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 1qez_1_F DATA FIRST_RESID 6002 DATA SEQUENCE KLSPGKNAPD VVNVLVEIPQ GSNIKYEYDD EEGVIKVDRV LYTSMNYPFN DATA SEQUENCE YGFIPGTLEE DGDPLDVLVI TNYQLYPGSV IEVRPIGILY MKDEEGEDAK DATA SEQUENCE IVAVPKDKTD PSFSNIKDIN DLPQATKNKI VHFFEHYKEL EPGKYVKISG DATA SEQUENCE WGSATEAKNR IQLAIKRVSG 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 6002 K HA 0.000 nan 4.320 nan 0.000 0.191 6002 K C 0.000 176.604 176.600 0.006 0.000 0.988 6002 K CA 0.000 56.301 56.287 0.023 0.000 0.838 6002 K CB 0.000 32.516 32.500 0.027 0.000 1.064 6003 L N 1.670 122.896 121.223 0.006 0.000 2.370 6003 L HA 0.787 5.125 4.340 -0.004 0.000 0.266 6003 L C 0.217 177.084 176.870 -0.005 0.000 1.002 6003 L CA -0.968 53.862 54.840 -0.017 0.000 0.818 6003 L CB 2.515 44.543 42.059 -0.052 0.000 1.325 6003 L HN 0.405 nan 8.230 nan 0.000 0.418 6004 S N 0.365 116.055 115.700 -0.017 0.000 2.677 6004 S HA 0.628 5.095 4.470 -0.004 0.000 0.304 6004 S C -2.437 172.150 174.600 -0.021 0.000 1.108 6004 S CA -1.362 56.833 58.200 -0.009 0.000 0.944 6004 S CB 1.914 65.109 63.200 -0.008 0.000 1.127 6004 S HN 0.366 nan 8.310 nan 0.000 0.511 6005 P HA 0.266 nan 4.420 nan 0.000 0.229 6005 P C 0.577 177.860 177.300 -0.029 0.000 1.160 6005 P CA 1.171 64.258 63.100 -0.021 0.000 0.777 6005 P CB -0.342 31.354 31.700 -0.007 0.000 0.814 6006 G N -2.113 106.673 108.800 -0.023 0.000 2.627 6006 G HA2 0.180 4.137 3.960 -0.004 0.000 0.680 6006 G HA3 0.180 4.137 3.960 -0.004 0.000 0.680 6006 G C 0.631 175.521 174.900 -0.016 0.000 1.341 6006 G CA -0.207 44.879 45.100 -0.023 0.000 0.835 6006 G HN 0.135 nan 8.290 nan 0.000 0.643 6007 K N -0.291 120.100 120.400 -0.014 0.000 2.280 6007 K HA -0.001 4.317 4.320 -0.004 0.000 0.202 6007 K C 1.535 178.130 176.600 -0.009 0.000 1.047 6007 K CA 2.121 58.402 56.287 -0.010 0.000 0.942 6007 K CB -0.263 32.231 32.500 -0.009 0.000 0.739 6007 K HN 0.598 nan 8.250 nan 0.000 0.457 6008 N N -0.327 118.367 118.700 -0.011 0.000 2.238 6008 N HA 0.317 5.055 4.740 -0.004 0.000 0.222 6008 N C -0.073 175.431 175.510 -0.010 0.000 1.133 6008 N CA 0.300 53.345 53.050 -0.009 0.000 0.854 6008 N CB 0.705 39.187 38.487 -0.009 0.000 1.041 6008 N HN 0.557 nan 8.380 nan 0.000 0.510 6009 A N 1.505 124.318 122.820 -0.011 0.000 2.531 6009 A HA 0.232 4.550 4.320 -0.004 0.000 0.236 6009 A C -1.151 176.429 177.584 -0.008 0.000 1.062 6009 A CA -0.510 51.520 52.037 -0.012 0.000 0.760 6009 A CB 0.216 19.209 19.000 -0.011 0.000 0.995 6009 A HN 0.100 nan 8.150 nan 0.000 0.501 6010 P HA 0.096 nan 4.420 nan 0.000 0.262 6010 P C 0.077 177.369 177.300 -0.013 0.000 1.304 6010 P CA 0.120 63.213 63.100 -0.011 0.000 0.859 6010 P CB 0.441 32.136 31.700 -0.008 0.000 1.310 6011 D N 0.000 120.394 120.400 -0.010 0.000 2.178 6011 D HA -0.014 4.624 4.640 -0.004 0.000 0.202 6011 D C 0.487 176.779 176.300 -0.013 0.000 0.974 6011 D CA 1.154 55.148 54.000 -0.009 0.000 0.841 6011 D CB 0.510 41.307 40.800 -0.005 0.000 0.953 6011 D HN 0.079 nan 8.370 nan 0.000 0.478 6012 V N 1.060 120.964 119.914 -0.016 0.000 2.668 6012 V HA 0.276 4.394 4.120 -0.004 0.000 0.304 6012 V C -0.288 175.789 176.094 -0.028 0.000 1.071 6012 V CA -0.807 61.480 62.300 -0.022 0.000 0.894 6012 V CB 2.535 34.348 31.823 -0.016 0.000 1.008 6012 V HN -0.039 nan 8.190 nan 0.000 0.425 6013 V N 1.762 121.652 119.914 -0.039 0.000 3.074 6013 V HA 0.755 4.872 4.120 -0.004 0.000 0.314 6013 V C -0.525 175.530 176.094 -0.064 0.000 1.117 6013 V CA -1.010 61.262 62.300 -0.047 0.000 1.014 6013 V CB 2.444 34.239 31.823 -0.047 0.000 1.057 6013 V HN 0.682 nan 8.190 nan 0.000 0.438 6014 N N 0.990 119.646 118.700 -0.074 0.000 2.499 6014 N HA 0.632 5.369 4.740 -0.004 0.000 0.281 6014 N C -0.834 174.587 175.510 -0.148 0.000 1.098 6014 N CA -0.162 52.827 53.050 -0.102 0.000 0.979 6014 N CB 1.669 40.096 38.487 -0.100 0.000 1.121 6014 N HN 0.678 nan 8.380 nan 0.000 0.466 6015 V N 2.842 122.649 119.914 -0.179 0.000 2.483 6015 V HA 0.304 4.421 4.120 -0.004 0.000 0.297 6015 V C -0.052 175.854 176.094 -0.314 0.000 1.027 6015 V CA -0.840 61.309 62.300 -0.251 0.000 0.855 6015 V CB 2.041 33.748 31.823 -0.193 0.000 0.995 6015 V HN 0.487 nan 8.190 nan 0.000 0.424 6016 L N 6.189 127.095 121.223 -0.529 0.000 2.283 6016 L HA 0.494 4.832 4.340 -0.004 0.000 0.287 6016 L C -0.212 176.413 176.870 -0.408 0.000 1.073 6016 L CA -0.227 54.291 54.840 -0.536 0.000 0.822 6016 L CB 1.128 42.661 42.059 -0.876 0.000 1.186 6016 L HN 0.483 nan 8.230 nan 0.000 0.436 6017 V N 5.887 125.674 119.914 -0.210 0.000 2.572 6017 V HA 0.046 4.164 4.120 -0.004 0.000 0.291 6017 V C 0.753 176.832 176.094 -0.025 0.000 1.039 6017 V CA 0.316 62.558 62.300 -0.098 0.000 1.055 6017 V CB 1.173 32.968 31.823 -0.047 0.000 0.969 6017 V HN 0.903 nan 8.190 nan 0.000 0.482 6018 E N 3.480 123.724 120.200 0.074 0.000 2.288 6018 E HA 0.327 4.675 4.350 -0.004 0.000 0.200 6018 E C -0.113 176.566 176.600 0.133 0.000 0.880 6018 E CA 0.165 56.667 56.400 0.170 0.000 0.971 6018 E CB 0.667 30.569 29.700 0.337 0.000 0.954 6018 E HN 0.596 nan 8.360 nan 0.000 0.489 6019 I N 3.780 124.418 120.570 0.115 0.000 2.382 6019 I HA 0.267 4.435 4.170 -0.004 0.000 0.285 6019 I C -2.462 173.629 176.117 -0.044 0.000 1.007 6019 I CA -2.566 58.727 61.300 -0.012 0.000 1.142 6019 I CB 1.610 39.391 38.000 -0.366 0.000 1.289 6019 I HN -0.156 nan 8.210 nan 0.000 0.453 6020 P HA 0.007 nan 4.420 nan 0.000 0.272 6020 P C -0.780 176.478 177.300 -0.071 0.000 1.223 6020 P CA -0.334 62.729 63.100 -0.063 0.000 0.784 6020 P CB 0.719 32.359 31.700 -0.100 0.000 0.923 6021 Q N 0.990 120.749 119.800 -0.068 0.000 2.361 6021 Q HA 0.259 4.597 4.340 -0.004 0.000 0.276 6021 Q C 1.104 177.054 176.000 -0.083 0.000 1.022 6021 Q CA 1.042 56.790 55.803 -0.093 0.000 0.898 6021 Q CB -0.430 28.252 28.738 -0.093 0.000 1.246 6021 Q HN 0.841 nan 8.270 nan 0.000 0.410 6022 G N 2.148 110.886 108.800 -0.103 0.000 2.253 6022 G HA2 -0.321 3.636 3.960 -0.004 0.000 0.251 6022 G HA3 -0.321 3.636 3.960 -0.004 0.000 0.251 6022 G C 0.213 175.103 174.900 -0.017 0.000 0.998 6022 G CA 0.303 45.362 45.100 -0.067 