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 3how_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 0.000 175.860 176.300 -0.734 0.000 1.140 1 M CA 0.000 55.130 55.300 -0.283 0.000 0.988 1 M CB 0.000 32.641 32.600 0.068 0.000 1.302 2 F N 2.669 122.402 119.950 -0.362 0.000 2.568 2 F HA 0.101 4.628 4.527 -0.000 0.000 0.394 2 F C 0.107 175.648 175.800 -0.431 0.000 1.032 2 F CA 1.326 59.182 58.000 -0.241 0.000 1.242 2 F CB -0.174 38.748 39.000 -0.130 0.000 0.966 2 F HN 0.086 nan 8.300 nan 0.000 0.560 3 F N 3.053 123.186 119.950 0.304 0.000 2.594 3 F HA 0.643 5.170 4.527 -0.000 0.000 0.335 3 F C -0.048 175.839 175.800 0.146 0.000 1.058 3 F CA -1.076 57.040 58.000 0.194 0.000 0.981 3 F CB 1.254 40.353 39.000 0.166 0.000 1.289 3 F HN 0.032 nan 8.300 nan 0.000 0.490 4 I N 2.070 122.825 120.570 0.308 0.000 2.411 4 I HA 0.311 4.481 4.170 -0.000 0.000 0.284 4 I C -0.844 175.343 176.117 0.117 0.000 1.012 4 I CA -0.675 60.717 61.300 0.153 0.000 1.119 4 I CB 1.764 39.822 38.000 0.096 0.000 1.261 4 I HN 0.429 nan 8.210 nan 0.000 0.448 5 K N 5.070 125.501 120.400 0.051 0.000 2.259 5 K HA 0.369 4.689 4.320 -0.000 0.000 0.249 5 K C -0.885 175.665 176.600 -0.083 0.000 0.942 5 K CA -0.537 55.749 56.287 -0.001 0.000 0.816 5 K CB 1.404 33.907 32.500 0.005 0.000 1.155 5 K HN 0.322 nan 8.250 nan 0.000 0.428 6 D N 4.943 125.308 120.400 -0.059 0.000 2.441 6 D HA 0.183 4.823 4.640 -0.000 0.000 0.221 6 D C -0.121 176.139 176.300 -0.066 0.000 1.156 6 D CA -0.029 53.937 54.000 -0.057 0.000 0.896 6 D CB 0.462 41.256 40.800 -0.010 0.000 1.028 6 D HN 0.336 nan 8.370 nan 0.000 0.509 7 L N 0.711 121.879 121.223 -0.092 0.000 2.397 7 L HA 0.551 4.891 4.340 -0.000 0.000 0.266 7 L C 0.469 177.489 176.870 0.250 0.000 1.040 7 L CA -0.735 54.103 54.840 -0.003 0.000 0.800 7 L CB 1.194 43.203 42.059 -0.084 0.000 1.324 7 L HN 0.230 nan 8.230 nan 0.000 0.469 8 S N 0.750 116.532 115.700 0.136 0.000 2.543 8 S HA 0.670 5.140 4.470 -0.000 0.000 0.273 8 S C -1.290 173.232 174.600 -0.129 0.000 1.152 8 S CA -0.659 57.528 58.200 -0.023 0.000 0.910 8 S CB 2.069 65.264 63.200 -0.007 0.000 1.105 8 S HN 0.371 nan 8.310 nan 0.000 0.465 9 L N 1.875 122.940 121.223 -0.263 0.000 2.354 9 L HA 0.684 5.024 4.340 -0.000 0.000 0.269 9 L C -1.288 175.503 176.870 -0.132 0.000 1.005 9 L CA -0.518 54.194 54.840 -0.213 0.000 0.819 9 L CB 1.868 43.723 42.059 -0.340 0.000 1.311 9 L HN 0.802 nan 8.230 nan 0.000 0.423 10 N N 4.804 123.460 118.700 -0.074 0.000 2.424 10 N HA 0.548 5.288 4.740 -0.000 0.000 0.271 10 N C -1.259 174.237 175.510 -0.023 0.000 0.985 10 N CA -0.131 52.899 53.050 -0.033 0.000 0.921 10 N CB 1.750 40.226 38.487 -0.018 0.000 1.149 10 N HN 0.506 nan 8.380 nan 0.000 0.492 11 I N 0.936 121.513 120.570 0.012 0.000 2.498 11 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 11 I C 0.159 176.321 176.117 0.075 0.000 1.032 11 I CA -0.577 60.741 61.300 0.029 0.000 1.073 11 I CB 2.269 40.275 38.000 0.010 0.000 1.251 11 I HN 0.121 nan 8.210 nan 0.000 0.426 12 T N 6.725 121.313 114.554 0.056 0.000 2.767 12 T HA 0.483 4.833 4.350 -0.000 0.000 0.288 12 T C -0.476 174.299 174.700 0.125 0.000 0.963 12 T CA -0.278 61.862 62.100 0.068 0.000 1.019 12 T CB 0.788 69.687 68.868 0.052 0.000 0.923 12 T HN 0.302 nan 8.240 nan 0.000 0.468 13 L N 4.127 125.461 121.223 0.186 0.000 2.325 13 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 13 L C 0.246 177.372 176.870 0.427 0.000 1.004 13 L CA -0.960 54.042 54.840 0.270 0.000 0.823 13 L CB 1.077 43.325 42.059 0.315 0.000 1.236 13 L HN 0.780 nan 8.230 nan 0.000 0.415 14 H N 6.223 125.502 119.070 0.348 0.000 2.964 14 H HA 0.025 4.580 4.556 -0.000 0.000 0.368 14 H C -1.972 173.644 175.328 0.481 0.000 1.212 14 H CA -0.059 56.200 56.048 0.352 0.000 1.421 14 H CB 0.932 30.903 29.762 0.349 0.000 1.385 14 H HN 0.374 nan 8.280 nan 0.000 0.614 15 P HA -0.103 nan 4.420 nan 0.000 0.222 15 P C 1.340 178.633 177.300 -0.013 0.000 1.153 15 P CA 1.700 64.447 63.100 -0.589 0.000 0.798 15 P CB 0.074 31.174 31.700 -1.000 0.000 0.796 16 S N -0.801 115.007 115.700 0.181 0.000 2.407 16 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 16 S C 1.443 176.028 174.600 -0.024 0.000 1.036 16 S CA 1.392 59.631 58.200 0.064 0.000 1.013 16 S CB -1.909 61.275 63.200 -0.027 0.000 0.820 16 S HN 0.096 nan 8.310 nan 0.000 0.476 17 F N 0.330 120.420 119.950 0.233 0.000 2.797 17 F HA 0.389 4.916 4.527 -0.000 0.000 0.302 17 F C 0.397 176.340 175.800 0.239 0.000 1.130 17 F CA -0.569 57.506 58.000 0.125 0.000 1.387 17 F CB -0.367 38.629 39.000 -0.008 0.000 1.107 17 F HN 0.082 nan 8.300 nan 0.000 0.577 18 F N 1.133 121.182 119.950 0.166 0.000 2.665 18 F HA 0.216 4.743 4.527 -0.000 0.000 0.360 18 F C 1.324 177.174 175.800 0.083 0.000 1.168 18 F CA -0.858 57.219 58.000 0.128 0.000 1.366 18 F CB -1.231 37.818 39.000 0.082 0.000 1.592 18 F HN -0.081 nan 8.300 nan 0.000 0.610 19 G N 1.033 109.961 108.800 0.212 0.000 2.773 19 G HA2 0.284 4.244 3.960 -0.000 0.000 0.186 19 G HA3 0.284 4.244 3.960 -0.000 0.000 0.186 19 G C -1.091 173.864 174.900 0.093 0.000 1.411 19 G CA -0.257 44.919 45.100 0.128 0.000 1.054 19 G HN 0.192 nan 8.290 nan 0.000 0.579 20 P HA 0.194 nan 4.420 nan 0.000 0.218 20 P C 0.571 177.902 177.300 0.053 0.000 1.147 20 P CA 0.148 63.280 63.100 0.054 0.000 0.863 20 P CB 0.696 32.423 31.700 0.045 0.000 0.812 21 R N 0.762 121.303 120.500 0.069 0.000 3.070 21 R HA 0.324 4.664 4.340 -0.000 0.000 0.252 21 R C 0.809 177.177 176.300 0.114 0.000 1.370 21 R CA -0.204 55.943 56.100 0.080 0.000 1.482 21 R CB -0.377 29.976 30.300 0.088 0.000 1.220 21 R HN 0.302 nan 8.270 nan 0.000 0.622 22 M N 1.152 120.797 119.600 0.075 0.000 2.906 22 M HA 0.016 4.496 4.480 -0.000 0.000 0.252 22 M C 1.704 178.001 176.300 -0.004 0.000 1.359 22 M CA 0.934 56.278 55.300 0.073 0.000 1.239 22 M CB 0.081 32.683 32.600 0.003 0.000 1.229 22 M HN 0.245 nan 8.290 nan 0.000 0.547 23 K N 0.516 120.872 120.400 -0.074 