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 2r7z_1_G DATA FIRST_RESID 1 DATA SEQUENCE MFFIKDLSLN ITLHPSFFGP RMKQYLKTKL LEEVEGSCTG KFGYILCVLD DATA SEQUENCE YDNIDIQRGR ILPTDGSAEF NVKYRAVVFK PFKGEVVDGT VVSCSQHGFE DATA SEQUENCE VQVGPMKVFV TKHLMPQDLT FNAGSNPPSY QSSEDVITIK SRIRVKIEGC DATA SEQUENCE ISQVSSIHAI GSIKEDYLGA I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.429 176.300 0.215 0.000 1.140 1 M CA 0.000 55.371 55.300 0.118 0.000 0.988 1 M CB 0.000 32.786 32.600 0.310 0.000 1.302 2 F N 1.624 121.509 119.950 -0.108 0.000 2.410 2 F HA 0.575 5.102 4.527 -0.000 0.000 0.334 2 F C 0.094 175.790 175.800 -0.173 0.000 1.134 2 F CA 0.248 58.297 58.000 0.080 0.000 1.227 2 F CB 0.298 39.304 39.000 0.010 0.000 1.194 2 F HN -0.033 nan 8.300 nan 0.000 0.571 3 F N 1.257 121.371 119.950 0.275 0.000 2.640 3 F HA 0.591 5.118 4.527 -0.000 0.000 0.324 3 F C -0.337 175.544 175.800 0.135 0.000 1.077 3 F CA -0.968 57.139 58.000 0.180 0.000 0.965 3 F CB 1.403 40.492 39.000 0.147 0.000 1.351 3 F HN 0.040 nan 8.300 nan 0.000 0.487 4 I N 2.080 122.836 120.570 0.311 0.000 2.782 4 I HA 0.229 4.399 4.170 -0.000 0.000 0.279 4 I C -0.697 175.501 176.117 0.135 0.000 1.247 4 I CA -0.546 60.855 61.300 0.169 0.000 1.062 4 I CB 0.932 39.001 38.000 0.115 0.000 1.421 4 I HN 0.329 nan 8.210 nan 0.000 0.558 5 K N 2.904 123.374 120.400 0.116 0.000 2.118 5 K HA 0.273 4.593 4.320 -0.000 0.000 0.264 5 K C -0.422 176.169 176.600 -0.016 0.000 1.000 5 K CA -0.198 56.134 56.287 0.075 0.000 0.929 5 K CB 0.767 33.331 32.500 0.106 0.000 1.021 5 K HN 0.196 nan 8.250 nan 0.000 0.463 6 D N 3.989 124.389 120.400 -0.000 0.000 2.313 6 D HA 0.244 4.884 4.640 -0.000 0.000 0.239 6 D C -0.298 175.979 176.300 -0.039 0.000 1.142 6 D CA -0.053 53.922 54.000 -0.042 0.000 0.847 6 D CB 0.528 41.333 40.800 0.008 0.000 1.082 6 D HN 0.338 nan 8.370 nan 0.000 0.480 7 L N 0.725 121.853 121.223 -0.158 0.000 2.256 7 L HA 0.620 4.960 4.340 -0.000 0.000 0.261 7 L C 0.243 177.277 176.870 0.274 0.000 1.022 7 L CA -0.937 53.890 54.840 -0.022 0.000 0.828 7 L CB 1.793 43.765 42.059 -0.145 0.000 1.374 7 L HN 0.271 nan 8.230 nan 0.000 0.436 8 S N 0.403 116.286 115.700 0.304 0.000 2.541 8 S HA 0.813 5.283 4.470 -0.000 0.000 0.271 8 S C -1.295 173.333 174.600 0.047 0.000 1.133 8 S CA -0.704 57.615 58.200 0.199 0.000 0.876 8 S CB 2.307 65.567 63.200 0.100 0.000 1.105 8 S HN 0.534 nan 8.310 nan 0.000 0.470 9 L N 1.372 122.529 121.223 -0.109 0.000 2.333 9 L HA 0.796 5.136 4.340 -0.000 0.000 0.263 9 L C -1.567 175.255 176.870 -0.080 0.000 1.014 9 L CA -0.494 54.258 54.840 -0.147 0.000 0.820 9 L CB 2.180 44.055 42.059 -0.308 0.000 1.352 9 L HN 0.825 nan 8.230 nan 0.000 0.421 10 N N 2.587 121.259 118.700 -0.047 0.000 2.407 10 N HA 0.627 5.367 4.740 -0.000 0.000 0.277 10 N C -1.426 174.095 175.510 0.019 0.000 0.995 10 N CA -0.109 52.942 53.050 0.001 0.000 0.903 10 N CB 1.266 39.757 38.487 0.007 0.000 1.218 10 N HN 0.496 nan 8.380 nan 0.000 0.487 11 I N 0.836 121.448 120.570 0.071 0.000 2.433 11 I HA 0.361 4.530 4.170 -0.000 0.000 0.292 11 I C -0.081 176.137 176.117 0.169 0.000 1.001 11 I CA -0.724 60.637 61.300 0.102 0.000 1.119 11 I CB 2.046 40.106 38.000 0.100 0.000 1.289 11 I HN 0.178 nan 8.210 nan 0.000 0.438 12 T N 6.836 121.473 114.554 0.138 0.000 2.743 12 T HA 0.427 4.777 4.350 -0.000 0.000 0.292 12 T C -0.325 174.486 174.700 0.184 0.000 0.972 12 T CA -0.344 61.839 62.100 0.139 0.000 0.967 12 T CB 0.845 69.762 68.868 0.081 0.000 0.926 12 T HN 0.325 nan 8.240 nan 0.000 0.459 13 L N 3.905 125.282 121.223 0.258 0.000 2.295 13 L HA 0.461 4.801 4.340 -0.000 0.000 0.285 13 L C 0.003 177.042 176.870 0.282 0.000 1.035 13 L CA -0.948 54.054 54.840 0.271 0.000 0.806 13 L CB 1.096 43.359 42.059 0.340 0.000 1.214 13 L HN 0.725 nan 8.230 nan 0.000 0.426 14 H N 6.354 125.390 119.070 -0.056 0.000 2.652 14 H HA 0.206 4.762 4.556 -0.000 0.000 0.349 14 H C -2.000 173.234 175.328 -0.157 0.000 1.099 14 H CA -1.337 54.596 56.048 -0.193 0.000 1.417 14 H CB 1.291 30.786 29.762 -0.446 0.000 1.457 14 H HN 0.362 nan 8.280 nan 0.000 0.568 15 P HA -0.293 nan 4.420 nan 0.000 0.218 15 P C 1.709 178.517 177.300 -0.819 0.000 1.152 15 P CA 2.078 64.251 63.100 -1.544 0.000 0.857 15 P CB 0.082 31.052 31.700 -1.217 0.000 0.787 16 S N -0.878 114.254 115.700 -0.946 0.000 2.401 16 S HA -0.227 4.243 4.470 -0.000 0.000 0.236 16 S C 1.410 176.075 174.600 0.109 0.000 1.058 16 S CA 1.532 59.555 58.200 -0.295 0.000 1.151 16 S CB -1.264 61.868 63.200 -0.113 0.000 1.049 16 S HN 0.165 nan 8.310 nan 0.000 0.432 17 F N 0.299 120.250 119.950 0.002 0.000 2.733 17 F HA 0.156 4.683 4.527 -0.000 0.000 0.301 17 F C 0.313 176.200 175.800 0.146 0.000 1.240 17 F CA -0.620 57.372 58.000 -0.013 0.000 1.432 17 F CB -0.327 38.504 39.000 -0.281 0.000 1.089 17 F HN 0.147 nan 8.300 nan 0.000 0.533 18 F N 1.362 121.339 119.950 0.044 0.000 2.740 18 F HA 0.195 4.722 4.527 -0.000 0.000 0.294 18 F C 1.587 177.410 175.800 0.037 0.000 1.225 18 F CA -0.952 57.069 58.000 0.035 0.000 1.426 18 F CB -1.190 37.804 39.000 -0.010 0.000 1.021 18 F HN -0.105 nan 8.300 nan 0.000 0.508 19 G N 1.394 110.305 108.800 0.185 0.000 2.481 19 G HA2 0.089 4.049 3.960 -0.000 0.000 0.251 19 G HA3 0.089 4.049 3.960 -0.000 0.000 0.251 19 G C -0.859 174.080 174.900 0.065 0.000 1.492 19 G CA -0.162 45.003 45.100 0.109 0.000 1.060 19 G HN 0.183 nan 8.290 nan 0.000 0.553 20 P HA 0.138 nan 4.420 nan 0.000 0.218 20 P C 0.576 177.886 177.300 0.017 0.000 1.151 20 P CA 0.338 63.455 63.100 0.028 0.000 0.850 20 P CB 0.613 32.328 31.700 0.026 0.000 0.801 21 R N 0.459 120.971 120.500 0.019 0.000 2.666 21 R HA 0.354 4.694 4.340 -0.000 0.000 0.275 21 R C 0.767 177.079 176.300 0.019 0.000 1.266 21 R CA -0.229 55.880 56.100 0.015 0.000 1.401 21 R CB 0.044 30.355 30.300 0.017 0.000 1.145 21 R HN 0.269 nan 8.270 nan 0.000 0.581 22 M N 1.068 120.664 119.600 -0.007 0.000 2.718 22 M HA 0.022 4.502 4.480 -0.000 0.000 0.259 22 M C 1.748 178.008 176.300 -0.067 0.000 1.240 22 M CA 0.943 56.225 55.300 -0.029 0.000 1.210 22 M CB 0.146 32.688 32.600 -0.097 0.000 1.281 22 M HN 0.289 nan 8.290 nan 0.000 0.515 23 K N 0.377 120.718 120.400 -0.099 0.000 2.144 23 K HA -0.324 3.996 4.320 -0.000 0.000 0.209 23 K C 1.901 178.459 176.600 -0.070 0.000 1.047 23 K CA 2.358 58.573 56.287 -0.120 0.000 0.927 23 K CB -0.095 32.360 32.500 -0.075 0.000 0.716 23 K HN 0.311 nan 8.250 nan 0.000 0.454 24 Q N -0.222 119.572 119.800 -0.011 0.000 1.967 24 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 24 Q C 1.901 177.916 176.000 0.024 0.000 0.985 24 Q CA 2.182 58.001 55.803 0.027 0.000 0.839 24 Q CB -0.647 28.112 28.738 0.036 0.000 0.906 24 Q HN 0.502 nan 8.270 nan 0.000 0.423 25 Y N -0.022 120.232 120.300 -0.076 0.000 2.224 25 Y HA -0.209 4.341 4.550 -0.000 0.000 0.289 25 Y C 1.757 177.613 175.900 -0.073 0.000 1.146 25 Y CA 1.406 59.456 58.100 -0.082 0.000 1.182 25 Y CB -0.008 38.388 38.460 -0.107 0.000 0.983 25 Y HN 0.158 nan 8.280 nan 0.000 0.524 26 L N 0.133 121.411 121.223 0.091 0.000 1.932 26 L HA -0.322 4.018 4.340 -0.000 0.000 0.217 26 L C 2.472 179.265 176.870 -0.129 0.000 1.077 26 L CA 2.095 56.908 54.840 -0.046 0.000 0.765 26 L CB -0.726 41.181 42.059 -0.254 0.000 0.888 26 L HN 0.196 nan 8.230 nan 0.000 0.433 27 K N -0.624 119.679 120.400 -0.162 0.000 2.032 27 K HA -0.253 4.067 4.320 -0.000 0.000 0.218 27 K C 1.899 178.404 176.600 -0.158 0.000 1.054 27 K CA 2.458 58.619 56.287 -0.210 0.000 0.941 27 K CB -0.649 31.697 32.500 -0.257 0.000 0.720 27 K HN 0.378 nan 8.250 nan 0.000 0.449 28 T N 1.096 115.579 114.554 -0.119 0.000 2.653 28 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 28 T C 1.850 176.416 174.700 -0.224 0.000 1.035 28 T CA 1.755 63.767 62.100 -0.147 0.000 1.154 28 T CB -0.147 68.578 68.868 -0.240 0.000 0.862 28 T HN 0.294 nan 8.240 nan 0.000 0.441 29 K N 0.257 120.469 120.400 -0.314 0.000 2.155 29 K HA 0.009 4.329 4.320 -0.000 0.000 0.203 29 K C 2.218 178.735 176.600 -0.139 0.000 1.052 29 K CA 0.491 56.634 56.287 -0.240 0.000 0.948 29 K CB -0.243 32.159 32.500 -0.164 0.000 0.728 29 K HN 0.172 nan 8.250 nan 0.000 0.448 30 L N 1.675 122.805 121.223 -0.155 0.000 1.971 30 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 30 L C 1.824 178.602 176.870 -0.153 0.000 1.072 30 L CA 1.772 56.497 54.840 -0.191 0.000 0.758 30 L CB -0.589 41.315 42.059 -0.259 0.000 0.889 30 L HN 0.187 nan 8.230 nan 0.000 0.433 31 L N -0.593 120.563 121.223 -0.111 0.000 2.043 31 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 31 L C 2.523 179.368 176.870 -0.041 0.000 1.075 31 L CA 1.947 56.760 54.840 -0.044 0.000 0.752 31 L CB -0.932 41.129 42.059 0.003 0.000 0.891 31 L HN 0.430 nan 8.230 nan 0.000 0.432 32 E N -0.101 120.060 120.200 -0.065 0.000 2.268 32 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 32 E C 1.224 177.799 176.600 -0.043 0.000 0.995 32 E CA 0.772 57.141 56.400 -0.052 0.000 0.836 32 E CB 0.055 29.715 29.700 -0.067 0.000 0.763 32 E HN 0.508 nan 8.360 nan 0.000 0.491 33 E N -0.273 119.893 120.200 -0.057 0.000 2.496 33 E HA 0.071 4.421 4.350 -0.000 0.000 0.200 33 E C 0.346 176.909 176.600 -0.061 0.000 1.016 33 E CA -0.234 56.133 56.400 -0.054 0.000 0.962 33 E CB 0.944 30.612 29.700 -0.054 0.000 1.071 33 E HN -0.015 nan 8.360 nan 0.000 0.457 34 V N -0.441 119.447 119.914 -0.042 0.000 3.629 34 V HA -0.013 4.107 4.120 -0.000 0.000 0.194 34 V C 0.132 176.239 176.094 0.022 0.000 1.343 34 V CA -0.242 62.055 62.300 -0.005 0.000 1.292 34 V CB 0.361 32.203 31.823 0.033 0.000 1.287 34 V HN 0.098 nan 8.190 nan 0.000 0.554 35 E N 2.100 122.322 120.200 0.036 0.000 2.311 35 E HA 0.311 4.661 4.350 -0.000 0.000 0.247 35 E C 0.924 177.535 176.600 0.018 0.000 1.215 35 E CA 0.990 57.416 56.400 0.044 0.000 0.957 35 E CB -0.334 29.397 29.700 0.052 0.000 1.020 35 E HN 0.765 nan 8.360 nan 0.000 0.461 36 G N 2.576 111.379 108.800 0.005 0.000 2.183 36 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.168 36 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.168 36 G C 0.308 175.154 174.900 -0.091 0.000 1.008 36 G CA 0.034 45.117 45.100 -0.028 0.000 0.677 36 G HN 0.571 nan 8.290 nan 0.000 0.498 37 S N -1.273 114.374 115.700 -0.088 0.000 2.672 37 S HA 0.758 5.228 4.470 -0.000 0.000 0.276 37 S C -0.002 174.474 174.600 -0.207 0.000 1.207 37 S CA -0.216 57.912 58.200 -0.120 0.000 1.002 37 S CB 2.475 65.631 63.200 -0.073 0.000 0.998 37 S HN 1.446 nan 8.310 nan 0.000 0.542 38 C N 2.002 121.173 119.300 -0.214 0.000 2.642 38 C HA 0.769 5.229 4.460 -0.000 0.000 0.344 38 C C -0.649 174.268 174.990 -0.122 0.000 1.110 38 C CA -0.057 58.794 59.018 -0.278 0.000 1.298 38 C CB 0.499 27.918 27.740 -0.535 0.000 1.827 38 C HN 1.082 nan 8.230 nan 0.000 0.467 39 T N 3.276 117.810 114.554 -0.034 0.000 2.906 39 T HA 0.480 4.830 4.350 -0.000 0.000 0.295 39 T C 1.034 175.739 174.700 0.009 0.000 1.061 39 T CA 0.089 62.212 62.100 0.038 0.000 1.000 39 T CB 1.797 70.784 68.868 0.200 0.000 1.103 39 T HN 0.855 nan 8.240 nan 0.000 0.486 40 G N 0.328 109.117 108.800 -0.019 0.000 2.464 40 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.217 40 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.217 40 G C 1.201 176.017 174.900 -0.141 0.000 1.138 40 G CA 0.259 45.309 45.100 -0.083 0.000 0.793 40 G HN 0.595 nan 8.290 nan 0.000 0.539 41 K N -0.802 119.536 120.400 -0.103 0.000 2.432 41 K HA 0.135 4.455 4.320 -0.000 0.000 0.196 41 K C 0.656 176.824 176.600 -0.720 0.000 1.038 41 K CA 0.489 56.569 56.287 -0.345 0.000 0.986 41 K CB 0.036 32.376 32.500 -0.267 0.000 0.782 41 K HN 0.455 nan 8.250 nan 0.000 0.485 42 F N -1.165 118.718 119.950 -0.111 0.000 2.925 42 F HA 0.191 4.718 4.527 -0.000 0.000 0.355 42 F C 1.117 176.846 175.800 -0.118 0.000 1.073 42 F CA 0.100 58.034 58.000 -0.110 0.000 1.127 42 F CB 0.800 39.761 39.000 -0.065 0.000 1.123 42 F HN 0.062 nan 8.300 nan 0.000 0.551 43 G N 0.621 109.426 108.800 0.007 0.000 2.547 43 