0.000 0.621 6022 G HN 0.815 nan 8.290 nan 0.000 0.524 6023 S N 1.047 116.750 115.700 0.006 0.000 2.579 6023 S HA 0.432 4.899 4.470 -0.004 0.000 0.275 6023 S C 1.267 175.959 174.600 0.153 0.000 1.345 6023 S CA 0.710 58.948 58.200 0.063 0.000 1.031 6023 S CB 0.518 63.747 63.200 0.048 0.000 0.892 6023 S HN 0.957 nan 8.310 nan 0.000 0.529 6024 N N 3.557 122.339 118.700 0.136 0.000 2.241 6024 N HA 0.159 4.896 4.740 -0.004 0.000 0.238 6024 N C -0.765 174.828 175.510 0.137 0.000 1.244 6024 N CA -0.174 52.979 53.050 0.172 0.000 0.880 6024 N CB 0.031 38.584 38.487 0.110 0.000 1.179 6024 N HN 0.516 nan 8.380 nan 0.000 0.513 6025 I N 1.024 121.633 120.570 0.065 0.000 2.389 6025 I HA 0.225 4.392 4.170 -0.004 0.000 0.288 6025 I C -0.008 176.003 176.117 -0.177 0.000 0.999 6025 I CA -0.768 60.469 61.300 -0.106 0.000 1.129 6025 I CB 2.168 39.991 38.000 -0.294 0.000 1.288 6025 I HN -0.120 nan 8.210 nan 0.000 0.444 6026 K N 6.939 127.272 120.400 -0.112 0.000 2.219 6026 K HA 0.257 4.574 4.320 -0.004 0.000 0.280 6026 K C -1.179 175.339 176.600 -0.137 0.000 1.104 6026 K CA -0.277 55.968 56.287 -0.071 0.000 0.925 6026 K CB 0.260 32.806 32.500 0.077 0.000 1.261 6026 K HN 0.361 nan 8.250 nan 0.000 0.445 6027 Y N 1.802 122.099 120.300 -0.006 0.000 2.307 6027 Y HA 0.171 4.719 4.550 -0.004 0.000 0.324 6027 Y C 0.325 176.282 175.900 0.094 0.000 1.238 6027 Y CA -0.131 57.996 58.100 0.046 0.000 1.280 6027 Y CB 1.154 39.643 38.460 0.048 0.000 1.248 6027 Y HN 0.512 nan 8.280 nan 0.000 0.508 6028 E N 1.455 121.833 120.200 0.297 0.000 2.260 6028 E HA 0.166 4.513 4.350 -0.004 0.000 0.266 6028 E C -1.968 174.785 176.600 0.254 0.000 0.887 6028 E CA -0.886 55.663 56.400 0.248 0.000 0.777 6028 E CB 1.125 30.914 29.700 0.148 0.000 1.205 6028 E HN 0.586 nan 8.360 nan 0.000 0.414 6029 Y N 3.826 124.256 120.300 0.217 0.000 2.359 6029 Y HA 0.161 4.708 4.550 -0.005 0.000 0.334 6029 Y C -0.482 175.492 175.900 0.125 0.000 1.058 6029 Y CA -0.124 58.098 58.100 0.204 0.000 1.244 6029 Y CB 0.791 39.459 38.460 0.346 0.000 1.187 6029 Y HN 0.371 nan 8.280 nan 0.000 0.510 6030 D N 5.272 125.320 120.400 -0.585 0.000 2.443 6030 D HA 0.079 4.717 4.640 -0.004 0.000 0.221 6030 D C 0.129 176.066 176.300 -0.605 0.000 1.097 6030 D CA -0.332 53.426 54.000 -0.402 0.000 0.865 6030 D CB 0.810 41.474 40.800 -0.226 0.000 1.034 6030 D HN 0.794 nan 8.370 nan 0.000 0.511 6031 D N 2.948 123.190 120.400 -0.264 0.000 2.182 6031 D HA -0.217 4.420 4.640 -0.004 0.000 0.201 6031 D C 1.336 177.624 176.300 -0.020 0.000 0.986 6031 D CA 1.166 55.186 54.000 0.033 0.000 0.847 6031 D CB 0.136 41.060 40.800 0.205 0.000 0.942 6031 D HN 0.525 nan 8.370 nan 0.000 0.467 6032 E N 1.044 121.211 120.200 -0.055 0.000 1.998 6032 E HA -0.177 4.170 4.350 -0.004 0.000 0.196 6032 E C 2.006 178.579 176.600 -0.046 0.000 1.003 6032 E CA 1.181 57.561 56.400 -0.034 0.000 0.829 6032 E CB -0.353 29.326 29.700 -0.035 0.000 0.777 6032 E HN 0.458 nan 8.360 nan 0.000 0.460 6033 E N 0.079 120.233 120.200 -0.077 0.000 2.268 6033 E HA -0.074 4.274 4.350 -0.004 0.000 0.195 6033 E C 1.153 177.706 176.600 -0.079 0.000 0.995 6033 E CA 0.703 57.063 56.400 -0.067 0.000 0.836 6033 E CB -0.108 29.551 29.700 -0.069 0.000 0.763 6033 E HN 0.500 nan 8.360 nan 0.000 0.491 6034 G N 1.420 110.129 108.800 -0.152 0.000 2.198 6034 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.257 6034 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.257 6034 G C 0.296 175.114 174.900 -0.137 0.000 1.042 6034 G CA 0.494 45.520 45.100 -0.123 0.000 0.791 6034 G HN 0.310 nan 8.290 nan 0.000 0.502 6035 V N -2.866 116.890 119.914 -0.263 0.000 3.141 6035 V HA 0.821 4.938 4.120 -0.004 0.000 0.312 6035 V C 0.429 176.441 176.094 -0.138 0.000 1.157 6035 V CA -1.984 60.248 62.300 -0.115 0.000 1.041 6035 V CB 2.114 33.911 31.823 -0.044 0.000 1.071 6035 V HN 0.158 nan 8.190 nan 0.000 0.441 6036 I N 2.448 123.041 120.570 0.038 0.000 2.312 6036 I HA 0.440 4.607 4.170 -0.004 0.000 0.291 6036 I C 0.353 176.557 176.117 0.146 0.000 1.031 6036 I CA -0.086 61.290 61.300 0.126 0.000 1.293 6036 I CB 0.921 38.995 38.000 0.123 0.000 1.403 6036 I HN 0.753 nan 8.210 nan 0.000 0.484 6037 K N 4.783 125.272 120.400 0.148 0.000 2.106 6037 K HA 0.542 4.859 4.320 -0.004 0.000 0.246 6037 K C -0.711 176.008 176.600 0.198 0.000 0.987 6037 K CA -0.827 55.543 56.287 0.138 0.000 0.904 6037 K CB 2.410 34.947 32.500 0.062 0.000 1.071 6037 K HN 0.197 nan 8.250 nan 0.000 0.453 6038 V N 2.344 122.316 119.914 0.098 0.000 2.304 6038 V HA -0.025 4.093 4.120 -0.004 0.000 0.269 6038 V C 0.916 176.992 176.094 -0.030 0.000 1.036 6038 V CA 0.001 62.272 62.300 -0.047 0.000 0.840 6038 V CB 0.789 32.562 31.823 -0.085 0.000 1.036 6038 V HN 0.802 nan 8.190 nan 0.000 0.466 6039 D N 4.156 124.539 120.400 -0.028 0.000 2.084 6039 D HA -0.039 4.599 4.640 -0.004 0.000 0.196 6039 D C 1.041 177.336 176.300 -0.009 0.000 0.985 6039 D CA 1.256 55.254 54.000 -0.003 0.000 0.826 6039 D CB 0.365 41.174 40.800 0.015 0.000 0.978 6039 D HN 0.625 nan 8.370 nan 0.000 0.456 6040 R N -1.776 118.706 120.500 -0.029 0.000 2.774 6040 R HA 0.271 4.609 4.340 -0.004 0.000 0.279 6040 R C -2.221 174.082 176.300 0.006 0.000 1.022 6040 R CA -0.750 55.359 56.100 0.016 0.000 0.855 6040 R CB 0.438 30.763 30.300 0.041 0.000 1.279 6040 R HN -0.114 nan 8.270 nan 0.000 0.485 6041 V N 2.925 122.889 119.914 0.082 0.000 2.328 6041 V HA 0.307 4.424 4.120 -0.004 0.000 0.278 6041 V C 0.901 177.110 176.094 0.191 0.000 1.021 6041 V CA -0.948 61.404 62.300 0.085 0.000 0.838 6041 V CB 1.209 33.069 31.823 0.062 0.000 0.999 6041 V HN 0.534 nan 8.190 nan 0.000 0.447 6042 L N 5.531 126.847 121.223 0.155 0.000 2.769 6042 L HA -0.130 4.207 4.340 -0.004 0.000 0.293 6042 L C 1.072 178.102 176.870 0.268 0.000 1.224 6042 L CA 0.418 55.352 54.840 0.156 0.000 0.906 6042 L CB -0.150 42.007 42.059 0.163 0.000 1.193 6042 L HN 0.680 nan 8.230 nan 0.000 0.488 6043 Y N 0.774 121.067 120.300 -0.011 0.000 2.509 6043 Y HA -0.049 4.498 4.550 -0.007 0.000 0.293 6043 Y C 1.733 177.628 175.900 -0.008 0.000 1.133 6043 Y CA 0.008 58.098 58.100 -0.017 