0.000 2.127 23 K HA -0.303 4.017 4.320 -0.000 0.000 0.208 23 K C 1.977 178.530 176.600 -0.079 0.000 1.047 23 K CA 2.389 58.595 56.287 -0.135 0.000 0.927 23 K CB -0.230 32.210 32.500 -0.101 0.000 0.716 23 K HN 0.536 nan 8.250 nan 0.000 0.450 24 Q N -0.820 118.986 119.800 0.010 0.000 2.079 24 Q HA -0.221 4.119 4.340 -0.000 0.000 0.200 24 Q C 1.936 177.954 176.000 0.030 0.000 0.974 24 Q CA 1.550 57.384 55.803 0.051 0.000 0.840 24 Q CB -0.249 28.549 28.738 0.100 0.000 0.898 24 Q HN 0.476 nan 8.270 nan 0.000 0.430 25 Y N 0.746 121.034 120.300 -0.020 0.000 2.224 25 Y HA -0.225 4.325 4.550 -0.000 0.000 0.289 25 Y C 1.666 177.492 175.900 -0.124 0.000 1.146 25 Y CA 1.395 59.473 58.100 -0.037 0.000 1.182 25 Y CB -0.077 38.387 38.460 0.008 0.000 0.983 25 Y HN 0.123 nan 8.280 nan 0.000 0.524 26 L N -0.064 121.037 121.223 -0.204 0.000 1.948 26 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 26 L C 2.443 179.110 176.870 -0.337 0.000 1.074 26 L CA 1.976 56.634 54.840 -0.304 0.000 0.753 26 L CB -0.740 41.117 42.059 -0.337 0.000 0.888 26 L HN 0.090 nan 8.230 nan 0.000 0.432 27 K N -0.644 119.577 120.400 -0.298 0.000 2.163 27 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 27 K C 1.951 178.363 176.600 -0.314 0.000 1.048 27 K CA 2.149 58.224 56.287 -0.353 0.000 0.928 27 K CB -0.362 31.884 32.500 -0.423 0.000 0.716 27 K HN 0.392 nan 8.250 nan 0.000 0.459 28 T N 0.740 115.128 114.554 -0.277 0.000 2.737 28 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 28 T C 1.763 176.282 174.700 -0.301 0.000 1.038 28 T CA 1.323 63.276 62.100 -0.246 0.000 1.144 28 T CB -0.080 68.606 68.868 -0.303 0.000 0.866 28 T HN 0.092 nan 8.240 nan 0.000 0.434 29 K N 1.135 121.271 120.400 -0.440 0.000 2.009 29 K HA -0.014 4.306 4.320 -0.000 0.000 0.210 29 K C 2.051 178.513 176.600 -0.230 0.000 1.049 29 K CA 0.880 56.956 56.287 -0.353 0.000 0.929 29 K CB -1.044 31.226 32.500 -0.383 0.000 0.714 29 K HN 0.150 nan 8.250 nan 0.000 0.440 30 L N 0.601 121.675 121.223 -0.249 0.000 2.034 30 L HA -0.224 4.116 4.340 -0.000 0.000 0.217 30 L C 1.879 178.661 176.870 -0.147 0.000 1.077 30 L CA 1.830 56.531 54.840 -0.232 0.000 0.769 30 L CB -0.624 41.261 42.059 -0.289 0.000 0.890 30 L HN 0.243 nan 8.230 nan 0.000 0.435 31 L N -0.773 120.371 121.223 -0.132 0.000 2.141 31 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 31 L C 2.508 179.356 176.870 -0.036 0.000 1.094 31 L CA 1.692 56.499 54.840 -0.054 0.000 0.763 31 L CB -0.957 41.078 42.059 -0.038 0.000 0.908 31 L HN 0.498 nan 8.230 nan 0.000 0.437 32 E N -0.379 119.780 120.200 -0.070 0.000 2.158 32 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 32 E C 1.311 177.890 176.600 -0.035 0.000 0.982 32 E CA 0.496 56.868 56.400 -0.047 0.000 0.823 32 E CB 0.143 29.805 29.700 -0.064 0.000 0.766 32 E HN 0.492 nan 8.360 nan 0.000 0.468 33 E N 0.063 120.232 120.200 -0.052 0.000 2.463 33 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 33 E C 0.879 177.471 176.600 -0.013 0.000 1.041 33 E CA -0.126 56.251 56.400 -0.038 0.000 0.879 33 E CB 0.889 30.553 29.700 -0.060 0.000 0.997 33 E HN 0.007 nan 8.360 nan 0.000 0.478 34 V N 0.011 119.933 119.914 0.012 0.000 3.177 34 V HA -0.003 4.117 4.120 -0.000 0.000 0.219 34 V C 0.134 176.274 176.094 0.076 0.000 1.344 34 V CA -0.028 62.316 62.300 0.073 0.000 1.324 34 V CB 0.704 32.634 31.823 0.178 0.000 1.165 34 V HN 0.070 nan 8.190 nan 0.000 0.510 35 E N 1.169 121.410 120.200 0.069 0.000 2.415 35 E HA 0.365 4.715 4.350 -0.000 0.000 0.260 35 E C 1.029 177.660 176.600 0.052 0.000 1.016 35 E CA 0.920 57.360 56.400 0.067 0.000 0.924 35 E CB 0.443 30.181 29.700 0.062 0.000 0.961 35 E HN 0.608 nan 8.360 nan 0.000 0.459 36 G N 2.849 111.684 108.800 0.058 0.000 2.176 36 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.232 36 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.232 36 G C 0.495 175.386 174.900 -0.016 0.000 0.986 36 G CA 0.261 45.382 45.100 0.036 0.000 0.643 36 G HN 0.651 nan 8.290 nan 0.000 0.522 37 S N -1.345 114.352 115.700 -0.005 0.000 2.633 37 S HA 0.673 5.143 4.470 -0.000 0.000 0.257 37 S C 0.322 174.854 174.600 -0.113 0.000 1.265 37 S CA 0.165 58.345 58.200 -0.033 0.000 0.980 37 S CB 2.017 65.228 63.200 0.019 0.000 1.017 37 S HN 1.862 nan 8.310 nan 0.000 0.577 38 C N 0.951 120.183 119.300 -0.114 0.000 3.259 38 C HA 0.643 5.103 4.460 -0.000 0.000 0.431 38 C C -0.913 174.019 174.990 -0.097 0.000 0.967 38 C CA 0.357 59.257 59.018 -0.196 0.000 1.175 38 C CB 0.374 27.812 27.740 -0.502 0.000 1.566 38 C HN 1.446 nan 8.230 nan 0.000 0.615 39 T N 1.383 115.910 114.554 -0.044 0.000 2.894 39 T HA 0.580 4.930 4.350 -0.000 0.000 0.309 39 T C 0.896 175.548 174.700 -0.081 0.000 1.208 39 T CA 0.138 62.214 62.100 -0.039 0.000 1.016 39 T CB 1.360 70.242 68.868 0.024 0.000 1.192 39 T HN 1.405 nan 8.240 nan 0.000 0.491 40 G N 0.384 109.116 108.800 -0.113 0.000 2.422 40 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 40 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 40 G C 1.212 175.976 174.900 -0.225 0.000 1.140 40 G CA 0.836 45.848 45.100 -0.146 0.000 0.775 40 G HN 0.844 nan 8.290 nan 0.000 0.545 41 K N -0.437 119.776 120.400 -0.310 0.000 1.991 41 K HA -0.048 4.272 4.320 -0.000 0.000 0.212 41 K C 1.712 177.868 176.600 -0.739 0.000 1.049 41 K CA 1.475 57.399 56.287 -0.605 0.000 0.932 41 K CB -0.212 31.767 32.500 -0.869 0.000 0.717 41 K HN 0.414 nan 8.250 nan 0.000 0.441 42 F N -0.453 119.472 119.950 -0.042 0.000 2.704 42 F HA 0.287 4.814 4.527 -0.000 0.000 0.304 42 F C 1.101 176.895 175.800 -0.010 0.000 1.094 42 F CA 0.053 58.037 58.000 -0.027 0.000 1.275 42 F CB 0.903 39.904 39.000 0.001 0.000 1.073 42 F HN 0.310 nan 8.300 nan 0.000 0.586 43 G N 0.172 109.025 108.800 0.088 0.000 2.632 43 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.224 43 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.224 43 G C -0.940 174.078 174.900 0.197 0.000 1.341 43 G CA -0.969 44.187 45.100 0.092 