0.000 0.827 77 R CB -1.436 28.766 30.300 -0.163 0.000 1.419 77 R HN 1.583 nan 8.270 nan 0.000 0.489 78 L N -2.328 118.899 121.223 0.007 0.000 2.408 78 L HA 0.997 5.336 4.340 -0.001 0.000 0.268 78 L C 0.519 177.380 176.870 -0.016 0.000 0.986 78 L CA -1.236 53.645 54.840 0.069 0.000 0.820 78 L CB 2.050 44.208 42.059 0.165 0.000 1.303 78 L HN 0.151 nan 8.230 nan 0.000 0.411 79 G N 1.576 110.310 108.800 -0.110 0.000 2.825 79 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.241 79 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.241 79 G C 0.349 175.172 174.900 -0.129 0.000 1.239 79 G CA -0.237 44.763 45.100 -0.167 0.000 0.859 79 G HN 0.969 nan 8.290 nan 0.000 0.598 80 R N -0.078 120.360 120.500 -0.102 0.000 2.320 80 R HA 0.132 4.471 4.340 -0.001 0.000 0.211 80 R C 1.847 178.100 176.300 -0.079 0.000 0.931 80 R CA 0.154 56.218 56.100 -0.060 0.000 1.071 80 R CB -0.050 30.228 30.300 -0.036 0.000 1.025 80 R HN 0.330 nan 8.270 nan 0.000 0.495 81 V N -0.849 118.967 119.914 -0.163 0.000 2.951 81 V HA 0.123 4.242 4.120 -0.001 0.000 0.255 81 V C 1.477 177.480 176.094 -0.151 0.000 1.088 81 V CA 1.826 64.013 62.300 -0.188 0.000 1.109 81 V CB 0.542 32.177 31.823 -0.314 0.000 0.724 81 V HN 0.485 nan 8.190 nan 0.000 0.471 82 G N -0.699 108.012 108.800 -0.148 0.000 2.497 82 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.210 82 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.210 82 G C 1.533 176.527 174.900 0.156 0.000 1.177 82 G CA 0.892 46.077 45.100 0.141 0.000 0.822 82 G HN 0.317 nan 8.290 nan 0.000 0.550 83 V N 1.410 121.374 119.914 0.082 0.000 2.311 83 V HA -0.356 3.763 4.120 -0.001 0.000 0.256 83 V C 2.806 178.958 176.094 0.097 0.000 1.077 83 V CA 2.622 64.972 62.300 0.082 0.000 1.067 83 V CB -0.545 31.304 31.823 0.043 0.000 0.659 83 V HN 0.389 nan 8.190 nan 0.000 0.451 84 K N -0.661 119.782 120.400 0.072 0.000 1.985 84 K HA -0.161 4.158 4.320 -0.001 0.000 0.210 84 K C 2.135 178.802 176.600 0.112 0.000 1.047 84 K CA 1.803 58.130 56.287 0.068 0.000 0.932 84 K CB -0.489 32.022 32.500 0.019 0.000 0.716 84 K HN 0.360 nan 8.250 nan 0.000 0.439 85 I N 1.463 122.111 120.570 0.130 0.000 2.194 85 I HA -0.269 3.900 4.170 -0.001 0.000 0.246 85 I C 1.930 178.269 176.117 0.369 0.000 1.093 85 I CA 1.337 62.742 61.300 0.176 0.000 1.355 85 I CB -0.144 38.038 38.000 0.304 0.000 1.046 85 I HN -0.075 nan 8.210 nan 0.000 0.413 86 V N -0.071 120.067 119.914 0.372 0.000 2.255 86 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 86 V C 2.542 178.807 176.094 0.285 0.000 1.051 86 V CA 1.977 64.498 62.300 0.369 0.000 1.018 86 V CB -0.869 31.082 31.823 0.213 0.000 0.641 86 V HN 0.342 nan 8.190 nan 0.000 0.445 87 V N -0.760 119.268 119.914 0.189 0.000 2.453 87 V HA -0.336 3.783 4.120 -0.001 0.000 0.252 87 V C 2.126 178.290 176.094 0.118 0.000 1.068 87 V CA 2.530 64.907 62.300 0.128 0.000 1.070 87 V CB -0.952 30.929 31.823 0.097 0.000 0.664 87 V HN 0.679 nan 8.190 nan 0.000 0.461 88 Y N 0.203 120.513 120.300 0.016 0.000 2.070 88 Y HA -0.289 4.260 4.550 -0.001 0.000 0.279 88 Y C 2.452 178.306 175.900 -0.077 0.000 1.134 88 Y CA 1.869 59.912 58.100 -0.095 0.000 1.113 88 Y CB -0.628 37.679 38.460 -0.254 0.000 0.981 88 Y HN 0.266 nan 8.280 nan 0.000 0.487 89 Y N -0.133 120.293 120.300 0.211 0.000 2.069 89 Y HA -0.352 4.197 4.550 -0.001 0.000 0.278 89 Y C 2.235 178.119 175.900 -0.028 0.000 1.175 89 Y CA 1.697 59.857 58.100 0.099 0.000 1.134 89 Y CB -1.135 37.419 38.460 0.157 0.000 0.965 89 Y HN 0.148 nan 8.280 nan 0.000 0.498 90 L N -0.323 120.995 121.223 0.158 0.000 1.971 90 L HA -0.257 4.082 4.340 -0.001 0.000 0.215 90 L C 2.389 179.269 176.870 0.017 0.000 1.072 90 L CA 1.689 56.579 54.840 0.082 0.000 0.758 90 L CB -1.483 40.624 42.059 0.079 0.000 0.889 90 L HN 0.222 nan 8.230 nan 0.000 0.433 91 L N -0.771 120.430 121.223 -0.038 0.000 2.129 91 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 91 L C 2.651 179.451 176.870 -0.116 0.000 1.087 91 L CA 1.829 56.628 54.840 -0.069 0.000 0.757 91 L CB -1.281 40.717 42.059 -0.102 0.000 0.896 91 L HN 0.590 nan 8.230 nan 0.000 0.434 92 T N -4.386 110.007 114.554 -0.268 0.000 2.737 92 T HA -0.119 4.230 4.350 -0.001 0.000 0.265 92 T C 2.004 176.685 174.700 -0.032 0.000 1.038 92 T CA 1.433 63.362 62.100 -0.285 0.000 1.144 92 T CB -0.369 68.208 68.868 -0.484 0.000 0.866 92 T HN 0.200 nan 8.240 nan 0.000 0.434 93 S N 1.839 117.550 115.700 0.018 0.000 2.387 93 S HA 0.249 4.718 4.470 -0.001 0.000 0.226 93 S C 2.637 177.287 174.600 0.084 0.000 1.026 93 S CA 0.745 58.993 58.200 0.080 0.000 0.972 93 S CB -0.777 62.483 63.200 0.099 0.000 0.814 93 S HN 0.751 nan 8.310 nan 0.000 0.477 94 A N 0.705 123.571 122.820 0.077 0.000 1.940 94 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 94 A C 1.878 179.523 177.584 0.102 0.000 1.176 94 A CA 1.354 53.440 52.037 0.081 0.000 0.631 94 A CB -0.688 18.358 19.000 0.075 0.000 0.814 94 A HN 0.534 nan 8.150 nan 0.000 0.446 95 F N 0.297 120.232 119.950 -0.025 0.000 2.335 95 F HA 0.223 4.749 4.527 -0.001 0.000 0.296 95 F C 2.426 178.225 175.800 -0.001 0.000 1.091 95 F CA 0.709 58.695 58.000 -0.023 0.000 1.399 95 F CB -0.212 38.752 39.000 -0.060 0.000 1.067 95 F HN 0.240 nan 8.300 nan 0.000 0.520 96 A N -0.046 122.856 122.820 0.138 0.000 1.917 96 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 96 A C 2.339 179.915 177.584 -0.014 0.000 1.182 96 A CA 2.149 54.238 52.037 0.087 0.000 0.633 96 A CB -1.526 17.549 19.000 0.124 0.000 0.819 96 A HN 0.372 nan 8.150 nan 0.000 0.448 97 V N -0.575 119.334 119.914 -0.008 0.000 2.323 97 V HA -0.165 3.954 4.120 -0.001 0.000 0.244 97 V C 2.447 178.498 176.094 -0.072 0.000 1.041 97 V CA 2.977 65.277 62.300 0.000 0.000 1.025 97 V CB -0.996 30.852 31.823 0.041 0.000 0.656 97 V HN 0.603 nan 8.190 nan 0.000 0.451 98 T N 0.977 115.437 114.554 -0.157 0.000 2.760 98 T HA -0.252 4.097 4.350 -0.001 0.000 0.269 98 T C 1.773 176.276 174.700 -0.327 0.000 1.047 98 T CA 2.264 64.223 62.100 -0.235 0.000 1.139 98 T CB -0.416 68.250 68.868 -0.337 0.000 0.855 98 T HN 0.527 nan 8.240 nan 0.000 0.471 99 L N 0.368 121.328 121.223 -0.438 0.000 2.095 99 L HA 0.116 4.455 4.340 -0.001 0.000 0.204 99 L C 2.695 179.490 176.870 -0.125 0.000 1.080 99 L CA 1.311 55.953 54.840 -0.330 0.000 0.759 99 L CB -0.821 41.056 42.059 -0.303 0.000 0.914 99 L HN 0.346 nan 8.230 nan 0.000 0.439 100 G N 0.530 109.287 108.800 -0.071 0.000 2.440 100 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.218 100 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.218 100 G C 1.347 176.237 174.900 -0.017 0.000 1.154 100 G CA 1.126 46.223 45.100 -0.006 0.000 0.767 100 G HN 0.368 nan 8.290 nan 0.000 0.552 101 I N 1.117 121.666 120.570 -0.035 0.000 2.361 101 I HA -0.073 4.096 4.170 -0.001 0.000 0.251 101 I C 2.557 178.523 176.117 -0.251 0.000 1.133 101 I CA 0.546 61.758 61.300 -0.147 0.000 1.413 101 I CB -0.311 37.670 38.000 -0.031 0.000 1.073 101 I HN 0.177 nan 8.210 nan 0.000 0.424 102 I N -0.599 119.886 120.570 -0.142 0.000 2.546 102 I HA -0.225 3.944 4.170 -0.001 0.000 0.255 102 I C 2.189 178.278 176.117 -0.047 0.000 1.163 102 I CA 0.858 62.093 61.300 -0.107 0.000 1.457 102 I CB -0.291 37.662 38.000 -0.079 0.000 1.092 102 I HN 0.187 nan 8.210 nan 0.000 0.434 103 M N 0.390 119.993 119.600 0.006 0.000 2.236 103 M HA -0.011 4.469 4.480 -0.001 0.000 0.266 103 M C 2.629 179.028 176.300 0.165 0.000 1.070 103 M CA 1.388 56.786 55.300 0.163 0.000 1.137 103 M CB -1.261 31.417 32.600 0.130 0.000 1.378 103 M HN 0.233 nan 8.290 nan 0.000 0.426 104 A N 0.569 123.371 122.820 -0.031 0.000 1.972 104 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 104 A C 2.330 179.821 177.584 -0.154 0.000 1.169 104 A CA 1.236 53.209 52.037 -0.105 0.000 0.635 104 A CB -0.356 18.405 19.000 -0.398 0.000 0.810 104 A HN 0.300 nan 8.150 nan 0.000 0.446 105 R N -0.143 120.225 120.500 -0.220 0.000 2.070 105 R HA -0.135 4.205 4.340 -0.001 0.000 0.227 105 R C 2.213 178.459 176.300 -0.090 0.000 1.147 105 R CA 1.698 57.696 56.100 -0.170 0.000 0.924 105 R CB -1.609 28.590 30.300 -0.168 0.000 0.827 105 R HN 0.653 nan 8.270 nan 0.000 0.431 106 L N -0.804 120.364 121.223 -0.093 0.000 2.012 106 L HA -0.017 4.322 4.340 -0.001 0.000 0.210 106 L C 0.828 177.549 176.870 -0.248 0.000 1.073 106 L CA 1.235 55.953 54.840 -0.203 0.000 0.748 106 L CB -1.310 40.568 42.059 -0.303 0.000 0.891 106 L HN -0.114 nan 8.230 nan 0.000 0.431 107 F N 1.177 121.115 119.950 -0.020 0.000 2.411 107 F HA 0.366 4.892 4.527 -0.001 0.000 0.350 107 F C 0.762 176.564 175.800 0.004 0.000 1.114 107 F CA -0.473 57.531 58.000 0.006 0.000 1.135 107 F CB 0.185 39.202 39.000 0.028 0.000 1.120 107 F HN 0.048 nan 8.300 nan 0.000 0.495 108 N N 4.679 123.483 118.700 0.174 0.000 3.170 108 N HA 0.208 4.947 4.740 -0.001 0.000 0.305 108 N C -2.678 172.901 175.510 0.114 0.000 1.499 108 N CA -1.535 51.582 53.050 0.111 0.000 1.110 108 N CB 0.319 38.843 38.487 0.062 0.000 1.390 108 N HN 0.202 nan 8.380 nan 0.000 0.508 109 P HA -0.006 nan 4.420 nan 0.000 0.263 109 P C 1.072 178.330 177.300 -0.070 0.000 1.195 109 P CA 0.987 64.203 63.100 0.193 0.000 0.762 109 P CB 0.840 32.768 31.700 0.380 0.000 0.799 110 G N 3.299 111.946 108.800 -0.255 0.000 2.956 110 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.210 110 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.210 110 G C 0.438 175.212 174.900 -0.209 0.000 1.316 110 G CA -0.081 44.693 45.100 -0.544 0.000 0.819 110 G HN 0.803 nan 8.290 nan 0.000 0.544 111 A N 1.205 123.963 122.820 -0.104 0.000 2.547 111 A HA 0.496 4.815 4.320 -0.001 0.000 0.269 111 A C 2.209 179.818 177.584 0.042 0.000 1.041 111 A CA 2.519 54.550 52.037 -0.010 0.000 0.855 111 A CB -0.931 18.078 19.000 0.015 0.000 0.934 111 A HN 2.756 nan 8.150 nan 0.000 0.521 112 G N 1.739 110.633 108.800 0.156 0.000 2.278 112 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.210 112 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.210 112 G C 0.906 175.711 174.900 -0.158 0.000 1.000 112 G CA 0.316 45.504 45.100 0.146 0.000 0.635 112 G HN 1.217 nan 8.290 nan 0.000 0.495 113 I N 3.346 123.825 120.570 -0.152 0.000 3.251 113 I HA 0.122 4.291 4.170 -0.001 0.000 0.277 113 I C 1.488 177.431 176.117 -0.289 0.000 1.268 113 I CA 0.317 61.480 61.300 -0.228 0.000 1.449 113 I CB -0.405 37.478 38.000 -0.195 0.000 1.083 113 I HN 0.489 nan 8.210 nan 0.000 0.464 114 H N 2.979 121.994 119.070 -0.091 0.000 3.157 114 H HA -0.131 4.424 4.556 -0.001 0.000 0.279 114 H C -0.678 174.626 175.328 -0.039 0.000 0.880 114 H CA 0.767 56.773 56.048 -0.070 0.000 1.394 114 H CB -0.450 29.279 29.762 -0.054 0.000 1.247 114 H HN 0.417 nan 8.280 nan 0.000 0.553 115 L N -0.281 120.972 121.223 0.050 0.000 2.350 115 L HA 0.805 5.145 4.340 -0.001 0.000 0.260 115 L C -0.024 176.887 176.870 0.068 0.000 1.015 115 L CA -0.911 53.951 54.840 0.036 0.000 0.821 115 L CB 2.299 44.368 42.059 0.017 0.000 1.370 115 L HN 0.568 nan 8.230 nan 0.000 0.416 116 A N 1.515 124.374 122.820 0.064 0.000 2.609 116 A HA 0.566 4.885 4.320 -0.001 0.000 0.286 116 A C 1.055 178.676 177.584 0.062 0.000 1.138 116 A CA 0.297 52.375 52.037 0.068 0.000 0.960 116 A CB -0.404 18.634 19.000 0.062 0.000 1.208 116 A HN 1.603 nan 8.150 nan 0.000 0.541 117 V N -1.892 118.060 119.914 0.063 0.000 0.689 117 V HA -0.446 3.674 4.120 -0.001 0.000 0.092 117 V C 1.956 178.080 176.094 0.049 0.000 0.809 117 V CA 2.270 64.612 62.300 0.069 0.000 3.104 117 V CB -1.923 29.950 31.823 0.084 0.000 0.207 117 V HN 1.294 nan 8.190 nan 0.000 0.125 118 G N 0.559 109.389 108.800 0.050 0.000 2.564 118 G HA2 0.400 4.359 3.960 -0.001 0.000 0.216 118 G HA3 0.400 4.359 3.960 -0.001 0.000 0.216 118 G C 1.735 176.652 174.900 0.028 0.000 1.124 118 G CA 1.733 46.854 45.100 0.036 0.000 0.764 118 G HN 2.649 nan 8.290 nan 0.000 0.550 119 G N -1.849 106.970 108.800 0.032 0.000 2.211 119 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.201 119 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.201 119 G C 0.166 175.083 174.900 0.028 0.000 0.997 119 G CA 0.050 45.166 45.100 0.026 0.000 0.652 119 G HN 0.605 nan 8.290 nan 0.000 