0.000 1.283 6043 Y CB -0.769 37.670 38.460 -0.036 0.000 1.001 6043 Y HN 0.594 nan 8.280 nan 0.000 0.555 6044 T N -3.688 110.958 114.554 0.153 0.000 2.943 6044 T HA 0.290 4.637 4.350 -0.004 0.000 0.284 6044 T C 0.566 175.319 174.700 0.090 0.000 1.015 6044 T CA -0.868 61.289 62.100 0.095 0.000 1.042 6044 T CB 2.051 70.957 68.868 0.063 0.000 1.055 6044 T HN -0.050 nan 8.240 nan 0.000 0.500 6045 S N 1.584 117.327 115.700 0.072 0.000 3.811 6045 S HA 0.314 4.782 4.470 -0.004 0.000 0.205 6045 S C -0.011 174.632 174.600 0.073 0.000 1.445 6045 S CA -0.649 57.590 58.200 0.064 0.000 1.097 6045 S CB -1.474 61.753 63.200 0.045 0.000 1.350 6045 S HN 0.547 nan 8.310 nan 0.000 0.471 6046 M N 2.138 121.796 119.600 0.097 0.000 2.796 6046 M HA 0.563 5.041 4.480 -0.004 0.000 0.303 6046 M C -0.609 175.759 176.300 0.114 0.000 1.240 6046 M CA -0.981 54.393 55.300 0.123 0.000 0.831 6046 M CB 1.831 34.544 32.600 0.189 0.000 1.750 6046 M HN 0.340 nan 8.290 nan 0.000 0.484 6047 N N -0.328 118.407 118.700 0.059 0.000 2.405 6047 N HA 0.279 5.016 4.740 -0.004 0.000 0.274 6047 N C -2.029 173.239 175.510 -0.404 0.000 1.170 6047 N CA -0.690 52.340 53.050 -0.033 0.000 0.848 6047 N CB 1.154 39.628 38.487 -0.022 0.000 1.629 6047 N HN 0.498 nan 8.380 nan 0.000 0.481 6048 Y N 1.254 121.198 120.300 -0.594 0.000 2.745 6048 Y HA 0.084 4.633 4.550 -0.000 0.000 0.335 6048 Y C -1.117 174.134 175.900 -1.082 0.000 1.212 6048 Y CA -0.666 56.705 58.100 -1.215 0.000 1.535 6048 Y CB 0.369 38.328 38.460 -0.835 0.000 1.220 6048 Y HN 0.416 nan 8.280 nan 0.000 0.531 6049 P HA 0.038 nan 4.420 nan 0.000 0.255 6049 P C -1.040 176.044 177.300 -0.360 0.000 1.427 6049 P CA 0.490 63.211 63.100 -0.632 0.000 0.863 6049 P CB -0.393 31.035 31.700 -0.455 0.000 1.444 6050 F N -3.756 116.104 119.950 -0.149 0.000 2.842 6050 F HA 0.403 4.927 4.527 -0.005 0.000 0.319 6050 F C -1.070 174.714 175.800 -0.027 0.000 1.159 6050 F CA -1.689 56.262 58.000 -0.082 0.000 0.902 6050 F CB -0.049 38.930 39.000 -0.037 0.000 1.311 6050 F HN -0.399 nan 8.300 nan 0.000 0.453 6051 N N 0.974 119.822 118.700 0.246 0.000 2.488 6051 N HA 0.195 4.932 4.740 -0.004 0.000 0.274 6051 N C -1.759 173.959 175.510 0.346 0.000 1.111 6051 N CA -0.092 53.056 53.050 0.164 0.000 0.974 6051 N CB 1.418 39.923 38.487 0.031 0.000 1.089 6051 N HN 0.752 nan 8.380 nan 0.000 0.465 6052 Y N 0.766 121.170 120.300 0.174 0.000 2.409 6052 Y HA 0.618 5.166 4.550 -0.004 0.000 0.339 6052 Y C 0.350 176.313 175.900 0.105 0.000 1.033 6052 Y CA -0.201 58.033 58.100 0.224 0.000 1.094 6052 Y CB 1.276 39.910 38.460 0.290 0.000 1.210 6052 Y HN 0.616 nan 8.280 nan 0.000 0.456 6053 G N 3.543 112.085 108.800 -0.429 0.000 2.490 6053 G HA2 0.449 4.407 3.960 -0.004 0.000 0.308 6053 G HA3 0.449 4.407 3.960 -0.004 0.000 0.308 6053 G C -2.067 172.675 174.900 -0.264 0.000 1.286 6053 G CA -0.563 44.395 45.100 -0.237 0.000 0.825 6053 G HN 0.804 nan 8.290 nan 0.000 0.479 6054 F N -1.300 118.535 119.950 -0.192 0.000 2.613 6054 F HA 0.817 5.341 4.527 -0.005 0.000 0.314 6054 F C -0.713 175.016 175.800 -0.117 0.000 1.075 6054 F CA -1.693 56.215 58.000 -0.153 0.000 0.945 6054 F CB 1.381 40.337 39.000 -0.074 0.000 1.310 6054 F HN 0.390 nan 8.300 nan 0.000 0.467 6055 I N 4.338 124.954 120.570 0.077 0.000 2.322 6055 I HA 0.262 4.429 4.170 -0.004 0.000 0.292 6055 I C -2.113 174.102 176.117 0.164 0.000 1.060 6055 I CA -1.925 59.373 61.300 -0.003 0.000 1.309 6055 I CB 0.801 38.802 38.000 0.002 0.000 1.415 6055 I HN 0.335 nan 8.210 nan 0.000 0.492 6056 P HA 0.050 nan 4.420 nan 0.000 0.269 6056 P C 0.662 178.031 177.300 0.115 0.000 1.209 6056 P CA 0.341 63.557 63.100 0.195 0.000 0.776 6056 P CB 0.831 32.552 31.700 0.034 0.000 0.876 6057 G N 0.783 109.656 108.800 0.121 0.000 2.160 6057 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.244 6057 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.244 6057 G C 0.077 175.008 174.900 0.051 0.000 1.022 6057 G CA 0.324 45.463 45.100 0.065 0.000 0.741 6057 G HN 0.936 nan 8.290 nan 0.000 0.508 6058 T N -2.752 111.840 114.554 0.063 0.000 2.906 6058 T HA 0.791 5.138 4.350 -0.004 0.000 0.295 6058 T C -0.854 173.862 174.700 0.027 0.000 1.061 6058 T CA -0.755 61.369 62.100 0.041 0.000 1.000 6058 T CB 2.865 71.759 68.868 0.044 0.000 1.103 6058 T HN 1.378 nan 8.240 nan 0.000 0.486 6059 L N 0.929 122.161 121.223 0.015 0.000 2.464 6059 L HA 0.662 5.000 4.340 -0.004 0.000 0.266 6059 L C -0.879 175.993 176.870 0.003 0.000 0.965 6059 L CA -0.362 54.481 54.840 0.004 0.000 0.833 6059 L CB 1.989 44.049 42.059 0.002 0.000 1.296 6059 L HN 0.766 nan 8.230 nan 0.000 0.405 6060 E N 2.370 122.569 120.200 -0.001 0.000 2.239 6060 E HA 0.246 4.593 4.350 -0.004 0.000 0.261 6060 E C 0.026 176.626 176.600 -0.001 0.000 1.016 6060 E CA -0.471 55.930 56.400 0.001 0.000 0.882 6060 E CB 1.491 31.191 29.700 0.000 0.000 1.190 6060 E HN 0.674 nan 8.360 nan 0.000 0.415 6061 E N 0.370 120.571 120.200 0.002 0.000 2.267 6061 E HA -0.203 4.145 4.350 -0.004 0.000 0.197 6061 E C 0.545 177.143 176.600 -0.004 0.000 0.998 6061 E CA 1.265 57.664 56.400 -0.000 0.000 0.830 6061 E CB 0.102 29.803 29.700 0.002 0.000 0.751 6061 E HN 0.345 nan 8.360 nan 0.000 0.491 6062 D N -1.377 119.020 120.400 -0.005 0.000 2.328 6062 D HA 0.049 4.687 4.640 -0.004 0.000 0.226 6062 D C 1.206 177.499 176.300 -0.011 0.000 1.066 6062 D CA 0.624 54.619 54.000 -0.008 0.000 0.861 6062 D CB 0.092 40.887 40.800 -0.009 0.000 0.912 6062 D HN 0.149 nan 8.370 nan 0.000 0.521 6063 G N -0.374 108.419 108.800 -0.011 0.000 2.184 6063 G HA2 -0.255 3.702 3.960 -0.004 0.000 0.264 6063 G HA3 -0.255 3.702 3.960 -0.004 0.000 0.264 6063 G C -0.248 174.637 174.900 -0.024 0.000 0.975 6063 G CA 0.340 45.431 45.100 -0.015 0.000 0.642 6063 G HN 0.450 nan 8.290 nan 0.000 0.536 6064 D N 0.622 121.007 120.400 -0.026 0.000 2.299 6064 D HA 0.581 5.218 4.640 -0.004 0.000 0.243 6064 D C -2.236 174.036 176.300 -0.046 0.000 0.982 6064 D CA -1.540 52.431 54.000 -0.047 0.000 0.924 6064 D CB 1.703 42.482 40.800 -0.035 0.000 1.238 6064 D HN 0.039 nan 8.370 nan 0.000 0.484 6065 P HA 0.093 nan 4.420 