0.000 0.880 43 G HN 0.019 nan 8.290 nan 0.000 0.566 44 Y N 0.176 120.481 120.300 0.008 0.000 2.544 44 Y HA 0.458 5.008 4.550 -0.000 0.000 0.330 44 Y C 1.404 177.372 175.900 0.113 0.000 1.136 44 Y CA -0.021 58.123 58.100 0.074 0.000 1.417 44 Y CB 0.494 39.024 38.460 0.117 0.000 1.229 44 Y HN 0.413 nan 8.280 nan 0.000 0.532 45 I N 6.142 126.834 120.570 0.203 0.000 2.306 45 I HA 0.099 4.269 4.170 -0.000 0.000 0.288 45 I C 0.470 176.675 176.117 0.147 0.000 1.036 45 I CA 0.006 61.389 61.300 0.140 0.000 1.221 45 I CB 0.828 38.876 38.000 0.079 0.000 1.385 45 I HN 0.705 nan 8.210 nan 0.000 0.472 46 L N 5.041 126.363 121.223 0.166 0.000 2.189 46 L HA 0.178 4.518 4.340 -0.000 0.000 0.199 46 L C 0.741 177.674 176.870 0.105 0.000 1.074 46 L CA 0.791 55.727 54.840 0.159 0.000 0.783 46 L CB 0.250 42.431 42.059 0.203 0.000 0.955 46 L HN 0.556 nan 8.230 nan 0.000 0.460 47 C N 0.441 119.789 119.300 0.079 0.000 2.551 47 C HA 0.550 5.010 4.460 -0.000 0.000 0.332 47 C C -0.206 174.795 174.990 0.018 0.000 1.139 47 C CA -0.926 58.125 59.018 0.055 0.000 1.328 47 C CB 1.073 28.846 27.740 0.056 0.000 1.903 47 C HN 0.030 nan 8.230 nan 0.000 0.459 48 V N 7.845 127.776 119.914 0.029 0.000 2.427 48 V HA 0.245 4.365 4.120 -0.000 0.000 0.268 48 V C 0.615 176.725 176.094 0.027 0.000 1.046 48 V CA 0.040 62.343 62.300 0.004 0.000 0.970 48 V CB 0.345 32.214 31.823 0.076 0.000 1.001 48 V HN 0.744 nan 8.190 nan 0.000 0.476 49 L N 2.816 124.036 121.223 -0.006 0.000 2.479 49 L HA 0.396 4.736 4.340 -0.000 0.000 0.249 49 L C 1.067 177.967 176.870 0.050 0.000 1.178 49 L CA -0.539 54.315 54.840 0.023 0.000 0.811 49 L CB -0.014 42.045 42.059 0.001 0.000 1.187 49 L HN 0.702 nan 8.230 nan 0.000 0.480 50 D N -0.468 119.968 120.400 0.061 0.000 2.720 50 D HA -0.316 4.324 4.640 -0.000 0.000 0.229 50 D C 0.850 177.227 176.300 0.128 0.000 1.198 50 D CA 0.836 54.882 54.000 0.076 0.000 0.639 50 D CB -0.833 39.994 40.800 0.045 0.000 1.003 50 D HN 0.595 nan 8.370 nan 0.000 0.411 51 Y N 0.147 120.451 120.300 0.008 0.000 2.132 51 Y HA -0.357 4.193 4.550 -0.000 0.000 0.280 51 Y C 1.916 177.816 175.900 -0.001 0.000 1.193 51 Y CA 2.086 60.190 58.100 0.007 0.000 1.157 51 Y CB 0.102 38.563 38.460 0.001 0.000 0.966 51 Y HN 0.201 nan 8.280 nan 0.000 0.511 52 D N 0.195 120.787 120.400 0.320 0.000 2.088 52 D HA -0.211 4.429 4.640 -0.000 0.000 0.191 52 D C 0.588 176.956 176.300 0.114 0.000 0.992 52 D CA 1.700 55.826 54.000 0.210 0.000 0.831 52 D CB -0.668 40.193 40.800 0.102 0.000 0.973 52 D HN 0.526 nan 8.370 nan 0.000 0.447 53 N N 0.823 119.565 118.700 0.070 0.000 2.878 53 N HA 0.107 4.847 4.740 -0.000 0.000 0.282 53 N C -0.215 175.303 175.510 0.014 0.000 1.284 53 N CA -0.242 52.829 53.050 0.035 0.000 1.053 53 N CB 0.311 38.814 38.487 0.028 0.000 1.382 53 N HN 0.193 nan 8.380 nan 0.000 0.529 54 I N 0.744 121.309 120.570 -0.008 0.000 2.517 54 I HA -0.029 4.141 4.170 -0.000 0.000 0.285 54 I C 0.716 176.801 176.117 -0.054 0.000 1.106 54 I CA -0.121 61.151 61.300 -0.047 0.000 1.402 54 I CB 0.280 38.200 38.000 -0.133 0.000 1.399 54 I HN 0.119 nan 8.210 nan 0.000 0.535 55 D N 6.565 126.944 120.400 -0.036 0.000 2.425 55 D HA 0.093 4.733 4.640 -0.000 0.000 0.247 55 D C 0.413 176.673 176.300 -0.066 0.000 1.147 55 D CA 0.462 54.441 54.000 -0.036 0.000 0.879 55 D CB 1.410 42.202 40.800 -0.012 0.000 1.179 55 D HN 0.508 nan 8.370 nan 0.000 0.456 56 I N 1.779 122.306 120.570 -0.071 0.000 3.971 56 I HA 0.005 4.175 4.170 -0.000 0.000 0.303 56 I C 0.203 176.311 176.117 -0.015 0.000 1.233 56 I CA 0.063 61.301 61.300 -0.104 0.000 1.346 56 I CB 0.096 37.974 38.000 -0.204 0.000 1.273 56 I HN 0.535 nan 8.210 nan 0.000 0.448 57 Q N 1.296 121.100 119.800 0.007 0.000 2.873 57 Q HA -0.190 4.150 4.340 -0.000 0.000 0.029 57 Q C -0.408 175.668 176.000 0.127 0.000 1.603 57 Q CA 0.623 56.457 55.803 0.052 0.000 0.223 57 Q CB -0.370 28.399 28.738 0.052 0.000 2.716 57 Q HN 0.385 nan 8.270 nan 0.000 0.315 58 R N 0.434 121.000 120.500 0.110 0.000 2.401 58 R HA 0.308 4.648 4.340 -0.000 0.000 0.299 58 R C 0.451 176.834 176.300 0.138 0.000 1.064 58 R CA 0.601 56.784 56.100 0.138 0.000 1.000 58 R CB 0.532 30.872 30.300 0.065 0.000 0.973 58 R HN 0.510 nan 8.270 nan 0.000 0.438 59 G N 2.543 111.435 108.800 0.154 0.000 2.400 59 G HA2 0.272 4.232 3.960 -0.000 0.000 0.301 59 G HA3 0.272 4.232 3.960 -0.000 0.000 0.301 59 G C -0.432 174.246 174.900 -0.369 0.000 1.154 59 G CA -0.747 44.094 45.100 -0.430 0.000 0.852 59 G HN 0.632 nan 8.290 nan 0.000 0.511 60 R N 1.217 121.543 120.500 -0.291 0.000 2.573 60 R HA 0.535 4.875 4.340 -0.000 0.000 0.272 60 R C -0.595 175.601 176.300 -0.173 0.000 1.009 60 R CA -0.871 55.129 56.100 -0.167 0.000 1.059 60 R CB 1.209 31.451 30.300 -0.096 0.000 1.112 60 R HN 0.311 nan 8.270 nan 0.000 0.517 61 I N 3.786 124.307 120.570 -0.080 0.000 2.312 61 I HA 0.084 4.254 4.170 -0.000 0.000 0.291 61 I C 0.722 176.820 176.117 -0.032 0.000 1.031 61 I CA -0.803 60.479 61.300 -0.031 0.000 1.293 61 I CB 1.170 39.180 38.000 0.018 0.000 1.403 61 I HN 0.513 nan 8.210 nan 0.000 0.484 62 L N 9.479 130.684 121.223 -0.031 0.000 2.477 62 L HA -0.027 4.313 4.340 -0.000 0.000 0.289 62 L C -1.153 175.704 176.870 -0.021 0.000 1.279 62 L CA 0.429 55.254 54.840 -0.025 0.000 0.825 62 L CB -0.123 41.927 42.059 -0.014 0.000 1.085 62 L HN 0.485 nan 8.230 nan 0.000 0.548 63 P HA 0.100 nan 4.420 nan 0.000 0.286 63 P C 0.921 178.209 177.300 -0.020 0.000 1.269 63 P CA 0.197 63.286 63.100 -0.019 0.000 0.908 63 P CB 0.945 32.635 31.700 -0.016 0.000 1.395 64 T N 0.035 114.579 114.554 -0.017 0.000 3.010 64 T HA 0.036 4.386 4.350 -0.000 0.000 0.252 64 T C 0.807 175.494 174.700 -0.021 0.000 1.047 64 T CA 0.757 62.848 62.100 -0.016 0.000 1.140 64 T CB -0.253 68.609 68.868 -0.009 0.000 0.885 64 T HN 0.313 nan 8.240 nan 0.000 0.464 65 D N 0.033 120.421 120.400 -0.020 0.000 2.549 65 D HA 0.346 4.986 4.640 -0.000 0.000 0.270 65 D C 0.878 177.144 176.300 -0.056 