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.271 43 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.271 43 G C -0.882 174.086 174.900 0.114 0.000 1.209 43 G CA -0.362 44.728 45.100 -0.016 0.000 0.959 43 G HN 0.062 nan 8.290 nan 0.000 0.563 44 Y N 0.446 120.626 120.300 -0.200 0.000 2.404 44 Y HA 0.512 5.062 4.550 -0.000 0.000 0.344 44 Y C 1.052 176.948 175.900 -0.007 0.000 0.995 44 Y CA -1.070 56.977 58.100 -0.089 0.000 1.201 44 Y CB 0.961 39.381 38.460 -0.067 0.000 1.151 44 Y HN 0.337 nan 8.280 nan 0.000 0.517 45 I N 6.366 126.994 120.570 0.096 0.000 2.294 45 I HA 0.025 4.195 4.170 -0.000 0.000 0.295 45 I C 0.691 176.870 176.117 0.104 0.000 1.098 45 I CA 0.529 61.879 61.300 0.083 0.000 1.277 45 I CB 0.367 38.394 38.000 0.044 0.000 1.434 45 I HN 0.785 nan 8.210 nan 0.000 0.498 46 L N 5.817 127.119 121.223 0.132 0.000 2.269 46 L HA 0.170 4.510 4.340 -0.000 0.000 0.200 46 L C 0.766 177.706 176.870 0.118 0.000 1.069 46 L CA 0.693 55.618 54.840 0.141 0.000 0.804 46 L CB 0.167 42.327 42.059 0.168 0.000 0.987 46 L HN 0.553 nan 8.230 nan 0.000 0.468 47 C N 0.101 119.469 119.300 0.113 0.000 2.880 47 C HA 0.566 5.026 4.460 -0.000 0.000 0.320 47 C C -0.441 174.609 174.990 0.100 0.000 1.176 47 C CA -0.866 58.216 59.018 0.107 0.000 1.390 47 C CB 1.389 29.192 27.740 0.106 0.000 1.846 47 C HN 0.021 nan 8.230 nan 0.000 0.478 48 V N 7.259 127.246 119.914 0.121 0.000 2.389 48 V HA 0.274 4.394 4.120 -0.000 0.000 0.264 48 V C 0.566 176.728 176.094 0.113 0.000 1.049 48 V CA -0.075 62.304 62.300 0.132 0.000 0.932 48 V CB 0.246 32.181 31.823 0.187 0.000 1.011 48 V HN 0.739 nan 8.190 nan 0.000 0.475 49 L N 2.819 124.086 121.223 0.073 0.000 2.475 49 L HA 0.355 4.695 4.340 -0.000 0.000 0.253 49 L C 1.225 178.144 176.870 0.082 0.000 1.198 49 L CA -0.428 54.456 54.840 0.073 0.000 0.814 49 L CB -0.002 42.085 42.059 0.047 0.000 1.134 49 L HN 0.659 nan 8.230 nan 0.000 0.478 50 D N -0.002 120.450 120.400 0.086 0.000 2.706 50 D HA -0.302 4.338 4.640 -0.000 0.000 0.230 50 D C 0.990 177.360 176.300 0.115 0.000 1.184 50 D CA 0.790 54.843 54.000 0.089 0.000 0.628 50 D CB -0.332 40.501 40.800 0.056 0.000 1.019 50 D HN 0.695 nan 8.370 nan 0.000 0.415 51 Y N 0.304 120.624 120.300 0.033 0.000 2.133 51 Y HA -0.344 4.206 4.550 -0.000 0.000 0.279 51 Y C 1.994 177.904 175.900 0.018 0.000 1.209 51 Y CA 2.570 60.687 58.100 0.028 0.000 1.152 51 Y CB -0.041 38.429 38.460 0.016 0.000 0.961 51 Y HN 0.197 nan 8.280 nan 0.000 0.512 52 D N 0.110 120.710 120.400 0.333 0.000 2.097 52 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 52 D C 0.471 176.808 176.300 0.063 0.000 0.989 52 D CA 1.391 55.534 54.000 0.238 0.000 0.827 52 D CB -0.377 40.531 40.800 0.181 0.000 0.966 52 D HN 0.586 nan 8.370 nan 0.000 0.456 53 N N 0.390 119.112 118.700 0.036 0.000 2.597 53 N HA 0.142 4.882 4.740 -0.000 0.000 0.269 53 N C -0.316 175.184 175.510 -0.016 0.000 1.204 53 N CA -0.343 52.713 53.050 0.010 0.000 0.947 53 N CB 0.592 39.093 38.487 0.023 0.000 1.258 53 N HN 0.191 nan 8.380 nan 0.000 0.508 54 I N 0.359 120.888 120.570 -0.068 0.000 2.533 54 I HA -0.022 4.148 4.170 -0.000 0.000 0.284 54 I C 0.644 176.729 176.117 -0.053 0.000 1.109 54 I CA 0.036 61.292 61.300 -0.073 0.000 1.412 54 I CB 0.311 38.208 38.000 -0.171 0.000 1.396 54 I HN 0.064 nan 8.210 nan 0.000 0.543 55 D N 6.639 127.030 120.400 -0.015 0.000 2.348 55 D HA 0.235 4.875 4.640 -0.000 0.000 0.253 55 D C 0.684 176.975 176.300 -0.014 0.000 1.161 55 D CA 0.138 54.135 54.000 -0.005 0.000 0.876 55 D CB 1.282 42.094 40.800 0.020 0.000 1.160 55 D HN 0.410 nan 8.370 nan 0.000 0.459 56 I N 1.735 122.296 120.570 -0.014 0.000 4.032 56 I HA -0.002 4.168 4.170 -0.000 0.000 0.313 56 I C 0.855 177.027 176.117 0.093 0.000 1.272 56 I CA -0.181 61.117 61.300 -0.004 0.000 1.307 56 I CB -0.018 37.928 38.000 -0.090 0.000 1.155 56 I HN 0.407 nan 8.210 nan 0.000 0.431 57 Q N 1.005 120.846 119.800 0.070 0.000 0.431 57 Q HA -0.177 4.163 4.340 -0.000 0.000 0.333 57 Q C -0.162 175.921 176.000 0.139 0.000 1.085 57 Q CA 0.629 56.480 55.803 0.081 0.000 0.268 57 Q CB -0.468 28.312 28.738 0.071 0.000 5.583 57 Q HN 0.361 nan 8.270 nan 0.000 0.319 58 R N -0.035 120.520 120.500 0.090 0.000 2.340 58 R HA 0.454 4.794 4.340 -0.000 0.000 0.300 58 R C 0.211 176.502 176.300 -0.015 0.000 1.069 58 R CA 0.482 56.628 56.100 0.076 0.000 0.984 58 R CB 0.915 31.224 30.300 0.015 0.000 1.003 58 R HN 0.517 nan 8.270 nan 0.000 0.459 59 G N 2.053 110.721 108.800 -0.219 0.000 2.400 59 G HA2 0.349 4.309 3.960 -0.000 0.000 0.301 59 G HA3 0.349 4.309 3.960 -0.000 0.000 0.301 59 G C -0.677 173.862 174.900 -0.602 0.000 1.154 59 G CA -0.747 43.756 45.100 -0.995 0.000 0.852 59 G HN 0.628 nan 8.290 nan 0.000 0.511 60 R N 1.042 121.282 120.500 -0.433 0.000 2.598 60 R HA 0.616 4.956 4.340 -0.000 0.000 0.279 60 R C -0.522 175.660 176.300 -0.197 0.000 0.984 60 R CA -0.884 55.077 56.100 -0.231 0.000 0.999 60 R CB 1.324 31.541 30.300 -0.137 0.000 1.114 60 R HN 0.347 nan 8.270 nan 0.000 0.493 61 I N 3.711 124.227 120.570 -0.090 0.000 2.441 61 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 61 I C 0.896 176.994 176.117 -0.032 0.000 1.049 61 I CA -0.574 60.713 61.300 -0.022 0.000 1.381 61 I CB 0.735 38.746 38.000 0.018 0.000 1.409 61 I HN 0.494 nan 8.210 nan 0.000 0.523 62 L N 7.568 128.778 121.223 -0.021 0.000 2.341 62 L HA 0.138 4.478 4.340 -0.000 0.000 0.185 62 L C -1.601 175.257 176.870 -0.021 0.000 1.091 62 L CA -0.445 54.382 54.840 -0.022 0.000 0.899 62 L CB -0.083 41.970 42.059 -0.010 0.000 1.357 62 L HN 0.553 nan 8.230 nan 0.000 0.535 63 P HA 0.234 nan 4.420 nan 0.000 0.384 63 P C -0.268 177.019 177.300 -0.021 0.000 1.578 63 P CA -0.071 63.017 63.100 -0.021 0.000 1.597 63 P CB 1.415 33.103 31.700 -0.019 0.000 1.913 64 T N -1.316 113.225 114.554 -0.021 0.000 3.074 64 T HA 0.128 4.478 4.350 -0.000 0.000 0.258 64 T C -0.338 174.347 174.700 -0.025 0.000 0.891 64 T CA 0.206 62.294 62.100 -0.021 0.000 0.867 64 T CB 0.638 69.496 68.868 -0.018 