nan 0.000 0.272 6065 P C -0.297 177.010 177.300 0.012 0.000 1.240 6065 P CA -0.678 62.400 63.100 -0.038 0.000 0.791 6065 P CB 0.528 32.167 31.700 -0.101 0.000 0.978 6066 L N 2.351 123.602 121.223 0.045 0.000 2.360 6066 L HA 0.183 4.520 4.340 -0.004 0.000 0.276 6066 L C -0.090 176.802 176.870 0.037 0.000 1.121 6066 L CA 0.362 55.218 54.840 0.026 0.000 0.845 6066 L CB -0.760 41.303 42.059 0.007 0.000 1.143 6066 L HN 0.250 nan 8.230 nan 0.000 0.452 6067 D N 3.769 124.167 120.400 -0.004 0.000 2.329 6067 D HA 0.450 5.087 4.640 -0.004 0.000 0.246 6067 D C -0.644 175.555 176.300 -0.169 0.000 1.111 6067 D CA -0.031 53.915 54.000 -0.091 0.000 0.941 6067 D CB 1.744 42.515 40.800 -0.049 0.000 1.169 6067 D HN 0.313 nan 8.370 nan 0.000 0.441 6068 V N 1.303 121.034 119.914 -0.305 0.000 2.808 6068 V HA 0.222 4.340 4.120 -0.004 0.000 0.308 6068 V C -0.707 175.200 176.094 -0.312 0.000 1.099 6068 V CA -0.869 61.278 62.300 -0.255 0.000 0.920 6068 V CB 2.075 33.779 31.823 -0.197 0.000 1.014 6068 V HN 0.255 nan 8.190 nan 0.000 0.425 6069 L N 4.601 125.654 121.223 -0.283 0.000 2.297 6069 L HA 0.466 4.804 4.340 -0.004 0.000 0.277 6069 L C -0.072 176.659 176.870 -0.232 0.000 1.040 6069 L CA 0.003 54.592 54.840 -0.418 0.000 0.867 6069 L CB 1.375 42.980 42.059 -0.757 0.000 1.244 6069 L HN 0.475 nan 8.230 nan 0.000 0.433 6070 V N 4.951 124.802 119.914 -0.105 0.000 2.427 6070 V HA 0.280 4.397 4.120 -0.004 0.000 0.268 6070 V C 0.585 176.615 176.094 -0.106 0.000 1.046 6070 V CA -0.269 61.960 62.300 -0.118 0.000 0.970 6070 V CB 0.866 32.625 31.823 -0.107 0.000 1.001 6070 V HN 0.443 nan 8.190 nan 0.000 0.476 6071 I N 6.204 126.649 120.570 -0.208 0.000 2.304 6071 I HA 0.508 4.676 4.170 -0.004 0.000 0.291 6071 I C 0.516 176.304 176.117 -0.548 0.000 1.018 6071 I CA 0.256 61.414 61.300 -0.237 0.000 1.260 6071 I CB 1.350 39.248 38.000 -0.169 0.000 1.390 6071 I HN 0.868 nan 8.210 nan 0.000 0.475 6072 T N 1.311 115.606 114.554 -0.433 0.000 2.754 6072 T HA 0.369 4.716 4.350 -0.004 0.000 0.296 6072 T C -0.419 174.103 174.700 -0.297 0.000 1.205 6072 T CA -1.007 60.743 62.100 -0.582 0.000 1.009 6072 T CB 1.435 69.606 68.868 -1.162 0.000 1.368 6072 T HN 0.501 nan 8.240 nan 0.000 0.509 6073 N N -0.145 118.392 118.700 -0.271 0.000 2.467 6073 N HA 0.417 5.155 4.740 -0.004 0.000 0.278 6073 N C -1.019 174.518 175.510 0.045 0.000 1.306 6073 N CA -0.733 52.304 53.050 -0.022 0.000 0.905 6073 N CB -0.082 38.489 38.487 0.140 0.000 1.236 6073 N HN 0.746 nan 8.380 nan 0.000 0.509 6074 Y N -2.553 117.786 120.300 0.065 0.000 2.656 6074 Y HA 0.459 5.007 4.550 -0.003 0.000 0.334 6074 Y C -1.280 174.617 175.900 -0.006 0.000 1.179 6074 Y CA -1.681 56.434 58.100 0.025 0.000 1.050 6074 Y CB 0.909 39.392 38.460 0.038 0.000 1.308 6074 Y HN -0.063 nan 8.280 nan 0.000 0.456 6075 Q N 2.272 122.154 119.800 0.136 0.000 2.214 6075 Q HA 0.783 5.120 4.340 -0.004 0.000 0.251 6075 Q C -1.239 174.783 176.000 0.037 0.000 0.936 6075 Q CA -0.960 54.853 55.803 0.017 0.000 0.894 6075 Q CB 2.415 31.108 28.738 -0.076 0.000 1.252 6075 Q HN 0.654 nan 8.270 nan 0.000 0.448 6076 L N 0.914 122.132 121.223 -0.009 0.000 2.322 6076 L HA 0.485 4.822 4.340 -0.004 0.000 0.269 6076 L C -0.800 176.015 176.870 -0.091 0.000 1.012 6076 L CA -1.293 53.559 54.840 0.021 0.000 0.815 6076 L CB 0.911 43.013 42.059 0.070 0.000 1.295 6076 L HN 0.603 nan 8.230 nan 0.000 0.438 6077 Y N 1.095 121.390 120.300 -0.009 0.000 2.319 6077 Y HA 0.202 4.750 4.550 -0.003 0.000 0.328 6077 Y C -1.901 173.958 175.900 -0.069 0.000 1.133 6077 Y CA -1.804 56.271 58.100 -0.042 0.000 1.265 6077 Y CB 0.274 38.711 38.460 -0.038 0.000 1.218 6077 Y HN 0.285 nan 8.280 nan 0.000 0.508 6078 P HA 0.039 nan 4.420 nan 0.000 0.262 6078 P C 0.678 177.980 177.300 0.003 0.000 1.182 6078 P CA 1.467 64.530 63.100 -0.062 0.000 0.761 6078 P CB 0.474 32.014 31.700 -0.266 0.000 0.795 6079 G N 1.669 110.469 108.800 0.000 0.000 2.175 6079 G HA2 -0.213 3.744 3.960 -0.004 0.000 0.244 6079 G HA3 -0.213 3.744 3.960 -0.004 0.000 0.244 6079 G C 0.262 175.136 174.900 -0.043 0.000 0.982 6079 G CA 0.232 45.329 45.100 -0.005 0.000 0.641 6079 G HN 0.804 nan 8.290 nan 0.000 0.527 6080 S N -0.788 114.897 115.700 -0.025 0.000 2.617 6080 S HA 0.799 5.266 4.470 -0.004 0.000 0.283 6080 S C -0.050 174.502 174.600 -0.079 0.000 1.189 6080 S CA -0.406 57.776 58.200 -0.029 0.000 1.036 6080 S CB 2.822 66.044 63.200 0.037 0.000 1.014 6080 S HN 0.954 nan 8.310 nan 0.000 0.522 6081 V N 2.605 122.469 119.914 -0.083 0.000 2.483 6081 V HA 0.604 4.721 4.120 -0.004 0.000 0.295 6081 V C -0.164 175.887 176.094 -0.072 0.000 1.035 6081 V CA -0.744 61.489 62.300 -0.112 0.000 0.896 6081 V CB 1.293 33.044 31.823 -0.121 0.000 0.986 6081 V HN 0.950 nan 8.190 nan 0.000 0.447 6082 I N 2.573 123.095 120.570 -0.079 0.000 2.730 6082 I HA 0.533 4.701 4.170 -0.004 0.000 0.298 6082 I C -0.418 175.663 176.117 -0.060 0.000 1.089 6082 I CA -0.494 60.778 61.300 -0.047 0.000 1.041 6082 I CB 2.428 40.415 38.000 -0.022 0.000 1.235 6082 I HN 0.648 nan 8.210 nan 0.000 0.423 6083 E N 6.260 126.436 120.200 -0.040 0.000 2.167 6083 E HA 0.404 4.751 4.350 -0.004 0.000 0.284 6083 E C -0.839 175.737 176.600 -0.040 0.000 1.016 6083 E CA -0.514 55.861 56.400 -0.042 0.000 0.817 6083 E CB 1.900 31.583 29.700 -0.027 0.000 1.080 6083 E HN 0.458 nan 8.360 nan 0.000 0.397 6084 V N 0.720 120.601 119.914 -0.055 0.000 3.103 6084 V HA 0.603 4.720 4.120 -0.004 0.000 0.318 6084 V C -0.323 175.741 176.094 -0.050 0.000 1.114 6084 V CA -1.155 61.108 62.300 -0.062 0.000 1.020 6084 V CB 1.994 33.763 31.823 -0.090 0.000 1.085 6084 V HN 0.566 nan 8.190 nan 0.000 0.446 6085 R N 2.049 122.519 120.500 -0.050 0.000 2.310 6085 R HA 0.532 4.870 4.340 -0.004 0.000 0.324 6085 R C -2.788 173.486 176.300 -0.043 0.000 0.955 6085 R CA -1.932 54.147 56.100 -0.034 0.000 0.830 6085 R CB 2.053 32.343 30.300 -0.016 0.000 1.154 6085 R HN 0.594 nan 8.270 nan 0.000 0.458 6086 P HA 0.062 nan 4.420 nan 0.000 0.271 6086 P C 0.244 177.527 177.300 -0.027 0.000 1.216 6086 P CA 0.111 63.186 63.100 -0.041 0.000 0.771 6086 P CB 0.531 32.208 