0.000 1.181 65 D CA -0.532 53.450 54.000 -0.029 0.000 1.070 65 D CB 1.304 42.101 40.800 -0.004 0.000 1.154 65 D HN 0.169 nan 8.370 nan 0.000 0.602 66 G N -0.713 108.024 108.800 -0.106 0.000 3.126 66 G HA2 0.082 4.042 3.960 -0.000 0.000 0.224 66 G HA3 0.082 4.042 3.960 -0.000 0.000 0.224 66 G C 0.505 175.331 174.900 -0.124 0.000 1.142 66 G CA -0.260 44.748 45.100 -0.153 0.000 0.759 66 G HN 0.393 nan 8.290 nan 0.000 0.550 67 S N -0.017 115.658 115.700 -0.042 0.000 2.572 67 S HA 0.454 4.924 4.470 -0.000 0.000 0.262 67 S C 0.518 175.214 174.600 0.160 0.000 1.375 67 S CA 0.492 58.755 58.200 0.104 0.000 0.996 67 S CB 0.931 64.194 63.200 0.106 0.000 0.892 67 S HN 0.671 nan 8.310 nan 0.000 0.562 68 A N 0.756 123.688 122.820 0.186 0.000 2.413 68 A HA 0.683 5.003 4.320 -0.000 0.000 0.307 68 A C -0.621 176.774 177.584 -0.316 0.000 1.087 68 A CA -0.630 51.340 52.037 -0.110 0.000 0.750 68 A CB 1.232 20.067 19.000 -0.277 0.000 1.296 68 A HN 0.753 nan 8.150 nan 0.000 0.423 69 E N 1.557 121.480 120.200 -0.463 0.000 2.220 69 E HA 0.568 4.918 4.350 -0.000 0.000 0.256 69 E C -1.843 174.501 176.600 -0.426 0.000 0.881 69 E CA -0.310 55.896 56.400 -0.323 0.000 0.766 69 E CB 0.721 30.336 29.700 -0.143 0.000 1.187 69 E HN 0.460 nan 8.360 nan 0.000 0.419 70 F N 2.566 122.485 119.950 -0.052 0.000 2.450 70 F HA 0.322 4.849 4.527 -0.000 0.000 0.332 70 F C 0.515 176.271 175.800 -0.075 0.000 1.093 70 F CA -1.191 56.769 58.000 -0.066 0.000 1.003 70 F CB 1.085 40.033 39.000 -0.087 0.000 1.151 70 F HN 0.388 nan 8.300 nan 0.000 0.474 71 N N 1.780 120.550 118.700 0.116 0.000 2.558 71 N HA 0.305 5.045 4.740 -0.000 0.000 0.233 71 N C -1.469 174.040 175.510 -0.002 0.000 1.038 71 N CA -0.269 52.798 53.050 0.028 0.000 0.934 71 N CB 0.671 39.165 38.487 0.010 0.000 1.175 71 N HN 0.383 nan 8.380 nan 0.000 0.512 72 V N 4.079 123.954 119.914 -0.065 0.000 2.415 72 V HA 0.081 4.201 4.120 -0.000 0.000 0.267 72 V C 0.691 176.688 176.094 -0.162 0.000 1.042 72 V CA -0.161 62.054 62.300 -0.141 0.000 1.000 72 V CB 0.037 31.715 31.823 -0.242 0.000 1.015 72 V HN 0.562 nan 8.190 nan 0.000 0.478 73 K N 6.468 126.821 120.400 -0.079 0.000 2.263 73 K HA 0.390 4.710 4.320 -0.000 0.000 0.282 73 K C -0.322 176.320 176.600 0.071 0.000 1.089 73 K CA -0.196 56.088 56.287 -0.006 0.000 0.907 73 K CB 0.592 33.100 32.500 0.012 0.000 1.148 73 K HN 0.818 nan 8.250 nan 0.000 0.470 74 Y N 0.552 120.806 120.300 -0.077 0.000 2.876 74 Y HA 0.667 5.217 4.550 -0.000 0.000 0.318 74 Y C -0.616 175.246 175.900 -0.064 0.000 1.275 74 Y CA -1.766 56.287 58.100 -0.078 0.000 1.144 74 Y CB 1.404 39.805 38.460 -0.099 0.000 1.376 74 Y HN 0.333 nan 8.280 nan 0.000 0.589 75 R N 1.401 121.834 120.500 -0.112 0.000 2.535 75 R HA 0.753 5.093 4.340 -0.000 0.000 0.274 75 R C -2.306 173.796 176.300 -0.329 0.000 1.090 75 R CA -0.347 55.611 56.100 -0.237 0.000 0.930 75 R CB 2.039 32.297 30.300 -0.071 0.000 1.223 75 R HN 1.098 nan 8.270 nan 0.000 0.441 76 A N 2.752 125.359 122.820 -0.354 0.000 2.583 76 A HA 0.603 4.923 4.320 -0.000 0.000 0.289 76 A C -1.450 176.088 177.584 -0.077 0.000 1.151 76 A CA -0.655 51.239 52.037 -0.238 0.000 0.695 76 A CB 2.009 20.789 19.000 -0.367 0.000 1.290 76 A HN 0.364 nan 8.150 nan 0.000 0.419 77 V N 1.666 121.582 119.914 0.002 0.000 2.368 77 V HA 0.472 4.592 4.120 -0.000 0.000 0.266 77 V C 0.060 176.257 176.094 0.173 0.000 1.045 77 V CA 0.064 62.429 62.300 0.110 0.000 0.899 77 V CB 0.580 32.473 31.823 0.116 0.000 1.006 77 V HN 1.055 nan 8.190 nan 0.000 0.470 78 V N 3.168 123.226 119.914 0.242 0.000 3.019 78 V HA 0.746 4.865 4.120 -0.000 0.000 0.317 78 V C -0.977 175.331 176.094 0.358 0.000 1.094 78 V CA -0.958 61.513 62.300 0.285 0.000 1.000 78 V CB 2.173 34.149 31.823 0.255 0.000 1.060 78 V HN 0.587 nan 8.190 nan 0.000 0.443 79 F N 2.316 122.305 119.950 0.065 0.000 2.716 79 F HA 0.618 5.145 4.527 -0.000 0.000 0.354 79 F C -0.503 175.258 175.800 -0.065 0.000 1.168 79 F CA -1.069 56.809 58.000 -0.205 0.000 1.045 79 F CB 1.217 39.828 39.000 -0.649 0.000 1.311 79 F HN 0.766 nan 8.300 nan 0.000 0.477 80 K N 8.761 129.034 120.400 -0.212 0.000 2.367 80 K HA 0.513 4.833 4.320 -0.000 0.000 0.263 80 K C -2.907 173.329 176.600 -0.606 0.000 1.000 80 K CA -2.100 53.940 56.287 -0.413 0.000 0.891 80 K CB 1.534 33.911 32.500 -0.206 0.000 1.117 80 K HN 0.294 nan 8.250 nan 0.000 0.443 81 P HA 0.194 nan 4.420 nan 0.000 0.274 81 P C -0.993 176.012 177.300 -0.493 0.000 1.246 81 P CA -0.227 62.591 63.100 -0.470 0.000 0.795 81 P CB 0.636 32.070 31.700 -0.445 0.000 1.006 82 F N -1.077 118.836 119.950 -0.063 0.000 2.640 82 F HA 0.469 4.996 4.527 -0.000 0.000 0.324 82 F C 0.928 176.722 175.800 -0.010 0.000 1.077 82 F CA -1.136 56.851 58.000 -0.021 0.000 0.965 82 F CB 1.379 40.389 39.000 0.017 0.000 1.351 82 F HN 0.172 nan 8.300 nan 0.000 0.487 83 K N 0.214 120.733 120.400 0.199 0.000 2.326 83 K HA 0.458 4.778 4.320 -0.000 0.000 0.275 83 K C 0.923 177.593 176.600 0.117 0.000 1.018 83 K CA 0.832 57.186 56.287 0.112 0.000 0.962 83 K CB 0.543 33.089 32.500 0.077 0.000 0.953 83 K HN 0.897 nan 8.250 nan 0.000 0.475 84 G N 1.925 110.771 108.800 0.077 0.000 2.184 84 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.264 84 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.264 84 G C -0.084 174.853 174.900 0.062 0.000 0.975 84 G CA 0.491 45.626 45.100 0.059 0.000 0.642 84 G HN 0.695 nan 8.290 nan 0.000 0.536 85 E N 0.433 120.689 120.200 0.094 0.000 2.259 85 E HA 0.463 4.813 4.350 -0.000 0.000 0.281 85 E C 0.045 176.692 176.600 0.079 0.000 1.027 85 E CA -0.552 55.904 56.400 0.093 0.000 0.838 85 E CB 1.127 30.924 29.700 0.161 0.000 1.066 85 E HN 0.124 nan 8.360 nan 0.000 0.401 86 V N 5.348 125.299 119.914 0.061 0.000 2.406 86 V HA 0.293 4.413 4.120 -0.000 0.000 0.272 86 V C 0.027 176.160 176.094 0.066 0.000 1.043 86 V CA -0.499 61.835 62.300 0.056 0.000 0.915 86 V CB 0.850 32.697 31.823 0.040 0.000 0.988 86 V HN 0.492 nan 8.190 nan 