0.000 1.261 64 T HN 0.228 nan 8.240 nan 0.000 0.537 65 D N -0.026 120.359 120.400 -0.026 0.000 2.819 65 D HA 0.368 5.008 4.640 -0.000 0.000 0.232 65 D C 1.082 177.353 176.300 -0.048 0.000 1.160 65 D CA -0.589 53.394 54.000 -0.029 0.000 0.858 65 D CB 1.488 42.283 40.800 -0.008 0.000 1.610 65 D HN 0.080 nan 8.370 nan 0.000 0.481 66 G N 1.057 109.795 108.800 -0.103 0.000 2.516 66 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.221 66 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.221 66 G C 0.604 175.424 174.900 -0.134 0.000 1.107 66 G CA 0.353 45.347 45.100 -0.177 0.000 0.747 66 G HN 0.530 nan 8.290 nan 0.000 0.567 67 S N 0.166 115.835 115.700 -0.053 0.000 2.711 67 S HA 0.311 4.781 4.470 -0.000 0.000 0.320 67 S C 0.486 175.179 174.600 0.155 0.000 1.240 67 S CA 0.346 58.595 58.200 0.082 0.000 1.034 67 S CB 0.665 63.914 63.200 0.081 0.000 0.741 67 S HN 0.746 nan 8.310 nan 0.000 0.496 68 A N 2.412 125.411 122.820 0.299 0.000 2.355 68 A HA 0.676 4.996 4.320 -0.000 0.000 0.324 68 A C -0.246 177.279 177.584 -0.098 0.000 1.117 68 A CA -0.713 51.352 52.037 0.048 0.000 0.785 68 A CB 1.083 20.061 19.000 -0.036 0.000 1.254 68 A HN 0.789 nan 8.150 nan 0.000 0.453 69 E N 1.475 121.504 120.200 -0.285 0.000 2.191 69 E HA 0.574 4.924 4.350 -0.000 0.000 0.263 69 E C -1.797 174.611 176.600 -0.320 0.000 0.881 69 E CA -0.335 55.967 56.400 -0.163 0.000 0.757 69 E CB 0.779 30.439 29.700 -0.067 0.000 1.147 69 E HN 0.463 nan 8.360 nan 0.000 0.414 70 F N 2.545 122.482 119.950 -0.023 0.000 2.450 70 F HA 0.317 4.844 4.527 -0.000 0.000 0.332 70 F C 0.736 176.515 175.800 -0.036 0.000 1.093 70 F CA -1.141 56.838 58.000 -0.035 0.000 1.003 70 F CB 1.093 40.063 39.000 -0.050 0.000 1.151 70 F HN 0.347 nan 8.300 nan 0.000 0.474 71 N N 2.160 120.948 118.700 0.147 0.000 3.105 71 N HA 0.152 4.892 4.740 -0.000 0.000 0.256 71 N C -1.176 174.369 175.510 0.058 0.000 1.174 71 N CA -0.142 52.950 53.050 0.070 0.000 1.030 71 N CB 0.248 38.760 38.487 0.043 0.000 1.305 71 N HN 0.352 nan 8.380 nan 0.000 0.509 72 V N 2.918 122.846 119.914 0.023 0.000 2.420 72 V HA -0.055 4.065 4.120 -0.000 0.000 0.274 72 V C 0.752 176.834 176.094 -0.019 0.000 1.003 72 V CA -0.022 62.255 62.300 -0.038 0.000 1.092 72 V CB -0.278 31.460 31.823 -0.141 0.000 1.002 72 V HN 0.413 nan 8.190 nan 0.000 0.473 73 K N 7.763 128.187 120.400 0.040 0.000 2.267 73 K HA 0.372 4.692 4.320 -0.000 0.000 0.282 73 K C -0.473 176.240 176.600 0.187 0.000 1.078 73 K CA -0.317 56.039 56.287 0.116 0.000 0.903 73 K CB 0.210 32.758 32.500 0.080 0.000 1.111 73 K HN 0.648 nan 8.250 nan 0.000 0.475 74 Y N 0.989 121.266 120.300 -0.037 0.000 2.914 74 Y HA 0.698 5.248 4.550 -0.000 0.000 0.324 74 Y C -0.499 175.391 175.900 -0.016 0.000 1.280 74 Y CA -1.712 56.363 58.100 -0.042 0.000 1.133 74 Y CB 1.168 39.590 38.460 -0.064 0.000 1.395 74 Y HN 0.401 nan 8.280 nan 0.000 0.645 75 R N 1.122 121.482 120.500 -0.233 0.000 2.594 75 R HA 0.720 5.060 4.340 -0.000 0.000 0.265 75 R C -2.255 173.866 176.300 -0.299 0.000 1.070 75 R CA -0.313 55.603 56.100 -0.306 0.000 0.909 75 R CB 2.160 32.407 30.300 -0.090 0.000 1.243 75 R HN 1.177 nan 8.270 nan 0.000 0.455 76 A N 2.292 124.952 122.820 -0.268 0.000 2.564 76 A HA 0.532 4.851 4.320 -0.000 0.000 0.291 76 A C -1.652 175.926 177.584 -0.010 0.000 1.102 76 A CA -0.582 51.384 52.037 -0.119 0.000 0.660 76 A CB 1.800 20.712 19.000 -0.147 0.000 1.283 76 A HN 0.330 nan 8.150 nan 0.000 0.430 77 V N 1.602 121.552 119.914 0.061 0.000 2.385 77 V HA 0.494 4.614 4.120 -0.000 0.000 0.269 77 V C 0.063 176.242 176.094 0.141 0.000 1.043 77 V CA 0.002 62.381 62.300 0.132 0.000 0.906 77 V CB 0.694 32.617 31.823 0.167 0.000 0.995 77 V HN 0.962 nan 8.190 nan 0.000 0.467 78 V N 3.383 123.403 119.914 0.176 0.000 3.166 78 V HA 0.797 4.917 4.120 -0.000 0.000 0.317 78 V C -0.740 175.467 176.094 0.190 0.000 1.136 78 V CA -1.088 61.312 62.300 0.166 0.000 1.035 78 V CB 2.032 33.949 31.823 0.157 0.000 1.110 78 V HN 0.732 nan 8.190 nan 0.000 0.450 79 F N 1.772 121.665 119.950 -0.096 0.000 2.749 79 F HA 0.697 5.224 4.527 -0.000 0.000 0.339 79 F C -1.325 174.400 175.800 -0.124 0.000 1.211 79 F CA -1.003 56.854 58.000 -0.239 0.000 1.099 79 F CB 1.577 39.883 39.000 -1.155 0.000 1.359 79 F HN 0.672 nan 8.300 nan 0.000 0.549 80 K N 6.876 127.074 120.400 -0.336 0.000 2.579 80 K HA 0.521 4.841 4.320 -0.000 0.000 0.250 80 K C -3.429 172.912 176.600 -0.432 0.000 0.952 80 K CA -1.850 54.082 56.287 -0.591 0.000 0.857 80 K CB 2.092 34.313 32.500 -0.466 0.000 1.123 80 K HN 0.395 nan 8.250 nan 0.000 0.433 81 P HA 0.116 nan 4.420 nan 0.000 0.270 81 P C -0.876 176.322 177.300 -0.169 0.000 1.221 81 P CA 0.030 63.104 63.100 -0.043 0.000 0.788 81 P CB 0.320 31.979 31.700 -0.069 0.000 0.904 82 F N -1.201 118.770 119.950 0.035 0.000 2.650 82 F HA 0.407 4.934 4.527 -0.000 0.000 0.320 82 F C 0.784 176.603 175.800 0.032 0.000 1.091 82 F CA -1.021 56.994 58.000 0.025 0.000 0.962 82 F CB 1.349 40.376 39.000 0.045 0.000 1.363 82 F HN 0.026 nan 8.300 nan 0.000 0.482 83 K N 0.269 120.811 120.400 0.238 0.000 2.270 83 K HA 0.476 4.796 4.320 -0.000 0.000 0.276 83 K C 0.755 177.435 176.600 0.135 0.000 1.023 83 K CA 0.476 56.846 56.287 0.140 0.000 0.955 83 K CB 0.580 33.138 32.500 0.097 0.000 0.975 83 K HN 0.895 nan 8.250 nan 0.000 0.471 84 G N 1.173 110.031 108.800 0.097 0.000 2.205 84 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.261 84 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.261 84 G C 0.125 175.070 174.900 0.074 0.000 0.980 84 G CA 0.344 45.488 45.100 0.072 0.000 0.632 84 G HN 0.678 nan 8.290 nan 0.000 0.533 85 E N 0.180 120.448 120.200 0.114 0.000 2.349 85 E HA 0.512 4.862 4.350 -0.000 0.000 0.265 85 E C -0.328 176.332 176.600 0.101 0.000 1.064 85 E CA -0.406 56.062 56.400 0.112 0.000 0.886 85 E CB 1.187 31.004 29.700 0.195 0.000 1.036 85 E HN 0.270 nan 8.360 nan 0.000 0.413 86 V N 4.178 124.141 119.914 0.081 0.000 2.444 86 V HA 0.415 4.535 4.120 -0.000 0.000 