31.700 -0.038 0.000 0.864 6087 I N -0.104 120.450 120.570 -0.026 0.000 4.240 6087 I HA 0.585 4.752 4.170 -0.004 0.000 0.331 6087 I C 0.555 176.674 176.117 0.003 0.000 1.381 6087 I CA -0.120 61.173 61.300 -0.012 0.000 1.136 6087 I CB 0.620 38.611 38.000 -0.015 0.000 1.137 6087 I HN 0.389 nan 8.210 nan 0.000 0.411 6088 G N 1.382 110.187 108.800 0.008 0.000 2.340 6088 G HA2 0.537 4.494 3.960 -0.004 0.000 0.299 6088 G HA3 0.537 4.494 3.960 -0.004 0.000 0.299 6088 G C -2.179 172.722 174.900 0.002 0.000 1.291 6088 G CA -0.420 44.705 45.100 0.041 0.000 0.841 6088 G HN 0.168 nan 8.290 nan 0.000 0.500 6089 I N -0.837 119.727 120.570 -0.010 0.000 2.827 6089 I HA 0.728 4.895 4.170 -0.004 0.000 0.298 6089 I C -1.924 173.993 176.117 -0.333 0.000 1.235 6089 I CA -1.166 60.000 61.300 -0.222 0.000 1.021 6089 I CB 2.192 39.967 38.000 -0.375 0.000 1.259 6089 I HN 0.624 nan 8.210 nan 0.000 0.427 6090 L N 7.207 128.125 121.223 -0.509 0.000 2.325 6090 L HA 0.551 4.888 4.340 -0.004 0.000 0.281 6090 L C -1.680 174.805 176.870 -0.642 0.000 1.004 6090 L CA -0.139 54.295 54.840 -0.677 0.000 0.823 6090 L CB 1.235 42.839 42.059 -0.758 0.000 1.236 6090 L HN 0.417 nan 8.230 nan 0.000 0.415 6091 Y N 6.189 126.289 120.300 -0.333 0.000 2.320 6091 Y HA 0.714 5.260 4.550 -0.005 0.000 0.334 6091 Y C 0.486 176.230 175.900 -0.261 0.000 1.055 6091 Y CA -0.495 57.464 58.100 -0.235 0.000 1.143 6091 Y CB 1.414 39.784 38.460 -0.150 0.000 1.193 6091 Y HN 0.645 nan 8.280 nan 0.000 0.477 6092 M N 1.004 120.567 119.600 -0.062 0.000 2.721 6092 M HA 0.643 5.120 4.480 -0.004 0.000 0.271 6092 M C -2.107 174.147 176.300 -0.076 0.000 1.259 6092 M CA -1.034 54.198 55.300 -0.113 0.000 0.835 6092 M CB 2.910 35.373 32.600 -0.228 0.000 1.689 6092 M HN 0.370 nan 8.290 nan 0.000 0.470 6093 K N 1.760 122.115 120.400 -0.074 0.000 2.471 6093 K HA 0.492 4.810 4.320 -0.004 0.000 0.252 6093 K C -1.892 174.606 176.600 -0.169 0.000 0.938 6093 K CA -0.383 55.861 56.287 -0.070 0.000 0.796 6093 K CB 2.223 34.725 32.500 0.003 0.000 1.161 6093 K HN 0.891 nan 8.250 nan 0.000 0.425 6094 D N 0.624 120.850 120.400 -0.291 0.000 2.727 6094 D HA 0.041 4.679 4.640 -0.004 0.000 0.264 6094 D C 0.954 176.782 176.300 -0.785 0.000 1.101 6094 D CA -0.497 53.122 54.000 -0.635 0.000 1.122 6094 D CB 0.306 40.871 40.800 -0.390 0.000 1.390 6094 D HN 0.438 nan 8.370 nan 0.000 0.606 6095 E N 0.056 119.695 120.200 -0.936 0.000 2.267 6095 E HA -0.244 4.104 4.350 -0.004 0.000 0.197 6095 E C 0.655 177.164 176.600 -0.152 0.000 0.998 6095 E CA 1.288 57.443 56.400 -0.409 0.000 0.830 6095 E CB -0.246 29.339 29.700 -0.191 0.000 0.751 6095 E HN 0.589 nan 8.360 nan 0.000 0.491 6096 E N 0.802 120.900 120.200 -0.170 0.000 2.385 6096 E HA 0.182 4.529 4.350 -0.004 0.000 0.194 6096 E C 1.114 177.675 176.600 -0.065 0.000 1.013 6096 E CA 0.767 57.115 56.400 -0.088 0.000 0.866 6096 E CB 0.818 30.471 29.700 -0.078 0.000 0.832 6096 E HN 0.440 nan 8.360 nan 0.000 0.500 6097 G N 1.345 110.093 108.800 -0.086 0.000 2.225 6097 G HA2 -0.141 3.816 3.960 -0.004 0.000 0.203 6097 G HA3 -0.141 3.816 3.960 -0.004 0.000 0.203 6097 G C -1.183 173.683 174.900 -0.056 0.000 1.335 6097 G CA -0.720 44.350 45.100 -0.050 0.000 1.183 6097 G HN 0.085 nan 8.290 nan 0.000 0.488 6098 E N 0.146 120.326 120.200 -0.033 0.000 2.373 6098 E HA 0.531 4.878 4.350 -0.004 0.000 0.263 6098 E C -0.947 175.637 176.600 -0.027 0.000 1.073 6098 E CA 0.018 56.403 56.400 -0.026 0.000 0.894 6098 E CB 1.142 30.836 29.700 -0.011 0.000 1.008 6098 E HN 0.551 nan 8.360 nan 0.000 0.420 6099 D N 0.289 120.675 120.400 -0.023 0.000 2.663 6099 D HA 0.551 5.189 4.640 -0.004 0.000 0.233 6099 D C -2.015 174.261 176.300 -0.039 0.000 1.240 6099 D CA -0.359 53.621 54.000 -0.033 0.000 0.774 6099 D CB 1.626 42.389 40.800 -0.061 0.000 1.443 6099 D HN 0.402 nan 8.370 nan 0.000 0.441 6100 A N 2.157 124.939 122.820 -0.063 0.000 2.422 6100 A HA 0.781 5.098 4.320 -0.004 0.000 0.302 6100 A C -1.095 176.381 177.584 -0.180 0.000 1.041 6100 A CA -0.711 51.233 52.037 -0.156 0.000 0.708 6100 A CB 1.351 20.283 19.000 -0.113 0.000 1.257 6100 A HN 0.338 nan 8.150 nan 0.000 0.414 6101 K N 2.540 122.780 120.400 -0.267 0.000 2.471 6101 K HA 0.479 4.797 4.320 -0.004 0.000 0.252 6101 K C -0.756 175.711 176.600 -0.222 0.000 0.938 6101 K CA -0.720 55.444 56.287 -0.206 0.000 0.796 6101 K CB 1.892 34.272 32.500 -0.200 0.000 1.161 6101 K HN 0.577 nan 8.250 nan 0.000 0.425 6102 I N 2.745 123.214 120.570 -0.168 0.000 2.696 6102 I HA 0.085 4.253 4.170 -0.004 0.000 0.284 6102 I C 0.287 176.321 176.117 -0.138 0.000 1.129 6102 I CA -0.295 60.918 61.300 -0.144 0.000 1.410 6102 I CB 0.763 38.695 38.000 -0.113 0.000 1.399 6102 I HN 0.270 nan 8.210 nan 0.000 0.579 6103 V N 5.221 125.081 119.914 -0.089 0.000 2.448 6103 V HA 0.794 4.911 4.120 -0.004 0.000 0.295 6103 V C 0.219 176.269 176.094 -0.073 0.000 1.025 6103 V CA -0.449 61.810 62.300 -0.068 0.000 0.859 6103 V CB 1.446 33.302 31.823 0.055 0.000 0.988 6103 V HN 0.983 nan 8.190 nan 0.000 0.431 6104 A N 4.355 127.110 122.820 -0.108 0.000 2.566 6104 A HA 0.993 5.310 4.320 -0.004 0.000 0.292 6104 A C -0.858 176.627 177.584 -0.165 0.000 1.112 6104 A CA -0.528 51.442 52.037 -0.112 0.000 0.707 6104 A CB 2.233 21.168 19.000 -0.107 0.000 1.302 6104 A HN 1.330 nan 8.150 nan 0.000 0.409 6105 V N -2.666 117.144 119.914 -0.174 0.000 3.046 6105 V HA 0.809 4.927 4.120 -0.004 0.000 0.316 6105 V C -3.033 172.938 176.094 -0.206 0.000 1.104 6105 V CA -2.877 59.237 62.300 -0.309 0.000 1.006 6105 V CB 1.366 33.017 31.823 -0.286 0.000 1.058 6105 V HN 0.646 nan 8.190 nan 0.000 0.440 6106 P HA 0.194 nan 4.420 nan 0.000 0.269 6106 P C -0.752 176.552 177.300 0.008 0.000 1.209 6106 P CA -0.236 62.829 63.100 -0.058 0.000 0.776 6106 P CB 0.214 31.937 31.700 0.038 0.000 0.876 6107 K N 1.504 121.910 120.400 0.011 0.000 2.414 6107 K HA 0.007 4.324 4.320 -0.004 0.000 0.272 6107 K C 0.075 176.707 176.600 0.053 0.000 0.993 6107 K CA 0.302 56.602 56.287 0.022 0.000 0.964 6107 K CB -0.074 32.430 32.500 0.008 0.000 0.925 6107 K HN 0.230 nan 8.250 nan 0.000 0.487 6108 D N 