0.000 0.466 87 V N 1.472 121.429 119.914 0.072 0.000 2.808 87 V HA 0.771 4.891 4.120 -0.000 0.000 0.308 87 V C -1.372 174.761 176.094 0.064 0.000 1.099 87 V CA -0.955 61.391 62.300 0.077 0.000 0.920 87 V CB 2.335 34.225 31.823 0.112 0.000 1.014 87 V HN 0.808 nan 8.190 nan 0.000 0.425 88 D N 2.222 122.652 120.400 0.051 0.000 2.278 88 D HA 0.832 5.472 4.640 -0.000 0.000 0.245 88 D C 0.207 176.527 176.300 0.034 0.000 1.052 88 D CA -0.186 53.839 54.000 0.042 0.000 0.834 88 D CB 1.858 42.676 40.800 0.031 0.000 1.194 88 D HN 1.081 nan 8.370 nan 0.000 0.481 89 G N 0.060 108.882 108.800 0.036 0.000 2.827 89 G HA2 0.579 4.539 3.960 -0.000 0.000 0.296 89 G HA3 0.579 4.539 3.960 -0.000 0.000 0.296 89 G C -0.921 173.993 174.900 0.023 0.000 1.362 89 G CA -0.787 44.329 45.100 0.027 0.000 0.809 89 G HN 0.425 nan 8.290 nan 0.000 0.522 90 T N 0.029 114.594 114.554 0.018 0.000 2.934 90 T HA 0.532 4.882 4.350 -0.000 0.000 0.283 90 T C 0.520 175.233 174.700 0.022 0.000 1.005 90 T CA -0.294 61.811 62.100 0.008 0.000 1.041 90 T CB 1.793 70.663 68.868 0.004 0.000 1.042 90 T HN 0.354 nan 8.240 nan 0.000 0.505 91 V N 2.201 122.110 119.914 -0.008 0.000 3.185 91 V HA 0.215 4.335 4.120 -0.000 0.000 0.305 91 V C 0.802 176.921 176.094 0.042 0.000 1.090 91 V CA 0.148 62.450 62.300 0.003 0.000 1.107 91 V CB 1.299 33.058 31.823 -0.105 0.000 1.061 91 V HN 0.833 nan 8.190 nan 0.000 0.480 92 V N 0.236 120.203 119.914 0.088 0.000 3.889 92 V HA 0.181 4.301 4.120 -0.000 0.000 0.184 92 V C 0.402 176.562 176.094 0.110 0.000 1.311 92 V CA 0.701 63.054 62.300 0.088 0.000 1.277 92 V CB 0.794 32.674 31.823 0.095 0.000 1.364 92 V HN 0.855 nan 8.190 nan 0.000 0.567 93 S N -0.410 115.386 115.700 0.160 0.000 2.648 93 S HA 0.747 5.217 4.470 -0.000 0.000 0.305 93 S C -0.836 173.916 174.600 0.254 0.000 1.094 93 S CA -0.486 57.820 58.200 0.176 0.000 0.983 93 S CB 2.163 65.460 63.200 0.160 0.000 1.101 93 S HN 0.715 nan 8.310 nan 0.000 0.514 94 C N 1.972 121.424 119.300 0.253 0.000 2.871 94 C HA 0.812 5.272 4.460 -0.000 0.000 0.378 94 C C -0.052 175.111 174.990 0.289 0.000 1.052 94 C CA 0.366 59.590 59.018 0.343 0.000 1.250 94 C CB 0.475 28.428 27.740 0.356 0.000 1.689 94 C HN 1.349 nan 8.230 nan 0.000 0.506 95 S N 3.901 119.749 115.700 0.246 0.000 3.081 95 S HA 0.465 4.935 4.470 -0.000 0.000 0.316 95 S C 0.707 175.069 174.600 -0.396 0.000 1.089 95 S CA 0.168 58.399 58.200 0.051 0.000 0.897 95 S CB 1.013 64.251 63.200 0.064 0.000 1.358 95 S HN 0.972 nan 8.310 nan 0.000 0.678 96 Q N -0.270 119.169 119.800 -0.601 0.000 2.389 96 Q HA 0.082 4.422 4.340 -0.000 0.000 0.204 96 Q C 0.961 176.582 176.000 -0.632 0.000 0.944 96 Q CA 0.816 55.970 55.803 -1.081 0.000 0.908 96 Q CB -0.449 27.947 28.738 -0.569 0.000 1.002 96 Q HN 0.793 nan 8.270 nan 0.000 0.493 97 H N -0.014 119.009 119.070 -0.078 0.000 2.595 97 H HA 0.410 4.966 4.556 -0.000 0.000 0.265 97 H C 0.913 176.291 175.328 0.083 0.000 0.953 97 H CA 1.060 57.155 56.048 0.079 0.000 1.197 97 H CB 1.312 31.172 29.762 0.164 0.000 1.438 97 H HN 0.441 nan 8.280 nan 0.000 0.531 98 G N 0.561 109.451 108.800 0.150 0.000 2.351 98 G HA2 0.259 4.219 3.960 -0.000 0.000 0.279 98 G HA3 0.259 4.219 3.960 -0.000 0.000 0.279 98 G C -1.877 173.052 174.900 0.048 0.000 1.297 98 G CA -0.498 44.456 45.100 -0.242 0.000 0.886 98 G HN 0.167 nan 8.290 nan 0.000 0.493 99 F N -0.974 118.884 119.950 -0.152 0.000 2.619 99 F HA 0.863 5.390 4.527 -0.000 0.000 0.308 99 F C -0.744 175.127 175.800 0.118 0.000 1.097 99 F CA -1.472 56.566 58.000 0.063 0.000 0.953 99 F CB 1.578 40.551 39.000 -0.045 0.000 1.287 99 F HN 0.496 nan 8.300 nan 0.000 0.446 100 E N 1.891 122.396 120.200 0.509 0.000 2.175 100 E HA 0.575 4.925 4.350 -0.000 0.000 0.278 100 E C -1.118 175.682 176.600 0.334 0.000 0.969 100 E CA -0.991 55.658 56.400 0.414 0.000 0.796 100 E CB 2.711 32.617 29.700 0.344 0.000 1.104 100 E HN 0.528 nan 8.360 nan 0.000 0.395 101 V N 2.646 122.721 119.914 0.269 0.000 2.834 101 V HA 0.194 4.314 4.120 -0.000 0.000 0.313 101 V C -0.399 175.763 176.094 0.114 0.000 1.060 101 V CA -0.470 61.942 62.300 0.187 0.000 0.989 101 V CB 1.903 33.836 31.823 0.183 0.000 1.041 101 V HN 0.649 nan 8.190 nan 0.000 0.459 102 Q N 2.172 122.016 119.800 0.073 0.000 2.401 102 Q HA 0.490 4.830 4.340 -0.000 0.000 0.260 102 Q C -1.671 174.345 176.000 0.026 0.000 1.034 102 Q CA -0.384 55.443 55.803 0.041 0.000 0.737 102 Q CB 1.640 30.398 28.738 0.033 0.000 1.227 102 Q HN 0.568 nan 8.270 nan 0.000 0.488 103 V N 4.946 124.878 119.914 0.030 0.000 2.304 103 V HA 0.566 4.686 4.120 -0.000 0.000 0.262 103 V C 1.010 177.078 176.094 -0.044 0.000 1.061 103 V CA 0.466 62.779 62.300 0.021 0.000 0.872 103 V CB -0.202 31.676 31.823 0.091 0.000 1.077 103 V HN 1.039 nan 8.190 nan 0.000 0.480 104 G N 7.415 116.159 108.800 -0.093 0.000 2.552 104 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.265 104 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.265 104 G C -0.782 174.063 174.900 -0.092 0.000 1.234 104 G CA 0.171 45.176 45.100 -0.158 0.000 0.944 104 G HN 0.567 nan 8.290 nan 0.000 0.568 105 P HA -0.037 nan 4.420 nan 0.000 0.225 105 P C 1.150 178.380 177.300 -0.117 0.000 1.148 105 P CA 1.640 64.699 63.100 -0.068 0.000 0.779 105 P CB 0.107 31.753 31.700 -0.090 0.000 0.780 106 M N -0.161 119.343 119.600 -0.160 0.000 2.368 106 M HA 0.310 4.790 4.480 -0.000 0.000 0.311 106 M C -0.356 175.897 176.300 -0.078 0.000 1.168 106 M CA -0.225 54.992 55.300 -0.138 0.000 1.044 106 M CB 1.283 33.810 32.600 -0.122 0.000 1.506 106 M HN -0.348 nan 8.290 nan 0.000 0.475 107 K N 1.962 122.262 120.400 -0.167 0.000 2.397 107 K HA 0.589 4.909 4.320 -0.000 0.000 0.253 107 K C -1.811 174.678 176.600 -0.186 0.000 0.932 107 K CA -0.732 55.451 56.287 -0.174 0.000 0.795 107 K CB 2.429 34.775 32.500 -0.257 0.000 1.159 107 K HN 0.487 nan 8.250 nan 0.000 0.424 108 V N 3.728 123.666 119.914 0.040 0.000 2.555 108 V HA 0.428 4.548 4.120 -0.000 0.000 0.302 