0.500 120 Q N 0.209 120.030 119.800 0.034 0.000 2.257 120 Q HA 0.639 4.978 4.340 -0.001 0.000 0.262 120 Q C -0.085 175.944 176.000 0.048 0.000 0.997 120 Q CA -0.577 55.245 55.803 0.030 0.000 0.873 120 Q CB 1.888 30.639 28.738 0.022 0.000 1.312 120 Q HN 0.413 nan 8.270 nan 0.000 0.450 121 Q N 1.104 120.929 119.800 0.041 0.000 2.180 121 Q HA 0.376 4.715 4.340 -0.001 0.000 0.241 121 Q C -1.394 174.660 176.000 0.089 0.000 0.970 121 Q CA -0.624 55.222 55.803 0.072 0.000 0.919 121 Q CB 0.921 29.691 28.738 0.053 0.000 1.222 121 Q HN 0.589 nan 8.270 nan 0.000 0.482 122 F N 1.298 121.235 119.950 -0.023 0.000 2.384 122 F HA 0.310 4.836 4.527 -0.001 0.000 0.338 122 F C -0.856 174.912 175.800 -0.053 0.000 1.103 122 F CA 0.060 58.038 58.000 -0.038 0.000 1.157 122 F CB 0.951 39.932 39.000 -0.032 0.000 1.167 122 F HN 0.455 nan 8.300 nan 0.000 0.529 123 Q N 7.111 126.286 119.800 -1.041 0.000 2.280 123 Q HA 0.290 4.630 4.340 -0.001 0.000 0.259 123 Q C -2.516 172.883 176.000 -1.003 0.000 0.964 123 Q CA -1.975 53.387 55.803 -0.734 0.000 0.844 123 Q CB 2.075 30.595 28.738 -0.362 0.000 1.334 123 Q HN 0.450 nan 8.270 nan 0.000 0.423 124 P HA 0.115 nan 4.420 nan 0.000 0.274 124 P C -0.939 176.164 177.300 -0.328 0.000 1.237 124 P CA -0.199 62.664 63.100 -0.395 0.000 0.793 124 P CB 0.758 32.442 31.700 -0.027 0.000 0.977 125 H N -0.551 118.463 119.070 -0.094 0.000 2.610 125 H HA 0.135 4.690 4.556 -0.001 0.000 0.336 125 H C 0.609 175.917 175.328 -0.033 0.000 1.087 125 H CA -0.235 55.775 56.048 -0.063 0.000 1.405 125 H CB 0.357 30.093 29.762 -0.043 0.000 1.460 125 H HN 0.371 nan 8.280 nan 0.000 0.538 126 Q N 1.796 121.639 119.800 0.072 0.000 2.315 126 Q HA 0.270 4.609 4.340 -0.001 0.000 0.289 126 Q C -0.438 175.594 176.000 0.054 0.000 1.044 126 Q CA -0.477 55.352 55.803 0.044 0.000 0.920 126 Q CB 0.645 29.398 28.738 0.025 0.000 1.214 126 Q HN 0.679 nan 8.270 nan 0.000 0.392 127 A N 4.322 127.170 122.820 0.046 0.000 2.440 127 A HA 0.417 4.736 4.320 -0.001 0.000 0.251 127 A C -1.933 175.672 177.584 0.035 0.000 1.089 127 A CA -1.250 50.813 52.037 0.045 0.000 0.779 127 A CB -0.319 18.708 19.000 0.046 0.000 1.022 127 A HN 0.721 nan 8.150 nan 0.000 0.492 128 P HA 0.254 nan 4.420 nan 0.000 0.271 128 P C -2.489 174.850 177.300 0.066 0.000 1.238 128 P CA -0.862 62.253 63.100 0.025 0.000 0.794 128 P CB -0.567 31.142 31.700 0.015 0.000 0.959 129 P HA -0.067 nan 4.420 nan 0.000 0.264 129 P C 0.961 178.325 177.300 0.107 0.000 1.183 129 P CA -0.051 63.119 63.100 0.117 0.000 0.763 129 P CB 0.194 32.011 31.700 0.196 0.000 0.807 130 L N 5.557 126.816 121.223 0.061 0.000 2.054 130 L HA -0.273 4.066 4.340 -0.001 0.000 0.220 130 L C 1.971 178.854 176.870 0.022 0.000 1.081 130 L CA 2.037 56.900 54.840 0.039 0.000 0.780 130 L CB -1.138 40.936 42.059 0.025 0.000 0.893 130 L HN 0.213 nan 8.230 nan 0.000 0.438 131 V N -0.232 119.680 119.914 -0.004 0.000 2.231 131 V HA -0.413 3.706 4.120 -0.001 0.000 0.250 131 V C 2.541 178.560 176.094 -0.126 0.000 1.058 131 V CA 2.356 64.600 62.300 -0.094 0.000 1.022 131 V CB -1.102 30.612 31.823 -0.181 0.000 0.640 131 V HN 0.608 nan 8.190 nan 0.000 0.445 132 H N -1.225 117.840 119.070 -0.009 0.000 2.421 132 H HA -0.124 4.431 4.556 -0.001 0.000 0.298 132 H C 2.278 177.596 175.328 -0.017 0.000 1.087 132 H CA 1.933 57.972 56.048 -0.015 0.000 1.330 132 H CB -0.136 29.618 29.762 -0.012 0.000 1.388 132 H HN 0.420 nan 8.280 nan 0.000 0.526 133 I N 1.328 121.957 120.570 0.098 0.000 2.286 133 I HA -0.230 3.939 4.170 -0.001 0.000 0.248 133 I C 2.183 178.312 176.117 0.019 0.000 1.115 133 I CA 1.108 62.440 61.300 0.054 0.000 1.392 133 I CB -0.423 37.605 38.000 0.047 0.000 1.065 133 I HN 0.078 nan 8.210 nan 0.000 0.418 134 L N -0.781 120.442 121.223 -0.000 0.000 2.023 134 L HA -0.138 4.202 4.340 -0.001 0.000 0.205 134 L C 2.475 179.310 176.870 -0.059 0.000 1.073 134 L CA 1.106 55.932 54.840 -0.024 0.000 0.745 134 L CB -0.736 41.309 42.059 -0.024 0.000 0.900 134 L HN 0.196 nan 8.230 nan 0.000 0.435 135 L N -0.163 121.021 121.223 -0.066 0.000 2.191 135 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 135 L C 1.966 178.786 176.870 -0.085 0.000 1.103 135 L CA 0.844 55.632 54.840 -0.086 0.000 0.769 135 L CB -0.699 41.305 42.059 -0.090 0.000 0.908 135 L HN 0.297 nan 8.230 nan 0.000 0.438 136 D N 0.453 120.828 120.400 -0.041 0.000 2.264 136 D HA -0.147 4.492 4.640 -0.001 0.000 0.208 136 D C 2.164 178.417 176.300 -0.079 0.000 0.966 136 D CA 1.081 55.060 54.000 -0.035 0.000 0.864 136 D CB -0.155 40.651 40.800 0.009 0.000 0.933 136 D HN 0.534 nan 8.370 nan 0.000 0.499 137 I N -1.743 118.757 120.570 -0.116 0.000 2.454 137 I HA -0.111 4.058 4.170 -0.001 0.000 0.254 137 I C 0.500 176.408 176.117 -0.348 0.000 1.156 137 I CA 0.565 61.773 61.300 -0.152 0.000 1.433 137 I CB -0.371 37.553 38.000 -0.127 0.000 1.082 137 I HN -0.290 nan 8.210 nan 0.000 0.432 138 V N 4.533 124.178 119.914 -0.448 0.000 2.372 138 V HA 0.272 4.391 4.120 -0.001 0.000 0.261 138 V C -2.036 173.943 176.094 -0.193 0.000 1.055 138 V CA -1.341 60.625 62.300 -0.557 0.000 0.930 138 V CB -0.186 31.365 31.823 -0.454 0.000 1.031 138 V HN 0.173 nan 8.190 nan 0.000 0.479 139 P HA 0.041 nan 4.420 nan 0.000 0.266 139 P C 0.883 178.181 177.300 -0.004 0.000 1.195 139 P CA 0.247 63.339 63.100 -0.012 0.000 0.768 139 P CB 0.668 32.381 31.700 0.022 0.000 0.838 140 T N 0.451 114.998 114.554 -0.012 0.000 3.057 140 T HA 0.031 4.380 4.350 -0.001 0.000 0.254 140 T C 0.454 175.158 174.700 0.008 0.000 1.094 140 T CA 0.555 62.656 62.100 0.003 0.000 1.088 140 T CB -0.524 68.344 68.868 0.000 0.000 0.934 140 T HN 0.371 nan 8.240 nan 0.000 0.497 141 N N 0.418 119.109 118.700 -0.015 0.000 2.839 141 N HA 0.308 5.048 4.740 -0.001 0.000 0.230 141 N C -2.534 172.922 175.510 -0.091 0.000 1.388 141 N CA -1.512 51.535 53.050 -0.005 0.000 0.747 141 N CB 1.388 39.894 38.487 0.031 0.000 1.411 141 N HN -0.111 nan 8.380 nan 0.000 0.556 142 P HA -0.221 nan 4.420 nan 0.000 0.224 142 P C 1.120 178.134 177.300 -0.476 0.000 1.153 142 P CA 1.786 64.507 63.100 -0.632 0.000 0.947 142 P CB -0.019 30.852 31.700 -1.382 0.000 0.790 143 F N -0.809 118.970 119.950 -0.285 0.000 2.063 143 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 143 F C 2.663 178.364 175.800 -0.166 0.000 1.109 143 F CA 1.975 59.849 58.000 -0.211 0.000 1.212 143 F CB -1.735 37.173 39.000 -0.153 0.000 0.973 143 F HN -0.021 nan 8.300 nan 0.000 0.480 144 G N -0.499 108.337 108.800 0.060 0.000 2.484 144 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.215 144 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.215 144 G C 1.910 176.784 174.900 -0.043 0.000 1.219 144 G CA 1.117 46.217 45.100 0.001 0.000 0.791 144 G HN 0.486 nan 8.290 nan 0.000 0.550 145 A N 0.344 123.127 122.820 -0.061 0.000 1.915 145 A HA -0.146 4.173 4.320 -0.001 0.000 0.220 145 A C 2.418 179.957 177.584 -0.075 0.000 1.198 145 A CA 2.201 54.201 52.037 -0.062 0.000 0.647 145 A CB -0.607 18.357 19.000 -0.060 0.000 0.825 145 A HN 0.539 nan 8.150 nan 0.000 0.456 146 L N -0.682 120.470 121.223 -0.118 0.000 2.044 146 L HA 0.058 4.397 4.340 -0.001 0.000 0.205 146 L C 2.746 179.546 176.870 -0.116 0.000 1.075 146 L CA 2.193 56.949 54.840 -0.139 0.000 0.747 146 L CB -1.099 40.805 42.059 -0.260 0.000 0.903 146 L HN 0.384 nan 8.230 nan 0.000 0.435 147 A N 0.597 123.362 122.820 -0.092 0.000 1.896 147 A HA -0.255 4.065 4.320 -0.001 0.000 0.220 147 A C 0.957 178.501 177.584 -0.067 0.000 1.206 147 A CA 2.107 54.105 52.037 -0.066 0.000 0.647 147 A CB -1.301 17.679 19.000 -0.034 0.000 0.828 147 A HN 0.750 nan 8.150 nan 0.000 0.455 148 N N -0.629 118.035 118.700 -0.061 0.000 2.816 148 N HA 0.440 5.180 4.740 -0.001 0.000 0.236 148 N C 0.616 176.085 175.510 -0.069 0.000 1.076 148 N CA 0.329 53.343 53.050 -0.059 0.000 0.902 148 N CB -0.135 38.325 38.487 -0.045 0.000 1.149 148 N HN 0.821 nan 8.380 nan 0.000 0.506 149 G N 1.933 110.676 108.800 -0.095 0.000 2.602 149 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.317 149 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.317 149 G C -0.276 174.566 174.900 -0.098 0.000 1.327 149 G CA 0.803 45.822 45.100 -0.135 0.000 0.971 149 G HN 1.180 nan 8.290 nan 0.000 0.540 150 Q N -2.020 117.731 119.800 -0.081 0.000 2.418 150 Q HA -0.124 4.215 4.340 -0.001 0.000 0.340 150 Q C 1.016 177.004 176.000 -0.019 0.000 1.428 150 Q CA 0.577 56.361 55.803 -0.032 0.000 0.874 150 Q CB -1.236 27.485 28.738 -0.027 0.000 1.094 150 Q HN 1.164 nan 8.270 nan 0.000 0.334 151 V N 2.929 122.836 119.914 -0.012 0.000 2.244 151 V HA -0.307 3.812 4.120 -0.001 0.000 0.235 151 V C 2.092 178.228 176.094 0.070 0.000 1.026 151 V CA 1.944 64.258 62.300 0.024 0.000 0.990 151 V CB -0.706 31.142 31.823 0.042 0.000 0.640 151 V HN 0.690 nan 8.190 nan 0.000 0.463 152 L N 0.060 121.332 121.223 0.082 0.000 2.169 152 L HA -0.278 4.061 4.340 -0.001 0.000 0.244 152 L C 0.091 177.042 176.870 0.135 0.000 1.122 152 L CA 3.156 58.057 54.840 0.103 0.000 0.848 152 L CB -2.924 39.182 42.059 0.078 0.000 0.953 152 L HN 0.302 nan 8.230 nan 0.000 0.447 153 P HA -0.218 nan 4.420 nan 0.000 0.219 153 P C 1.732 179.159 177.300 0.212 0.000 1.158 153 P CA 2.410 65.573 63.100 0.105 0.000 0.895 153 P CB -0.296 31.428 31.700 0.039 0.000 0.792 154 T N -0.644 114.007 114.554 0.162 0.000 2.595 154 T HA -0.174 4.175 4.350 -0.001 0.000 0.264 154 T C 1.678 176.543 174.700 0.274 0.000 1.058 154 T CA 1.649 63.880 62.100 0.218 0.000 1.166 154 T CB -1.062 67.899 68.868 0.155 0.000 0.863 154 T HN -0.079 nan 8.240 nan 0.000 0.415 155 I N 1.124 121.812 120.570 0.198 0.000 2.094 155 I HA -0.227 3.942 4.170 -0.001 0.000 0.236 155 I C 1.969 178.189 176.117 0.171 0.000 1.016 155 I CA 1.451 62.842 61.300 0.152 0.000 1.294 155 I CB -1.147 36.931 38.000 0.130 0.000 1.006 155 I HN 0.191 nan 8.210 nan 0.000 0.397 156 F N 0.499 120.501 119.950 0.087 0.000 2.063 156 F HA -0.394 4.132 4.527 -0.001 0.000 0.297 156 F C 2.473 178.333 175.800 0.099 0.000 1.099 156 F CA 2.179 60.227 58.000 0.080 0.000 1.220 156 F CB -0.678 38.376 39.000 0.089 0.000 0.972 156 F HN 0.096 nan 8.300 nan 0.000 0.487 157 F N 0.584 120.662 119.950 0.213 0.000 2.171 157 F HA -0.091 4.436 4.527 -0.001 0.000 0.300 157 F C 2.280 178.042 175.800 -0.063 0.000 1.090 157 F CA 1.432 59.483 58.000 0.085 0.000 1.293 157 F CB -0.894 38.213 39.000 0.178 0.000 1.013 157 F HN 0.049 nan 8.300 nan 0.000 0.486 158 A N 0.567 123.406 122.820 0.032 0.000 1.883 158 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 158 A C 2.033 179.423 177.584 -0.324 0.000 1.186 158 A CA 2.116 54.003 52.037 -0.250 0.000 0.624 158 A CB -1.125 17.724 19.000 -0.252 0.000 0.822 158 A HN 0.375 nan 8.150 nan 0.000 0.444 159 I N -0.209 120.204 120.570 -0.261 0.000 2.163 159 I HA -0.229 3.941 4.170 -0.001 0.000 0.243 159 I C 2.085 178.009 176.117 -0.321 0.000 1.085 159 I CA 1.150 62.296 61.300 -0.256 0.000 1.347 159 I CB -0.614 37.253 38.000 -0.221 0.000 1.044 159 I HN 0.224 nan 8.210 nan 0.000 0.408 160 I N -0.566 119.727 120.570 -0.462 0.000 2.361 160 I HA -0.222 3.948 4.170 -0.001 0.000 0.251 160 I C 2.239 178.106 176.117 -0.416 0.000 1.133 160 I CA 1.108 62.135 61.300 -0.456 0.000 1.413 160 I CB -0.733 36.928 38.000 -0.566 0.000 1.073 160 I HN 0.177 nan 8.210 nan 0.000 0.424 161 L N 0.590 121.490 121.223 -0.538 0.000 2.023 161 L HA 0.069 4.408 4.340 -0.001 0.000 0.205 161 L C 2.427 179.138 176.870 -0.266 0.000 1.073 161 L CA 2.130 56.693 54.840 -0.462 0.000 0.745 161 L CB -1.501 40.239 42.059 -0.533 0.000 0.900 161 L HN 0.229 nan 8.230 nan 0.000 0.435 162 G N 0.193 108.837 108.800 -0.260 0.000 2.545 162 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.217 162 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.217 162 G C 1.642 176.471 174.900 -0.117 0.000 1.218 162 G CA 1.387 46.380 45.100 -0.179 0.000 0.787 162 G HN 0.481 nan 8.290 nan 0.000 0.571 163 I N 1.562 122.068 120.570 -0.107 0.000 2.423 163 I HA -0.223 3.947 4.170 -0.001 0.000 0.254 163 I C 3.199 179.368 176.117 0.086 0.000 1.151 163 I CA 0.924 62.215 61.300 -0.014 0.000 1.421 163 I CB -0.208 37.790 38.000 -0.003 