2.032 122.463 120.400 0.053 0.000 2.157 6108 D HA -0.224 4.413 4.640 -0.004 0.000 0.191 6108 D C 1.117 177.450 176.300 0.054 0.000 1.004 6108 D CA 2.192 56.230 54.000 0.062 0.000 0.854 6108 D CB -0.003 40.824 40.800 0.044 0.000 0.936 6108 D HN 0.606 nan 8.370 nan 0.000 0.446 6109 K N -0.176 120.246 120.400 0.036 0.000 2.097 6109 K HA -0.039 4.279 4.320 -0.004 0.000 0.206 6109 K C 2.191 178.811 176.600 0.034 0.000 1.049 6109 K CA 1.256 57.560 56.287 0.028 0.000 0.933 6109 K CB -0.318 32.192 32.500 0.016 0.000 0.717 6109 K HN 0.059 nan 8.250 nan 0.000 0.442 6110 T N 0.215 114.795 114.554 0.043 0.000 2.788 6110 T HA -0.119 4.228 4.350 -0.004 0.000 0.268 6110 T C 0.357 175.106 174.700 0.081 0.000 1.044 6110 T CA 1.376 63.506 62.100 0.050 0.000 1.139 6110 T CB -0.065 68.834 68.868 0.052 0.000 0.867 6110 T HN 0.160 nan 8.240 nan 0.000 0.454 6111 D N -0.092 120.385 120.400 0.127 0.000 2.351 6111 D HA 0.181 4.818 4.640 -0.004 0.000 0.235 6111 D C -2.321 174.090 176.300 0.185 0.000 1.331 6111 D CA -1.690 52.424 54.000 0.190 0.000 0.959 6111 D CB 1.435 42.460 40.800 0.376 0.000 1.432 6111 D HN -0.015 nan 8.370 nan 0.000 0.544 6112 P HA -0.075 nan 4.420 nan 0.000 0.236 6112 P C 0.897 178.213 177.300 0.026 0.000 1.172 6112 P CA 0.475 63.612 63.100 0.062 0.000 0.759 6112 P CB 0.038 31.756 31.700 0.029 0.000 0.843 6113 S N -2.336 113.357 115.700 -0.011 0.000 2.593 6113 S HA 0.100 4.567 4.470 -0.004 0.000 0.217 6113 S C 0.914 175.297 174.600 -0.362 0.000 0.966 6113 S CA -0.102 57.985 58.200 -0.188 0.000 0.914 6113 S CB -0.963 62.075 63.200 -0.270 0.000 0.776 6113 S HN -0.009 nan 8.310 nan 0.000 0.523 6114 F N 1.061 121.030 119.950 0.032 0.000 2.683 6114 F HA 0.466 4.990 4.527 -0.006 0.000 0.306 6114 F C 1.933 177.739 175.800 0.010 0.000 1.102 6114 F CA -0.583 57.429 58.000 0.020 0.000 1.244 6114 F CB 0.186 39.200 39.000 0.024 0.000 1.029 6114 F HN 0.101 nan 8.300 nan 0.000 0.545 6115 S N 0.782 116.555 115.700 0.122 0.000 2.419 6115 S HA -0.163 4.304 4.470 -0.004 0.000 0.233 6115 S C 2.006 176.639 174.600 0.055 0.000 1.016 6115 S CA 1.486 59.734 58.200 0.079 0.000 0.974 6115 S CB -0.286 62.941 63.200 0.045 0.000 0.786 6115 S HN 0.548 nan 8.310 nan 0.000 0.492 6116 N N 1.306 120.030 118.700 0.041 0.000 2.463 6116 N HA -0.022 4.716 4.740 -0.004 0.000 0.181 6116 N C 0.126 175.658 175.510 0.036 0.000 1.078 6116 N CA 0.324 53.389 53.050 0.025 0.000 0.902 6116 N CB -0.248 38.240 38.487 0.002 0.000 0.970 6116 N HN 0.302 nan 8.380 nan 0.000 0.451 6117 I N 1.289 121.901 120.570 0.071 0.000 2.256 6117 I HA 0.175 4.342 4.170 -0.004 0.000 0.294 6117 I C 0.726 176.873 176.117 0.051 0.000 1.127 6117 I CA -0.017 61.326 61.300 0.071 0.000 1.247 6117 I CB 0.702 38.783 38.000 0.135 0.000 1.460 6117 I HN 0.052 nan 8.210 nan 0.000 0.511 6118 K N 2.612 123.027 120.400 0.026 0.000 2.354 6118 K HA 0.127 4.444 4.320 -0.004 0.000 0.194 6118 K C 0.004 176.607 176.600 0.007 0.000 1.045 6118 K CA 0.253 56.551 56.287 0.017 0.000 1.026 6118 K CB 0.693 33.201 32.500 0.014 0.000 0.866 6118 K HN 0.545 nan 8.250 nan 0.000 0.530 6119 D N -1.298 119.101 120.400 -0.001 0.000 2.583 6119 D HA 0.137 4.774 4.640 -0.004 0.000 0.248 6119 D C 0.279 176.560 176.300 -0.033 0.000 1.209 6119 D CA -0.576 53.418 54.000 -0.010 0.000 0.848 6119 D CB 1.344 42.140 40.800 -0.007 0.000 1.431 6119 D HN -0.252 nan 8.370 nan 0.000 0.436 6120 I N 1.632 122.176 120.570 -0.042 0.000 2.381 6120 I HA -0.195 3.973 4.170 -0.004 0.000 0.255 6120 I C 1.267 177.280 176.117 -0.173 0.000 1.140 6120 I CA 1.371 62.604 61.300 -0.110 0.000 1.404 6120 I CB -0.356 37.596 38.000 -0.079 0.000 1.075 6120 I HN 0.407 nan 8.210 nan 0.000 0.433 6121 N N 0.282 118.915 118.700 -0.112 0.000 2.521 6121 N HA -0.073 4.665 4.740 -0.004 0.000 0.188 6121 N C 0.928 176.388 175.510 -0.083 0.000 1.146 6121 N CA 0.552 53.536 53.050 -0.110 0.000 0.893 6121 N CB -0.184 38.264 38.487 -0.066 0.000 0.975 6121 N HN 0.416 nan 8.380 nan 0.000 0.451 6122 D N 0.126 120.487 120.400 -0.066 0.000 2.348 6122 D HA 0.086 4.724 4.640 -0.004 0.000 0.211 6122 D C 0.589 176.865 176.300 -0.040 0.000 0.998 6122 D CA 0.129 54.106 54.000 -0.038 0.000 0.873 6122 D CB 0.708 41.501 40.800 -0.012 0.000 0.925 6122 D HN 0.208 nan 8.370 nan 0.000 0.524 6123 L N 2.182 123.359 121.223 -0.077 0.000 2.349 6123 L HA 0.231 4.569 4.340 -0.004 0.000 0.275 6123 L C -2.011 174.811 176.870 -0.080 0.000 1.115 6123 L CA -1.709 53.087 54.840 -0.073 0.000 0.820 6123 L CB 0.583 42.568 42.059 -0.124 0.000 1.135 6123 L HN -0.273 nan 8.230 nan 0.000 0.445 6124 P HA -0.028 nan 4.420 nan 0.000 0.267 6124 P C 0.076 177.346 177.300 -0.049 0.000 1.200 6124 P CA -0.198 62.881 63.100 -0.035 0.000 0.772 6124 P CB 0.620 32.313 31.700 -0.011 0.000 0.855 6125 Q N 3.321 123.095 119.800 -0.043 0.000 2.096 6125 Q HA -0.209 4.128 4.340 -0.004 0.000 0.204 6125 Q C 2.004 178.003 176.000 -0.001 0.000 0.982 6125 Q CA 2.468 58.249 55.803 -0.036 0.000 0.850 6125 Q CB -1.261 27.467 28.738 -0.017 0.000 0.901 6125 Q HN 0.546 nan 8.270 nan 0.000 0.422 6126 A N -0.970 121.855 122.820 0.008 0.000 1.940 6126 A HA -0.209 4.109 4.320 -0.004 0.000 0.219 6126 A C 2.278 179.888 177.584 0.043 0.000 1.176 6126 A CA 2.102 54.154 52.037 0.025 0.000 0.631 6126 A CB -0.990 18.019 19.000 0.014 0.000 0.814 6126 A HN 0.492 nan 8.150 nan 0.000 0.446 6127 T N -0.189 114.384 114.554 0.033 0.000 2.821 6127 T HA -0.098 4.249 4.350 -0.004 0.000 0.267 6127 T C 1.918 176.682 174.700 0.108 0.000 1.046 6127 T CA 1.555 63.691 62.100 0.059 0.000 1.139 6127 T CB -0.146 68.746 68.868 0.039 0.000 0.871 6127 T HN 0.529 nan 8.240 nan 0.000 0.454 6128 K N 1.043 121.475 120.400 0.054 0.000 2.057 6128 K HA -0.041 4.276 4.320 -0.004 0.000 0.206 6128 K C 2.252 179.044 176.600 0.320 0.000 1.050 6128 K CA 1.098 57.456 56.287 0.119 0.000 0.935 6128 K CB -0.174 32.216 32.500 -0.184 0.000 0.715 6128 K HN 0.205 nan 8.250 nan 0.000 0.439 6129 N N 1.322 120.148 118.700 0.211 0.000 2.120 6129 N HA -0.170 4.567 4.740 -0.004 0.000 0.188 6129 N C 1.608 177.276 175.510 0.263 0.000 1.024 6129 N CA 1.052 54.242 53.050 0.235 