108 V C -0.882 175.370 176.094 0.264 0.000 1.038 108 V CA -0.911 61.481 62.300 0.154 0.000 0.887 108 V CB 1.400 33.282 31.823 0.099 0.000 0.991 108 V HN 0.599 nan 8.190 nan 0.000 0.434 109 F N 4.552 124.577 119.950 0.125 0.000 2.436 109 F HA 0.707 5.234 4.527 -0.000 0.000 0.340 109 F C -0.293 175.409 175.800 -0.163 0.000 1.113 109 F CA -0.762 57.239 58.000 0.002 0.000 1.022 109 F CB 1.682 40.684 39.000 0.003 0.000 1.128 109 F HN 0.227 nan 8.300 nan 0.000 0.466 110 V N 5.284 124.461 119.914 -1.228 0.000 2.334 110 V HA 0.223 4.343 4.120 -0.000 0.000 0.281 110 V C 0.048 175.112 176.094 -1.718 0.000 1.016 110 V CA -0.639 60.900 62.300 -1.268 0.000 0.832 110 V CB 1.212 32.205 31.823 -1.384 0.000 0.999 110 V HN 0.835 nan 8.190 nan 0.000 0.439 111 T N 4.933 118.774 114.554 -1.188 0.000 2.729 111 T HA 0.221 4.571 4.350 -0.000 0.000 0.296 111 T C 1.091 175.287 174.700 -0.840 0.000 0.928 111 T CA -0.333 61.224 62.100 -0.904 0.000 1.045 111 T CB 0.342 68.943 68.868 -0.446 0.000 0.902 111 T HN 0.825 nan 8.240 nan 0.000 0.500 112 K N 4.324 124.345 120.400 -0.632 0.000 2.200 112 K HA -0.314 4.006 4.320 -0.000 0.000 0.206 112 K C 1.543 177.951 176.600 -0.321 0.000 0.782 112 K CA 3.035 59.112 56.287 -0.349 0.000 1.047 112 K CB -1.116 31.383 32.500 -0.001 0.000 0.989 112 K HN 0.926 nan 8.250 nan 0.000 0.595 113 H N -0.578 118.470 119.070 -0.036 0.000 2.568 113 H HA 0.033 4.589 4.556 -0.000 0.000 0.275 113 H C 1.326 176.622 175.328 -0.052 0.000 1.028 113 H CA 1.005 57.041 56.048 -0.019 0.000 1.173 113 H CB -0.159 29.605 29.762 0.003 0.000 1.335 113 H HN 0.227 nan 8.280 nan 0.000 0.614 114 L N -0.062 120.982 121.223 -0.298 0.000 2.693 114 L HA 0.275 4.615 4.340 -0.000 0.000 0.235 114 L C 0.763 177.520 176.870 -0.188 0.000 1.127 114 L CA 0.118 54.831 54.840 -0.212 0.000 0.914 114 L CB 0.164 42.050 42.059 -0.289 0.000 1.193 114 L HN 0.103 nan 8.230 nan 0.000 0.502 115 M N -0.043 119.445 119.600 -0.187 0.000 2.248 115 M HA 0.365 4.845 4.480 -0.000 0.000 0.215 115 M C -2.033 174.248 176.300 -0.032 0.000 1.103 115 M CA -1.548 53.681 55.300 -0.118 0.000 1.154 115 M CB 0.282 32.809 32.600 -0.122 0.000 1.218 115 M HN -0.215 nan 8.290 nan 0.000 0.623 116 P HA 0.208 nan 4.420 nan 0.000 0.281 116 P C -0.994 176.337 177.300 0.051 0.000 1.281 116 P CA -0.234 62.882 63.100 0.027 0.000 0.811 116 P CB 0.785 32.503 31.700 0.030 0.000 1.154 117 Q N 0.134 119.963 119.800 0.049 0.000 2.033 117 Q HA -0.112 4.228 4.340 -0.000 0.000 0.196 117 Q C 1.716 177.757 176.000 0.068 0.000 0.970 117 Q CA 1.456 57.296 55.803 0.061 0.000 0.828 117 Q CB -0.582 28.184 28.738 0.047 0.000 0.895 117 Q HN 0.581 nan 8.270 nan 0.000 0.440 118 D N 0.986 121.418 120.400 0.053 0.000 2.354 118 D HA -0.164 4.476 4.640 -0.000 0.000 0.216 118 D C 0.223 176.564 176.300 0.069 0.000 0.970 118 D CA 0.411 54.441 54.000 0.050 0.000 0.905 118 D CB 0.015 40.836 40.800 0.034 0.000 0.903 118 D HN 0.075 nan 8.370 nan 0.000 0.508 119 L N 1.322 122.601 121.223 0.094 0.000 2.264 119 L HA 0.329 4.669 4.340 -0.000 0.000 0.289 119 L C 0.134 177.120 176.870 0.192 0.000 1.044 119 L CA -0.309 54.615 54.840 0.140 0.000 0.807 119 L CB 1.045 43.197 42.059 0.154 0.000 1.192 119 L HN -0.131 nan 8.230 nan 0.000 0.425 120 T N 3.852 118.511 114.554 0.176 0.000 2.867 120 T HA 0.470 4.820 4.350 -0.000 0.000 0.286 120 T C -0.817 174.011 174.700 0.213 0.000 1.022 120 T CA -0.364 61.835 62.100 0.165 0.000 0.933 120 T CB 0.546 69.450 68.868 0.061 0.000 1.280 120 T HN 0.397 nan 8.240 nan 0.000 0.566 121 F N 2.840 122.707 119.950 -0.140 0.000 2.500 121 F HA 0.509 5.036 4.527 -0.000 0.000 0.349 121 F C -0.567 175.002 175.800 -0.386 0.000 1.127 121 F CA -1.597 56.049 58.000 -0.589 0.000 0.998 121 F CB 0.496 39.161 39.000 -0.559 0.000 1.237 121 F HN 0.469 nan 8.300 nan 0.000 0.439 122 N N 4.750 122.975 118.700 -0.792 0.000 2.415 122 N HA 0.345 5.085 4.740 -0.000 0.000 0.250 122 N C 0.550 175.368 175.510 -1.153 0.000 1.127 122 N CA 0.592 53.204 53.050 -0.729 0.000 0.945 122 N CB 1.376 39.663 38.487 -0.333 0.000 1.196 122 N HN 0.762 nan 8.380 nan 0.000 0.499 123 A N 3.011 125.071 122.820 -1.267 0.000 1.874 123 A HA 0.132 4.452 4.320 -0.000 0.000 0.214 123 A C 1.498 178.862 177.584 -0.367 0.000 1.189 123 A CA 1.037 52.519 52.037 -0.925 0.000 0.615 123 A CB -0.783 17.877 19.000 -0.566 0.000 0.830 123 A HN 0.599 nan 8.150 nan 0.000 0.443 124 G N 0.865 109.488 108.800 -0.294 0.000 3.325 124 G HA2 0.361 4.321 3.960 -0.000 0.000 0.242 124 G HA3 0.361 4.321 3.960 -0.000 0.000 0.242 124 G C 0.377 175.196 174.900 -0.135 0.000 1.120 124 G CA 0.658 45.660 45.100 -0.163 0.000 1.778 124 G HN 0.732 nan 8.290 nan 0.000 0.610 125 S N -0.942 114.676 115.700 -0.137 0.000 2.709 125 S HA 0.681 5.151 4.470 -0.000 0.000 0.302 125 S C -0.752 173.826 174.600 -0.037 0.000 1.127 125 S CA -1.116 57.032 58.200 -0.086 0.000 0.905 125 S CB 2.538 65.678 63.200 -0.100 0.000 1.151 125 S HN 0.297 nan 8.310 nan 0.000 0.510 126 N N 0.867 119.557 118.700 -0.016 0.000 2.777 126 N HA 0.277 5.017 4.740 -0.000 0.000 0.260 126 N C -3.104 172.411 175.510 0.008 0.000 1.113 126 N CA -0.897 52.157 53.050 0.005 0.000 0.996 126 N CB 1.251 39.739 38.487 0.003 0.000 1.584 126 N HN 0.725 nan 8.380 nan 0.000 0.573 127 P HA 0.302 nan 4.420 nan 0.000 0.271 127 P C -2.772 174.562 177.300 0.056 0.000 1.216 127 P CA -0.734 62.390 63.100 0.040 0.000 0.771 127 P CB 0.099 31.824 31.700 0.042 0.000 0.864 128 P HA -0.112 nan 4.420 nan 0.000 0.262 128 P C 0.255 177.658 177.300 0.172 0.000 1.151 128 P CA 0.998 64.175 63.100 0.128 0.000 0.757 128 P CB 0.176 32.006 31.700 0.216 0.000 0.754 129 S N 2.451 118.229 115.700 0.129 0.000 2.998 129 S HA 0.726 5.196 4.470 -0.000 0.000 0.323 129 S C -1.495 173.221 174.600 0.194 0.000 1.141 129 S CA -0.533 57.783 58.200 0.193 0.000 0.873 129 S CB 1.090 64.337 63.200 0.078 0.000 1.315 129 S HN 0.263 nan 8.310 nan 0.000 0.637 130 Y N 0.371 120.749 120.300 0.129 0.000 2.479 