0.000 1.079 163 I HN 0.278 nan 8.210 nan 0.000 0.431 164 A N 1.125 123.945 122.820 0.000 0.000 1.897 164 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 164 A C 2.278 179.898 177.584 0.060 0.000 1.181 164 A CA 1.040 53.101 52.037 0.041 0.000 0.620 164 A CB -0.612 18.350 19.000 -0.064 0.000 0.821 164 A HN 0.340 nan 8.150 nan 0.000 0.443 165 I N 0.787 121.349 120.570 -0.013 0.000 2.194 165 I HA -0.302 3.867 4.170 -0.001 0.000 0.246 165 I C 2.905 179.012 176.117 -0.016 0.000 1.093 165 I CA 1.932 63.221 61.300 -0.017 0.000 1.355 165 I CB -0.951 37.022 38.000 -0.046 0.000 1.046 165 I HN 0.570 nan 8.210 nan 0.000 0.413 166 T N -0.586 113.938 114.554 -0.051 0.000 2.635 166 T HA -0.296 4.054 4.350 -0.001 0.000 0.267 166 T C 1.791 176.393 174.700 -0.163 0.000 1.040 166 T CA 1.663 63.676 62.100 -0.145 0.000 1.156 166 T CB -1.188 67.527 68.868 -0.255 0.000 0.863 166 T HN 0.335 nan 8.240 nan 0.000 0.430 167 Y N 1.810 122.088 120.300 -0.036 0.000 2.556 167 Y HA 0.164 4.713 4.550 -0.001 0.000 0.290 167 Y C 2.293 178.180 175.900 -0.021 0.000 1.149 167 Y CA 0.429 58.513 58.100 -0.027 0.000 1.329 167 Y CB -0.641 37.802 38.460 -0.029 0.000 0.975 167 Y HN 0.229 nan 8.280 nan 0.000 0.561 168 L N -1.249 120.026 121.223 0.087 0.000 2.270 168 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 168 L C 1.933 178.815 176.870 0.020 0.000 1.104 168 L CA 0.653 55.523 54.840 0.051 0.000 0.804 168 L CB -0.349 41.730 42.059 0.034 0.000 0.937 168 L HN 0.289 nan 8.230 nan 0.000 0.450 169 M N -0.236 119.359 119.600 -0.007 0.000 2.557 169 M HA -0.068 4.412 4.480 -0.001 0.000 0.259 169 M C 0.885 177.172 176.300 -0.021 0.000 1.086 169 M CA 1.016 56.303 55.300 -0.023 0.000 1.096 169 M CB -0.219 32.354 32.600 -0.045 0.000 1.424 169 M HN 0.222 nan 8.290 nan 0.000 0.488 170 N N -0.190 118.502 118.700 -0.013 0.000 2.280 170 N HA 0.047 4.786 4.740 -0.001 0.000 0.192 170 N C 0.238 175.760 175.510 0.020 0.000 1.109 170 N CA 0.103 53.150 53.050 -0.004 0.000 0.855 170 N CB 0.297 38.781 38.487 -0.005 0.000 0.974 170 N HN 0.043 nan 8.380 nan 0.000 0.482 171 S N 1.240 116.955 115.700 0.025 0.000 2.525 171 S HA -0.006 4.463 4.470 -0.001 0.000 0.285 171 S C 1.314 175.924 174.600 0.017 0.000 1.283 171 S CA -0.337 57.879 58.200 0.027 0.000 1.072 171 S CB 0.613 63.829 63.200 0.027 0.000 0.867 171 S HN 0.080 nan 8.310 nan 0.000 0.492 172 E N 3.393 123.603 120.200 0.017 0.000 2.065 172 E HA -0.189 4.160 4.350 -0.001 0.000 0.201 172 E C 0.815 177.421 176.600 0.010 0.000 1.016 172 E CA 0.911 57.318 56.400 0.012 0.000 0.818 172 E CB -0.649 29.058 29.700 0.011 0.000 0.749 172 E HN 0.755 nan 8.360 nan 0.000 0.453 173 N N 1.491 120.198 118.700 0.011 0.000 2.412 173 N HA -0.122 4.617 4.740 -0.001 0.000 0.254 173 N C 0.757 176.272 175.510 0.009 0.000 1.232 173 N CA 0.354 53.410 53.050 0.010 0.000 0.880 173 N CB 1.115 39.609 38.487 0.012 0.000 1.076 173 N HN -0.075 nan 8.380 nan 0.000 0.458 174 E N 3.336 123.540 120.200 0.007 0.000 2.122 174 E HA -0.047 4.302 4.350 -0.001 0.000 0.190 174 E C 1.481 178.085 176.600 0.007 0.000 0.977 174 E CA 1.200 57.603 56.400 0.006 0.000 0.820 174 E CB -0.052 29.651 29.700 0.004 0.000 0.770 174 E HN 0.700 nan 8.360 nan 0.000 0.462 175 K N -0.061 120.344 120.400 0.008 0.000 2.032 175 K HA -0.122 4.197 4.320 -0.001 0.000 0.209 175 K C 1.895 178.502 176.600 0.012 0.000 1.048 175 K CA 1.637 57.930 56.287 0.010 0.000 0.927 175 K CB -0.130 32.377 32.500 0.011 0.000 0.712 175 K HN 0.064 nan 8.250 nan 0.000 0.441 176 V N 1.084 121.006 119.914 0.013 0.000 2.237 176 V HA -0.295 3.824 4.120 -0.001 0.000 0.245 176 V C 2.982 179.084 176.094 0.013 0.000 1.046 176 V CA 2.592 64.901 62.300 0.016 0.000 1.007 176 V CB -1.205 30.629 31.823 0.018 0.000 0.638 176 V HN 0.565 nan 8.190 nan 0.000 0.445 177 R N 0.389 120.895 120.500 0.010 0.000 2.117 177 R HA -0.237 4.102 4.340 -0.001 0.000 0.243 177 R C 2.236 178.538 176.300 0.003 0.000 1.143 177 R CA 2.143 58.246 56.100 0.005 0.000 0.968 177 R CB -0.978 29.323 30.300 0.003 0.000 0.863 177 R HN 0.519 nan 8.270 nan 0.000 0.444 178 K N 0.362 120.765 120.400 0.005 0.000 2.076 178 K HA 0.034 4.354 4.320 -0.001 0.000 0.204 178 K C 2.239 178.844 176.600 0.008 0.000 1.051 178 K CA 1.648 57.938 56.287 0.005 0.000 0.949 178 K CB -0.384 32.119 32.500 0.005 0.000 0.726 178 K HN 0.445 nan 8.250 nan 0.000 0.443 179 S N 1.295 117.002 115.700 0.012 0.000 2.353 179 S HA -0.172 4.297 4.470 -0.001 0.000 0.222 179 S C 2.139 176.748 174.600 0.015 0.000 1.035 179 S CA 1.565 59.775 58.200 0.016 0.000 1.025 179 S CB -0.535 62.677 63.200 0.021 0.000 0.902 179 S HN 0.524 nan 8.310 nan 0.000 0.440 180 A N 1.461 124.288 122.820 0.012 0.000 1.927 180 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 180 A C 2.185 179.770 177.584 0.001 0.000 1.185 180 A CA 2.521 54.562 52.037 0.007 0.000 0.639 180 A CB -1.502 17.500 19.000 0.003 0.000 0.820 180 A HN 0.648 nan 8.150 nan 0.000 0.451 181 E N -0.524 119.675 120.200 -0.001 0.000 2.058 181 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 181 E C 2.178 178.778 176.600 0.001 0.000 0.997 181 E CA 2.733 59.130 56.400 -0.005 0.000 0.801 181 E CB -1.873 27.824 29.700 -0.005 0.000 0.746 181 E HN 0.975 nan 8.360 nan 0.000 0.450 182 T N -0.595 113.963 114.554 0.007 0.000 2.639 182 T HA -0.102 4.247 4.350 -0.001 0.000 0.261 182 T C 2.186 176.897 174.700 0.019 0.000 1.053 182 T CA 1.585 63.692 62.100 0.013 0.000 1.158 182 T CB -0.682 68.196 68.868 0.016 0.000 0.863 182 T HN 0.407 nan 8.240 nan 0.000 0.413 183 L N 0.483 121.721 121.223 0.025 0.000 2.010 183 L HA -0.131 4.208 4.340 -0.001 0.000 0.219 183 L C 2.643 179.531 176.870 0.029 0.000 1.077 183 L CA 2.073 56.935 54.840 0.036 0.000 0.773 183 L CB -0.625 41.458 42.059 0.041 0.000 0.892 183 L HN 0.329 nan 8.230 nan 0.000 0.436 184 L N 0.353 121.582 121.223 0.010 0.000 2.127 184 L HA -0.260 4.079 4.340 -0.001 0.000 0.211 184 L C 2.095 178.965 176.870 -0.001 0.000 1.089 184 L CA 2.251 57.087 54.840 -0.007 0.000 0.757 184 L CB -0.906 41.139 42.059 -0.023 0.000 0.899 184 L HN 0.461 nan 8.230 nan 0.000 0.434 185 D N -0.617 119.786 120.400 0.006 0.000 2.097 185 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 185 D C 2.086 178.399 176.300 0.021 0.000 0.984 185 D CA 1.386 55.391 54.000 0.008 0.000 0.826 185 D CB 0.067 40.871 40.800 0.007 0.000 0.973 185 D HN 0.404 nan 8.370 nan 0.000 0.460 186 A N 0.822 123.661 122.820 0.031 0.000 1.858 186 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 186 A C 2.600 180.219 177.584 0.058 0.000 1.190 186 A CA 1.565 53.628 52.037 0.043 0.000 0.617 186 A CB -0.962 18.067 19.000 0.050 0.000 0.827 186 A HN 0.361 nan 8.150 nan 0.000 0.443 187 I N 0.096 120.706 120.570 0.068 0.000 2.068 187 I HA -0.265 3.905 4.170 -0.001 0.000 0.238 187 I C 1.243 177.400 176.117 0.067 0.000 1.046 187 I CA 1.296 62.650 61.300 0.090 0.000 1.306 187 I CB -0.819 37.215 38.000 0.056 0.000 1.023 187 I HN 0.392 nan 8.210 nan 0.000 0.399 188 N N 0.807 119.529 118.700 0.036 0.000 2.458 188 N HA 0.112 4.851 4.740 -0.001 0.000 0.258 188 N C 0.541 176.082 175.510 0.051 0.000 1.219 188 N CA 1.430 54.503 53.050 0.038 0.000 0.902 188 N CB 1.169 39.662 38.487 0.010 0.000 1.076 188 N HN 0.558 nan 8.380 nan 0.000 0.455 189 G N 2.439 111.282 108.800 0.072 0.000 2.493 189 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.206 189 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.206 189 G C 0.786 175.732 174.900 0.075 0.000 1.109 189 G CA 0.279 45.418 45.100 0.065 0.000 0.689 189 G HN 0.576 nan 8.290 nan 0.000 0.516 190 L N 2.098 123.365 121.223 0.073 0.000 2.017 190 L HA 0.528 4.867 4.340 -0.001 0.000 0.208 190 L C 3.049 179.952 176.870 0.055 0.000 1.073 190 L CA 3.378 58.255 54.840 0.063 0.000 0.745 190 L CB -0.871 41.240 42.059 0.087 0.000 0.894 190 L HN 0.840 nan 8.230 nan 0.000 0.432 191 A N -0.963 121.913 122.820 0.094 0.000 1.897 191 A HA -0.169 4.150 4.320 -0.001 0.000 0.215 191 A C 2.239 180.018 177.584 0.323 0.000 1.181 191 A CA 1.347 53.453 52.037 0.115 0.000 0.620 191 A CB -0.678 18.442 19.000 0.200 0.000 0.821 191 A HN 0.493 nan 8.150 nan 0.000 0.443 192 E N 0.479 120.885 120.200 0.344 0.000 2.153 192 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 192 E C 1.845 178.645 176.600 0.332 0.000 0.988 192 E CA 1.477 58.105 56.400 0.379 0.000 0.811 192 E CB -0.381 29.397 29.700 0.130 0.000 0.746 192 E HN 0.475 nan 8.360 nan 0.000 0.466 193 A N 0.057 122.974 122.820 0.161 0.000 1.970 193 A HA -0.061 4.258 4.320 -0.001 0.000 0.216 193 A C 1.996 179.599 177.584 0.032 0.000 1.170 193 A CA 1.279 53.367 52.037 0.084 0.000 0.645 193 A CB -0.313 18.713 19.000 0.044 0.000 0.816 193 A HN 0.242 nan 8.150 nan 0.000 0.447 194 M N -1.116 118.444 119.600 -0.067 0.000 2.358 194 M HA -0.102 4.377 4.480 -0.001 0.000 0.264 194 M C 1.697 177.838 176.300 -0.264 0.000 1.064 194 M CA 1.115 56.285 55.300 -0.217 0.000 1.093 194 M CB -1.385 30.997 32.600 -0.364 0.000 1.401 194 M HN 0.605 nan 8.290 nan 0.000 0.440 195 Y N 0.604 120.904 120.300 -0.000 0.000 2.286 195 Y HA -0.075 4.475 4.550 -0.001 0.000 0.293 195 Y C 2.392 178.291 175.900 -0.001 0.000 1.124 195 Y CA 0.781 58.880 58.100 -0.002 0.000 1.178 195 Y CB -0.495 37.963 38.460 -0.004 0.000 1.010 195 Y HN 0.094 nan 8.280 nan 0.000 0.536 196 K N 0.676 121.165 120.400 0.147 0.000 2.113 196 K HA -0.177 4.142 4.320 -0.001 0.000 0.208 196 K C 1.931 178.560 176.600 0.048 0.000 1.047 196 K CA 1.476 57.813 56.287 0.083 0.000 0.928 196 K CB -0.815 31.721 32.500 0.060 0.000 0.716 196 K HN 0.437 nan 8.250 nan 0.000 0.446 197 I N 0.601 121.182 120.570 0.018 0.000 2.252 197 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 197 I C 2.300 178.412 176.117 -0.008 0.000 1.102 197 I CA 0.793 62.086 61.300 -0.010 0.000 1.385 197 I CB -0.406 37.567 38.000 -0.045 0.000 1.064 197 I HN -0.160 nan 8.210 nan 0.000 0.414 198 V N 1.447 121.358 119.914 -0.005 0.000 2.261 198 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 198 V C 2.189 178.309 176.094 0.043 0.000 1.047 198 V CA 2.135 64.438 62.300 0.006 0.000 1.015 198 V CB -0.949 30.895 31.823 0.035 0.000 0.642 198 V HN 0.440 nan 8.190 nan 0.000 0.446 199 N N 1.101 119.842 118.700 0.067 0.000 2.094 199 N HA -0.149 4.590 4.740 -0.001 0.000 0.191 199 N C 1.849 177.401 175.510 0.070 0.000 1.023 199 N CA 1.765 54.857 53.050 0.070 0.000 0.857 199 N CB -0.971 37.557 38.487 0.068 0.000 1.013 199 N HN 0.526 nan 8.380 nan 0.000 0.426 200 G N 0.819 109.653 108.800 0.057 0.000 2.433 200 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 200 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 200 G C 1.687 176.638 174.900 0.086 0.000 1.186 200 G CA 1.017 46.154 45.100 0.061 0.000 0.779 200 G HN 0.208 nan 8.290 nan 0.000 0.543 201 V N 1.643 121.591 119.914 0.056 0.000 2.324 201 V HA -0.226 3.894 4.120 -0.001 0.000 0.250 201 V C 2.901 179.111 176.094 0.193 0.000 1.060 201 V CA 1.838 64.177 62.300 0.065 0.000 1.042 201 V CB -0.432 31.355 31.823 -0.059 0.000 0.650 201 V HN 0.296 nan 8.190 nan 0.000 0.450 202 M N -0.388 119.307 119.600 0.158 0.000 2.530 202 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 202 M C 2.064 178.490 176.300 0.211 0.000 1.067 202 M CA 1.310 56.739 55.300 0.215 0.000 1.071 202 M CB -1.188 31.495 32.600 0.139 0.000 1.405 202 M HN 0.443 nan 8.290 nan 0.000 0.478 203 Q N -0.626 119.289 119.800 0.193 0.000 2.389 203 Q HA -0.111 4.229 4.340 -0.001 0.000 0.204 203 Q C 1.501 177.627 176.000 0.210 0.000 0.944 203 Q CA 1.075 56.976 55.803 0.164 0.000 0.908 203 Q CB -0.220 28.597 28.738 0.132 0.000 1.002 203 Q HN 0.569 nan 8.270 nan 0.000 0.493 204 Y N -0.919 119.483 120.300 0.170 0.000 2.478 204 Y HA 0.365 4.914 4.550 -0.001 0.000 0.261 204 Y C 1.722 177.775 175.900 0.256 0.000 1.127 204 Y CA 0.422 58.645 58.100 0.205 0.000 1.288 204 Y CB -0.076 38.530 38.460 0.242 0.000 1.084 204 Y HN 0.147 nan 8.280 nan 0.000 0.530 205 A N 2.002 125.062 122.820 0.399 0.000 1.903 205 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 205 A C -0.086 177.379 177.584 -0.199 0.000 1.191 205 A CA 2.067 54.235 52.037 0.217 0.000 0.638 205 A