0.294 86 V C -0.254 175.884 176.094 0.074 0.000 1.022 86 V CA -0.704 61.639 62.300 0.071 0.000 0.850 86 V CB 1.076 32.926 31.823 0.046 0.000 0.992 86 V HN 0.552 nan 8.190 nan 0.000 0.426 87 V N 0.957 120.922 119.914 0.085 0.000 3.114 87 V HA 0.866 4.986 4.120 -0.000 0.000 0.308 87 V C -1.594 174.537 176.094 0.062 0.000 1.168 87 V CA -0.961 61.383 62.300 0.074 0.000 1.015 87 V CB 2.502 34.394 31.823 0.115 0.000 1.050 87 V HN 0.819 nan 8.190 nan 0.000 0.433 88 D N 0.822 121.243 120.400 0.036 0.000 2.505 88 D HA 0.815 5.455 4.640 -0.000 0.000 0.249 88 D C 0.153 176.465 176.300 0.020 0.000 1.082 88 D CA -0.175 53.842 54.000 0.028 0.000 0.839 88 D CB 1.826 42.633 40.800 0.011 0.000 1.317 88 D HN 1.036 nan 8.370 nan 0.000 0.497 89 G N -0.302 108.517 108.800 0.031 0.000 3.086 89 G HA2 0.601 4.561 3.960 -0.000 0.000 0.282 89 G HA3 0.601 4.561 3.960 -0.000 0.000 0.282 89 G C -1.100 173.810 174.900 0.016 0.000 1.343 89 G CA -0.876 44.240 45.100 0.027 0.000 0.895 89 G HN 0.371 nan 8.290 nan 0.000 0.557 90 T N 1.026 115.593 114.554 0.022 0.000 2.758 90 T HA 0.473 4.823 4.350 -0.000 0.000 0.285 90 T C 0.459 175.175 174.700 0.027 0.000 0.981 90 T CA -0.229 61.877 62.100 0.010 0.000 0.965 90 T CB 1.348 70.223 68.868 0.012 0.000 0.927 90 T HN 0.420 nan 8.240 nan 0.000 0.448 91 V N 4.221 124.128 119.914 -0.011 0.000 2.901 91 V HA 0.041 4.161 4.120 -0.000 0.000 0.307 91 V C 1.144 177.273 176.094 0.058 0.000 1.084 91 V CA 0.289 62.597 62.300 0.013 0.000 1.184 91 V CB 0.579 32.329 31.823 -0.122 0.000 0.941 91 V HN 0.811 nan 8.190 nan 0.000 0.493 92 V N 1.632 121.614 119.914 0.113 0.000 3.097 92 V HA 0.139 4.259 4.120 -0.000 0.000 0.223 92 V C 0.814 176.981 176.094 0.121 0.000 1.199 92 V CA 0.983 63.346 62.300 0.105 0.000 1.260 92 V CB 0.625 32.516 31.823 0.114 0.000 1.155 92 V HN 0.917 nan 8.190 nan 0.000 0.509 93 S N -0.833 114.964 115.700 0.161 0.000 2.747 93 S HA 0.695 5.165 4.470 -0.000 0.000 0.300 93 S C -0.722 174.027 174.600 0.248 0.000 1.121 93 S CA -0.541 57.762 58.200 0.171 0.000 0.995 93 S CB 1.996 65.278 63.200 0.137 0.000 1.113 93 S HN 0.524 nan 8.310 nan 0.000 0.547 94 C N 1.650 121.106 119.300 0.261 0.000 3.046 94 C HA 0.777 5.237 4.460 -0.000 0.000 0.388 94 C C -0.352 174.849 174.990 0.351 0.000 1.041 94 C CA 0.285 59.523 59.018 0.367 0.000 1.241 94 C CB 0.508 28.491 27.740 0.405 0.000 1.638 94 C HN 1.355 nan 8.230 nan 0.000 0.539 95 S N 3.620 119.506 115.700 0.310 0.000 2.840 95 S HA 0.487 4.957 4.470 -0.000 0.000 0.307 95 S C 0.097 174.405 174.600 -0.488 0.000 1.180 95 S CA -0.452 57.822 58.200 0.122 0.000 0.846 95 S CB 1.247 64.513 63.200 0.110 0.000 1.233 95 S HN 0.880 nan 8.310 nan 0.000 0.548 96 Q N -0.363 119.089 119.800 -0.581 0.000 2.452 96 Q HA 0.217 4.557 4.340 -0.000 0.000 0.214 96 Q C 0.376 176.091 176.000 -0.474 0.000 0.966 96 Q CA 0.794 55.989 55.803 -1.013 0.000 0.964 96 Q CB -0.666 27.994 28.738 -0.129 0.000 0.992 96 Q HN 0.764 nan 8.270 nan 0.000 0.517 97 H N -1.112 117.812 119.070 -0.244 0.000 3.535 97 H HA 0.359 4.915 4.556 -0.000 0.000 0.260 97 H C 0.490 175.893 175.328 0.125 0.000 1.173 97 H CA 0.209 56.254 56.048 -0.005 0.000 1.168 97 H CB 1.753 31.558 29.762 0.070 0.000 1.568 97 H HN 0.380 nan 8.280 nan 0.000 0.602 98 G N 1.309 110.235 108.800 0.210 0.000 2.346 98 G HA2 0.111 4.071 3.960 -0.000 0.000 0.294 98 G HA3 0.111 4.071 3.960 -0.000 0.000 0.294 98 G C -1.758 173.202 174.900 0.100 0.000 1.294 98 G CA -0.613 44.430 45.100 -0.095 0.000 0.962 98 G HN 0.129 nan 8.290 nan 0.000 0.508 99 F N -0.824 119.044 119.950 -0.135 0.000 2.577 99 F HA 0.914 5.441 4.527 -0.000 0.000 0.318 99 F C -0.438 175.434 175.800 0.119 0.000 1.065 99 F CA -1.643 56.381 58.000 0.041 0.000 0.929 99 F CB 2.224 41.155 39.000 -0.116 0.000 1.237 99 F HN 0.654 nan 8.300 nan 0.000 0.468 100 E N 2.045 122.568 120.200 0.538 0.000 2.158 100 E HA 0.596 4.946 4.350 -0.000 0.000 0.271 100 E C -1.603 175.226 176.600 0.382 0.000 0.911 100 E CA -0.845 55.833 56.400 0.464 0.000 0.767 100 E CB 2.045 31.983 29.700 0.396 0.000 1.120 100 E HN 0.681 nan 8.360 nan 0.000 0.405 101 V N 3.794 123.911 119.914 0.337 0.000 2.716 101 V HA 0.211 4.331 4.120 -0.000 0.000 0.304 101 V C -0.213 175.987 176.094 0.176 0.000 1.053 101 V CA -0.456 61.982 62.300 0.230 0.000 0.984 101 V CB 1.709 33.662 31.823 0.217 0.000 1.021 101 V HN 0.718 nan 8.190 nan 0.000 0.467 102 Q N 2.513 122.389 119.800 0.127 0.000 2.381 102 Q HA 0.485 4.825 4.340 -0.000 0.000 0.263 102 Q C -1.605 174.448 176.000 0.089 0.000 1.030 102 Q CA -0.347 55.524 55.803 0.114 0.000 0.772 102 Q CB 1.695 30.494 28.738 0.101 0.000 1.232 102 Q HN 0.571 nan 8.270 nan 0.000 0.476 103 V N 5.235 125.211 119.914 0.104 0.000 2.334 103 V HA 0.519 4.639 4.120 -0.000 0.000 0.267 103 V C 0.909 177.041 176.094 0.064 0.000 1.040 103 V CA 0.844 63.196 62.300 0.086 0.000 0.866 103 V CB 0.249 32.151 31.823 0.132 0.000 1.019 103 V HN 1.068 nan 8.190 nan 0.000 0.468 104 G N 8.010 116.805 108.800 -0.009 0.000 2.564 104 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.273 104 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.273 104 G C -0.963 173.966 174.900 0.049 0.000 1.242 104 G CA 0.209 45.277 45.100 -0.054 0.000 0.951 104 G HN 0.574 nan 8.290 nan 0.000 0.564 105 P HA 0.011 nan 4.420 nan 0.000 0.226 105 P C 1.167 178.531 177.300 0.106 0.000 1.153 105 P CA 1.712 64.912 63.100 0.166 0.000 0.777 105 P CB 0.051 31.936 31.700 0.307 0.000 0.794 106 M N -0.039 119.558 119.600 -0.004 0.000 2.369 106 M HA 0.386 4.866 4.480 -0.000 0.000 0.291 106 M C -0.908 175.425 176.300 0.055 0.000 1.178 106 M CA -0.254 54.999 55.300 -0.078 0.000 0.996 106 M CB 1.589 34.052 32.600 -0.228 0.000 1.472 106 M HN -0.379 nan 8.290 nan 0.000 0.496 107 K N 1.699 122.134 120.400 0.059 0.000 2.507 107 K HA 0.559 4.879 4.320 -0.000 0.000 0.251 107 K C -1.800 174.934 176.600 0.223 0.000 0.943 107 K CA -0.754 55.635 56.287 0.170 0.000 0.794 107 K CB 2.591 35.236 32.500 0.241 0.000 