130 Y HA 0.512 5.062 4.550 -0.000 0.000 0.338 130 Y C -0.712 175.229 175.900 0.069 0.000 1.055 130 Y CA -0.561 57.639 58.100 0.165 0.000 1.023 130 Y CB 2.346 40.938 38.460 0.219 0.000 1.287 130 Y HN 0.671 nan 8.280 nan 0.000 0.447 131 Q N 1.657 121.540 119.800 0.137 0.000 2.340 131 Q HA 0.663 5.003 4.340 -0.000 0.000 0.268 131 Q C -1.001 175.049 176.000 0.084 0.000 1.031 131 Q CA -0.949 54.901 55.803 0.078 0.000 0.804 131 Q CB 2.946 31.692 28.738 0.013 0.000 1.286 131 Q HN 0.571 nan 8.270 nan 0.000 0.448 132 S N 0.303 116.043 115.700 0.066 0.000 2.648 132 S HA 0.317 4.787 4.470 -0.000 0.000 0.305 132 S C 0.860 175.478 174.600 0.030 0.000 1.094 132 S CA -0.430 57.802 58.200 0.054 0.000 0.983 132 S CB 1.537 64.768 63.200 0.053 0.000 1.101 132 S HN 0.661 nan 8.310 nan 0.000 0.514 133 S N 1.897 117.611 115.700 0.023 0.000 2.372 133 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 133 S C 1.600 176.206 174.600 0.010 0.000 1.044 133 S CA 2.205 60.413 58.200 0.013 0.000 1.050 133 S CB -0.505 62.701 63.200 0.010 0.000 0.901 133 S HN 0.864 nan 8.310 nan 0.000 0.447 134 E N 0.569 120.776 120.200 0.011 0.000 2.152 134 E HA 0.109 4.459 4.350 -0.000 0.000 0.195 134 E C -0.124 176.481 176.600 0.009 0.000 0.934 134 E CA 0.077 56.481 56.400 0.007 0.000 0.869 134 E CB -0.198 29.503 29.700 0.002 0.000 0.842 134 E HN 0.290 nan 8.360 nan 0.000 0.472 135 D N 1.181 121.590 120.400 0.015 0.000 2.398 135 D HA 0.289 4.929 4.640 -0.000 0.000 0.247 135 D C -0.392 175.922 176.300 0.023 0.000 1.227 135 D CA -0.200 53.809 54.000 0.015 0.000 0.980 135 D CB 2.315 43.125 40.800 0.017 0.000 1.106 135 D HN -0.062 nan 8.370 nan 0.000 0.493 136 V N 1.689 121.613 119.914 0.016 0.000 2.675 136 V HA 0.186 4.306 4.120 -0.000 0.000 0.266 136 V C -0.128 175.969 176.094 0.004 0.000 0.974 136 V CA -0.523 61.791 62.300 0.023 0.000 0.890 136 V CB 0.856 32.685 31.823 0.010 0.000 1.055 136 V HN 0.349 nan 8.190 nan 0.000 0.477 137 I N 3.675 124.250 120.570 0.009 0.000 2.365 137 I HA 0.750 4.920 4.170 -0.000 0.000 0.291 137 I C 0.393 176.469 176.117 -0.068 0.000 1.004 137 I CA 0.439 61.683 61.300 -0.094 0.000 1.311 137 I CB 1.690 39.548 38.000 -0.237 0.000 1.401 137 I HN 0.582 nan 8.210 nan 0.000 0.491 138 T N 4.625 119.107 114.554 -0.121 0.000 2.722 138 T HA 0.158 4.508 4.350 -0.000 0.000 0.314 138 T C 0.790 175.455 174.700 -0.059 0.000 1.675 138 T CA -0.689 61.380 62.100 -0.052 0.000 1.003 138 T CB 1.262 70.138 68.868 0.013 0.000 1.602 138 T HN 0.665 nan 8.240 nan 0.000 0.496 139 I N 0.472 121.038 120.570 -0.005 0.000 2.914 139 I HA -0.448 3.722 4.170 -0.000 0.000 0.228 139 I C 1.210 177.323 176.117 -0.007 0.000 0.815 139 I CA 2.234 63.541 61.300 0.011 0.000 1.240 139 I CB -0.081 37.934 38.000 0.025 0.000 0.967 139 I HN 0.666 nan 8.210 nan 0.000 0.385 140 K N -0.358 120.027 120.400 -0.025 0.000 2.477 140 K HA 0.221 4.541 4.320 -0.000 0.000 0.208 140 K C 0.300 176.876 176.600 -0.041 0.000 1.117 140 K CA 0.076 56.349 56.287 -0.024 0.000 1.039 140 K CB 0.890 33.383 32.500 -0.011 0.000 0.937 140 K HN 0.181 nan 8.250 nan 0.000 0.570 141 S N 2.180 117.837 115.700 -0.071 0.000 2.558 141 S HA 0.058 4.528 4.470 -0.000 0.000 0.291 141 S C 0.222 174.778 174.600 -0.073 0.000 1.306 141 S CA 0.135 58.285 58.200 -0.083 0.000 1.056 141 S CB 0.479 63.598 63.200 -0.135 0.000 0.836 141 S HN 0.187 nan 8.310 nan 0.000 0.504 142 R N 1.653 122.124 120.500 -0.048 0.000 2.410 142 R HA 0.589 4.929 4.340 -0.000 0.000 0.288 142 R C -0.449 175.833 176.300 -0.029 0.000 1.051 142 R CA -0.189 55.894 56.100 -0.029 0.000 1.021 142 R CB 0.542 30.832 30.300 -0.016 0.000 1.032 142 R HN 0.546 nan 8.270 nan 0.000 0.481 143 I N 1.572 122.137 120.570 -0.008 0.000 2.656 143 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 143 I C -0.405 175.736 176.117 0.039 0.000 1.144 143 I CA -0.907 60.400 61.300 0.012 0.000 1.038 143 I CB 2.636 40.648 38.000 0.020 0.000 1.244 143 I HN 0.417 nan 8.210 nan 0.000 0.420 144 R N 5.165 125.691 120.500 0.044 0.000 2.229 144 R HA 0.708 5.048 4.340 -0.000 0.000 0.328 144 R C -1.629 174.705 176.300 0.058 0.000 1.009 144 R CA -0.276 55.853 56.100 0.050 0.000 0.864 144 R CB 1.036 31.366 30.300 0.050 0.000 1.085 144 R HN 0.490 nan 8.270 nan 0.000 0.453 145 V N 4.038 123.987 119.914 0.058 0.000 2.864 145 V HA 0.385 4.505 4.120 -0.000 0.000 0.314 145 V C -0.508 175.612 176.094 0.043 0.000 1.073 145 V CA -0.974 61.355 62.300 0.049 0.000 0.956 145 V CB 1.910 33.763 31.823 0.050 0.000 1.023 145 V HN 0.710 nan 8.190 nan 0.000 0.435 146 K N 3.391 123.808 120.400 0.028 0.000 2.316 146 K HA 0.535 4.855 4.320 -0.000 0.000 0.267 146 K C -0.829 175.785 176.600 0.024 0.000 1.025 146 K CA -0.544 55.761 56.287 0.031 0.000 0.896 146 K CB 0.828 33.344 32.500 0.026 0.000 1.124 146 K HN 0.660 nan 8.250 nan 0.000 0.451 147 I N 5.005 125.599 120.570 0.040 0.000 2.505 147 I HA -0.057 4.113 4.170 -0.000 0.000 0.287 147 I C 1.282 177.420 176.117 0.035 0.000 1.104 147 I CA 0.026 61.350 61.300 0.039 0.000 1.387 147 I CB 0.835 38.869 38.000 0.056 0.000 1.404 147 I HN 0.698 nan 8.210 nan 0.000 0.528 148 E N 4.729 124.941 120.200 0.019 0.000 2.190 148 E HA 0.158 4.508 4.350 -0.000 0.000 0.191 148 E C 0.821 177.434 176.600 0.021 0.000 0.978 148 E CA 0.204 56.614 56.400 0.016 0.000 0.839 148 E CB 0.556 30.255 29.700 -0.001 0.000 0.787 148 E HN 0.826 nan 8.360 nan 0.000 0.473 149 G N -0.142 108.672 108.800 0.022 0.000 2.655 149 G HA2 0.374 4.334 3.960 -0.000 0.000 0.296 149 G HA3 0.374 4.334 3.960 -0.000 0.000 0.296 149 G C -1.134 173.775 174.900 0.016 0.000 1.485 149 G CA -0.687 44.423 45.100 0.017 0.000 0.869 149 G HN 0.061 nan 8.290 nan 0.000 0.540 150 C N 0.461 119.759 119.300 -0.003 0.000 2.493 150 C HA 0.782 5.242 4.460 -0.000 0.000 0.326 150 C C -0.275 174.706 174.990 -0.015 0.000 1.200 150 C CA -0.695 58.316 59.018 -0.011 0.000 1.739 150 C CB 0.684 28.385 27.740 -0.065 0.000 2.300 150 C HN 0.604 nan 8.230 nan 