CB -2.019 17.149 19.000 0.279 0.000 0.823 205 A HN 0.442 nan 8.150 nan 0.000 0.451 206 P HA -0.199 nan 4.420 nan 0.000 0.214 206 P C 1.587 178.744 177.300 -0.238 0.000 1.163 206 P CA 1.515 64.522 63.100 -0.155 0.000 0.889 206 P CB -0.269 31.363 31.700 -0.114 0.000 0.790 207 I N -0.404 119.927 120.570 -0.397 0.000 2.163 207 I HA -0.144 4.025 4.170 -0.001 0.000 0.240 207 I C 2.812 178.703 176.117 -0.377 0.000 1.081 207 I CA 1.810 62.825 61.300 -0.475 0.000 1.353 207 I CB -1.547 35.974 38.000 -0.798 0.000 1.054 207 I HN 0.001 nan 8.210 nan 0.000 0.407 208 G N 0.951 109.414 108.800 -0.561 0.000 2.491 208 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 208 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 208 G C 1.719 176.356 174.900 -0.437 0.000 1.180 208 G CA 1.208 46.080 45.100 -0.380 0.000 0.774 208 G HN 0.243 nan 8.290 nan 0.000 0.562 209 V N 0.434 120.008 119.914 -0.567 0.000 2.332 209 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 209 V C 2.355 178.367 176.094 -0.137 0.000 1.055 209 V CA 1.956 64.058 62.300 -0.331 0.000 1.038 209 V CB -0.688 30.982 31.823 -0.255 0.000 0.651 209 V HN 0.393 nan 8.190 nan 0.000 0.450 210 F N 1.203 121.024 119.950 -0.215 0.000 2.161 210 F HA -0.181 4.345 4.527 -0.001 0.000 0.300 210 F C 2.192 177.945 175.800 -0.078 0.000 1.089 210 F CA 1.471 59.387 58.000 -0.140 0.000 1.282 210 F CB -0.324 38.578 39.000 -0.164 0.000 1.010 210 F HN 0.084 nan 8.300 nan 0.000 0.485 211 A N 0.695 123.542 122.820 0.046 0.000 1.854 211 A HA -0.042 4.277 4.320 -0.001 0.000 0.214 211 A C 2.215 179.805 177.584 0.011 0.000 1.192 211 A CA 1.445 53.520 52.037 0.064 0.000 0.611 211 A CB -1.116 18.003 19.000 0.198 0.000 0.832 211 A HN 0.420 nan 8.150 nan 0.000 0.442 212 L N -0.129 121.093 121.223 -0.002 0.000 1.941 212 L HA -0.278 4.061 4.340 -0.001 0.000 0.224 212 L C 2.589 179.481 176.870 0.037 0.000 1.081 212 L CA 2.128 56.984 54.840 0.027 0.000 0.784 212 L CB -1.049 41.009 42.059 -0.002 0.000 0.894 212 L HN 0.642 nan 8.230 nan 0.000 0.436 213 I N -1.052 119.491 120.570 -0.045 0.000 2.335 213 I HA -0.183 3.986 4.170 -0.001 0.000 0.251 213 I C 2.525 178.582 176.117 -0.100 0.000 1.129 213 I CA 1.355 62.618 61.300 -0.061 0.000 1.402 213 I CB -1.401 36.542 38.000 -0.095 0.000 1.069 213 I HN 0.158 nan 8.210 nan 0.000 0.424 214 A N 0.264 122.968 122.820 -0.193 0.000 1.883 214 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 214 A C 2.436 179.987 177.584 -0.055 0.000 1.186 214 A CA 2.020 53.908 52.037 -0.248 0.000 0.624 214 A CB -1.443 17.306 19.000 -0.419 0.000 0.822 214 A HN 0.650 nan 8.150 nan 0.000 0.444 215 Y N 0.588 120.841 120.300 -0.079 0.000 2.133 215 Y HA -0.151 4.398 4.550 -0.001 0.000 0.287 215 Y C 2.288 178.189 175.900 0.001 0.000 1.134 215 Y CA 2.006 60.102 58.100 -0.006 0.000 1.133 215 Y CB -0.329 38.148 38.460 0.029 0.000 0.987 215 Y HN 0.045 nan 8.280 nan 0.000 0.502 216 V N 0.678 120.661 119.914 0.115 0.000 2.828 216 V HA -0.333 3.787 4.120 -0.001 0.000 0.260 216 V C 2.023 178.071 176.094 -0.076 0.000 1.101 216 V CA 1.697 64.012 62.300 0.024 0.000 1.123 216 V CB -0.639 31.238 31.823 0.089 0.000 0.704 216 V HN 0.503 nan 8.190 nan 0.000 0.493 217 M N -0.699 118.847 119.600 -0.090 0.000 2.466 217 M HA 0.172 4.651 4.480 -0.001 0.000 0.265 217 M C 2.364 178.593 176.300 -0.118 0.000 1.122 217 M CA 1.488 56.733 55.300 -0.091 0.000 1.157 217 M CB -1.149 31.402 32.600 -0.081 0.000 1.352 217 M HN 0.355 nan 8.290 nan 0.000 0.464 218 A N 0.415 123.142 122.820 -0.154 0.000 1.969 218 A HA -0.067 4.252 4.320 -0.001 0.000 0.218 218 A C 0.989 178.460 177.584 -0.187 0.000 1.169 218 A CA 1.100 53.049 52.037 -0.146 0.000 0.635 218 A CB -0.196 18.721 19.000 -0.139 0.000 0.810 218 A HN 0.500 nan 8.150 nan 0.000 0.445 219 E N -1.856 118.179 120.200 -0.276 0.000 2.281 219 E HA 0.456 4.806 4.350 -0.001 0.000 0.262 219 E C -0.279 176.221 176.600 -0.166 0.000 0.933 219 E CA -0.930 55.325 56.400 -0.242 0.000 0.809 219 E CB 0.825 30.308 29.700 -0.362 0.000 1.242 219 E HN 0.195 nan 8.360 nan 0.000 0.418 220 Q N -0.697 119.030 119.800 -0.121 0.000 2.342 220 Q HA -0.254 4.086 4.340 -0.001 0.000 0.196 220 Q C 0.714 176.664 176.000 -0.084 0.000 0.629 220 Q CA 1.237 56.986 55.803 -0.090 0.000 1.365 220 Q CB -2.168 26.531 28.738 -0.065 0.000 1.406 220 Q HN 1.066 nan 8.270 nan 0.000 0.840 221 G N -0.439 108.302 108.800 -0.098 0.000 2.611 221 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.301 221 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.301 221 G C 0.636 175.494 174.900 -0.070 0.000 1.233 221 G CA 1.359 46.402 45.100 -0.095 0.000 0.993 221 G HN 0.585 nan 8.290 nan 0.000 0.553 222 V N 0.715 120.598 119.914 -0.051 0.000 3.661 222 V HA 0.257 4.376 4.120 -0.001 0.000 0.271 222 V C 2.834 178.918 176.094 -0.017 0.000 1.315 222 V CA 2.271 64.555 62.300 -0.028 0.000 1.072 222 V CB -0.702 31.113 31.823 -0.013 0.000 0.830 222 V HN 1.312 nan 8.190 nan 0.000 0.443 223 H N 0.588 119.643 119.070 -0.025 0.000 2.466 223 H HA -0.180 4.375 4.556 -0.001 0.000 0.297 223 H C 2.424 177.750 175.328 -0.003 0.000 1.113 223 H CA 2.453 58.490 56.048 -0.019 0.000 1.273 223 H CB -0.719 29.017 29.762 -0.042 0.000 1.371 223 H HN 0.514 nan 8.280 nan 0.000 0.528 224 V N -1.420 118.493 119.914 -0.002 0.000 2.407 224 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 224 V C 2.416 178.538 176.094 0.047 0.000 1.055 224 V CA 1.746 64.065 62.300 0.032 0.000 1.049 224 V CB -1.060 30.782 31.823 0.030 0.000 0.662 224 V HN 0.521 nan 8.190 nan 0.000 0.455 225 V N 2.051 121.980 119.914 0.024 0.000 2.392 225 V HA -0.162 3.957 4.120 -0.001 0.000 0.249 225 V C 2.918 179.035 176.094 0.038 0.000 1.059 225 V CA 2.395 64.709 62.300 0.024 0.000 1.051 225 V CB -1.724 30.106 31.823 0.012 0.000 0.658 225 V HN 0.658 nan 8.190 nan 0.000 0.455 226 G N -0.382 108.442 108.800 0.040 0.000 2.433 226 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 226 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 226 G C 1.471 176.419 174.900 0.080 0.000 1.186 226 G CA 0.674 45.805 45.100 0.052 0.000 0.779 226 G HN 0.490 nan 8.290 nan 0.000 0.543 227 E N 0.609 120.868 120.200 0.097 0.000 2.077 227 E HA -0.049 4.301 4.350 -0.001 0.000 0.193 227 E C 2.735 179.471 176.600 0.227 0.000 0.989 227 E CA 0.468 56.971 56.400 0.171 0.000 0.800 227 E CB -0.437 29.364 29.700 0.167 0.000 0.746 227 E HN 0.450 nan 8.360 nan 0.000 0.452 228 L N 0.475 121.790 121.223 0.153 0.000 2.017 228 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 228 L C 2.581 179.465 176.870 0.023 0.000 1.073 228 L CA 1.402 56.275 54.840 0.055 0.000 0.745 228 L CB -0.608 41.461 42.059 0.016 0.000 0.894 228 L HN 0.070 nan 8.230 nan 0.000 0.432 229 A N -0.404 122.439 122.820 0.039 0.000 1.897 229 A HA -0.179 4.140 4.320 -0.001 0.000 0.215 229 A C 2.346 179.947 177.584 0.030 0.000 1.181 229 A CA 1.264 53.318 52.037 0.028 0.000 0.620 229 A CB -0.383 18.635 19.000 0.030 0.000 0.821 229 A HN 0.166 nan 8.150 nan 0.000 0.443 230 K N 0.464 120.903 120.400 0.065 0.000 2.360 230 K HA -0.053 4.266 4.320 -0.001 0.000 0.201 230 K C 1.598 178.211 176.600 0.021 0.000 1.046 230 K CA 1.430 57.767 56.287 0.084 0.000 0.945 230 K CB -0.458 32.129 32.500 0.145 0.000 0.750 230 K HN 0.317 nan 8.250 nan 0.000 0.464 231 V N 0.084 120.017 119.914 0.032 0.000 2.374 231 V HA -0.133 3.987 4.120 -0.001 0.000 0.241 231 V C 2.171 178.207 176.094 -0.097 0.000 1.034 231 V CA 1.876 64.167 62.300 -0.014 0.000 1.037 231 V CB -0.655 31.125 31.823 -0.073 0.000 0.682 231 V HN 0.274 nan 8.190 nan 0.000 0.463 232 T N 0.980 115.509 114.554 -0.043 0.000 2.665 232 T HA -0.264 4.086 4.350 -0.001 0.000 0.268 232 T C 2.073 176.799 174.700 0.043 0.000 1.035 232 T CA 1.926 64.056 62.100 0.051 0.000 1.151 232 T CB -0.533 68.403 68.868 0.113 0.000 0.862 232 T HN 0.556 nan 8.240 nan 0.000 0.438 233 A N 1.749 124.515 122.820 -0.090 0.000 1.859 233 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 233 A C 2.725 180.016 177.584 -0.488 0.000 1.198 233 A CA 2.326 54.231 52.037 -0.220 0.000 0.629 233 A CB -1.416 17.420 19.000 -0.272 0.000 0.830 233 A HN 0.551 nan 8.150 nan 0.000 0.446 234 A N -0.857 121.450 122.820 -0.855 0.000 1.958 234 A HA -0.051 4.268 4.320 -0.001 0.000 0.221 234 A C 2.236 179.657 177.584 -0.272 0.000 1.178 234 A CA 2.142 53.687 52.037 -0.820 0.000 0.642 234 A CB -1.013 17.706 19.000 -0.468 0.000 0.816 234 A HN 0.432 nan 8.150 nan 0.000 0.453 235 V N -1.552 118.259 119.914 -0.172 0.000 2.227 235 V HA -0.261 3.859 4.120 -0.001 0.000 0.238 235 V C 2.242 178.288 176.094 -0.079 0.000 1.039 235 V CA 1.985 64.212 62.300 -0.120 0.000 0.990 235 V CB -1.386 30.336 31.823 -0.168 0.000 0.635 235 V HN 0.625 nan 8.190 nan 0.000 0.453 236 Y N 1.196 121.490 120.300 -0.010 0.000 2.069 236 Y HA -0.272 4.278 4.550 -0.001 0.000 0.278 236 Y C 2.540 178.462 175.900 0.038 0.000 1.175 236 Y CA 2.226 60.345 58.100 0.033 0.000 1.134 236 Y CB -1.317 37.166 38.460 0.038 0.000 0.965 236 Y HN 0.248 nan 8.280 nan 0.000 0.498 237 V N -2.041 117.968 119.914 0.159 0.000 3.140 237 V HA -0.114 4.005 4.120 -0.001 0.000 0.269 237 V C 1.806 177.985 176.094 0.140 0.000 1.149 237 V CA 1.790 64.177 62.300 0.144 0.000 1.162 237 V CB -1.370 30.549 31.823 0.159 0.000 0.756 237 V HN 0.428 nan 8.190 nan 0.000 0.523 238 G N -0.152 108.709 108.800 0.102 0.000 2.641 238 G HA2 0.135 4.094 3.960 -0.001 0.000 0.207 238 G HA3 0.135 4.094 3.960 -0.001 0.000 0.207 238 G C 1.334 176.304 174.900 0.118 0.000 1.137 238 G CA 0.460 45.618 45.100 0.095 0.000 0.824 238 G HN 0.473 nan 8.290 nan 0.000 0.547 239 L N 1.538 122.823 121.223 0.102 0.000 2.056 239 L HA -0.054 4.286 4.340 -0.001 0.000 0.207 239 L C 3.310 180.293 176.870 0.189 0.000 1.078 239 L CA 1.835 56.752 54.840 0.128 0.000 0.749 239 L CB -0.922 41.174 42.059 0.061 0.000 0.901 239 L HN 0.391 nan 8.230 nan 0.000 0.433 240 T N -1.772 112.898 114.554 0.193 0.000 2.867 240 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 240 T C 1.853 176.676 174.700 0.206 0.000 1.057 240 T CA 0.933 63.151 62.100 0.197 0.000 1.136 240 T CB -0.446 68.524 68.868 0.170 0.000 0.874 240 T HN 0.308 nan 8.240 nan 0.000 0.466 241 L N 0.224 121.562 121.223 0.192 0.000 2.093 241 L HA -0.071 4.268 4.340 -0.001 0.000 0.208 241 L C 2.897 179.915 176.870 0.247 0.000 1.085 241 L CA 1.716 56.672 54.840 0.193 0.000 0.755 241 L CB -0.496 41.665 42.059 0.170 0.000 0.904 241 L HN 0.276 nan 8.230 nan 0.000 0.435 242 Q N 0.805 120.766 119.800 0.269 0.000 2.014 242 Q HA -0.265 4.074 4.340 -0.001 0.000 0.207 242 Q C 1.925 178.188 176.000 0.438 0.000 0.993 242 Q CA 2.730 58.731 55.803 0.331 0.000 0.850 242 Q CB -0.529 28.412 28.738 0.339 0.000 0.916 242 Q HN 0.652 nan 8.270 nan 0.000 0.417 243 I N -0.224 120.661 120.570 0.526 0.000 2.113 243 I HA -0.306 3.864 4.170 -0.001 0.000 0.238 243 I C 2.321 178.806 176.117 0.612 0.000 1.070 243 I CA 1.278 62.978 61.300 0.666 0.000 1.332 243 I CB -0.493 37.699 38.000 0.320 0.000 1.044 243 I HN 0.230 nan 8.210 nan 0.000 0.402 244 L N 0.255 121.764 121.223 0.477 0.000 2.012 244 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 244 L C 2.519 179.554 176.870 0.276 0.000 1.073 244 L CA 1.447 56.514 54.840 0.378 0.000 0.748 244 L CB -0.445 41.698 42.059 0.141 0.000 0.891 244 L HN 0.362 nan 8.230 nan 0.000 0.431 245 L N -1.331 120.020 121.223 0.214 0.000 2.446 245 L HA -0.007 4.332 4.340 -0.001 0.000 0.219 245 L C 1.793 178.681 176.870 0.030 0.000 1.116 245 L CA 0.196 55.113 54.840 0.128 0.000 0.844 245 L CB 0.461 42.609 42.059 0.148 0.000 0.970 245 L HN -0.006 nan 8.230 nan 0.000 0.457 246 V N -1.480 118.452 119.914 0.030 0.000 2.854 246 V HA -0.060 4.060 4.120 -0.001 0.000 0.236 246 V C 1.815 177.784 176.094 -0.208 0.000 1.157 246 V CA 0.541 62.715 62.300 -0.210 0.000 1.187 246 V CB -0.511 31.097 31.823 -0.358 0.000 0.949 246 V HN 0.210 nan 8.190 nan 0.000 0.488 247 Y N 0.125 120.427 120.300 0.003 0.000 2.113 247 Y HA -0.101 4.449 4.550 -0.001 0.000 0.269 247 Y C 2.364 178.180 175.900 -0.140 0.000 1.098 247 Y CA 2.140 60.173 58.100 -0.112 0.000 1.083 247 Y CB -1.083 37.250 38.460 -0.212 0.000 