1.188 107 K HN 0.529 nan 8.250 nan 0.000 0.428 108 V N 3.856 123.893 119.914 0.205 0.000 2.513 108 V HA 0.431 4.551 4.120 -0.000 0.000 0.299 108 V C -0.744 175.488 176.094 0.230 0.000 1.035 108 V CA -0.843 61.576 62.300 0.199 0.000 0.889 108 V CB 1.111 33.018 31.823 0.140 0.000 0.988 108 V HN 0.604 nan 8.190 nan 0.000 0.440 109 F N 5.147 125.121 119.950 0.040 0.000 2.450 109 F HA 0.763 5.290 4.527 -0.000 0.000 0.332 109 F C -0.406 175.307 175.800 -0.145 0.000 1.093 109 F CA -0.743 57.231 58.000 -0.043 0.000 1.003 109 F CB 1.769 40.743 39.000 -0.044 0.000 1.151 109 F HN 0.234 nan 8.300 nan 0.000 0.474 110 V N 4.509 123.580 119.914 -1.405 0.000 2.378 110 V HA 0.296 4.416 4.120 -0.000 0.000 0.288 110 V C -0.235 174.880 176.094 -1.631 0.000 1.016 110 V CA -0.777 60.734 62.300 -1.314 0.000 0.840 110 V CB 1.382 32.397 31.823 -1.346 0.000 0.994 110 V HN 0.875 nan 8.190 nan 0.000 0.431 111 T N 4.017 117.990 114.554 -0.969 0.000 2.919 111 T HA 0.082 4.432 4.350 -0.000 0.000 0.302 111 T C 1.256 175.716 174.700 -0.401 0.000 1.031 111 T CA -0.241 61.548 62.100 -0.518 0.000 1.127 111 T CB 1.062 69.847 68.868 -0.138 0.000 0.952 111 T HN 0.837 nan 8.240 nan 0.000 0.540 112 K N 1.747 121.979 120.400 -0.280 0.000 2.160 112 K HA -0.202 4.117 4.320 -0.000 0.000 0.206 112 K C 1.320 177.716 176.600 -0.340 0.000 1.047 112 K CA 1.766 57.900 56.287 -0.256 0.000 0.930 112 K CB -0.144 32.191 32.500 -0.276 0.000 0.720 112 K HN 0.651 nan 8.250 nan 0.000 0.450 113 H N -0.812 118.224 119.070 -0.056 0.000 2.517 113 H HA 0.159 4.715 4.556 -0.000 0.000 0.282 113 H C 0.522 175.817 175.328 -0.055 0.000 1.023 113 H CA 0.301 56.327 56.048 -0.036 0.000 1.169 113 H CB 0.578 30.326 29.762 -0.024 0.000 1.454 113 H HN 0.151 nan 8.280 nan 0.000 0.556 114 L N 0.580 121.775 121.223 -0.047 0.000 2.766 114 L HA 0.211 4.551 4.340 -0.000 0.000 0.242 114 L C 0.653 177.468 176.870 -0.092 0.000 1.136 114 L CA 0.140 54.937 54.840 -0.071 0.000 0.933 114 L CB 0.190 42.170 42.059 -0.132 0.000 1.241 114 L HN 0.030 nan 8.230 nan 0.000 0.522 115 M N -1.321 118.217 119.600 -0.103 0.000 2.792 115 M HA 0.634 5.114 4.480 -0.000 0.000 0.294 115 M C -2.241 174.057 176.300 -0.004 0.000 1.215 115 M CA -1.938 53.323 55.300 -0.065 0.000 0.883 115 M CB -0.195 32.348 32.600 -0.094 0.000 1.620 115 M HN -0.289 nan 8.290 nan 0.000 0.511 116 P HA 0.081 nan 4.420 nan 0.000 0.271 116 P C -0.717 176.614 177.300 0.051 0.000 1.244 116 P CA 0.122 63.243 63.100 0.035 0.000 0.793 116 P CB 0.703 32.423 31.700 0.035 0.000 0.984 117 Q N 0.260 120.091 119.800 0.051 0.000 2.036 117 Q HA -0.105 4.235 4.340 -0.000 0.000 0.195 117 Q C 1.610 177.645 176.000 0.060 0.000 0.971 117 Q CA 1.594 57.433 55.803 0.060 0.000 0.826 117 Q CB -0.518 28.251 28.738 0.053 0.000 0.896 117 Q HN 0.588 nan 8.270 nan 0.000 0.449 118 D N 0.656 121.085 120.400 0.048 0.000 2.429 118 D HA -0.155 4.485 4.640 -0.000 0.000 0.230 118 D C -0.092 176.245 176.300 0.061 0.000 1.005 118 D CA 0.425 54.452 54.000 0.045 0.000 0.963 118 D CB -0.068 40.751 40.800 0.031 0.000 0.872 118 D HN 0.087 nan 8.370 nan 0.000 0.524 119 L N 1.837 123.112 121.223 0.088 0.000 2.313 119 L HA 0.253 4.593 4.340 -0.000 0.000 0.273 119 L C 0.383 177.356 176.870 0.173 0.000 1.028 119 L CA -0.447 54.478 54.840 0.142 0.000 0.871 119 L CB 1.014 43.177 42.059 0.173 0.000 1.242 119 L HN -0.007 nan 8.230 nan 0.000 0.434 120 T N 1.001 115.623 114.554 0.113 0.000 2.833 120 T HA 0.457 4.807 4.350 -0.000 0.000 0.312 120 T C -0.234 174.459 174.700 -0.011 0.000 1.085 120 T CA -0.340 61.794 62.100 0.058 0.000 0.955 120 T CB 0.692 69.563 68.868 0.005 0.000 1.353 120 T HN 0.344 nan 8.240 nan 0.000 0.544 121 F N 1.362 121.098 119.950 -0.356 0.000 2.536 121 F HA 0.567 5.094 4.527 -0.000 0.000 0.322 121 F C -0.930 174.649 175.800 -0.367 0.000 1.144 121 F CA -1.529 56.029 58.000 -0.737 0.000 0.924 121 F CB 1.357 39.822 39.000 -0.891 0.000 1.181 121 F HN 0.599 nan 8.300 nan 0.000 0.438 122 N N 4.556 122.717 118.700 -0.898 0.000 2.439 122 N HA 0.477 5.217 4.740 -0.000 0.000 0.249 122 N C 0.376 175.266 175.510 -1.032 0.000 1.003 122 N CA 0.406 53.008 53.050 -0.747 0.000 0.942 122 N CB 1.690 39.971 38.487 -0.342 0.000 1.115 122 N HN 0.789 nan 8.380 nan 0.000 0.505 123 A N 2.921 125.206 122.820 -0.891 0.000 1.874 123 A HA 0.127 4.447 4.320 -0.000 0.000 0.214 123 A C 1.473 178.902 177.584 -0.259 0.000 1.189 123 A CA 1.152 52.850 52.037 -0.566 0.000 0.615 123 A CB -0.833 17.998 19.000 -0.281 0.000 0.830 123 A HN 0.618 nan 8.150 nan 0.000 0.443 124 G N 0.839 109.516 108.800 -0.205 0.000 3.397 124 G HA2 0.364 4.324 3.960 -0.000 0.000 0.248 124 G HA3 0.364 4.324 3.960 -0.000 0.000 0.248 124 G C 0.313 175.151 174.900 -0.103 0.000 1.284 124 G CA 0.605 45.635 45.100 -0.116 0.000 1.570 124 G HN 0.690 nan 8.290 nan 0.000 0.587 125 S N -0.937 114.695 115.700 -0.114 0.000 2.568 125 S HA 0.582 5.051 4.470 -0.000 0.000 0.302 125 S C -0.709 173.873 174.600 -0.030 0.000 1.082 125 S CA -1.066 57.090 58.200 -0.073 0.000 1.009 125 S CB 2.452 65.599 63.200 -0.089 0.000 1.069 125 S HN 0.196 nan 8.310 nan 0.000 0.500 126 N N 2.089 120.782 118.700 -0.011 0.000 2.558 126 N HA 0.377 5.116 4.740 -0.000 0.000 0.285 126 N C -2.634 172.884 175.510 0.014 0.000 1.112 126 N CA -1.063 51.991 53.050 0.008 0.000 0.857 126 N CB 1.217 39.707 38.487 0.005 0.000 1.376 126 N HN 0.659 nan 8.380 nan 0.000 0.526 127 P HA 0.317 nan 4.420 nan 0.000 0.272 127 P C -2.863 174.471 177.300 0.057 0.000 1.230 127 P CA -0.947 62.181 63.100 0.046 0.000 0.788 127 P CB 0.144 31.876 31.700 0.054 0.000 0.949 128 P HA 0.053 nan 4.420 nan 0.000 0.266 128 P C -0.149 177.257 177.300 0.177 0.000 1.193 128 P CA 0.540 63.713 63.100 0.122 0.000 0.770 128 P CB 0.354 32.190 31.700 0.227 0.000 0.836 129 S N 0.591 116.385 115.700 0.158 0.000 2.703 129 S HA 0.591 5.061 4.470 -0.000 0.000 0.273 129 S C -1.889 172.883 174.600 0.287 0.000 1.178 129 S CA -0.719 57.642 58.200 0.268 0.000 0.838 129 S CB 0.698 