0.000 0.852 6129 N CB -0.129 38.446 38.487 0.148 0.000 1.003 6129 N HN 0.195 nan 8.380 nan 0.000 0.424 6130 K N 0.916 121.437 120.400 0.201 0.000 2.026 6130 K HA -0.025 4.292 4.320 -0.004 0.000 0.208 6130 K C 2.062 178.841 176.600 0.299 0.000 1.048 6130 K CA 0.869 57.267 56.287 0.185 0.000 0.929 6130 K CB -0.150 32.411 32.500 0.102 0.000 0.713 6130 K HN 0.094 nan 8.250 nan 0.000 0.439 6131 I N 0.634 121.416 120.570 0.353 0.000 2.179 6131 I HA -0.288 3.880 4.170 -0.004 0.000 0.242 6131 I C 2.283 178.742 176.117 0.570 0.000 1.088 6131 I CA 0.957 62.545 61.300 0.481 0.000 1.357 6131 I CB -0.209 38.144 38.000 0.587 0.000 1.051 6131 I HN -0.018 nan 8.210 nan 0.000 0.409 6132 V N 0.501 120.726 119.914 0.519 0.000 2.295 6132 V HA -0.346 3.772 4.120 -0.004 0.000 0.246 6132 V C 2.562 178.893 176.094 0.396 0.000 1.049 6132 V CA 2.245 64.799 62.300 0.423 0.000 1.024 6132 V CB -1.000 31.043 31.823 0.366 0.000 0.648 6132 V HN 0.533 nan 8.190 nan 0.000 0.447 6133 H N -0.707 118.548 119.070 0.307 0.000 2.387 6133 H HA -0.230 4.325 4.556 -0.002 0.000 0.299 6133 H C 2.245 177.767 175.328 0.323 0.000 1.099 6133 H CA 2.348 58.588 56.048 0.321 0.000 1.315 6133 H CB -0.216 29.698 29.762 0.254 0.000 1.380 6133 H HN 0.442 nan 8.280 nan 0.000 0.513 6134 F N 0.810 120.915 119.950 0.259 0.000 2.046 6134 F HA -0.220 4.301 4.527 -0.010 0.000 0.297 6134 F C 2.110 177.867 175.800 -0.072 0.000 1.123 6134 F CA 1.620 59.620 58.000 -0.000 0.000 1.199 6134 F CB -1.062 37.770 39.000 -0.279 0.000 0.972 6134 F HN 0.021 nan 8.300 nan 0.000 0.474 6135 F N 1.161 121.064 119.950 -0.077 0.000 2.202 6135 F HA -0.153 4.371 4.527 -0.004 0.000 0.301 6135 F C 2.365 178.150 175.800 -0.025 0.000 1.082 6135 F CA 1.825 59.756 58.000 -0.115 0.000 1.313 6135 F CB -0.779 38.251 39.000 0.049 0.000 1.024 6135 F HN 0.134 nan 8.300 nan 0.000 0.495 6136 E N -1.679 118.553 120.200 0.054 0.000 2.481 6136 E HA -0.078 4.269 4.350 -0.004 0.000 0.195 6136 E C 1.038 177.304 176.600 -0.556 0.000 1.047 6136 E CA 0.524 56.793 56.400 -0.219 0.000 0.867 6136 E CB -0.022 29.506 29.700 -0.286 0.000 0.858 6136 E HN 0.561 nan 8.360 nan 0.000 0.513 6137 H N -1.833 117.144 119.070 -0.155 0.000 3.643 6137 H HA -0.005 4.558 4.556 0.012 0.000 0.256 6137 H C 1.430 176.656 175.328 -0.170 0.000 1.107 6137 H CA 0.165 56.100 56.048 -0.187 0.000 1.175 6137 H CB 0.267 29.859 29.762 -0.284 0.000 1.519 6137 H HN 0.248 nan 8.280 nan 0.000 0.565 6138 Y N 1.873 121.935 120.300 -0.397 0.000 2.421 6138 Y HA 0.089 4.635 4.550 -0.008 0.000 0.292 6138 Y C 1.428 177.142 175.900 -0.310 0.000 1.136 6138 Y CA 0.629 58.453 58.100 -0.459 0.000 1.255 6138 Y CB -0.131 37.720 38.460 -1.015 0.000 0.991 6138 Y HN -0.144 nan 8.280 nan 0.000 0.552 6139 K N 0.267 120.171 120.400 -0.826 0.000 2.355 6139 K HA 0.039 4.356 4.320 -0.004 0.000 0.198 6139 K C 1.467 177.861 176.600 -0.343 0.000 1.039 6139 K CA 0.285 56.148 56.287 -0.705 0.000 1.075 6139 K CB 0.214 32.225 32.500 -0.814 0.000 0.870 6139 K HN 0.353 nan 8.250 nan 0.000 0.540 6140 E N 1.437 121.507 120.200 -0.217 0.000 2.113 6140 E HA -0.222 4.125 4.350 -0.004 0.000 0.210 6140 E C 1.459 178.028 176.600 -0.051 0.000 1.040 6140 E CA 1.356 57.701 56.400 -0.093 0.000 0.847 6140 E CB -0.075 29.615 29.700 -0.016 0.000 0.755 6140 E HN 0.229 nan 8.360 nan 0.000 0.459 6141 L N 0.934 122.144 121.223 -0.022 0.000 2.633 6141 L HA -0.053 4.284 4.340 -0.004 0.000 0.235 6141 L C 0.334 177.265 176.870 0.101 0.000 1.163 6141 L CA 0.319 55.196 54.840 0.063 0.000 0.859 6141 L CB -0.289 41.853 42.059 0.138 0.000 0.973 6141 L HN 0.071 nan 8.230 nan 0.000 0.451 6142 E N 2.213 122.378 120.200 -0.058 0.000 2.194 6142 E HA 0.190 4.538 4.350 -0.004 0.000 0.284 6142 E C -2.138 174.439 176.600 -0.038 0.000 1.035 6142 E CA -2.256 54.082 56.400 -0.104 0.000 0.836 6142 E CB 0.536 30.019 29.700 -0.361 0.000 1.070 6142 E HN -0.032 nan 8.360 nan 0.000 0.401 6143 P HA -0.082 nan 4.420 nan 0.000 0.258 6143 P C 0.707 178.008 177.300 0.001 0.000 1.187 6143 P CA 0.725 63.835 63.100 0.017 0.000 0.767 6143 P CB 0.329 32.050 31.700 0.034 0.000 0.770 6144 G N 2.321 111.129 108.800 0.012 0.000 2.162 6144 G HA2 -0.223 3.734 3.960 -0.004 0.000 0.260 6144 G HA3 -0.223 3.734 3.960 -0.004 0.000 0.260 6144 G C 0.157 175.092 174.900 0.058 0.000 0.976 6144 G CA -0.053 45.068 45.100 0.034 0.000 0.655 6144 G HN 0.556 nan 8.290 nan 0.000 0.533 6145 K N -0.457 119.951 120.400 0.014 0.000 2.156 6145 K HA 0.724 5.041 4.320 -0.004 0.000 0.250 6145 K C -0.316 176.321 176.600 0.060 0.000 0.955 6145 K CA -0.547 55.717 56.287 -0.038 0.000 0.855 6145 K CB 2.026 34.429 32.500 -0.163 0.000 1.101 6145 K HN 0.748 nan 8.250 nan 0.000 0.434 6146 Y N -3.078 117.140 120.300 -0.136 0.000 2.687 6146 Y HA 0.513 5.060 4.550 -0.006 0.000 0.338 6146 Y C -1.858 173.976 175.900 -0.110 0.000 1.189 6146 Y CA -1.213 56.807 58.100 -0.134 0.000 1.097 6146 Y CB 0.829 39.226 38.460 -0.104 0.000 1.342 6146 Y HN 0.164 nan 8.280 nan 0.000 0.461 6147 V N 1.040 120.940 119.914 -0.023 0.000 2.808 6147 V HA 0.921 5.039 4.120 -0.004 0.000 0.308 6147 V C -0.914 175.204 176.094 0.041 0.000 1.099 6147 V CA -0.495 61.761 62.300 -0.072 0.000 0.920 6147 V CB 1.175 32.989 31.823 -0.015 0.000 1.014 6147 V HN 1.179 nan 8.190 nan 0.000 0.425 6148 K N 3.853 124.271 120.400 0.031 0.000 2.507 6148 K HA 0.774 5.092 4.320 -0.004 0.000 0.252 6148 K C -0.997 175.591 176.600 -0.020 0.000 0.943 6148 K CA -0.608 55.698 56.287 0.032 0.000 0.808 6148 K CB 1.603 34.155 32.500 0.086 0.000 1.142 6148 K HN 0.573 nan 8.250 nan 0.000 0.426 6149 I N 3.107 123.657 120.570 -0.034 0.000 2.452 6149 I HA 0.119 4.287 4.170 -0.004 0.000 0.287 6149 I C 1.206 177.289 176.117 -0.056 0.000 1.079 6149 I CA 0.141 61.388 61.300 -0.089 0.000 1.387 6149 I CB 0.591 38.529 38.000 -0.104 0.000 1.404 6149 I HN 0.785 nan 8.210 nan 0.000 0.522 6150 S N 4.378 120.043 115.700 -0.058 0.000 2.348 6150 S HA 0.272 4.739 4.470 -0.004 0.000 0.219 6150 S C 0.881 175.479 174.600 -0.002 0.000 1.033 6150 S CA 0.801 58.990 58.200 -0.018 0.000 0.974 6150 S CB 0.305 63.500 63.200 -0.009 0.000 