0.997 247 Y HN 0.102 nan 8.280 nan 0.000 0.476 248 F N -0.375 119.636 119.950 0.102 0.000 2.141 248 F HA -0.281 4.245 4.527 -0.001 0.000 0.300 248 F C 2.297 178.098 175.800 0.002 0.000 1.079 248 F CA 1.410 59.422 58.000 0.019 0.000 1.264 248 F CB -1.227 37.794 39.000 0.034 0.000 1.011 248 F HN -0.131 nan 8.300 nan 0.000 0.487 249 V N 0.465 120.479 119.914 0.167 0.000 2.427 249 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 249 V C 1.840 177.946 176.094 0.021 0.000 1.051 249 V CA 1.706 64.044 62.300 0.063 0.000 1.048 249 V CB -0.735 31.093 31.823 0.009 0.000 0.666 249 V HN 0.403 nan 8.190 nan 0.000 0.456 250 L N -2.626 118.606 121.223 0.014 0.000 2.628 250 L HA 0.345 4.685 4.340 -0.001 0.000 0.229 250 L C 1.445 178.398 176.870 0.138 0.000 1.137 250 L CA 1.201 56.079 54.840 0.063 0.000 0.909 250 L CB -0.713 41.379 42.059 0.056 0.000 1.137 250 L HN 0.093 nan 8.230 nan 0.000 0.470 251 L N -0.974 120.276 121.223 0.045 0.000 2.500 251 L HA 0.255 4.594 4.340 -0.001 0.000 0.219 251 L C 2.236 179.137 176.870 0.052 0.000 1.057 251 L CA 0.074 54.912 54.840 -0.004 0.000 0.854 251 L CB -0.289 41.643 42.059 -0.213 0.000 1.078 251 L HN 0.172 nan 8.230 nan 0.000 0.480 252 K N 1.134 121.567 120.400 0.055 0.000 2.418 252 K HA -0.028 4.292 4.320 -0.001 0.000 0.195 252 K C 1.765 178.369 176.600 0.007 0.000 1.035 252 K CA 0.725 57.041 56.287 0.048 0.000 1.003 252 K CB 0.172 32.708 32.500 0.059 0.000 0.793 252 K HN 0.159 nan 8.250 nan 0.000 0.494 253 I N 0.455 121.014 120.570 -0.019 0.000 2.761 253 I HA -0.118 4.051 4.170 -0.001 0.000 0.261 253 I C 0.286 176.220 176.117 -0.305 0.000 1.198 253 I CA 0.996 62.198 61.300 -0.163 0.000 1.482 253 I CB 0.012 37.886 38.000 -0.210 0.000 1.100 253 I HN 0.011 nan 8.210 nan 0.000 0.445 254 Y N 0.382 120.672 120.300 -0.018 0.000 2.734 254 Y HA 0.484 5.034 4.550 -0.001 0.000 0.278 254 Y C 1.505 177.401 175.900 -0.007 0.000 1.108 254 Y CA -0.267 57.824 58.100 -0.016 0.000 1.211 254 Y CB 0.088 38.533 38.460 -0.025 0.000 1.182 254 Y HN 0.104 nan 8.280 nan 0.000 0.547 255 G N 1.386 110.237 108.800 0.085 0.000 2.341 255 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.292 255 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.292 255 G C -0.259 174.689 174.900 0.080 0.000 1.021 255 G CA 0.138 45.279 45.100 0.068 0.000 0.905 255 G HN 0.235 nan 8.290 nan 0.000 0.508 256 I N 0.395 121.016 120.570 0.085 0.000 2.362 256 I HA 0.256 4.426 4.170 -0.001 0.000 0.289 256 I C -0.015 176.154 176.117 0.087 0.000 0.994 256 I CA -1.593 59.756 61.300 0.082 0.000 1.158 256 I CB 1.598 39.627 38.000 0.049 0.000 1.315 256 I HN 0.082 nan 8.210 nan 0.000 0.451 257 D N 10.088 130.563 120.400 0.124 0.000 2.348 257 D HA 0.112 4.752 4.640 -0.001 0.000 0.259 257 D C -1.440 174.986 176.300 0.210 0.000 1.296 257 D CA -1.771 52.319 54.000 0.151 0.000 0.931 257 D CB 1.285 42.173 40.800 0.146 0.000 1.067 257 D HN 0.244 nan 8.370 nan 0.000 0.503 258 P HA -0.175 nan 4.420 nan 0.000 0.214 258 P C 1.934 179.492 177.300 0.430 0.000 1.162 258 P CA 0.851 64.083 63.100 0.219 0.000 0.879 258 P CB 0.389 32.440 31.700 0.584 0.000 0.786 259 I N 1.067 121.881 120.570 0.407 0.000 2.064 259 I HA -0.342 3.828 4.170 -0.001 0.000 0.234 259 I C 2.823 179.092 176.117 0.254 0.000 1.019 259 I CA 2.738 64.222 61.300 0.307 0.000 1.301 259 I CB -1.427 36.677 38.000 0.174 0.000 1.017 259 I HN 0.088 nan 8.210 nan 0.000 0.392 260 S N 1.052 116.877 115.700 0.210 0.000 2.387 260 S HA -0.289 4.180 4.470 -0.001 0.000 0.230 260 S C 2.003 176.762 174.600 0.266 0.000 1.035 260 S CA 1.467 59.776 58.200 0.180 0.000 1.014 260 S CB -1.348 61.964 63.200 0.187 0.000 0.836 260 S HN 0.478 nan 8.310 nan 0.000 0.466 261 F N 3.012 123.054 119.950 0.153 0.000 2.032 261 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 261 F C 2.094 177.953 175.800 0.099 0.000 1.125 261 F CA 1.970 60.040 58.000 0.115 0.000 1.202 261 F CB -0.422 38.577 39.000 -0.001 0.000 0.958 261 F HN 0.119 nan 8.300 nan 0.000 0.491 262 I N 0.534 121.307 120.570 0.338 0.000 2.530 262 I HA -0.249 3.920 4.170 -0.001 0.000 0.257 262 I C 2.170 178.300 176.117 0.021 0.000 1.179 262 I CA 1.328 62.734 61.300 0.176 0.000 1.440 262 I CB -1.564 36.593 38.000 0.262 0.000 1.087 262 I HN 0.235 nan 8.210 nan 0.000 0.440 263 K N 0.520 120.916 120.400 -0.007 0.000 2.211 263 K HA -0.140 4.180 4.320 -0.001 0.000 0.203 263 K C 2.084 178.538 176.600 -0.243 0.000 1.050 263 K CA 1.379 57.588 56.287 -0.131 0.000 0.945 263 K CB -0.167 32.225 32.500 -0.180 0.000 0.732 263 K HN 0.418 nan 8.250 nan 0.000 0.451 264 H N -1.331 117.647 119.070 -0.153 0.000 2.399 264 H HA 0.179 4.734 4.556 -0.002 0.000 0.300 264 H C 1.453 176.650 175.328 -0.219 0.000 1.048 264 H CA 1.132 57.063 56.048 -0.195 0.000 1.370 264 H CB 0.093 29.702 29.762 -0.254 0.000 1.428 264 H HN 0.273 nan 8.280 nan 0.000 0.534 265 A N 1.522 124.239 122.820 -0.171 0.000 2.239 265 A HA -0.079 4.241 4.320 -0.001 0.000 0.209 265 A C 2.273 179.807 177.584 -0.083 0.000 1.171 265 A CA 0.525 52.460 52.037 -0.170 0.000 0.768 265 A CB -0.397 18.464 19.000 -0.231 0.000 0.790 265 A HN 0.290 nan 8.150 nan 0.000 0.478 266 K N 0.123 120.479 120.400 -0.074 0.000 2.113 266 K HA -0.243 4.076 4.320 -0.001 0.000 0.208 266 K C 0.737 177.312 176.600 -0.041 0.000 1.047 266 K CA 2.024 58.279 56.287 -0.053 0.000 0.928 266 K CB -0.098 32.362 32.500 -0.067 0.000 0.716 266 K HN 0.414 nan 8.250 nan 0.000 0.446 267 D N -0.305 120.069 120.400 -0.043 0.000 2.216 267 D HA -0.002 4.638 4.640 -0.001 0.000 0.208 267 D C 1.714 178.004 176.300 -0.016 0.000 0.960 267 D CA 1.078 55.061 54.000 -0.027 0.000 0.861 267 D CB -0.135 40.646 40.800 -0.031 0.000 0.985 267 D HN 0.311 nan 8.370 nan 0.000 0.493 268 A N 0.528 123.331 122.820 -0.029 0.000 1.969 268 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 268 A C 2.146 179.736 177.584 0.011 0.000 1.169 268 A CA 1.093 53.120 52.037 -0.018 0.000 0.635 268 A CB -0.419 18.555 19.000 -0.042 0.000 0.810 268 A HN 0.119 nan 8.150 nan 0.000 0.445 269 M N -0.617 118.989 119.600 0.011 0.000 2.102 269 M HA -0.025 4.455 4.480 -0.001 0.000 0.259 269 M C 1.899 178.253 176.300 0.090 0.000 1.083 269 M CA 0.998 56.325 55.300 0.045 0.000 1.141 269 M CB -0.471 32.141 32.600 0.019 0.000 1.318 269 M HN 0.213 nan 8.290 nan 0.000 0.421 270 L N 0.126 121.378 121.223 0.049 0.000 2.081 270 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 270 L C 2.438 179.389 176.870 0.135 0.000 1.080 270 L CA 1.862 56.749 54.840 0.079 0.000 0.754 270 L CB -2.262 39.806 42.059 0.016 0.000 0.893 270 L HN 0.418 nan 8.230 nan 0.000 0.433 271 T N 0.478 115.081 114.554 0.082 0.000 2.614 271 T HA -0.157 4.193 4.350 -0.001 0.000 0.263 271 T C 2.040 176.791 174.700 0.085 0.000 1.055 271 T CA 1.651 63.792 62.100 0.068 0.000 1.162 271 T CB -0.303 68.586 68.868 0.035 0.000 0.863 271 T HN 0.440 nan 8.240 nan 0.000 0.414 272 A N 0.932 123.802 122.820 0.084 0.000 1.940 272 A HA -0.082 4.237 4.320 -0.001 0.000 0.219 272 A C 2.058 179.701 177.584 0.099 0.000 1.176 272 A CA 1.623 53.704 52.037 0.074 0.000 0.631 272 A CB -1.110 17.930 19.000 0.067 0.000 0.814 272 A HN 0.514 nan 8.150 nan 0.000 0.446 273 F N 0.331 120.292 119.950 0.019 0.000 2.202 273 F HA -0.140 4.386 4.527 -0.002 0.000 0.301 273 F C 1.979 177.798 175.800 0.031 0.000 1.082 273 F CA 1.946 59.965 58.000 0.032 0.000 1.313 273 F CB 0.133 39.157 39.000 0.041 0.000 1.024 273 F HN 0.043 nan 8.300 nan 0.000 0.495 274 V N -0.606 119.396 119.914 0.145 0.000 2.825 274 V HA -0.142 3.978 4.120 -0.001 0.000 0.246 274 V C 2.384 178.472 176.094 -0.010 0.000 1.068 274 V CA 1.705 64.039 62.300 0.057 0.000 1.088 274 V CB -0.567 31.335 31.823 0.133 0.000 0.733 274 V HN 0.538 nan 8.190 nan 0.000 0.468 275 T N -2.293 112.265 114.554 0.006 0.000 2.978 275 T HA -0.069 4.280 4.350 -0.001 0.000 0.262 275 T C 1.342 176.024 174.700 -0.030 0.000 1.063 275 T CA 0.737 62.834 62.100 -0.004 0.000 1.140 275 T CB -0.137 68.736 68.868 0.008 0.000 0.886 275 T HN 0.434 nan 8.240 nan 0.000 0.470 276 R N -0.231 120.238 120.500 -0.052 0.000 3.994 276 R HA -0.129 4.211 4.340 -0.001 0.000 0.403 276 R C 0.248 176.523 176.300 -0.042 0.000 1.126 276 R CA 0.897 56.953 56.100 -0.073 0.000 1.143 276 R CB -2.502 27.745 30.300 -0.089 0.000 1.695 276 R HN 0.478 nan 8.270 nan 0.000 0.555 277 S N 0.291 115.977 115.700 -0.023 0.000 2.790 277 S HA 0.269 4.739 4.470 -0.001 0.000 0.202 277 S C 1.136 175.725 174.600 -0.017 0.000 1.383 277 S CA 0.241 58.429 58.200 -0.020 0.000 1.026 277 S CB 1.205 64.396 63.200 -0.014 0.000 1.253 277 S HN 0.324 nan 8.310 nan 0.000 0.489 278 S N 2.954 118.643 115.700 -0.018 0.000 2.389 278 S HA -0.168 4.301 4.470 -0.001 0.000 0.231 278 S C 2.136 176.725 174.600 -0.019 0.000 1.052 278 S CA 2.447 60.642 58.200 -0.008 0.000 1.053 278 S CB -0.571 62.626 63.200 -0.006 0.000 0.886 278 S HN 0.774 nan 8.310 nan 0.000 0.456 279 S N -0.048 115.628 115.700 -0.041 0.000 2.345 279 S HA 0.025 4.495 4.470 -0.001 0.000 0.220 279 S C 2.000 176.578 174.600 -0.038 0.000 1.031 279 S CA 1.553 59.719 58.200 -0.055 0.000 0.996 279 S CB -1.060 62.084 63.200 -0.093 0.000 0.882 279 S HN 0.721 nan 8.310 nan 0.000 0.445 280 G N -0.382 108.400 108.800 -0.030 0.000 2.559 280 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.216 280 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.216 280 G C 0.931 175.826 174.900 -0.009 0.000 1.126 280 G CA 1.138 46.227 45.100 -0.018 0.000 0.778 280 G HN 0.557 nan 8.290 nan 0.000 0.543 281 T N 0.746 115.296 114.554 -0.006 0.000 3.251 281 T HA 0.189 4.538 4.350 -0.001 0.000 0.259 281 T C 1.617 176.318 174.700 0.002 0.000 0.998 281 T CA -0.409 61.692 62.100 0.003 0.000 0.905 281 T CB 0.456 69.332 68.868 0.012 0.000 1.067 281 T HN 0.121 nan 8.240 nan 0.000 0.569 282 L N 2.429 123.650 121.223 -0.003 0.000 2.095 282 L HA 0.214 4.553 4.340 -0.001 0.000 0.204 282 L C -1.067 175.807 176.870 0.008 0.000 1.080 282 L CA 1.428 56.269 54.840 0.002 0.000 0.759 282 L CB -0.914 41.141 42.059 -0.007 0.000 0.914 282 L HN 0.024 nan 8.230 nan 0.000 0.439 283 P HA -0.131 nan 4.420 nan 0.000 0.215 283 P C 1.979 179.277 177.300 -0.004 0.000 1.157 283 P CA 1.462 64.566 63.100 0.007 0.000 0.868 283 P CB -0.047 31.655 31.700 0.004 0.000 0.788 284 V N -0.848 119.061 119.914 -0.008 0.000 2.759 284 V HA -0.153 3.966 4.120 -0.001 0.000 0.256 284 V C 2.088 178.162 176.094 -0.033 0.000 1.080 284 V CA 2.160 64.449 62.300 -0.018 0.000 1.101 284 V CB -1.696 30.122 31.823 -0.008 0.000 0.698 284 V HN 0.204 nan 8.190 nan 0.000 0.477 285 T N -0.358 114.182 114.554 -0.024 0.000 3.014 285 T HA 0.049 4.399 4.350 -0.001 0.000 0.263 285 T C 1.764 176.421 174.700 -0.071 0.000 1.078 285 T CA 1.090 63.168 62.100 -0.035 0.000 1.135 285 T CB -0.101 68.765 68.868 -0.002 0.000 0.895 285 T HN 0.353 nan 8.240 nan 0.000 0.480 286 M N 0.240 119.808 119.600 -0.052 0.000 2.394 286 M HA 0.189 4.668 4.480 -0.001 0.000 0.266 286 M C 2.442 178.617 176.300 -0.209 0.000 1.098 286 M CA 0.649 55.889 55.300 -0.101 0.000 1.149 286 M CB -0.169 32.490 32.600 0.099 0.000 1.369 286 M HN 0.021 nan 8.290 nan 0.000 0.450 287 R N 0.796 121.230 120.500 -0.110 0.000 2.091 287 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 287 R C 1.665 177.868 176.300 -0.161 0.000 1.136 287 R CA 1.473 57.511 56.100 -0.103 0.000 0.959 287 R CB -0.167 30.099 30.300 -0.057 0.000 0.856 287 R HN 0.210 nan 8.270 nan 0.000 0.437 288 V N 1.080 120.896 119.914 -0.164 0.000 2.970 288 V HA -0.091 4.028 4.120 -0.001 0.000 0.260 288 V C 2.372 178.293 176.094 -0.287 0.000 1.100 288 V CA 1.239 63.431 62.300 -0.180 0.000 1.122 288 V CB -0.286 31.449 31.823 -0.147 0.000 0.721 288 V HN 0.490 nan 8.190 nan 0.000 0.483 289 A N 0.827 123.397 122.820 -0.417 0.000 1.849 289 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 289 A C 2.292 179.506 177.584 -0.616 0.000 1.202 289 A CA 2.240 53.878 52.037 -0.666 0.000 0.629 289 A CB -0.422 17.725 19.000 -1.422 0.000 0.834 289 A HN 0.529 nan 8.150 nan 0.000 0.447 290 K N -0.794 119.234 120.400 -0.620 0.000 1.967 290 K HA -0.139 4.180 4.320 -0.001 0.000 0.212 290 K C 1.802 178.276 