63.977 63.200 0.130 0.000 1.178 129 S HN 0.194 nan 8.310 nan 0.000 0.494 130 Y N 0.884 121.275 120.300 0.151 0.000 2.376 130 Y HA 0.592 5.142 4.550 -0.000 0.000 0.340 130 Y C 0.194 176.135 175.900 0.069 0.000 0.965 130 Y CA -0.497 57.701 58.100 0.163 0.000 1.078 130 Y CB 2.027 40.621 38.460 0.225 0.000 1.193 130 Y HN 0.663 nan 8.280 nan 0.000 0.452 131 Q N 1.383 121.263 119.800 0.133 0.000 2.266 131 Q HA 0.690 5.030 4.340 -0.000 0.000 0.261 131 Q C -0.751 175.297 176.000 0.081 0.000 0.985 131 Q CA -0.810 55.038 55.803 0.076 0.000 0.873 131 Q CB 2.538 31.285 28.738 0.015 0.000 1.306 131 Q HN 0.661 nan 8.270 nan 0.000 0.447 132 S N -0.373 115.362 115.700 0.059 0.000 2.704 132 S HA 0.301 4.771 4.470 -0.000 0.000 0.296 132 S C 0.617 175.233 174.600 0.027 0.000 1.138 132 S CA -0.495 57.734 58.200 0.049 0.000 0.875 132 S CB 1.629 64.859 63.200 0.051 0.000 1.151 132 S HN 0.633 nan 8.310 nan 0.000 0.500 133 S N 1.318 117.030 115.700 0.021 0.000 2.387 133 S HA -0.165 4.305 4.470 -0.000 0.000 0.230 133 S C 1.280 175.884 174.600 0.008 0.000 1.035 133 S CA 2.062 60.269 58.200 0.011 0.000 1.014 133 S CB -0.398 62.807 63.200 0.008 0.000 0.836 133 S HN 0.816 nan 8.310 nan 0.000 0.466 134 E N -0.838 119.367 120.200 0.008 0.000 2.568 134 E HA 0.209 4.559 4.350 -0.000 0.000 0.220 134 E C -0.672 175.932 176.600 0.005 0.000 0.869 134 E CA -0.245 56.158 56.400 0.004 0.000 1.268 134 E CB 0.299 29.999 29.700 -0.000 0.000 1.252 134 E HN 0.200 nan 8.360 nan 0.000 0.606 135 D N 1.341 121.748 120.400 0.012 0.000 2.193 135 D HA 0.387 5.027 4.640 -0.000 0.000 0.249 135 D C -0.829 175.485 176.300 0.022 0.000 1.034 135 D CA -0.470 53.537 54.000 0.012 0.000 0.902 135 D CB 2.953 43.760 40.800 0.013 0.000 1.182 135 D HN -0.129 nan 8.370 nan 0.000 0.436 136 V N 3.126 123.048 119.914 0.014 0.000 2.488 136 V HA 0.326 4.446 4.120 -0.000 0.000 0.293 136 V C -0.200 175.897 176.094 0.005 0.000 1.027 136 V CA -0.579 61.735 62.300 0.023 0.000 0.862 136 V CB 1.658 33.489 31.823 0.014 0.000 1.008 136 V HN 0.393 nan 8.190 nan 0.000 0.428 137 I N 4.674 125.257 120.570 0.022 0.000 2.362 137 I HA 0.669 4.839 4.170 -0.000 0.000 0.289 137 I C 0.335 176.453 176.117 0.000 0.000 0.994 137 I CA 0.190 61.456 61.300 -0.056 0.000 1.158 137 I CB 2.096 39.985 38.000 -0.185 0.000 1.315 137 I HN 0.622 nan 8.210 nan 0.000 0.451 138 T N 4.377 118.910 114.554 -0.036 0.000 2.590 138 T HA 0.467 4.817 4.350 -0.000 0.000 0.282 138 T C 1.395 176.088 174.700 -0.012 0.000 0.989 138 T CA -0.665 61.449 62.100 0.023 0.000 1.091 138 T CB 0.921 69.812 68.868 0.038 0.000 1.460 138 T HN 0.285 nan 8.240 nan 0.000 0.499 139 I N 1.138 121.725 120.570 0.029 0.000 2.352 139 I HA -0.305 3.865 4.170 -0.000 0.000 0.214 139 I C 2.437 178.552 176.117 -0.004 0.000 0.961 139 I CA 1.545 62.862 61.300 0.028 0.000 1.290 139 I CB -0.431 37.593 38.000 0.039 0.000 0.997 139 I HN 0.516 nan 8.210 nan 0.000 0.375 140 K N 1.243 121.641 120.400 -0.004 0.000 2.280 140 K HA -0.048 4.272 4.320 -0.000 0.000 0.202 140 K C 0.938 177.516 176.600 -0.036 0.000 1.047 140 K CA 0.761 57.041 56.287 -0.012 0.000 0.942 140 K CB -0.849 31.648 32.500 -0.005 0.000 0.739 140 K HN 0.608 nan 8.250 nan 0.000 0.457 141 S N 2.114 117.781 115.700 -0.056 0.000 2.702 141 S HA -0.031 4.439 4.470 -0.000 0.000 0.314 141 S C 0.102 174.643 174.600 -0.099 0.000 1.244 141 S CA -0.202 57.950 58.200 -0.079 0.000 1.058 141 S CB 0.123 63.261 63.200 -0.104 0.000 0.783 141 S HN 0.121 nan 8.310 nan 0.000 0.503 142 R N 2.526 122.983 120.500 -0.071 0.000 2.298 142 R HA 0.513 4.853 4.340 -0.000 0.000 0.310 142 R C -0.088 176.168 176.300 -0.072 0.000 1.068 142 R CA -0.128 55.935 56.100 -0.061 0.000 0.957 142 R CB 0.385 30.663 30.300 -0.037 0.000 1.003 142 R HN 0.650 nan 8.270 nan 0.000 0.454 143 I N 1.639 122.166 120.570 -0.071 0.000 3.023 143 I HA 0.481 4.651 4.170 -0.000 0.000 0.312 143 I C 0.015 176.133 176.117 0.003 0.000 1.056 143 I CA -1.210 60.058 61.300 -0.053 0.000 1.033 143 I CB 2.069 40.012 38.000 -0.094 0.000 1.233 143 I HN 0.424 nan 8.210 nan 0.000 0.462 144 R N 2.658 123.174 120.500 0.027 0.000 2.500 144 R HA 0.662 5.002 4.340 -0.000 0.000 0.299 144 R C -2.100 174.238 176.300 0.064 0.000 1.038 144 R CA -0.344 55.781 56.100 0.043 0.000 0.903 144 R CB 1.570 31.892 30.300 0.036 0.000 1.177 144 R HN 0.465 nan 8.270 nan 0.000 0.455 145 V N 3.386 123.345 119.914 0.075 0.000 2.994 145 V HA 0.447 4.567 4.120 -0.000 0.000 0.318 145 V C -0.391 175.744 176.094 0.069 0.000 1.085 145 V CA -0.896 61.450 62.300 0.076 0.000 0.998 145 V CB 2.014 33.889 31.823 0.087 0.000 1.063 145 V HN 0.661 nan 8.190 nan 0.000 0.447 146 K N 2.749 123.184 120.400 0.059 0.000 2.389 146 K HA 0.497 4.817 4.320 -0.000 0.000 0.261 146 K C -0.753 175.882 176.600 0.057 0.000 1.014 146 K CA -0.553 55.770 56.287 0.059 0.000 0.920 146 K CB 0.745 33.275 32.500 0.051 0.000 1.149 146 K HN 0.640 nan 8.250 nan 0.000 0.444 147 I N 5.255 125.871 120.570 0.077 0.000 2.691 147 I HA -0.091 4.079 4.170 -0.000 0.000 0.288 147 I C 1.337 177.493 176.117 0.066 0.000 1.143 147 I CA 0.030 61.376 61.300 0.077 0.000 1.364 147 I CB 0.381 38.444 38.000 0.105 0.000 1.435 147 I HN 0.673 nan 8.210 nan 0.000 0.551 148 E N 4.608 124.835 120.200 0.045 0.000 2.152 148 E HA 0.032 4.382 4.350 -0.000 0.000 0.192 148 E C 0.953 177.579 176.600 0.044 0.000 0.983 148 E CA 0.442 56.865 56.400 0.039 0.000 0.818 148 E CB 0.313 30.026 29.700 0.021 0.000 0.758 148 E HN 0.830 nan 8.360 nan 0.000 0.467 149 G N -0.836 107.992 108.800 0.047 0.000 2.703 149 G HA2 0.396 4.356 3.960 -0.000 0.000 0.294 149 G HA3 0.396 4.356 3.960 -0.000 0.000 0.294 149 G C -1.350 173.574 174.900 0.040 0.000 1.451 149 G CA -0.595 44.531 45.100 0.043 0.000 0.869 149 G HN 0.061 nan 8.290 nan 0.000 0.516 150 C N 0.210 119.522 119.300 0.020 0.000 2.561 150 C HA 0.769 5.229 4.460 -0.000 0.000 0.319 150 C C -0.125 174.868 174.990 0.004 0.000 1.198 150 C CA -0.445 58.574 59.018 0.003 0.000 1.665 150 C CB 