0.000 0.500 151 I N 2.200 122.774 120.570 0.007 0.000 2.437 151 I HA 0.225 4.395 4.170 -0.000 0.000 0.279 151 I C 0.365 176.485 176.117 0.005 0.000 1.028 151 I CA 0.449 61.748 61.300 -0.002 0.000 1.142 151 I CB 1.014 39.013 38.000 -0.002 0.000 1.266 151 I HN 0.618 nan 8.210 nan 0.000 0.461 152 S N 5.690 121.374 115.700 -0.026 0.000 2.562 152 S HA 0.393 4.863 4.470 -0.000 0.000 0.281 152 S C -0.180 174.408 174.600 -0.019 0.000 1.333 152 S CA -0.352 57.829 58.200 -0.032 0.000 1.052 152 S CB 0.567 63.729 63.200 -0.064 0.000 0.884 152 S HN 0.646 nan 8.310 nan 0.000 0.506 153 Q N 2.501 122.293 119.800 -0.014 0.000 2.429 153 Q HA 0.388 4.728 4.340 -0.000 0.000 0.247 153 Q C -0.021 175.965 176.000 -0.023 0.000 0.915 153 Q CA -0.559 55.236 55.803 -0.012 0.000 0.971 153 Q CB 0.599 29.342 28.738 0.009 0.000 1.468 153 Q HN 0.495 nan 8.270 nan 0.000 0.439 154 V N 1.849 121.744 119.914 -0.031 0.000 0.687 154 V HA -0.469 3.651 4.120 -0.000 0.000 0.092 154 V C 1.162 177.218 176.094 -0.063 0.000 0.835 154 V CA 2.457 64.735 62.300 -0.037 0.000 3.109 154 V CB -2.192 29.616 31.823 -0.025 0.000 0.223 154 V HN 1.134 nan 8.190 nan 0.000 0.153 155 S N 1.171 116.830 115.700 -0.068 0.000 2.660 155 S HA 0.558 5.028 4.470 -0.000 0.000 0.227 155 S C 0.180 174.661 174.600 -0.197 0.000 0.948 155 S CA 0.569 58.699 58.200 -0.117 0.000 0.948 155 S CB 0.001 63.157 63.200 -0.075 0.000 0.779 155 S HN 2.111 nan 8.310 nan 0.000 0.487 156 S N 0.200 115.813 115.700 -0.145 0.000 2.724 156 S HA 0.707 5.177 4.470 -0.000 0.000 0.278 156 S C -1.509 173.117 174.600 0.042 0.000 1.190 156 S CA -1.108 57.028 58.200 -0.106 0.000 0.860 156 S CB 0.504 63.745 63.200 0.068 0.000 1.206 156 S HN 0.252 nan 8.310 nan 0.000 0.507 157 I N 1.254 121.961 120.570 0.228 0.000 2.500 157 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 157 I C -0.710 175.475 176.117 0.114 0.000 1.063 157 I CA -0.304 61.081 61.300 0.142 0.000 1.062 157 I CB 1.822 39.892 38.000 0.116 0.000 1.223 157 I HN 0.818 nan 8.210 nan 0.000 0.435 158 H N 4.601 123.689 119.070 0.031 0.000 2.615 158 H HA 0.894 5.450 4.556 -0.000 0.000 0.346 158 H C -0.599 174.733 175.328 0.006 0.000 1.200 158 H CA -0.423 55.642 56.048 0.027 0.000 1.264 158 H CB 1.899 31.673 29.762 0.020 0.000 1.699 158 H HN 0.722 nan 8.280 nan 0.000 0.567 159 A N 2.197 125.278 122.820 0.436 0.000 2.601 159 A HA 0.486 4.806 4.320 -0.000 0.000 0.291 159 A C -1.679 176.042 177.584 0.229 0.000 1.075 159 A CA -0.631 51.533 52.037 0.212 0.000 0.671 159 A CB 1.082 20.137 19.000 0.091 0.000 1.277 159 A HN 0.580 nan 8.150 nan 0.000 0.417 160 I N 0.480 121.118 120.570 0.113 0.000 2.530 160 I HA 0.694 4.864 4.170 -0.000 0.000 0.297 160 I C 0.573 176.698 176.117 0.014 0.000 1.011 160 I CA -0.542 60.804 61.300 0.077 0.000 1.107 160 I CB 2.339 40.372 38.000 0.055 0.000 1.285 160 I HN 0.898 nan 8.210 nan 0.000 0.436 161 G N 2.524 111.294 108.800 -0.051 0.000 2.695 161 G HA2 0.656 4.616 3.960 -0.000 0.000 0.290 161 G HA3 0.656 4.616 3.960 -0.000 0.000 0.290 161 G C -1.334 173.483 174.900 -0.139 0.000 1.410 161 G CA -0.436 44.627 45.100 -0.062 0.000 0.844 161 G HN 0.636 nan 8.290 nan 0.000 0.478 162 S N -1.512 114.130 115.700 -0.097 0.000 2.677 162 S HA 0.733 5.203 4.470 -0.000 0.000 0.304 162 S C 0.132 174.689 174.600 -0.071 0.000 1.108 162 S CA -0.634 57.493 58.200 -0.121 0.000 0.944 162 S CB 1.657 64.806 63.200 -0.085 0.000 1.127 162 S HN 1.340 nan 8.310 nan 0.000 0.511 163 I N -2.270 118.259 120.570 -0.068 0.000 3.171 163 I HA 0.523 4.693 4.170 -0.000 0.000 0.329 163 I C 0.446 176.557 176.117 -0.011 0.000 1.522 163 I CA -0.527 60.765 61.300 -0.014 0.000 0.948 163 I CB 0.224 38.236 38.000 0.021 0.000 1.527 163 I HN 0.652 nan 8.210 nan 0.000 0.547 164 K N 1.040 121.429 120.400 -0.018 0.000 2.354 164 K HA 0.236 4.556 4.320 -0.000 0.000 0.194 164 K C 0.783 177.386 176.600 0.004 0.000 1.038 164 K CA 0.048 56.330 56.287 -0.009 0.000 1.052 164 K CB 0.603 33.093 32.500 -0.016 0.000 0.861 164 K HN 0.369 nan 8.250 nan 0.000 0.535 165 E N 1.142 121.351 120.200 0.014 0.000 2.855 165 E HA 0.025 4.375 4.350 -0.000 0.000 0.259 165 E C -0.375 176.246 176.600 0.035 0.000 1.390 165 E CA -0.067 56.352 56.400 0.031 0.000 1.069 165 E CB 0.288 30.015 29.700 0.046 0.000 1.172 165 E HN 0.144 nan 8.360 nan 0.000 0.668 166 D N -0.926 119.512 120.400 0.063 0.000 2.387 166 D HA 0.105 4.745 4.640 -0.000 0.000 0.251 166 D C -0.047 176.344 176.300 0.151 0.000 1.141 166 D CA -0.262 53.752 54.000 0.024 0.000 0.987 166 D CB 0.321 41.115 40.800 -0.009 0.000 1.116 166 D HN 0.403 nan 8.370 nan 0.000 0.491 167 Y N -1.526 118.778 120.300 0.007 0.000 4.236 167 Y HA -0.260 4.290 4.550 -0.000 0.000 0.220 167 Y C 0.073 175.978 175.900 0.009 0.000 1.115 167 Y CA 0.189 58.293 58.100 0.007 0.000 1.811 167 Y CB -1.603 36.861 38.460 0.006 0.000 1.581 167 Y HN 0.208 nan 8.280 nan 0.000 0.643 168 L N -0.759 120.527 121.223 0.104 0.000 2.362 168 L HA 0.864 5.204 4.340 -0.000 0.000 0.271 168 L C 0.681 177.578 176.870 0.044 0.000 1.002 168 L CA 0.226 55.110 54.840 0.073 0.000 0.818 168 L CB 2.136 44.232 42.059 0.062 0.000 1.298 168 L HN 0.289 nan 8.230 nan 0.000 0.420 169 G N 1.449 110.277 108.800 0.046 0.000 2.260 169 G HA2 0.263 4.223 3.960 -0.000 0.000 0.250 169 G HA3 0.263 4.223 3.960 -0.000 0.000 0.250 169 G C -1.250 173.667 174.900 0.029 0.000 1.340 169 G CA -0.238 44.886 45.100 0.040 0.000 1.056 169 G HN 0.857 nan 8.290 nan 0.000 0.471 170 A N -0.298 122.529 122.820 0.011 0.000 2.366 170 A HA 0.828 5.148 4.320 -0.000 0.000 0.249 170 A C 0.573 178.159 177.584 0.003 0.000 1.084 170 A CA 0.734 52.766 52.037 -0.007 0.000 0.794 170 A CB -0.238 18.749 19.000 -0.022 0.000 1.034 170 A HN 1.888 nan 8.150 nan 0.000 0.491 171 I N 0.000 120.569 120.570 -0.002 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.303 61.300 0.005 0.000 1.566 171 I CB 0.000 38.008 38.000 0.013 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494