176.600 -0.210 0.000 1.044 290 K CA 1.340 57.452 56.287 -0.291 0.000 0.942 290 K CB -0.437 31.983 32.500 -0.132 0.000 0.726 290 K HN 0.563 nan 8.250 nan 0.000 0.440 291 E N 0.630 120.726 120.200 -0.173 0.000 2.476 291 E HA -0.281 4.068 4.350 -0.001 0.000 0.241 291 E C 1.389 177.856 176.600 -0.221 0.000 1.154 291 E CA 2.159 58.482 56.400 -0.129 0.000 1.002 291 E CB -0.587 29.070 29.700 -0.071 0.000 0.834 291 E HN 0.502 nan 8.360 nan 0.000 0.454 292 M N -1.987 117.421 119.600 -0.319 0.000 2.866 292 M HA 0.431 4.910 4.480 -0.001 0.000 0.319 292 M C 0.603 176.765 176.300 -0.231 0.000 1.244 292 M CA 0.344 55.388 55.300 -0.426 0.000 0.974 292 M CB 0.429 32.696 32.600 -0.556 0.000 1.291 292 M HN 0.010 nan 8.290 nan 0.000 0.513 293 G N 2.299 111.007 108.800 -0.154 0.000 2.393 293 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.299 293 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.299 293 G C -0.302 174.574 174.900 -0.039 0.000 0.990 293 G CA 0.120 45.175 45.100 -0.075 0.000 1.118 293 G HN 0.733 nan 8.290 nan 0.000 0.513 294 I N 0.477 121.026 120.570 -0.035 0.000 2.353 294 I HA 0.283 4.452 4.170 -0.001 0.000 0.293 294 I C 1.128 177.372 176.117 0.212 0.000 0.992 294 I CA -0.544 60.792 61.300 0.059 0.000 1.268 294 I CB 1.696 39.709 38.000 0.022 0.000 1.387 294 I HN 0.243 nan 8.210 nan 0.000 0.478 295 S N 3.870 119.662 115.700 0.153 0.000 2.546 295 S HA -0.059 4.410 4.470 -0.001 0.000 0.290 295 S C 1.171 175.821 174.600 0.084 0.000 1.290 295 S CA -0.202 58.062 58.200 0.107 0.000 1.069 295 S CB 0.626 63.846 63.200 0.033 0.000 0.846 295 S HN 0.693 nan 8.310 nan 0.000 0.495 296 E N 4.758 124.952 120.200 -0.010 0.000 2.035 296 E HA -0.134 4.215 4.350 -0.001 0.000 0.204 296 E C 2.025 178.382 176.600 -0.406 0.000 1.025 296 E CA 2.270 58.486 56.400 -0.308 0.000 0.835 296 E CB -1.102 28.511 29.700 -0.144 0.000 0.764 296 E HN 0.845 nan 8.360 nan 0.000 0.457 297 G N -0.806 107.880 108.800 -0.190 0.000 2.527 297 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.219 297 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.219 297 G C 1.261 176.097 174.900 -0.106 0.000 1.117 297 G CA 1.043 46.059 45.100 -0.140 0.000 0.759 297 G HN 0.267 nan 8.290 nan 0.000 0.556 298 I N -0.631 119.879 120.570 -0.100 0.000 2.512 298 I HA 0.082 4.252 4.170 -0.001 0.000 0.247 298 I C 2.234 178.399 176.117 0.080 0.000 1.094 298 I CA 0.239 61.542 61.300 0.006 0.000 1.427 298 I CB -0.777 37.245 38.000 0.036 0.000 1.149 298 I HN 0.388 nan 8.210 nan 0.000 0.438 299 Y N -1.488 118.843 120.300 0.051 0.000 2.544 299 Y HA 0.216 4.765 4.550 -0.001 0.000 0.286 299 Y C 2.297 178.230 175.900 0.056 0.000 1.141 299 Y CA 0.596 58.724 58.100 0.048 0.000 1.299 299 Y CB -0.955 37.513 38.460 0.012 0.000 1.030 299 Y HN 0.019 nan 8.280 nan 0.000 0.543 300 S N -0.407 115.097 115.700 -0.326 0.000 2.489 300 S HA -0.069 4.400 4.470 -0.001 0.000 0.228 300 S C 1.433 176.033 174.600 -0.001 0.000 0.995 300 S CA 0.828 58.905 58.200 -0.206 0.000 0.934 300 S CB -0.541 62.493 63.200 -0.277 0.000 0.771 300 S HN 0.619 nan 8.310 nan 0.000 0.522 301 F N 1.468 121.366 119.950 -0.087 0.000 2.453 301 F HA 0.127 4.653 4.527 -0.001 0.000 0.284 301 F C 2.436 178.239 175.800 0.005 0.000 1.065 301 F CA 1.492 59.467 58.000 -0.041 0.000 1.411 301 F CB -0.520 38.454 39.000 -0.043 0.000 1.131 301 F HN 0.303 nan 8.300 nan 0.000 0.582 302 T N -0.294 114.377 114.554 0.195 0.000 2.770 302 T HA -0.071 4.278 4.350 -0.001 0.000 0.258 302 T C 2.010 176.764 174.700 0.090 0.000 1.039 302 T CA 1.115 63.310 62.100 0.158 0.000 1.143 302 T CB -0.907 68.124 68.868 0.272 0.000 0.866 302 T HN 0.119 nan 8.240 nan 0.000 0.428 303 L N 2.287 123.583 121.223 0.120 0.000 2.089 303 L HA -0.020 4.319 4.340 -0.001 0.000 0.213 303 L C -0.093 176.787 176.870 0.016 0.000 1.079 303 L CA 1.986 56.886 54.840 0.099 0.000 0.758 303 L CB -2.627 39.514 42.059 0.136 0.000 0.891 303 L HN 0.383 nan 8.230 nan 0.000 0.433 304 P HA -0.094 nan 4.420 nan 0.000 0.231 304 P C 1.954 179.148 177.300 -0.177 0.000 1.168 304 P CA 0.725 63.765 63.100 -0.099 0.000 0.779 304 P CB 0.195 31.828 31.700 -0.112 0.000 0.844 305 L N 0.350 121.424 121.223 -0.248 0.000 2.168 305 L HA 0.333 4.672 4.340 -0.001 0.000 0.203 305 L C 2.276 178.932 176.870 -0.357 0.000 1.078 305 L CA 1.860 56.493 54.840 -0.345 0.000 0.780 305 L CB -1.523 40.248 42.059 -0.481 0.000 0.939 305 L HN -0.090 nan 8.230 nan 0.000 0.451 306 G N -1.249 107.376 108.800 -0.292 0.000 2.848 306 G HA2 0.001 3.960 3.960 -0.001 0.000 0.208 306 G HA3 0.001 3.960 3.960 -0.001 0.000 0.208 306 G C 1.431 176.290 174.900 -0.068 0.000 1.152 306 G CA 0.543 45.497 45.100 -0.242 0.000 0.789 306 G HN 0.551 nan 8.290 nan 0.000 0.531 307 A N 0.576 123.344 122.820 -0.087 0.000 2.014 307 A HA 0.084 4.404 4.320 -0.001 0.000 0.218 307 A C 2.520 180.053 177.584 -0.084 0.000 1.163 307 A CA 2.345 54.346 52.037 -0.061 0.000 0.652 307 A CB -0.335 18.623 19.000 -0.070 0.000 0.808 307 A HN 0.457 nan 8.150 nan 0.000 0.449 308 T N -3.165 111.315 114.554 -0.124 0.000 3.071 308 T HA 0.401 4.750 4.350 -0.001 0.000 0.239 308 T C 0.914 175.551 174.700 -0.104 0.000 0.997 308 T CA 0.052 62.081 62.100 -0.120 0.000 1.134 308 T CB -0.314 68.469 68.868 -0.142 0.000 0.928 308 T HN 0.183 nan 8.240 nan 0.000 0.453 309 I N 2.080 122.550 120.570 -0.166 0.000 3.110 309 I HA 0.325 4.494 4.170 -0.001 0.000 0.314 309 I C 0.327 176.355 176.117 -0.147 0.000 1.020 309 I CA -0.667 60.530 61.300 -0.172 0.000 1.169 309 I CB 0.351 38.187 38.000 -0.273 0.000 1.437 309 I HN 0.306 nan 8.210 nan 0.000 0.595 310 N N 2.933 121.618 118.700 -0.025 0.000 2.681 310 N HA -0.198 4.541 4.740 -0.001 0.000 0.259 310 N C -0.776 174.861 175.510 0.212 0.000 1.066 310 N CA 0.661 53.853 53.050 0.237 0.000 0.717 310 N CB -0.576 38.426 38.487 0.858 0.000 0.885 310 N HN 0.582 nan 8.380 nan 0.000 0.547 311 M N 0.950 120.630 119.600 0.134 0.000 3.231 311 M HA 0.125 4.604 4.480 -0.001 0.000 0.231 311 M C 0.933 177.310 176.300 0.129 0.000 1.136 311 M CA -0.536 54.833 55.300 0.116 0.000 0.990 311 M CB 0.397 33.036 32.600 0.065 0.000 1.291 311 M HN 0.180 nan 8.290 nan 0.000 0.565 312 D N -0.096 120.406 120.400 0.170 0.000 2.354 312 D HA -0.145 4.495 4.640 -0.001 0.000 0.216 312 D C 1.568 177.964 176.300 0.160 0.000 0.970 312 D CA 1.266 55.364 54.000 0.163 0.000 0.905 312 D CB -0.381 40.526 40.800 0.179 0.000 0.903 312 D HN 0.504 nan 8.370 nan 0.000 0.508 313 G N -0.409 108.479 108.800 0.147 0.000 2.430 313 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.216 313 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.216 313 G C 1.631 176.586 174.900 0.091 0.000 1.146 313 G CA 0.947 46.117 45.100 0.116 0.000 0.793 313 G HN 0.352 nan 8.290 nan 0.000 0.537 314 T N 1.412 116.016 114.554 0.082 0.000 2.894 314 T HA 0.193 4.542 4.350 -0.001 0.000 0.258 314 T C 2.841 177.640 174.700 0.164 0.000 1.043 314 T CA 0.990 63.140 62.100 0.083 0.000 1.141 314 T CB -0.245 68.643 68.868 0.033 0.000 0.873 314 T HN 0.303 nan 8.240 nan 0.000 0.449 315 A N 1.594 124.493 122.820 0.132 0.000 1.948 315 A HA -0.068 4.252 4.320 -0.001 0.000 0.220 315 A C 2.248 179.906 177.584 0.124 0.000 1.177 315 A CA 1.362 53.474 52.037 0.125 0.000 0.636 315 A CB -0.898 18.165 19.000 0.105 0.000 0.815 315 A HN 0.517 nan 8.150 nan 0.000 0.449 316 L N -2.109 119.188 121.223 0.123 0.000 2.093 316 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 316 L C 2.441 179.377 176.870 0.109 0.000 1.085 316 L CA 1.997 56.895 54.840 0.096 0.000 0.755 316 L CB -0.400 41.712 42.059 0.089 0.000 0.904 316 L HN 0.554 nan 8.230 nan 0.000 0.435 317 Y N 1.055 121.358 120.300 0.005 0.000 2.049 317 Y HA -0.363 4.186 4.550 -0.001 0.000 0.277 317 Y C 2.635 178.546 175.900 0.018 0.000 1.143 317 Y CA 2.270 60.363 58.100 -0.012 0.000 1.115 317 Y CB -0.385 38.059 38.460 -0.026 0.000 0.975 317 Y HN 0.271 nan 8.280 nan 0.000 0.487 318 Q N -0.453 119.467 119.800 0.200 0.000 2.364 318 Q HA -0.120 4.219 4.340 -0.001 0.000 0.209 318 Q C 2.331 178.355 176.000 0.040 0.000 0.977 318 Q CA 0.909 56.772 55.803 0.100 0.000 0.885 318 Q CB -0.372 28.480 28.738 0.190 0.000 0.941 318 Q HN 0.704 nan 8.270 nan 0.000 0.464 319 G N 0.033 108.874 108.800 0.068 0.000 2.395 319 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.214 319 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.214 319 G C 1.455 176.465 174.900 0.183 0.000 1.177 319 G CA 0.460 45.632 45.100 0.120 0.000 0.794 319 G HN 0.200 nan 8.290 nan 0.000 0.532 320 V N 1.522 121.483 119.914 0.079 0.000 2.488 320 V HA 0.003 4.123 4.120 -0.001 0.000 0.246 320 V C 3.289 179.416 176.094 0.054 0.000 1.046 320 V CA 1.636 63.992 62.300 0.094 0.000 1.053 320 V CB -0.637 31.178 31.823 -0.013 0.000 0.679 320 V HN 0.442 nan 8.190 nan 0.000 0.458 321 A N 0.313 123.037 122.820 -0.159 0.000 1.892 321 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 321 A C 2.404 179.983 177.584 -0.007 0.000 1.188 321 A CA 2.833 54.742 52.037 -0.213 0.000 0.631 321 A CB -1.159 17.561 19.000 -0.466 0.000 0.822 321 A HN 0.499 nan 8.150 nan 0.000 0.447 322 T N -0.284 114.257 114.554 -0.022 0.000 2.607 322 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 322 T C 1.503 176.138 174.700 -0.108 0.000 1.049 322 T CA 1.873 63.916 62.100 -0.096 0.000 1.162 322 T CB -0.573 68.171 68.868 -0.206 0.000 0.863 322 T HN 0.439 nan 8.240 nan 0.000 0.424 323 F N 0.360 120.328 119.950 0.029 0.000 2.307 323 F HA 0.033 4.560 4.527 -0.001 0.000 0.301 323 F C 1.932 177.755 175.800 0.038 0.000 1.076 323 F CA 0.537 58.554 58.000 0.028 0.000 1.383 323 F CB -0.711 38.310 39.000 0.035 0.000 1.055 323 F HN 0.116 nan 8.300 nan 0.000 0.526 324 F N 0.612 120.608 119.950 0.076 0.000 2.084 324 F HA -0.191 4.336 4.527 -0.001 0.000 0.296 324 F C 2.223 178.015 175.800 -0.013 0.000 1.111 324 F CA 1.335 59.348 58.000 0.021 0.000 1.224 324 F CB -0.308 38.675 39.000 -0.029 0.000 0.991 324 F HN -0.221 nan 8.300 nan 0.000 0.471 325 I N 1.217 121.882 120.570 0.158 0.000 2.076 325 I HA -0.317 3.852 4.170 -0.001 0.000 0.237 325 I C 2.856 178.889 176.117 -0.140 0.000 1.059 325 I CA 1.616 62.924 61.300 0.014 0.000 1.317 325 I CB -2.210 35.806 38.000 0.027 0.000 1.037 325 I HN 0.273 nan 8.210 nan 0.000 0.398 326 A N 1.480 124.218 122.820 -0.136 0.000 1.896 326 A HA -0.289 4.031 4.320 -0.001 0.000 0.220 326 A C 2.065 179.560 177.584 -0.149 0.000 1.206 326 A CA 2.587 54.528 52.037 -0.161 0.000 0.647 326 A CB -1.020 17.880 19.000 -0.165 0.000 0.828 326 A HN 0.519 nan 8.150 nan 0.000 0.455 327 N N 0.139 118.767 118.700 -0.121 0.000 2.244 327 N HA -0.024 4.716 4.740 -0.001 0.000 0.183 327 N C 1.733 177.134 175.510 -0.182 0.000 1.016 327 N CA 1.490 54.456 53.050 -0.139 0.000 0.866 327 N CB -0.633 37.804 38.487 -0.084 0.000 0.980 327 N HN 0.519 nan 8.380 nan 0.000 0.430 328 A N 0.285 122.936 122.820 -0.282 0.000 1.969 328 A HA -0.022 4.297 4.320 -0.001 0.000 0.218 328 A C 1.835 179.347 177.584 -0.120 0.000 1.169 328 A CA 0.963 52.841 52.037 -0.266 0.000 0.635 328 A CB -0.329 18.432 19.000 -0.400 0.000 0.810 328 A HN 0.135 nan 8.150 nan 0.000 0.445 329 L N -1.515 119.628 121.223 -0.134 0.000 2.341 329 L HA 0.264 4.604 4.340 -0.001 0.000 0.214 329 L C 1.778 178.635 176.870 -0.021 0.000 1.115 329 L CA 1.179 55.968 54.840 -0.085 0.000 0.820 329 L CB -0.622 41.304 42.059 -0.222 0.000 0.944 329 L HN 0.591 nan 8.230 nan 0.000 0.452 330 G N -1.138 107.618 108.800 -0.074 0.000 2.134 330 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.209 330 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.209 330 G C 0.375 175.183 174.900 -0.153 0.000 0.993 330 G CA 0.249 45.284 45.100 -0.108 0.000 0.669 330 G HN 0.364 nan 8.290 nan 0.000 0.519 331 S N 0.200 115.822 115.700 -0.130 0.000 2.525 331 S HA 0.660 5.129 4.470 -0.001 0.000 0.290 331 S C -0.005 174.487 174.600 -0.180 0.000 1.152 331 S CA -0.660 57.502 58.200 -0.063 0.000 1.072 331 S CB 0.554 63.810 63.200 0.095 0.000 1.027 331 S HN 0.317 nan 8.310 nan 0.000 0.500 332 H N 4.216 123.321 119.070 0.059 0.000 2.556 332 H HA 0.297 4.852 4.556 -0.001 0.000 0.310 332 H C -0.641 174.726 175.328 