0.868 6150 S HN 0.931 nan 8.310 nan 0.000 0.459 6151 G N -0.976 107.815 108.800 -0.015 0.000 2.321 6151 G HA2 0.416 4.374 3.960 -0.004 0.000 0.296 6151 G HA3 0.416 4.374 3.960 -0.004 0.000 0.296 6151 G C -2.199 172.694 174.900 -0.013 0.000 1.287 6151 G CA -1.100 44.020 45.100 0.032 0.000 0.846 6151 G HN 0.238 nan 8.290 nan 0.000 0.508 6152 W N -0.483 120.910 121.300 0.155 0.000 2.578 6152 W HA 0.704 5.358 4.660 -0.009 0.000 0.353 6152 W C 0.541 177.156 176.519 0.160 0.000 1.088 6152 W CA 0.102 57.508 57.345 0.101 0.000 1.235 6152 W CB 2.252 31.742 29.460 0.050 0.000 1.362 6152 W HN 0.834 nan 8.180 nan 0.000 0.592 6153 G N 0.288 109.288 108.800 0.334 0.000 2.533 6153 G HA2 0.526 4.484 3.960 -0.004 0.000 0.304 6153 G HA3 0.526 4.484 3.960 -0.004 0.000 0.304 6153 G C -0.709 174.290 174.900 0.165 0.000 1.263 6153 G CA -0.837 44.421 45.100 0.263 0.000 0.964 6153 G HN 0.501 nan 8.290 nan 0.000 0.479 6154 S N -0.238 115.537 115.700 0.125 0.000 2.655 6154 S HA 0.528 4.995 4.470 -0.004 0.000 0.265 6154 S C 1.857 176.486 174.600 0.049 0.000 1.240 6154 S CA 0.455 58.700 58.200 0.074 0.000 0.986 6154 S CB 1.349 64.585 63.200 0.060 0.000 0.985 6154 S HN 1.499 nan 8.310 nan 0.000 0.562 6155 A N 1.168 124.005 122.820 0.030 0.000 1.908 6155 A HA -0.023 4.294 4.320 -0.004 0.000 0.218 6155 A C 2.255 179.848 177.584 0.017 0.000 1.181 6155 A CA 2.213 54.260 52.037 0.016 0.000 0.627 6155 A CB -2.028 16.977 19.000 0.009 0.000 0.818 6155 A HN 0.918 nan 8.150 nan 0.000 0.445 6156 T N -0.517 114.051 114.554 0.023 0.000 2.720 6156 T HA -0.171 4.176 4.350 -0.004 0.000 0.268 6156 T C 1.816 176.534 174.700 0.030 0.000 1.037 6156 T CA 1.613 63.727 62.100 0.024 0.000 1.144 6156 T CB -0.233 68.650 68.868 0.026 0.000 0.864 6156 T HN 0.678 nan 8.240 nan 0.000 0.444 6157 E N 0.749 120.977 120.200 0.046 0.000 2.038 6157 E HA -0.130 4.218 4.350 -0.004 0.000 0.195 6157 E C 2.491 179.116 176.600 0.041 0.000 1.000 6157 E CA 1.052 57.492 56.400 0.066 0.000 0.803 6157 E CB -0.247 29.521 29.700 0.113 0.000 0.750 6157 E HN 0.472 nan 8.360 nan 0.000 0.448 6158 A N 0.889 123.718 122.820 0.014 0.000 1.883 6158 A HA -0.260 4.058 4.320 -0.004 0.000 0.217 6158 A C 2.036 179.613 177.584 -0.011 0.000 1.186 6158 A CA 1.981 54.007 52.037 -0.019 0.000 0.624 6158 A CB -0.437 18.544 19.000 -0.031 0.000 0.822 6158 A HN 0.076 nan 8.150 nan 0.000 0.444 6159 K N -0.200 120.199 120.400 -0.002 0.000 2.152 6159 K HA -0.136 4.181 4.320 -0.004 0.000 0.206 6159 K C 1.799 178.401 176.600 0.004 0.000 1.048 6159 K CA 1.725 58.011 56.287 -0.002 0.000 0.933 6159 K CB -0.280 32.221 32.500 0.002 0.000 0.721 6159 K HN 0.589 nan 8.250 nan 0.000 0.447 6160 N N -0.310 118.398 118.700 0.013 0.000 2.135 6160 N HA -0.103 4.634 4.740 -0.004 0.000 0.186 6160 N C 1.601 177.121 175.510 0.017 0.000 1.027 6160 N CA 0.924 53.984 53.050 0.018 0.000 0.849 6160 N CB -0.025 38.478 38.487 0.028 0.000 1.002 6160 N HN -0.012 nan 8.380 nan 0.000 0.425 6161 R N 0.889 121.401 120.500 0.018 0.000 2.103 6161 R HA 0.017 4.354 4.340 -0.004 0.000 0.242 6161 R C 1.772 178.073 176.300 0.003 0.000 1.142 6161 R CA 1.205 57.314 56.100 0.015 0.000 0.960 6161 R CB -0.568 29.734 30.300 0.003 0.000 0.858 6161 R HN 0.290 nan 8.270 nan 0.000 0.439 6162 I N 0.212 120.780 120.570 -0.005 0.000 2.252 6162 I HA -0.288 3.879 4.170 -0.004 0.000 0.245 6162 I C 2.330 178.446 176.117 -0.000 0.000 1.102 6162 I CA 1.098 62.394 61.300 -0.007 0.000 1.385 6162 I CB -0.320 37.672 38.000 -0.014 0.000 1.064 6162 I HN 0.284 nan 8.210 nan 0.000 0.414 6163 Q N 0.480 120.281 119.800 0.002 0.000 2.061 6163 Q HA -0.180 4.157 4.340 -0.004 0.000 0.204 6163 Q C 2.430 178.434 176.000 0.006 0.000 0.984 6163 Q CA 1.587 57.393 55.803 0.004 0.000 0.846 6163 Q CB -0.320 28.422 28.738 0.006 0.000 0.902 6163 Q HN 0.544 nan 8.270 nan 0.000 0.421 6164 L N -0.102 121.127 121.223 0.009 0.000 1.994 6164 L HA -0.171 4.166 4.340 -0.004 0.000 0.208 6164 L C 2.538 179.413 176.870 0.009 0.000 1.071 6164 L CA 1.183 56.029 54.840 0.010 0.000 0.745 6164 L CB -0.896 41.170 42.059 0.013 0.000 0.892 6164 L HN 0.142 nan 8.230 nan 0.000 0.431 6165 A N 0.221 123.047 122.820 0.009 0.000 1.986 6165 A HA -0.221 4.096 4.320 -0.004 0.000 0.220 6165 A C 2.200 179.790 177.584 0.011 0.000 1.171 6165 A CA 1.780 53.822 52.037 0.009 0.000 0.640 6165 A CB -0.672 18.333 19.000 0.008 0.000 0.811 6165 A HN 0.404 nan 8.150 nan 0.000 0.451 6166 I N -0.861 119.715 120.570 0.009 0.000 2.333 6166 I HA -0.179 3.988 4.170 -0.004 0.000 0.246 6166 I C 2.251 178.374 176.117 0.009 0.000 1.106 6166 I CA 1.012 62.318 61.300 0.010 0.000 1.411 6166 I CB -0.180 37.824 38.000 0.007 0.000 1.082 6166 I HN 0.199 nan 8.210 nan 0.000 0.420 6167 K N 0.823 121.228 120.400 0.008 0.000 2.097 6167 K HA -0.133 4.184 4.320 -0.004 0.000 0.206 6167 K C 2.115 178.719 176.600 0.007 0.000 1.049 6167 K CA 1.069 57.361 56.287 0.007 0.000 0.933 6167 K CB -0.386 32.118 32.500 0.006 0.000 0.717 6167 K HN 0.347 nan 8.250 nan 0.000 0.442 6168 R N 0.631 121.136 120.500 0.007 0.000 2.103 6168 R HA -0.119 4.218 4.340 -0.004 0.000 0.242 6168 R C 2.339 178.643 176.300 0.007 0.000 1.142 6168 R CA 1.406 57.510 56.100 0.007 0.000 0.960 6168 R CB -0.349 29.954 30.300 0.006 0.000 0.858 6168 R HN 0.010 nan 8.270 nan 0.000 0.439 6169 V N -0.137 119.783 119.914 0.009 0.000 2.379 6169 V HA -0.080 4.037 4.120 -0.004 0.000 0.243 6169 V C 1.426 177.526 176.094 0.011 0.000 1.035 6169 V CA 1.101 63.408 62.300 0.011 0.000 1.035 6169 V CB -0.178 31.654 31.823 0.016 0.000 0.673 6169 V HN 0.225 nan 8.190 nan 0.000 0.457 6170 S N 0.734 116.440 115.700 0.010 0.000 3.772 6170 S HA 0.372 4.839 4.470 -0.004 0.000 0.191 6170 S C 0.241 174.845 174.600 0.007 0.000 1.060 6170 S CA 0.546 58.752 58.200 0.009 0.000 1.051 6170 S CB -1.414 61.790 63.200 0.007 0.000 1.578 6170 S HN 0.763 nan 8.310 nan 0.000 0.481 6171 G N 0.000 108.804 108.800 0.007 0.000 5.446 6171 G HA2 0.000 3.957 3.960 -0.004 0.000 0.244 6171 G HA3 0.000 3.957 3.960 -0.004 0.000 0.244 6171 G CA 0.000 nan 45.100 nan 0.000 0.502 6171 G HN 0.000 nan 8.290 nan 0.000 0.925