0.689 28.395 27.740 -0.056 0.000 2.258 150 C HN 0.582 nan 8.230 nan 0.000 0.493 151 I N 2.915 123.500 120.570 0.025 0.000 2.521 151 I HA 0.222 4.392 4.170 -0.000 0.000 0.277 151 I C 0.547 176.683 176.117 0.033 0.000 1.054 151 I CA 0.165 61.485 61.300 0.032 0.000 1.117 151 I CB 0.998 39.034 38.000 0.060 0.000 1.217 151 I HN 0.728 nan 8.210 nan 0.000 0.469 152 S N 4.783 120.480 115.700 -0.005 0.000 2.569 152 S HA 0.327 4.797 4.470 -0.000 0.000 0.274 152 S C -0.259 174.351 174.600 0.017 0.000 1.353 152 S CA -0.212 57.981 58.200 -0.011 0.000 1.023 152 S CB 1.447 64.624 63.200 -0.038 0.000 0.876 152 S HN 0.758 nan 8.310 nan 0.000 0.540 153 Q N 1.251 121.060 119.800 0.015 0.000 2.613 153 Q HA 0.367 4.707 4.340 -0.000 0.000 0.231 153 Q C -0.320 175.687 176.000 0.012 0.000 0.879 153 Q CA -0.288 55.532 55.803 0.029 0.000 1.083 153 Q CB 0.521 29.308 28.738 0.082 0.000 1.588 153 Q HN 0.900 nan 8.270 nan 0.000 0.500 154 V N 1.741 121.654 119.914 -0.003 0.000 0.688 154 V HA -0.425 3.695 4.120 -0.000 0.000 0.092 154 V C 0.619 176.685 176.094 -0.047 0.000 0.827 154 V CA 2.099 64.390 62.300 -0.016 0.000 3.108 154 V CB -1.892 29.930 31.823 -0.003 0.000 0.219 154 V HN 1.177 nan 8.190 nan 0.000 0.146 155 S N 0.821 116.483 115.700 -0.063 0.000 2.581 155 S HA 0.680 5.150 4.470 -0.000 0.000 0.245 155 S C -0.260 174.223 174.600 -0.196 0.000 1.115 155 S CA 0.477 58.600 58.200 -0.128 0.000 1.093 155 S CB 0.421 63.558 63.200 -0.104 0.000 0.853 155 S HN 2.104 nan 8.310 nan 0.000 0.479 156 S N 0.336 115.951 115.700 -0.142 0.000 2.611 156 S HA 0.772 5.242 4.470 -0.000 0.000 0.268 156 S C -1.331 173.256 174.600 -0.022 0.000 1.156 156 S CA -1.046 57.094 58.200 -0.100 0.000 0.817 156 S CB 0.754 63.934 63.200 -0.034 0.000 1.122 156 S HN 0.333 nan 8.310 nan 0.000 0.466 157 I N 1.685 122.263 120.570 0.013 0.000 2.607 157 I HA 0.479 4.649 4.170 -0.000 0.000 0.290 157 I C -0.805 175.135 176.117 -0.295 0.000 1.129 157 I CA -0.548 60.711 61.300 -0.069 0.000 1.042 157 I CB 2.052 40.056 38.000 0.007 0.000 1.242 157 I HN 0.669 nan 8.210 nan 0.000 0.421 158 H N 3.682 122.775 119.070 0.040 0.000 2.754 158 H HA 0.908 5.464 4.556 -0.000 0.000 0.352 158 H C -0.698 174.649 175.328 0.031 0.000 1.213 158 H CA -0.958 55.117 56.048 0.044 0.000 1.244 158 H CB 2.448 32.238 29.762 0.047 0.000 1.843 158 H HN 0.713 nan 8.280 nan 0.000 0.587 159 A N 1.079 124.020 122.820 0.202 0.000 2.599 159 A HA 0.449 4.769 4.320 -0.000 0.000 0.294 159 A C -1.316 176.350 177.584 0.138 0.000 1.055 159 A CA -0.640 51.473 52.037 0.127 0.000 0.683 159 A CB 0.948 19.993 19.000 0.076 0.000 1.278 159 A HN 0.490 nan 8.150 nan 0.000 0.412 160 I N 1.124 121.754 120.570 0.101 0.000 2.437 160 I HA 0.657 4.827 4.170 -0.000 0.000 0.298 160 I C 0.761 176.890 176.117 0.020 0.000 0.984 160 I CA -0.510 60.831 61.300 0.069 0.000 1.214 160 I CB 2.034 40.074 38.000 0.068 0.000 1.365 160 I HN 0.800 nan 8.210 nan 0.000 0.469 161 G N 2.765 111.542 108.800 -0.038 0.000 2.620 161 G HA2 0.581 4.541 3.960 -0.000 0.000 0.301 161 G HA3 0.581 4.541 3.960 -0.000 0.000 0.301 161 G C -0.986 173.862 174.900 -0.086 0.000 1.347 161 G CA -0.480 44.602 45.100 -0.030 0.000 0.971 161 G HN 0.654 nan 8.290 nan 0.000 0.488 162 S N -0.247 115.427 115.700 -0.044 0.000 2.608 162 S HA 0.661 5.131 4.470 -0.000 0.000 0.291 162 S C 0.571 175.162 174.600 -0.014 0.000 1.146 162 S CA -0.723 57.445 58.200 -0.054 0.000 1.043 162 S CB 1.550 64.733 63.200 -0.028 0.000 1.037 162 S HN 1.214 nan 8.310 nan 0.000 0.520 163 I N -2.353 118.209 120.570 -0.014 0.000 3.813 163 I HA 0.464 4.634 4.170 -0.000 0.000 0.323 163 I C 0.935 177.063 176.117 0.018 0.000 1.536 163 I CA -0.543 60.773 61.300 0.026 0.000 1.083 163 I CB 0.215 38.256 38.000 0.068 0.000 1.265 163 I HN 0.623 nan 8.210 nan 0.000 0.507 164 K N 1.289 121.692 120.400 0.006 0.000 2.305 164 K HA 0.105 4.425 4.320 -0.000 0.000 0.199 164 K C 0.883 177.491 176.600 0.014 0.000 1.047 164 K CA 0.375 56.667 56.287 0.008 0.000 0.976 164 K CB 0.427 32.929 32.500 0.004 0.000 0.765 164 K HN 0.406 nan 8.250 nan 0.000 0.474 165 E N 1.173 121.387 120.200 0.024 0.000 3.056 165 E HA -0.010 4.340 4.350 -0.000 0.000 0.275 165 E C -0.037 176.579 176.600 0.027 0.000 1.468 165 E CA 0.209 56.630 56.400 0.035 0.000 1.219 165 E CB 0.184 29.919 29.700 0.058 0.000 1.119 165 E HN 0.161 nan 8.360 nan 0.000 0.710 166 D N -1.050 119.379 120.400 0.048 0.000 2.466 166 D HA 0.094 4.734 4.640 -0.000 0.000 0.262 166 D C -0.033 176.312 176.300 0.074 0.000 1.177 166 D CA -0.379 53.601 54.000 -0.034 0.000 1.035 166 D CB 0.295 41.044 40.800 -0.085 0.000 1.105 166 D HN 0.359 nan 8.370 nan 0.000 0.551 167 Y N -1.332 118.972 120.300 0.007 0.000 3.662 167 Y HA -0.268 4.282 4.550 -0.000 0.000 0.213 167 Y C 0.299 176.203 175.900 0.007 0.000 1.133 167 Y CA 0.237 58.340 58.100 0.005 0.000 1.463 167 Y CB -1.587 36.875 38.460 0.003 0.000 1.423 167 Y HN 0.144 nan 8.280 nan 0.000 0.616 168 L N -1.544 119.735 121.223 0.094 0.000 2.235 168 L HA 0.891 5.231 4.340 -0.000 0.000 0.260 168 L C 1.068 177.963 176.870 0.042 0.000 1.025 168 L CA -0.349 54.534 54.840 0.073 0.000 0.836 168 L CB 1.944 44.044 42.059 0.067 0.000 1.395 168 L HN 0.259 nan 8.230 nan 0.000 0.443 169 G N 0.062 108.888 108.800 0.043 0.000 2.460 169 G HA2 0.073 4.033 3.960 -0.000 0.000 0.207 169 G HA3 0.073 4.033 3.960 -0.000 0.000 0.207 169 G C -0.853 174.047 174.900 0.000 0.000 1.170 169 G CA -0.081 45.035 45.100 0.027 0.000 1.151 169 G HN 0.955 nan 8.290 nan 0.000 0.575 170 A N -0.288 122.521 122.820 -0.017 0.000 2.239 170 A HA 0.984 5.304 4.320 -0.000 0.000 0.303 170 A C 0.429 178.003 177.584 -0.016 0.000 1.114 170 A CA 0.295 52.312 52.037 -0.034 0.000 0.871 170 A CB 0.308 19.282 19.000 -0.045 0.000 1.201 170 A HN 1.972 nan 8.150 nan 0.000 0.506 171 I N 0.000 120.558 120.570 -0.020 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 171 I CB 0.000 37.998 38.000 -0.004 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494