0.066 0.000 1.057 332 H CA -0.621 55.469 56.048 0.069 0.000 1.264 332 H CB 0.850 30.648 29.762 0.060 0.000 1.404 332 H HN 0.369 nan 8.280 nan 0.000 0.462 333 L N 2.892 124.209 121.223 0.158 0.000 2.477 333 L HA -0.022 4.318 4.340 -0.001 0.000 0.272 333 L C 1.382 178.330 176.870 0.130 0.000 1.157 333 L CA 0.504 55.392 54.840 0.081 0.000 0.889 333 L CB 0.052 42.069 42.059 -0.070 0.000 1.158 333 L HN 0.531 nan 8.230 nan 0.000 0.473 334 T N 3.603 118.212 114.554 0.092 0.000 2.779 334 T HA 0.193 4.543 4.350 -0.001 0.000 0.296 334 T C 0.190 174.938 174.700 0.079 0.000 0.938 334 T CA -0.496 61.655 62.100 0.084 0.000 1.119 334 T CB 0.395 69.301 68.868 0.064 0.000 0.891 334 T HN 0.440 nan 8.240 nan 0.000 0.526 335 V N 6.325 126.290 119.914 0.086 0.000 2.539 335 V HA 0.422 4.541 4.120 -0.001 0.000 0.300 335 V C 1.309 177.441 176.094 0.062 0.000 1.019 335 V CA 2.117 64.466 62.300 0.082 0.000 1.160 335 V CB -0.050 31.814 31.823 0.069 0.000 0.901 335 V HN 1.274 nan 8.190 nan 0.000 0.481 336 G N 4.214 113.050 108.800 0.060 0.000 3.288 336 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.195 336 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.195 336 G C 0.670 175.598 174.900 0.046 0.000 1.093 336 G CA 0.468 45.598 45.100 0.049 0.000 0.852 336 G HN 1.025 nan 8.290 nan 0.000 0.453 337 Q N 0.226 120.052 119.800 0.043 0.000 2.391 337 Q HA 0.328 4.667 4.340 -0.001 0.000 0.211 337 Q C 2.080 178.090 176.000 0.016 0.000 0.908 337 Q CA 1.008 56.828 55.803 0.028 0.000 0.920 337 Q CB -0.039 28.712 28.738 0.022 0.000 1.056 337 Q HN 0.544 nan 8.270 nan 0.000 0.523 338 Q N 1.262 121.087 119.800 0.042 0.000 2.172 338 Q HA -0.095 4.244 4.340 -0.001 0.000 0.200 338 Q C 1.669 177.726 176.000 0.095 0.000 0.964 338 Q CA 1.123 56.971 55.803 0.075 0.000 0.855 338 Q CB 0.145 28.987 28.738 0.172 0.000 0.918 338 Q HN 0.538 nan 8.270 nan 0.000 0.444 339 L N -2.631 118.637 121.223 0.076 0.000 2.567 339 L HA 0.256 4.595 4.340 -0.001 0.000 0.225 339 L C 1.601 178.506 176.870 0.058 0.000 1.119 339 L CA 0.857 55.739 54.840 0.070 0.000 0.871 339 L CB -0.661 41.434 42.059 0.060 0.000 1.036 339 L HN -0.143 nan 8.230 nan 0.000 0.459 340 T N 0.258 114.841 114.554 0.048 0.000 2.985 340 T HA 0.145 4.495 4.350 -0.001 0.000 0.266 340 T C 1.930 176.656 174.700 0.042 0.000 1.076 340 T CA 1.505 63.631 62.100 0.044 0.000 1.135 340 T CB -0.232 68.659 68.868 0.038 0.000 0.890 340 T HN 0.324 nan 8.240 nan 0.000 0.480 341 I N 0.703 121.292 120.570 0.032 0.000 2.252 341 I HA -0.128 4.041 4.170 -0.001 0.000 0.245 341 I C 2.567 178.718 176.117 0.056 0.000 1.102 341 I CA 0.784 62.101 61.300 0.029 0.000 1.385 341 I CB -0.529 37.470 38.000 -0.001 0.000 1.064 341 I HN 0.097 nan 8.210 nan 0.000 0.414 342 V N 1.488 121.441 119.914 0.066 0.000 2.261 342 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 342 V C 2.333 178.463 176.094 0.061 0.000 1.047 342 V CA 1.853 64.191 62.300 0.063 0.000 1.015 342 V CB -0.339 31.518 31.823 0.057 0.000 0.642 342 V HN 0.393 nan 8.190 nan 0.000 0.446 343 L N 0.015 121.273 121.223 0.059 0.000 2.046 343 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 343 L C 2.402 179.310 176.870 0.064 0.000 1.077 343 L CA 3.018 57.894 54.840 0.060 0.000 0.747 343 L CB -1.582 40.513 42.059 0.060 0.000 0.896 343 L HN 0.472 nan 8.230 nan 0.000 0.432 344 T N 0.557 115.150 114.554 0.064 0.000 2.732 344 T HA -0.018 4.331 4.350 -0.001 0.000 0.261 344 T C 2.005 176.748 174.700 0.072 0.000 1.040 344 T CA 1.281 63.422 62.100 0.068 0.000 1.145 344 T CB -0.368 68.539 68.868 0.065 0.000 0.866 344 T HN 0.504 nan 8.240 nan 0.000 0.427 345 A N 1.223 124.087 122.820 0.073 0.000 1.958 345 A HA -0.133 4.186 4.320 -0.001 0.000 0.221 345 A C 2.543 180.176 177.584 0.083 0.000 1.178 345 A CA 1.689 53.776 52.037 0.083 0.000 0.642 345 A CB -1.198 17.852 19.000 0.084 0.000 0.816 345 A HN 0.367 nan 8.150 nan 0.000 0.453 346 V N -0.479 119.480 119.914 0.074 0.000 2.270 346 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 346 V C 2.457 178.590 176.094 0.065 0.000 1.043 346 V CA 1.971 64.314 62.300 0.071 0.000 1.014 346 V CB -0.817 31.046 31.823 0.066 0.000 0.645 346 V HN 0.502 nan 8.190 nan 0.000 0.447 347 L N 0.708 121.968 121.223 0.061 0.000 2.093 347 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 347 L C 2.604 179.510 176.870 0.059 0.000 1.085 347 L CA 2.100 56.972 54.840 0.053 0.000 0.755 347 L CB -1.410 40.682 42.059 0.054 0.000 0.904 347 L HN 0.276 nan 8.230 nan 0.000 0.435 348 A N -0.406 122.458 122.820 0.073 0.000 1.972 348 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 348 A C 2.522 180.155 177.584 0.082 0.000 1.169 348 A CA 1.903 53.990 52.037 0.083 0.000 0.635 348 A CB -0.753 18.306 19.000 0.098 0.000 0.810 348 A HN 0.533 nan 8.150 nan 0.000 0.446 349 S N -0.129 115.619 115.700 0.079 0.000 2.414 349 S HA 0.031 4.500 4.470 -0.001 0.000 0.227 349 S C 1.662 176.295 174.600 0.055 0.000 1.022 349 S CA 1.041 59.285 58.200 0.074 0.000 0.958 349 S CB -0.635 62.615 63.200 0.084 0.000 0.797 349 S HN 0.468 nan 8.310 nan 0.000 0.493 350 I N 1.996 122.593 120.570 0.046 0.000 3.176 350 I HA 0.050 4.219 4.170 -0.001 0.000 0.275 350 I C 2.371 178.502 176.117 0.023 0.000 1.298 350 I CA 0.768 62.080 61.300 0.021 0.000 1.445 350 I CB -0.537 37.470 38.000 0.011 0.000 1.075 350 I HN 0.501 nan 8.210 nan 0.000 0.482 351 G N 0.095 108.923 108.800 0.047 0.000 2.545 351 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.212 351 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.212 351 G C 0.814 175.774 174.900 0.099 0.000 1.144 351 G CA -0.029 45.111 45.100 0.066 0.000 0.813 351 G HN 0.229 nan 8.290 nan 0.000 0.531 352 T N 1.549 116.153 114.554 0.084 0.000 2.939 352 T HA 0.284 4.634 4.350 -0.001 0.000 0.312 352 T C 1.629 176.392 174.700 0.105 0.000 1.064 352 T CA 0.425 62.581 62.100 0.093 0.000 1.136 352 T CB 1.424 70.322 68.868 0.050 0.000 1.035 352 T HN 0.252 nan 8.240 nan 0.000 0.538 353 A N 2.406 125.336 122.820 0.183 0.000 2.123 353 A HA 0.468 4.788 4.320 -0.001 0.000 0.214 353 A C 1.773 179.291 177.584 -0.110 0.000 1.152 353 A CA 0.623 52.683 52.037 0.038 0.000 0.728 353 A CB -0.613 18.575 19.000 0.314 0.000 0.814 353 A HN 1.717 nan 8.150 nan 0.000 0.464 354 G N -1.090 107.692 108.800 -0.030 0.000 2.291 354 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.271 354 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.271 354 G C -0.194 174.678 174.900 -0.046 0.000 1.099 354 G CA 0.204 45.275 45.100 -0.047 0.000 0.919 354 G HN 1.040 nan 8.290 nan 0.000 0.496 355 V N -0.811 119.095 119.914 -0.013 0.000 3.182 355 V HA 0.607 4.726 4.120 -0.001 0.000 0.308 355 V C -1.083 175.014 176.094 0.005 0.000 1.240 355 V CA -0.800 61.501 62.300 0.002 0.000 1.063 355 V CB 1.839 33.687 31.823 0.041 0.000 1.076 355 V HN 0.023 nan 8.190 nan 0.000 0.446 356 P HA -0.216 nan 4.420 nan 0.000 0.214 356 P C 1.508 178.813 177.300 0.008 0.000 1.164 356 P CA 2.434 65.537 63.100 0.005 0.000 0.942 356 P CB -0.151 31.568 31.700 0.032 0.000 0.791 357 G N -0.130 108.693 108.800 0.038 0.000 2.446 357 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 357 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 357 G C 1.399 176.309 174.900 0.016 0.000 1.168 357 G CA 2.070 47.191 45.100 0.036 0.000 0.771 357 G HN 0.510 nan 8.290 nan 0.000 0.551 358 A N 0.465 123.310 122.820 0.042 0.000 2.731 358 A HA -0.270 4.049 4.320 -0.001 0.000 0.296 358 A C 2.765 180.350 177.584 0.001 0.000 1.475 358 A CA 3.359 55.421 52.037 0.043 0.000 1.120 358 A CB -1.631 17.379 19.000 0.017 0.000 0.542 358 A HN 1.605 nan 8.150 nan 0.000 0.407 359 G N -1.677 107.075 108.800 -0.080 0.000 2.859 359 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.236 359 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.236 359 G C 2.008 176.889 174.900 -0.032 0.000 1.207 359 G CA 3.606 48.609 45.100 -0.160 0.000 0.769 359 G HN 2.036 nan 8.290 nan 0.000 0.674 360 A N 0.650 123.439 122.820 -0.053 0.000 1.881 360 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 360 A C 2.515 180.219 177.584 0.200 0.000 1.215 360 A CA 2.254 54.369 52.037 0.131 0.000 0.648 360 A CB -0.615 18.428 19.000 0.072 0.000 0.832 360 A HN 0.562 nan 8.150 nan 0.000 0.455 361 I N -0.841 119.809 120.570 0.133 0.000 2.145 361 I HA -0.315 3.854 4.170 -0.001 0.000 0.244 361 I C 2.181 178.381 176.117 0.139 0.000 1.075 361 I CA 1.517 62.895 61.300 0.129 0.000 1.332 361 I CB -0.412 37.621 38.000 0.054 0.000 1.033 361 I HN 0.309 nan 8.210 nan 0.000 0.410 362 M N -0.145 119.530 119.600 0.126 0.000 2.686 362 M HA -0.048 4.431 4.480 -0.001 0.000 0.246 362 M C 2.032 178.430 176.300 0.164 0.000 1.096 362 M CA 0.837 56.213 55.300 0.127 0.000 1.076 362 M CB -0.957 31.706 32.600 0.106 0.000 1.504 362 M HN 0.270 nan 8.290 nan 0.000 0.524 363 L N 0.386 121.740 121.223 0.219 0.000 2.044 363 L HA -0.095 4.244 4.340 -0.001 0.000 0.205 363 L C 2.282 179.272 176.870 0.200 0.000 1.075 363 L CA 1.825 56.810 54.840 0.242 0.000 0.747 363 L CB -0.843 41.417 42.059 0.334 0.000 0.903 363 L HN 0.284 nan 8.230 nan 0.000 0.435 364 C N -0.322 119.101 119.300 0.206 0.000 2.396 364 C HA -0.268 4.191 4.460 -0.001 0.000 0.277 364 C C 2.830 177.986 174.990 0.276 0.000 1.231 364 C CA 1.396 60.494 59.018 0.133 0.000 1.775 364 C CB -1.088 26.741 27.740 0.148 0.000 2.036 364 C HN 0.705 nan 8.230 nan 0.000 0.484 365 M N 0.395 120.126 119.600 0.219 0.000 2.108 365 M HA -0.159 4.320 4.480 -0.001 0.000 0.261 365 M C 2.186 178.580 176.300 0.157 0.000 1.066 365 M CA 1.954 57.364 55.300 0.184 0.000 1.107 365 M CB -0.295 32.378 32.600 0.122 0.000 1.356 365 M HN 0.299 nan 8.290 nan 0.000 0.406 366 V N 0.565 120.552 119.914 0.123 0.000 2.871 366 V HA -0.144 3.976 4.120 -0.001 0.000 0.256 366 V C 1.826 177.947 176.094 0.045 0.000 1.082 366 V CA 1.184 63.533 62.300 0.083 0.000 1.105 366 V CB -0.231 31.637 31.823 0.075 0.000 0.713 366 V HN 0.537 nan 8.190 nan 0.000 0.473 367 L N -0.978 120.259 121.223 0.023 0.000 2.102 367 L HA 0.009 4.348 4.340 -0.001 0.000 0.202 367 L C 2.617 179.434 176.870 -0.088 0.000 1.076 367 L CA 1.249 56.044 54.840 -0.075 0.000 0.761 367 L CB -0.999 40.963 42.059 -0.161 0.000 0.921 367 L HN 0.342 nan 8.230 nan 0.000 0.444 368 H N 0.217 119.290 119.070 0.005 0.000 2.460 368 H HA -0.064 4.491 4.556 -0.001 0.000 0.297 368 H C 1.180 176.523 175.328 0.025 0.000 1.103 368 H CA 1.161 57.216 56.048 0.012 0.000 1.292 368 H CB -0.149 29.616 29.762 0.005 0.000 1.376 368 H HN 0.340 nan 8.280 nan 0.000 0.531 369 S N -0.317 115.461 115.700 0.131 0.000 2.499 369 S HA 0.364 4.834 4.470 -0.001 0.000 0.279 369 S C 0.878 175.509 174.600 0.051 0.000 1.219 369 S CA -0.216 58.038 58.200 0.089 0.000 1.062 369 S CB 2.534 65.785 63.200 0.085 0.000 0.978 369 S HN 0.130 nan 8.310 nan 0.000 0.489 370 V N 1.048 120.990 119.914 0.046 0.000 4.485 370 V HA -0.113 4.007 4.120 -0.001 0.000 0.258 370 V C 1.085 177.203 176.094 0.040 0.000 0.560 370 V CA 0.571 62.885 62.300 0.023 0.000 0.954 370 V CB -2.154 29.658 31.823 -0.018 0.000 0.890 370 V HN 2.112 nan 8.190 nan 0.000 1.354 371 G N 0.683 109.525 108.800 0.069 0.000 2.352 371 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.283 371 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.283 371 G C -0.200 174.787 174.900 0.145 0.000 0.946 371 G CA 0.704 45.875 45.100 0.118 0.000 1.317 371 G HN 1.244 nan 8.290 nan 0.000 0.478 372 L N 0.854 122.100 121.223 0.039 0.000 2.613 372 L HA 0.213 4.552 4.340 -0.001 0.000 0.275 372 L C -2.347 174.438 176.870 -0.142 0.000 1.453 372 L CA -1.716 53.095 54.840 -0.048 0.000 0.725 372 L CB 1.696 43.656 42.059 -0.165 0.000 1.013 372 L HN 0.025 nan 8.230 nan 0.000 0.520 373 P HA 0.012 nan 4.420 nan 0.000 0.262 373 P C 0.682 177.897 177.300 -0.142 0.000 1.182 373 P CA -0.100 62.922 63.100 -0.130 0.000 0.761 373 P CB 0.708 32.447 31.700 0.064 0.000 0.795 374 L N 2.566 123.640 121.223 -0.248 0.000 2.551 374 L HA -0.068 4.272 4.340 -0.001 0.000 0.228 374 L C 2.100 178.927 176.870 -0.072 0.000 1.153 374 L CA 1.604 56.327 54.840 -0.196 0.000 0.851 374 L CB -1.862 40.002 42.059 -0.325 0.000 0.959 374 L HN 0.406 nan 8.230 nan 0.000 0.451 375 T N -4.322 110.223 114.554 -0.015 0.000 3.163 375 T HA -0.062 4.287 4.350 -0.001 0.000 0.260 375 T C 0.661 175.384 174.700 0.038 0.000 1.156 375 T CA 0.050 62.162 62.100 0.020 0.000 1.072 375 T CB -0.420 68.475 68.868 0.045 0.000 0.937 375 T HN 0.170 nan 8.240 nan 0.000 0.528 376 D N 1.576 122.003 120.400 0.044 0.000 2.280 376 D HA 0.333 4.972 4.640 -0.001 0.000 0.236 376 D C -1.707 174.631 176.300 0.064 0.000 1.082 376 D CA -2.739 51.312 54.000 0.086 0.000 0.834 376 D CB 2.016 42.918 40.800 0.170 0.000 1.100 376 D HN -0.144 nan 8.370 nan 0.000 0.486 377 P HA -0.233 nan 4.420 nan 0.000 0.218 377 P C 0.816 178.157 177.300 0.069 0.000 1.165 377 P CA 1.451 64.593 63.100 0.071 0.000 0.922 377 P CB 0.274 32.022 31.700 0.080 0.000 0.794 378 N N -1.004 117.741 118.700 0.075 0.000 2.039 378 N HA -0.111 4.628 4.740 -0.001 0.000 0.193 378 N C 1.844 177.343 175.510 -0.019 0.000 1.044 378 N CA 1.115 54.187 53.050 0.037 0.000 0.847 378 N CB -1.517 36.995 38.487 0.043 0.000 1.030 378 N HN -0.032 nan 8.380 nan 0.000 0.422 379 V N 1.704 121.562 119.914 -0.093 0.000 2.252 379 V HA -0.268 3.851 4.120 -0.001 0.000 0.249 379 V C 2.394 178.489 176.094 0.002 0.000 1.056 379 V CA 2.082 64.309 62.300 -0.122 0.000 1.022 379 V CB -1.201 30.510 31.823 -0.185 0.000 0.641 379 V HN 0.380 nan 8.190 nan 0.000 0.445 380 A N -0.382 122.443 122.820 0.010 0.000 2.019 380 A HA -0.066 4.253 4.320 -0.001 0.000 0.219 380 A C 2.356 180.015 177.584 0.124 0.000 1.164 380 A CA 2.019 54.090 52.037 0.056 0.000 0.644 380 A CB -0.619 18.393 19.000 0.020 0.000 0.805 380 A HN 0.612 nan 8.150 nan 0.000 0.449 381 A N -0.347 122.534 122.820 0.103 0.000 1.929 381 A HA 0.291 4.610 4.320 -0.001 0.000 0.216 381 A C 2.451 180.130 177.584 0.159 0.000 1.176 381 A CA 1.715 53.830 52.037 0.131 0.000 0.628 381 A CB -0.819 18.256 19.000 0.127 0.000 0.816 381 A HN 0.890 nan 8.150 nan 0.000 0.444 382 A N -1.307 121.598 122.820 0.143 0.000 1.840 382 A HA -0.045 4.274 4.320 -0.001 0.000 0.214 382 A C 2.105 179.837 177.584 0.248 0.000 1.198 382 A CA 1.484 53.637 52.037 0.194 0.000 0.608 382 A CB -1.060 18.014 19.000 0.122 0.000 0.839 382 A HN 0.675 nan 8.150 nan 0.000 0.443 383 Y N 0.992 121.345 120.300 0.088 0.000 2.132 383 Y HA -0.293 4.256 4.550 -0.001 0.000 0.280 383 Y C 2.518 178.469 175.900 0.085 0.000 1.193 383 Y CA 1.790 59.932 58.100 0.071 0.000 1.157 383 Y CB -0.441 38.039 38.460 0.034 0.000 0.966 383 Y HN 0.311 nan 8.280 nan 0.000 0.511 384 A N -0.169 122.785 122.820 0.224 0.000 2.131 384 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 384 A C 2.137 179.756 177.584 0.059 0.000 1.158 384 A CA 1.854 53.977 52.037 0.144 0.000 0.665 384 A CB -0.719 18.378 19.000 0.161 0.000 0.795 384 A HN 0.665 nan 8.150 nan 0.000 0.460 385 M N -1.091 118.545 119.600 0.059 0.000 2.191 385 M HA 0.083 4.562 4.480 -0.001 0.000 0.262 385 M C 1.993 178.225 176.300 -0.113 0.000 1.083 385 M CA 1.253 56.570 55.300 0.029 0.000 1.154 385 M CB -0.391 32.298 32.600 0.149 0.000 1.344 385 M HN 0.315 nan 8.290 nan 0.000 0.431 386 I N 0.529 120.961 120.570 -0.230 0.000 2.286 386 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 386 I C 2.368 178.364 176.117 -0.202 0.000 1.115 386 I CA 0.839 61.943 61.300 -0.326 0.000 1.392 386 I CB -0.414 37.336 38.000 -0.417 0.000 1.065 386 I HN 0.260 nan 8.210 nan 0.000 0.418 387 L N 1.223 122.298 121.223 -0.247 0.000 2.265 387 L HA -0.048 4.291 4.340 -0.001 0.000 0.215 387 L C 2.128 178.980 176.870 -0.029 0.000 1.117 387 L CA 1.706 56.456 54.840 -0.149 0.000 0.782 387 L CB -0.865 41.084 42.059 -0.184 0.000 0.914 387 L HN 0.147 nan 8.230 nan 0.000 0.441 388 G N -0.158 108.605 108.800 -0.061 0.000 2.494 388 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.216 388 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.216 388 G C 1.311 176.174 174.900 -0.062 0.000 1.140 388 G CA 0.679 45.739 45.100 -0.066 0.000 0.801 388 G HN 0.591 nan 8.290 nan 0.000 0.536 389 I N -2.306 118.226 120.570 -0.063 0.000 3.914 389 I HA 0.342 4.511 4.170 -0.001 0.000 0.333 389 I C 1.268 177.376 176.117 -0.015 0.000 1.449 389 I CA -0.084 61.189 61.300 -0.045 0.000 1.135 389 I CB 0.492 38.455 38.000 -0.062 0.000 1.073 389 I HN -0.167 nan 8.210 nan 0.000 0.401 390 D N 2.971 123.368 120.400 -0.004 0.000 2.103 390 D HA -0.252 4.387 4.640 -0.001 0.000 0.190 390 D C 2.206 178.499 176.300 -0.011 0.000 0.997 390 D CA 2.442 56.456 54.000 0.023 0.000 0.833 390 D CB 0.186 41.000 40.800 0.023 0.000 0.961 390 D HN 0.425 nan 8.370 nan 0.000 0.447 391 A N 1.107 123.918 122.820 -0.015 0.000 1.909 391 A HA -0.262 4.057 4.320 -0.001 0.000 0.221 391 A C 2.428 179.990 177.584 -0.036 0.000 1.223 391 A CA 2.341 54.359 52.037 -0.032 0.000 0.658 391 A CB -0.976 18.009 19.000 -0.025 0.000 0.831 391 A HN 0.413 nan 8.150 nan 0.000 0.462 392 I N -0.290 120.281 120.570 0.002 0.000 2.127 392 I HA -0.252 3.917 4.170 -0.001 0.000 0.241 392 I C 2.552 178.733 176.117 0.107 0.000 1.075 392 I CA 1.524 62.857 61.300 0.055 0.000 1.334 392 I CB -1.533 36.514 38.000 0.079 0.000 1.040 392 I HN 0.333 nan 8.210 nan 0.000 0.405 393 L N 0.183 121.450 121.223 0.073 0.000 2.141 393 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 393 L C 2.326 179.143 176.870 -0.089 0.000 1.094 393 L CA 1.152 56.005 54.840 0.022 0.000 0.763 393 L CB -0.660 41.487 42.059 0.148 0.000 0.908 393 L HN 0.250 nan 8.230 nan 0.000 0.437 394 D N 0.545 120.873 120.400 -0.120 0.000 2.123 394 D HA -0.208 4.431 4.640 -0.001 0.000 0.196 394 D C 2.249 178.441 176.300 -0.181 0.000 0.992 394 D CA 1.539 55.427 54.000 -0.187 0.000 0.833 394 D CB 0.058 40.763 40.800 -0.158 0.000 0.954 394 D HN 0.199 nan 8.370 nan 0.000 0.455 395 M N -0.220 119.248 119.600 -0.221 0.000 2.084 395 M HA -0.051 4.428 4.480 -0.001 0.000 0.259 395 M C 2.459 178.586 176.300 -0.289 0.000 1.072 395 M CA 1.938 56.963 55.300 -0.459 0.000 1.107 395 M CB -0.802 31.285 32.600 -0.855 0.000 1.299 395 M HN 0.094 nan 8.290 nan 0.000 0.413 396 G N -0.226 108.583 108.800 0.015 0.000 2.470 396 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.220 396 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.220 396 G C 1.549 176.482 174.900 0.055 0.000 1.121 396 G CA 0.735 46.015 45.100 0.300 0.000 0.766 396 G HN 0.386 nan 8.290 nan 0.000 0.553 397 R N -0.089 120.371 120.500 -0.067 0.000 2.089 397 R HA -0.072 4.267 4.340 -0.001 0.000 0.222 397 R C 2.659 178.955 176.300 -0.007 0.000 1.151 397 R CA 1.971 58.032 56.100 -0.064 0.000 0.908 397 R CB -0.944 29.270 30.300 -0.143 0.000 0.813 397 R HN 0.217 nan 8.270 nan 0.000 0.440 398 T N 1.800 116.332 114.554 -0.038 0.000 2.684 398 T HA -0.316 4.033 4.350 -0.001 0.000 0.267 398 T C 1.698 176.428 174.700 0.051 0.000 1.032 398 T CA 2.139 64.234 62.100 -0.009 0.000 1.155 398 T CB -0.304 68.538 68.868 -0.043 0.000 0.857 398 T HN 0.386 nan 8.240 nan 0.000 0.457 399 M N 0.633 120.298 119.600 0.108 0.000 2.117 399 M HA -0.118 4.361 4.480 -0.001 0.000 0.262 399 M C 2.133 178.491 176.300 0.097 0.000 1.065 399 M CA 1.599 56.995 55.300 0.160 0.000 1.114 399 M CB -0.225 32.564 32.600 0.315 0.000 1.361 399 M HN 0.126 nan 8.290 nan 0.000 0.408 400 V N 1.493 121.463 119.914 0.093 0.000 2.427 400 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 400 V C 1.916 178.072 176.094 0.102 0.000 1.051 400 V CA 1.772 64.116 62.300 0.072 0.000 1.048 400 V CB -1.264 30.634 31.823 0.124 0.000 0.666 400 V HN 0.521 nan 8.190 nan 0.000 0.456 401 N N 0.627 119.391 118.700 0.106 0.000 2.061 401 N HA -0.159 4.580 4.740 -0.001 0.000 0.193 401 N C 1.773 177.362 175.510 0.131 0.000 1.030 401 N CA 1.630 54.754 53.050 0.124 0.000 0.856 401 N CB -0.828 37.706 38.487 0.079 0.000 1.023 401 N HN 0.371 nan 8.380 nan 0.000 0.424 402 V N 0.979 120.947 119.914 0.089 0.000 2.295 402 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 402 V C 2.232 178.373 176.094 0.079 0.000 1.049 402 V CA 1.934 64.281 62.300 0.079 0.000 1.024 402 V CB -1.121 30.734 31.823 0.053 0.000 0.648 402 V HN 0.347 nan 8.190 nan 0.000 0.447 403 T N 0.689 115.258 114.554 0.025 0.000 2.624 403 T HA -0.220 4.129 4.350 -0.001 0.000 0.268 403 T C 1.946 176.656 174.700 0.016 0.000 1.041 403 T CA 1.897 63.958 62.100 -0.064 0.000 1.159 403 T CB -0.932 67.761 68.868 -0.292 0.000 0.863 403 T HN 0.636 nan 8.240 nan 0.000 0.434 404 G N 1.722 110.624 108.800 0.170 0.000 2.469 404 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.220 404 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.220 404 G C 1.244 176.379 174.900 0.392 0.000 1.136 404 G CA 1.379 46.838 45.100 0.599 0.000 0.759 404 G HN 0.426 nan 8.290 nan 0.000 0.562 405 D N 0.620 121.190 120.400 0.284 0.000 2.077 405 D HA -0.088 4.551 4.640 -0.001 0.000 0.193 405 D C 2.711 179.076 176.300 0.109 0.000 0.989 405 D CA 0.654 54.801 54.000 0.245 0.000 0.831 405 D CB -0.666 40.270 40.800 0.226 0.000 0.979 405 D HN 0.308 nan 8.370 nan 0.000 0.449 406 L N 0.588 121.882 121.223 0.119 0.000 1.990 406 L HA -0.187 4.152 4.340 -0.001 0.000 0.213 406 L C 2.437 179.401 176.870 0.157 0.000 1.072 406 L CA 1.533 56.443 54.840 0.116 0.000 0.755 406 L CB -1.032 41.093 42.059 0.109 0.000 0.889 406 L HN 0.047 nan 8.230 nan 0.000 0.432 407 T N -0.485 114.197 114.554 0.213 0.000 2.996 407 T HA -0.126 4.223 4.350 -0.001 0.000 0.271 407 T C 1.595 176.181 174.700 -0.190 0.000 1.126 407 T CA 1.167 63.322 62.100 0.092 0.000 1.103 407 T CB -0.326 68.731 68.868 0.315 0.000 0.870 407 T HN 0.637 nan 8.240 nan 0.000 0.528 408 G N 0.503 109.042 108.800 -0.436 0.000 2.559 408 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.209 408 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.209 408 G C 1.642 176.165 174.900 -0.627 0.000 1.151 408 G CA 0.529 44.895 45.100 -1.224 0.000 0.824 408 G HN 0.397 nan 8.290 nan 0.000 0.543 409 T N 2.060 116.444 114.554 -0.282 0.000 2.708 409 T HA -0.025 4.324 4.350 -0.001 0.000 0.266 409 T C 2.817 177.454 174.700 -0.104 0.000 1.037 409 T CA 1.601 63.635 62.100 -0.110 0.000 1.146 409 T CB -0.372 68.510 68.868 0.022 0.000 0.865 409 T HN 0.321 nan 8.240 nan 0.000 0.435 410 A N 1.160 123.940 122.820 -0.068 0.000 1.908 410 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 410 A C 2.144 179.646 177.584 -0.138 0.000 1.181 410 A CA 1.458 53.478 52.037 -0.027 0.000 0.627 410 A CB -0.711 18.373 19.000 0.141 0.000 0.818 410 A HN 0.428 nan 8.150 nan 0.000 0.445 411 I N -0.887 119.511 120.570 -0.286 0.000 2.439 411 I HA -0.118 4.051 4.170 -0.001 0.000 0.251 411 I C 2.328 178.159 176.117 -0.476 0.000 1.139 411 I CA 0.881 61.872 61.300 -0.515 0.000 1.438 411 I CB -0.528 37.028 38.000 -0.739 0.000 1.085 411 I HN 0.184 nan 8.210 nan 0.000 0.427 412 V N 0.518 120.227 119.914 -0.343 0.000 2.548 412 V HA -0.164 3.956 4.120 -0.001 0.000 0.249 412 V C 2.536 178.549 176.094 -0.135 0.000 1.055 412 V CA 1.693 63.859 62.300 -0.223 0.000 1.065 412 V CB -0.421 31.304 31.823 -0.163 0.000 0.681 412 V HN 0.391 nan 8.190 nan 0.000 0.462 413 A N 0.228 122.983 122.820 -0.109 0.000 1.898 413 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 413 A C 2.170 179.725 177.584 -0.048 0.000 1.181 413 A CA 2.049 54.054 52.037 -0.053 0.000 0.620 413 A CB -0.692 18.294 19.000 -0.024 0.000 0.819 413 A HN 0.550 nan 8.150 nan 0.000 0.442 414 K N 0.498 120.859 120.400 -0.066 0.000 2.089 414 K HA -0.164 4.155 4.320 -0.001 0.000 0.210 414 K C 1.624 178.232 176.600 0.012 0.000 1.048 414 K CA 2.478 58.755 56.287 -0.016 0.000 0.926 414 K CB -0.750 31.746 32.500 -0.005 0.000 0.714 414 K HN 0.571 nan 8.250 nan 0.000 0.448 415 T N -2.600 111.944 114.554 -0.017 0.000 3.145 415 T HA 0.208 4.558 4.350 -0.001 0.000 0.255 415 T C 0.282 174.978 174.700 -0.006 0.000 1.039 415 T CA -0.490 61.621 62.100 0.017 0.000 0.928 415 T CB 0.154 69.048 68.868 0.044 0.000 1.029 415 T HN 0.156 nan 8.240 nan 0.000 0.554 416 E N 0.000 120.186 120.200 -0.023 0.000 2.725 416 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 416 E CA 0.000 56.383 56.400 -0.029 0.000 0.976 416 E CB 0.000 29.672 29.700 -0.046 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440